NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408019 |
1ykg   |
4985 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ykg
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 885
_Distance_constraint_stats_list.Viol_count 962
_Distance_constraint_stats_list.Viol_total 2569.214
_Distance_constraint_stats_list.Viol_max 0.976
_Distance_constraint_stats_list.Viol_rms 0.0640
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.1780
_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 12 ILE 4.630 0.870 10 4 "[ . * + -*.]"
1 13 THR 0.000 0.000 . 0 "[ . 1 .]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 15 ILE 0.893 0.142 11 0 "[ . 1 .]"
1 16 SER 0.000 0.000 . 0 "[ . 1 .]"
1 17 ALA 0.048 0.024 7 0 "[ . 1 .]"
1 18 SER 0.000 0.000 . 0 "[ . 1 .]"
1 19 GLN 1.570 0.151 13 0 "[ . 1 .]"
1 20 THR 0.000 0.000 . 0 "[ . 1 .]"
1 21 GLY 1.570 0.151 13 0 "[ . 1 .]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 24 ARG 0.062 0.030 9 0 "[ . 1 .]"
1 25 ARG 0.710 0.710 11 1 "[ . 1+ .]"
1 26 VAL 0.379 0.085 6 0 "[ . 1 .]"
1 27 ALA 0.062 0.030 9 0 "[ . 1 .]"
1 28 GLU 1.369 0.342 12 0 "[ . 1 .]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 30 LEU 1.433 0.567 13 1 "[ . 1 + .]"
1 31 ARG 1.433 0.567 13 1 "[ . 1 + .]"
1 32 ASP 5.955 0.427 5 0 "[ . 1 .]"
1 33 ASP 0.634 0.427 5 0 "[ . 1 .]"
1 34 LEU 3.841 0.303 8 0 "[ . 1 .]"
1 35 LEU 4.659 0.728 6 5 "[ * *+ 1 - *.]"
1 36 ALA 6.130 0.728 6 5 "[ * *+ 1 - *.]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 38 LYS 2.332 0.350 1 0 "[ . 1 .]"
1 39 LEU 2.493 0.428 1 0 "[ . 1 .]"
1 40 ASN 0.469 0.247 15 0 "[ . 1 .]"
1 41 VAL 4.625 0.359 11 0 "[ . 1 .]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 43 LEU 2.826 0.181 8 0 "[ . 1 .]"
1 44 VAL 1.832 0.307 6 0 "[ . 1 .]"
1 45 ASN 1.710 0.589 8 1 "[ . + 1 .]"
1 46 ALA 0.569 0.201 10 0 "[ . 1 .]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 48 ASP 0.360 0.266 1 0 "[ . 1 .]"
1 49 TYR 0.360 0.266 1 0 "[ . 1 .]"
1 50 LYS 0.169 0.089 1 0 "[ . 1 .]"
1 51 PHE 1.916 0.245 4 0 "[ . 1 .]"
1 52 LYS 1.331 0.181 14 0 "[ . 1 .]"
1 53 GLN 6.526 0.658 11 3 "[ . * -+ .]"
1 54 ILE 1.168 0.134 6 0 "[ . 1 .]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 56 SER 0.354 0.229 6 0 "[ . 1 .]"
1 57 GLU 1.104 0.262 6 0 "[ . 1 .]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 59 LEU 1.476 0.157 6 0 "[ . 1 .]"
1 60 LEU 1.447 0.297 2 0 "[ . 1 .]"
1 61 ILE 2.556 0.280 7 0 "[ . 1 .]"
1 62 VAL 3.480 0.280 7 0 "[ . 1 .]"
1 63 VAL 2.783 0.332 11 0 "[ . 1 .]"
1 64 THR 3.244 0.264 15 0 "[ . 1 .]"
1 65 SER 1.002 0.198 4 0 "[ . 1 .]"
1 66 THR 0.498 0.109 3 0 "[ . 1 .]"
1 67 GLN 0.470 0.153 15 0 "[ . 1 .]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 69 GLU 0.357 0.306 2 0 "[ . 1 .]"
1 70 GLY 0.357 0.306 2 0 "[ . 1 .]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 73 PRO 1.633 0.264 15 0 "[ . 1 .]"
1 74 GLU 0.971 0.396 11 0 "[ . 1 .]"
1 75 GLU 0.149 0.149 4 0 "[ . 1 .]"
1 76 ALA 2.782 0.964 11 3 "[ . * -1+ .]"
1 77 VAL 8.639 0.964 11 4 "[ . * -1+ * .]"
1 78 ALA 2.267 0.677 7 3 "[ . + -1* .]"
1 79 LEU 0.485 0.149 2 0 "[ . 1 .]"
1 80 HIS 13.662 0.370 5 0 "[ . 1 .]"
1 81 LYS 2.222 0.658 12 1 "[ . 1 + .]"
1 82 PHE 6.303 0.853 15 2 "[ . 1 - +]"
1 83 LEU 4.766 0.456 12 0 "[ . 1 .]"
1 84 PHE 2.449 0.703 14 2 "[ . - 1 +.]"
1 85 SER 3.105 0.703 14 2 "[ . - 1 +.]"
1 86 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 87 LYS 1.144 0.853 15 1 "[ . 1 +]"
1 88 ALA 2.474 0.466 15 0 "[ . 1 .]"
1 89 PRO 0.247 0.174 10 0 "[ . 1 .]"
1 90 LYS 0.865 0.546 13 1 "[ . 1 + .]"
1 91 LEU 3.524 0.574 13 1 "[ . 1 + .]"
1 92 GLU 5.843 0.765 5 4 "[ - *+ * 1 .]"
1 93 ASN 2.479 0.455 4 0 "[ . 1 .]"
1 94 THR 0.069 0.050 3 0 "[ . 1 .]"
1 95 ALA 0.814 0.278 7 0 "[ . 1 .]"
1 96 PHE 8.331 0.588 11 2 "[ . -1+ .]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 98 VAL 1.372 0.806 10 1 "[ . + .]"
1 99 PHE 8.139 0.943 11 2 "[- . 1+ .]"
1 100 SER 2.668 0.637 11 2 "[ . 1+ -.]"
1 101 LEU 0.724 0.199 10 0 "[ . 1 .]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 104 THR 0.939 0.232 8 0 "[ . 1 .]"
1 105 SER 0.000 0.000 . 0 "[ . 1 .]"
1 106 TYR 3.010 0.323 11 0 "[ . 1 .]"
1 107 GLU 3.906 0.323 11 0 "[ . 1 .]"
1 108 PHE 1.676 0.263 11 0 "[ . 1 .]"
1 109 PHE 2.150 0.263 11 0 "[ . 1 .]"
1 110 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 111 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 112 SER 0.000 0.000 . 0 "[ . 1 .]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 114 LYS 2.215 0.484 8 0 "[ . 1 .]"
1 115 ASP 5.459 0.297 14 0 "[ . 1 .]"
1 116 PHE 3.046 0.314 5 0 "[ . 1 .]"
1 117 ASP 0.251 0.068 3 0 "[ . 1 .]"
1 118 SER 0.000 0.000 . 0 "[ . 1 .]"
1 119 LYS 0.170 0.095 14 0 "[ . 1 .]"
1 120 LEU 6.524 0.588 11 3 "[ . * -1+ .]"
1 121 ALA 1.835 0.193 4 0 "[ . 1 .]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 123 LEU 1.043 0.574 13 1 "[ . 1 + .]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 125 GLY 2.953 0.214 14 0 "[ . 1 .]"
1 126 GLU 5.044 0.438 11 0 "[ . 1 .]"
1 127 ARG 3.436 0.441 6 0 "[ . 1 .]"
1 128 LEU 4.407 0.513 9 1 "[ . +1 .]"
1 129 LEU 1.619 0.353 12 0 "[ . 1 .]"
1 130 ASP 0.237 0.237 4 0 "[ . 1 .]"
1 131 ARG 4.451 0.806 10 1 "[ . + .]"
1 132 VAL 5.562 0.943 11 2 "[ . 1+ -.]"
1 133 ASP 0.027 0.027 14 0 "[ . 1 .]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 135 ASP 0.425 0.215 2 0 "[ . 1 .]"
1 136 VAL 0.786 0.210 2 0 "[ . 1 .]"
1 137 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 138 TYR 3.868 0.703 1 1 "[+ . 1 .]"
1 139 GLN 4.502 0.769 13 4 "[ *- . *1 + .]"
1 140 ALA 0.057 0.047 5 0 "[ . 1 .]"
1 141 ALA 3.496 0.378 10 0 "[ . 1 .]"
1 142 ALA 0.107 0.042 4 0 "[ . 1 .]"
1 143 SER 0.057 0.047 5 0 "[ . 1 .]"
1 144 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 145 TRP 6.014 0.452 11 0 "[ . 1 .]"
1 146 ARG 2.011 0.225 9 0 "[ . 1 .]"
1 147 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 148 ARG 1.107 0.256 4 0 "[ . 1 .]"
1 149 VAL 0.241 0.042 4 0 "[ . 1 .]"
1 150 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 151 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 152 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 153 LEU 6.980 0.743 7 2 "[ -. + 1 .]"
1 154 LYS 3.387 0.743 7 3 "[ -. + 1 *]"
1 155 SER 0.000 0.000 . 0 "[ . 1 .]"
1 156 ARG 2.065 0.976 9 1 "[ . +1 .]"
1 157 ALA 1.946 0.272 14 0 "[ . 1 .]"
2 1 FMN 0.403 0.153 15 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 12 ILE H 1 12 ILE HB 2.480 . 3.100 2.663 2.469 2.823 . 0 0 "[ . 1 .]" 1
2 1 12 ILE H 1 12 ILE HG12 2.553 . 3.192 2.999 2.145 4.062 0.870 10 4 "[ . * + -*.]" 1
3 1 12 ILE H 1 12 ILE MG 2.866 . 4.703 3.845 3.802 3.896 . 0 0 "[ . 1 .]" 1
4 1 12 ILE HA 1 13 THR H 2.171 . 2.713 2.250 2.195 2.311 . 0 0 "[ . 1 .]" 1
5 1 12 ILE MG 1 13 THR H 2.152 . 3.630 2.533 2.267 2.748 . 0 0 "[ . 1 .]" 1
6 1 13 THR H 1 13 THR HB 2.743 . 3.429 2.375 2.282 2.464 . 0 0 "[ . 1 .]" 1
7 1 14 ILE H 1 14 ILE HB 2.374 . 2.967 2.646 2.509 2.805 . 0 0 "[ . 1 .]" 1
8 1 14 ILE H 1 14 ILE QG 2.520 . 4.235 2.743 2.368 3.482 . 0 0 "[ . 1 .]" 1
9 1 15 ILE H 1 15 ILE HG13 3.506 . 4.383 2.518 2.385 2.805 . 0 0 "[ . 1 .]" 1
10 1 15 ILE H 1 15 ILE HG12 2.611 . 3.264 3.226 2.851 3.406 0.142 11 0 "[ . 1 .]" 1
11 1 15 ILE H 1 15 ILE MG 3.607 . 5.815 3.933 3.840 3.960 . 0 0 "[ . 1 .]" 1
12 1 17 ALA H 1 17 ALA MB 2.402 . 4.006 2.523 2.446 2.631 . 0 0 "[ . 1 .]" 1
13 1 17 ALA MB 1 18 SER H 2.429 . 4.046 3.424 3.357 3.467 . 0 0 "[ . 1 .]" 1
14 1 17 ALA HA 1 18 SER H 2.240 . 2.801 2.112 2.063 2.182 . 0 0 "[ . 1 .]" 1
15 1 18 SER H 1 18 SER QB 2.887 . 4.751 2.584 2.473 2.703 . 0 0 "[ . 1 .]" 1
16 1 18 SER HA 1 19 GLN H 2.961 . 3.701 2.270 2.221 2.319 . 0 0 "[ . 1 .]" 1
17 1 19 GLN H 1 19 GLN HB3 3.234 . 4.042 2.408 2.263 3.029 . 0 0 "[ . 1 .]" 1
18 1 20 THR H 1 20 THR MG 2.806 . 4.613 2.152 2.097 2.196 . 0 0 "[ . 1 .]" 1
19 1 20 THR H 1 21 GLY H 3.024 . 3.780 2.853 2.800 2.899 . 0 0 "[ . 1 .]" 1
20 1 22 ASN H 1 22 ASN HB3 3.080 . 3.849 3.627 3.588 3.693 . 0 0 "[ . 1 .]" 1
21 1 22 ASN H 1 22 ASN HB2 2.836 . 3.544 2.463 2.392 2.559 . 0 0 "[ . 1 .]" 1
22 1 22 ASN H 1 22 ASN HD21 4.306 . 5.382 2.594 2.168 3.414 . 0 0 "[ . 1 .]" 1
23 1 21 GLY H 1 22 ASN H 2.846 . 3.557 1.664 1.621 1.695 . 0 0 "[ . 1 .]" 1
24 1 22 ASN HB2 1 23 ALA H 3.212 . 4.015 2.781 2.543 2.964 . 0 0 "[ . 1 .]" 1
25 1 23 ALA H 1 23 ALA MB 2.744 . 4.519 2.314 2.180 2.427 . 0 0 "[ . 1 .]" 1
26 1 22 ASN H 1 23 ALA H 3.274 . 4.093 2.731 2.666 2.799 . 0 0 "[ . 1 .]" 1
27 1 23 ALA H 1 24 ARG H 3.431 . 4.288 2.689 2.617 2.730 . 0 0 "[ . 1 .]" 1
28 1 23 ALA MB 1 24 ARG H 3.031 . 4.950 2.968 2.820 3.085 . 0 0 "[ . 1 .]" 1
29 1 24 ARG H 1 24 ARG QB 2.442 . 4.126 2.198 2.020 2.290 . 0 0 "[ . 1 .]" 1
30 1 24 ARG H 1 24 ARG QG 3.451 . 5.542 3.493 2.343 4.025 . 0 0 "[ . 1 .]" 1
31 1 25 ARG H 1 25 ARG HB2 2.402 . 3.003 2.484 2.180 3.713 0.710 11 1 "[ . 1+ .]" 1
32 1 25 ARG H 1 25 ARG QD 4.459 . 6.957 4.200 3.551 4.906 . 0 0 "[ . 1 .]" 1
33 1 24 ARG H 1 25 ARG H 2.885 . 3.606 2.691 2.644 2.772 . 0 0 "[ . 1 .]" 1
34 1 26 VAL H 1 26 VAL QG 2.151 . 3.629 2.061 1.874 2.266 . 0 0 "[ . 1 .]" 1
35 1 26 VAL QG 1 27 ALA H 3.032 . 4.952 2.764 2.309 3.198 . 0 0 "[ . 1 .]" 1
36 1 27 ALA H 1 27 ALA MB 2.182 . 3.676 2.210 2.164 2.247 . 0 0 "[ . 1 .]" 1
37 1 26 VAL H 1 27 ALA H 2.644 . 3.305 2.593 2.559 2.650 . 0 0 "[ . 1 .]" 1
38 1 27 ALA MB 1 28 GLU H 2.306 . 3.862 2.605 2.506 2.683 . 0 0 "[ . 1 .]" 1
39 1 28 GLU H 1 28 GLU HG2 2.704 . 3.380 2.970 2.074 3.722 0.342 12 0 "[ . 1 .]" 1
40 1 27 ALA H 1 28 GLU H 2.486 . 3.107 2.742 2.704 2.777 . 0 0 "[ . 1 .]" 1
41 1 28 GLU H 1 29 ALA H 2.632 . 3.290 2.726 2.682 2.763 . 0 0 "[ . 1 .]" 1
42 1 29 ALA H 1 29 ALA MB 2.068 . 3.505 2.228 2.189 2.247 . 0 0 "[ . 1 .]" 1
43 1 30 LEU H 1 30 LEU QB 2.380 . 4.039 2.154 2.075 2.275 . 0 0 "[ . 1 .]" 1
44 1 29 ALA H 1 30 LEU H 2.564 . 3.205 2.578 2.503 2.623 . 0 0 "[ . 1 .]" 1
45 1 30 LEU QB 1 31 ARG H 2.714 . 4.507 2.412 2.242 2.702 . 0 0 "[ . 1 .]" 1
46 1 30 LEU H 1 31 ARG H 2.749 . 3.436 2.685 2.653 2.728 . 0 0 "[ . 1 .]" 1
47 1 31 ARG H 1 32 ASP H 3.188 . 3.985 2.610 2.496 2.774 . 0 0 "[ . 1 .]" 1
48 1 32 ASP H 1 32 ASP HB3 2.656 . 3.320 2.556 2.349 3.535 0.215 11 0 "[ . 1 .]" 1
49 1 32 ASP H 1 32 ASP HB2 2.637 . 3.296 2.619 2.326 2.758 . 0 0 "[ . 1 .]" 1
50 1 33 ASP H 1 33 ASP HB3 2.561 . 3.201 2.749 2.487 3.407 0.206 9 0 "[ . 1 .]" 1
51 1 34 LEU H 1 34 LEU HG 2.934 . 4.668 2.721 2.181 4.188 . 0 0 "[ . 1 .]" 1
52 1 34 LEU HG 1 35 LEU H 3.145 . 5.931 4.610 4.108 5.282 . 0 0 "[ . 1 .]" 1
53 1 35 LEU H 1 35 LEU QD 2.315 . 5.674 3.541 3.180 3.809 . 0 0 "[ . 1 .]" 1
54 1 34 LEU H 1 35 LEU H 2.486 . 3.107 2.528 2.449 2.596 . 0 0 "[ . 1 .]" 1
55 1 35 LEU H 1 36 ALA H 2.632 . 3.290 2.576 2.474 2.665 . 0 0 "[ . 1 .]" 1
56 1 35 LEU HB2 1 36 ALA H 2.561 . 3.201 3.306 2.508 3.929 0.728 6 5 "[ * *+ 1 - *.]" 1
57 1 35 LEU QD 1 36 ALA H 2.927 . 6.777 3.747 3.080 4.158 . 0 0 "[ . 1 .]" 1
58 1 36 ALA MB 1 37 ALA H 2.343 . 3.917 2.857 2.798 3.000 . 0 0 "[ . 1 .]" 1
59 1 37 ALA H 1 37 ALA MB 1.983 . 3.377 2.265 2.182 2.331 . 0 0 "[ . 1 .]" 1
60 1 36 ALA H 1 37 ALA H 2.587 . 3.234 2.727 2.702 2.824 . 0 0 "[ . 1 .]" 1
61 1 38 LYS H 1 38 LYS HA 2.107 . 2.634 2.314 2.134 2.984 0.350 1 0 "[ . 1 .]" 1
62 1 38 LYS H 1 38 LYS QD 3.908 . 6.183 4.624 2.473 5.354 . 0 0 "[ . 1 .]" 1
63 1 37 ALA H 1 38 LYS H 2.510 . 3.138 2.553 2.213 2.732 . 0 0 "[ . 1 .]" 1
64 1 38 LYS H 1 39 LEU H 2.523 . 3.154 2.628 2.494 3.348 0.194 11 0 "[ . 1 .]" 1
65 1 39 LEU H 1 39 LEU QD 2.391 . 5.811 3.300 2.752 3.868 . 0 0 "[ . 1 .]" 1
66 1 39 LEU QD 1 40 ASN H 2.353 . 5.742 3.598 2.702 4.395 . 0 0 "[ . 1 .]" 1
67 1 40 ASN HA 1 41 VAL H 2.068 . 2.585 2.323 2.141 2.832 0.247 15 0 "[ . 1 .]" 1
68 1 41 VAL H 1 41 VAL HB 2.649 . 3.311 3.136 2.650 3.670 0.359 11 0 "[ . 1 .]" 1
69 1 41 VAL H 1 41 VAL MG1 3.215 . 5.227 2.493 2.001 3.929 . 0 0 "[ . 1 .]" 1
70 1 41 VAL H 1 41 VAL MG2 2.091 . 3.539 3.151 1.933 3.853 0.314 13 0 "[ . 1 .]" 1
71 1 41 VAL HA 1 42 LYS H 2.112 . 2.640 2.192 2.141 2.256 . 0 0 "[ . 1 .]" 1
72 1 42 LYS H 1 42 LYS QG 2.726 . 4.524 3.122 2.792 4.032 . 0 0 "[ . 1 .]" 1
73 1 42 LYS HA 1 43 LEU H 2.002 . 2.502 2.226 2.158 2.309 . 0 0 "[ . 1 .]" 1
74 1 43 LEU H 1 43 LEU HA 2.298 . 2.872 2.969 2.962 2.996 0.124 11 0 "[ . 1 .]" 1
75 1 43 LEU H 1 43 LEU HB3 2.256 . 2.821 2.496 2.381 2.682 . 0 0 "[ . 1 .]" 1
76 1 43 LEU H 1 43 LEU HB2 2.463 . 3.079 2.980 2.867 3.150 0.071 15 0 "[ . 1 .]" 1
77 1 43 LEU H 1 43 LEU QD 2.216 . 5.495 3.869 3.728 3.940 . 0 0 "[ . 1 .]" 1
78 1 43 LEU HA 1 44 VAL H 2.198 . 2.747 2.228 2.171 2.296 . 0 0 "[ . 1 .]" 1
79 1 43 LEU QD 1 44 VAL H 2.105 . 5.295 2.842 2.259 3.273 . 0 0 "[ . 1 .]" 1
80 1 43 LEU HG 1 44 VAL H 2.579 . 3.224 3.302 3.156 3.405 0.181 8 0 "[ . 1 .]" 1
81 1 44 VAL HA 1 45 ASN H 2.041 . 2.551 2.161 2.133 2.190 . 0 0 "[ . 1 .]" 1
82 1 44 VAL HB 1 45 ASN H 2.970 . 3.712 2.837 2.604 4.019 0.307 6 0 "[ . 1 .]" 1
83 1 44 VAL MG1 1 45 ASN H 2.533 . 4.202 3.532 2.270 3.755 . 0 0 "[ . 1 .]" 1
84 1 44 VAL MG2 1 45 ASN H 2.702 . 4.456 3.597 2.327 3.814 . 0 0 "[ . 1 .]" 1
85 1 45 ASN H 1 45 ASN HB3 2.417 . 3.021 2.573 2.286 3.610 0.589 8 1 "[ . + 1 .]" 1
86 1 45 ASN H 1 45 ASN HB2 2.855 . 3.569 2.783 2.479 2.919 . 0 0 "[ . 1 .]" 1
87 1 45 ASN HA 1 46 ALA H 2.398 . 2.997 2.295 2.251 2.329 . 0 0 "[ . 1 .]" 1
88 1 45 ASN HB3 1 46 ALA H 3.274 . 4.093 4.059 3.256 4.294 0.201 10 0 "[ . 1 .]" 1
89 1 46 ALA H 1 46 ALA MB 2.242 . 3.765 2.196 2.157 2.236 . 0 0 "[ . 1 .]" 1
90 1 46 ALA MB 1 47 GLY H 2.855 . 4.686 3.000 2.787 3.149 . 0 0 "[ . 1 .]" 1
91 1 47 GLY H 1 48 ASP H 3.067 . 3.833 2.540 2.260 2.693 . 0 0 "[ . 1 .]" 1
92 1 48 ASP H 1 48 ASP HB3 2.393 . 2.992 2.411 2.294 2.600 . 0 0 "[ . 1 .]" 1
93 1 48 ASP H 1 48 ASP HB2 2.466 . 3.082 2.837 2.754 3.075 . 0 0 "[ . 1 .]" 1
94 1 48 ASP H 1 49 TYR H 2.353 . 2.941 2.207 2.062 3.207 0.266 1 0 "[ . 1 .]" 1
95 1 49 TYR HA 1 50 LYS H 2.337 . 2.922 1.988 1.927 2.183 . 0 0 "[ . 1 .]" 1
96 1 50 LYS H 1 51 PHE H 2.812 . 3.515 2.610 2.355 3.604 0.089 1 0 "[ . 1 .]" 1
97 1 51 PHE H 1 51 PHE HB3 2.955 . 3.693 3.173 2.718 3.335 . 0 0 "[ . 1 .]" 1
98 1 51 PHE H 1 51 PHE HB2 3.312 . 4.140 4.019 3.624 4.192 0.052 14 0 "[ . 1 .]" 1
99 1 52 LYS H 1 52 LYS QG 2.246 . 3.852 2.277 1.911 3.511 . 0 0 "[ . 1 .]" 1
100 1 51 PHE H 1 52 LYS H 3.493 . 4.367 2.892 2.744 3.241 . 0 0 "[ . 1 .]" 1
101 1 52 LYS HB2 1 53 GLN H 3.321 . 4.151 3.547 3.055 4.243 0.092 5 0 "[ . 1 .]" 1
102 1 53 GLN H 1 53 GLN HB3 2.317 . 2.896 3.155 2.974 3.554 0.658 11 3 "[ . * -+ .]" 1
103 1 52 LYS H 1 53 GLN H 2.684 . 3.355 2.456 2.349 2.507 . 0 0 "[ . 1 .]" 1
104 1 54 ILE H 1 54 ILE MD 3.054 . 4.985 4.034 3.789 4.131 . 0 0 "[ . 1 .]" 1
105 1 54 ILE MG 1 55 ALA H 2.359 . 3.941 2.478 2.362 2.570 . 0 0 "[ . 1 .]" 1
106 1 54 ILE H 1 55 ALA H 3.087 . 3.859 2.953 2.904 3.013 . 0 0 "[ . 1 .]" 1
107 1 55 ALA MB 1 56 SER H 2.833 . 4.653 2.793 2.371 3.370 . 0 0 "[ . 1 .]" 1
108 1 56 SER H 1 57 GLU H 2.553 . 3.192 2.363 1.907 2.635 . 0 0 "[ . 1 .]" 1
109 1 57 GLU H 1 57 GLU HG3 3.048 . 3.810 3.455 2.273 3.825 0.015 7 0 "[ . 1 .]" 1
110 1 57 GLU H 1 57 GLU HG2 2.575 . 3.219 2.427 2.094 3.481 0.262 6 0 "[ . 1 .]" 1
111 1 58 LYS H 1 59 LEU H 2.455 . 3.069 2.132 2.047 2.211 . 0 0 "[ . 1 .]" 1
112 1 59 LEU H 1 59 LEU QD 2.529 . 6.060 3.676 3.643 3.732 . 0 0 "[ . 1 .]" 1
113 1 59 LEU H 1 59 LEU HG 2.611 . 3.264 3.294 3.223 3.396 0.132 4 0 "[ . 1 .]" 1
114 1 59 LEU H 1 60 LEU H 3.266 . 4.083 3.956 3.901 4.037 . 0 0 "[ . 1 .]" 1
115 1 60 LEU H 1 60 LEU QB 2.424 . 3.030 2.282 2.106 3.041 0.011 15 0 "[ . 1 .]" 1
116 1 61 ILE H 1 61 ILE HB 2.595 . 3.243 2.470 2.326 2.646 . 0 0 "[ . 1 .]" 1
117 1 61 ILE HA 1 62 VAL H 2.173 . 2.716 2.115 2.043 2.167 . 0 0 "[ . 1 .]" 1
118 1 61 ILE HG12 1 62 VAL H 3.323 . 4.154 3.962 3.113 4.409 0.255 13 0 "[ . 1 .]" 1
119 1 62 VAL H 1 62 VAL QG 2.607 . 4.313 2.464 2.198 2.687 . 0 0 "[ . 1 .]" 1
120 1 62 VAL H 1 63 VAL H 3.466 . 4.332 4.392 4.317 4.472 0.140 6 0 "[ . 1 .]" 1
121 1 62 VAL HA 1 63 VAL H 2.225 . 2.782 2.104 2.002 2.235 . 0 0 "[ . 1 .]" 1
122 1 62 VAL QG 1 63 VAL H 3.157 . 4.355 2.570 2.391 2.830 . 0 0 "[ . 1 .]" 1
123 1 63 VAL H 1 63 VAL HB 2.797 . 3.497 3.243 2.712 3.829 0.332 11 0 "[ . 1 .]" 1
124 1 64 THR H 1 64 THR HB 3.484 . 4.355 3.143 3.024 3.253 . 0 0 "[ . 1 .]" 1
125 1 65 SER H 1 65 SER HB2 2.798 . 3.498 3.507 2.814 3.696 0.198 4 0 "[ . 1 .]" 1
126 1 65 SER HB3 1 66 THR H 3.125 . 3.907 3.700 3.582 3.866 . 0 0 "[ . 1 .]" 1
127 1 66 THR H 1 66 THR HB 3.054 . 3.817 2.583 2.480 2.678 . 0 0 "[ . 1 .]" 1
128 1 66 THR H 1 66 THR MG 3.226 . 5.243 3.842 3.769 3.900 . 0 0 "[ . 1 .]" 1
129 1 66 THR HA 1 67 GLN H 2.286 . 2.858 2.242 2.163 2.304 . 0 0 "[ . 1 .]" 1
130 1 66 THR MG 1 67 GLN H 2.463 . 4.097 2.688 2.535 2.813 . 0 0 "[ . 1 .]" 1
131 1 69 GLU H 1 70 GLY H 3.196 . 3.995 3.313 2.675 4.046 0.051 2 0 "[ . 1 .]" 1
132 1 69 GLU HA 1 70 GLY H 2.849 . 3.561 2.788 2.418 3.867 0.306 2 0 "[ . 1 .]" 1
133 1 71 GLU H 1 71 GLU QB 2.469 . 4.164 2.390 2.187 2.668 . 0 0 "[ . 1 .]" 1
134 1 73 PRO HA 1 74 GLU H 2.275 . 2.844 2.195 2.064 2.284 . 0 0 "[ . 1 .]" 1
135 1 73 PRO QB 1 74 GLU H 2.634 . 3.293 3.171 3.048 3.266 . 0 0 "[ . 1 .]" 1
136 1 73 PRO QG 1 74 GLU H 5.082 . 7.831 4.667 4.447 4.822 . 0 0 "[ . 1 .]" 1
137 1 74 GLU H 1 74 GLU HG3 2.939 . 3.674 2.988 2.090 3.564 . 0 0 "[ . 1 .]" 1
138 1 74 GLU H 1 75 GLU H 3.644 . 4.555 3.134 2.952 4.704 0.149 4 0 "[ . 1 .]" 1
139 1 75 GLU H 1 76 ALA H 3.380 . 4.225 2.945 2.345 3.109 . 0 0 "[ . 1 .]" 1
140 1 75 GLU QB 1 76 ALA H 2.655 . 4.425 3.407 3.008 3.898 . 0 0 "[ . 1 .]" 1
141 1 75 GLU QG 1 76 ALA H 3.159 . 5.132 3.920 2.714 4.526 . 0 0 "[ . 1 .]" 1
142 1 76 ALA H 1 76 ALA MB 2.193 . 3.692 2.368 2.303 2.474 . 0 0 "[ . 1 .]" 1
143 1 76 ALA H 1 77 VAL H 2.409 . 3.012 2.253 2.082 2.404 . 0 0 "[ . 1 .]" 1
144 1 76 ALA MB 1 77 VAL H 2.881 . 4.725 3.450 3.345 3.566 . 0 0 "[ . 1 .]" 1
145 1 77 VAL H 1 77 VAL HB 2.174 . 2.718 2.427 2.179 3.397 0.679 13 1 "[ . 1 + .]" 1
146 1 77 VAL H 1 78 ALA H 2.888 . 3.610 2.831 2.766 2.873 . 0 0 "[ . 1 .]" 1
147 1 77 VAL HB 1 78 ALA H 2.382 . 2.978 2.925 2.602 3.655 0.677 7 3 "[ . + -1* .]" 1
148 1 78 ALA H 1 78 ALA MB 2.018 . 3.429 2.225 2.188 2.253 . 0 0 "[ . 1 .]" 1
149 1 78 ALA H 1 79 LEU H 2.671 . 3.339 2.689 2.640 2.826 . 0 0 "[ . 1 .]" 1
150 1 78 ALA MB 1 79 LEU H 2.424 . 4.039 2.510 2.474 2.549 . 0 0 "[ . 1 .]" 1
151 1 79 LEU H 1 79 LEU QB 2.118 . 3.671 2.026 1.901 2.294 . 0 0 "[ . 1 .]" 1
152 1 79 LEU H 1 79 LEU MD1 2.977 . 4.869 4.127 4.035 4.264 . 0 0 "[ . 1 .]" 1
153 1 79 LEU H 1 79 LEU MD2 3.303 . 5.359 3.956 3.535 4.073 . 0 0 "[ . 1 .]" 1
154 1 79 LEU H 1 79 LEU HG 3.680 . 4.600 3.965 2.963 4.253 . 0 0 "[ . 1 .]" 1
155 1 79 LEU H 1 80 HIS H 2.533 . 3.166 2.742 2.694 2.805 . 0 0 "[ . 1 .]" 1
156 1 79 LEU QB 1 80 HIS H 2.301 . 3.929 2.697 2.424 3.605 . 0 0 "[ . 1 .]" 1
157 1 79 LEU MD1 1 80 HIS H 2.693 . 4.442 3.854 3.080 4.402 . 0 0 "[ . 1 .]" 1
158 1 79 LEU MD2 1 80 HIS H 3.996 . 6.399 4.064 3.670 4.367 . 0 0 "[ . 1 .]" 1
159 1 79 LEU HG 1 80 HIS H 2.480 . 3.100 3.016 2.405 3.249 0.149 2 0 "[ . 1 .]" 1
160 1 80 HIS H 1 80 HIS HB3 2.979 . 3.724 3.046 2.964 3.120 . 0 0 "[ . 1 .]" 1
161 1 80 HIS H 1 80 HIS HB2 2.429 . 3.036 2.458 2.332 2.565 . 0 0 "[ . 1 .]" 1
162 1 80 HIS H 1 81 LYS H 2.942 . 3.677 2.759 2.720 2.816 . 0 0 "[ . 1 .]" 1
163 1 81 LYS H 1 81 LYS HG3 3.125 . 3.907 3.236 2.489 4.214 0.307 12 0 "[ . 1 .]" 1
164 1 81 LYS HB3 1 82 PHE H 2.739 . 3.424 3.265 2.322 3.567 0.143 15 0 "[ . 1 .]" 1
165 1 81 LYS HB2 1 82 PHE H 2.412 . 3.015 2.800 2.500 3.673 0.658 12 1 "[ . 1 + .]" 1
166 1 82 PHE H 1 82 PHE QB 2.173 . 3.749 2.142 2.053 2.198 . 0 0 "[ . 1 .]" 1
167 1 81 LYS H 1 82 PHE H 3.013 . 3.766 2.642 2.559 2.843 . 0 0 "[ . 1 .]" 1
168 1 82 PHE QB 1 83 LEU H 2.424 . 4.101 2.444 2.283 2.554 . 0 0 "[ . 1 .]" 1
169 1 83 LEU H 1 83 LEU HB2 2.619 . 3.274 2.251 1.887 2.440 . 0 0 "[ . 1 .]" 1
170 1 83 LEU H 1 83 LEU HB3 2.492 . 3.115 3.375 2.806 3.571 0.456 12 0 "[ . 1 .]" 1
171 1 82 PHE H 1 83 LEU H 3.168 . 3.960 2.639 2.533 2.691 . 0 0 "[ . 1 .]" 1
172 1 83 LEU H 1 84 PHE H 2.927 . 3.659 2.715 2.631 2.823 . 0 0 "[ . 1 .]" 1
173 1 83 LEU HB2 1 84 PHE H 2.989 . 3.737 3.323 3.027 4.009 0.272 14 0 "[ . 1 .]" 1
174 1 84 PHE H 1 84 PHE HB3 2.334 . 2.917 2.713 2.356 3.205 0.288 13 0 "[ . 1 .]" 1
175 1 84 PHE H 1 84 PHE HB2 2.669 . 3.336 2.469 2.208 2.984 . 0 0 "[ . 1 .]" 1
176 1 84 PHE H 1 85 SER H 2.633 . 3.291 2.898 2.446 3.994 0.703 14 2 "[ . - 1 +.]" 1
177 1 85 SER H 1 85 SER HB3 2.825 . 3.531 3.296 2.447 3.863 0.332 15 0 "[ . 1 .]" 1
178 1 85 SER H 1 85 SER HB2 2.708 . 3.385 2.841 2.395 3.591 0.206 11 0 "[ . 1 .]" 1
179 1 87 LYS HA 1 88 ALA H 2.655 . 3.319 3.125 2.037 3.476 0.157 15 0 "[ . 1 .]" 1
180 1 88 ALA H 1 88 ALA MB 2.037 . 3.459 2.322 2.126 2.882 . 0 0 "[ . 1 .]" 1
181 1 90 LYS H 1 90 LYS QG 2.557 . 4.288 2.693 1.931 3.951 . 0 0 "[ . 1 .]" 1
182 1 90 LYS HA 1 91 LEU H 2.142 . 2.678 2.400 2.202 3.224 0.546 13 1 "[ . 1 + .]" 1
183 1 91 LEU H 1 91 LEU QD 2.595 . 6.178 2.430 1.855 3.136 . 0 0 "[ . 1 .]" 1
184 1 91 LEU HA 1 92 GLU H 2.248 . 2.810 2.516 2.177 2.919 0.109 14 0 "[ . 1 .]" 1
185 1 91 LEU QD 1 92 GLU H 2.797 . 6.542 3.856 3.012 4.203 . 0 0 "[ . 1 .]" 1
186 1 92 GLU H 1 92 GLU HB3 2.159 . 2.699 2.806 2.194 3.464 0.765 5 4 "[ - *+ * 1 .]" 1
187 1 92 GLU H 1 92 GLU HB2 2.480 . 3.100 2.457 2.149 3.434 0.334 3 0 "[ . 1 .]" 1
188 1 92 GLU H 1 92 GLU QG 2.466 . 4.160 3.305 1.931 3.955 . 0 0 "[ . 1 .]" 1
189 1 92 GLU H 1 93 ASN H 2.306 . 2.883 2.889 2.377 3.054 0.171 10 0 "[ . 1 .]" 1
190 1 92 GLU HB3 1 93 ASN H 2.825 . 3.531 3.004 2.103 3.986 0.455 4 0 "[ . 1 .]" 1
191 1 92 GLU QG 1 93 ASN H 3.584 . 5.728 3.710 2.118 4.252 . 0 0 "[ . 1 .]" 1
192 1 93 ASN H 1 93 ASN HB3 2.553 . 3.192 2.966 2.739 3.156 . 0 0 "[ . 1 .]" 1
193 1 93 ASN H 1 93 ASN HB2 2.706 . 3.382 3.248 3.053 3.614 0.232 8 0 "[ . 1 .]" 1
194 1 93 ASN HA 1 94 THR H 2.393 . 3.492 2.724 2.357 3.191 . 0 0 "[ . 1 .]" 1
195 1 94 THR H 1 94 THR HB 2.489 . 3.111 2.743 2.514 3.130 0.019 13 0 "[ . 1 .]" 1
196 1 94 THR H 1 94 THR MG 2.907 . 4.764 3.921 3.774 4.046 . 0 0 "[ . 1 .]" 1
197 1 93 ASN H 1 94 THR H 2.492 . 3.115 2.590 2.286 3.165 0.050 3 0 "[ . 1 .]" 1
198 1 94 THR HA 1 95 ALA H 2.253 . 2.817 2.116 2.029 2.300 . 0 0 "[ . 1 .]" 1
199 1 94 THR MG 1 95 ALA H 2.315 . 3.875 2.702 2.415 2.895 . 0 0 "[ . 1 .]" 1
200 1 95 ALA H 1 95 ALA MB 2.374 . 3.963 2.510 2.448 2.571 . 0 0 "[ . 1 .]" 1
201 1 95 ALA HA 1 96 PHE H 2.328 . 2.910 2.301 2.231 2.354 . 0 0 "[ . 1 .]" 1
202 1 95 ALA MB 1 96 PHE H 2.270 . 3.808 2.597 2.469 2.706 . 0 0 "[ . 1 .]" 1
203 1 62 VAL H 1 97 ALA H 3.337 . 4.171 3.464 3.271 3.679 . 0 0 "[ . 1 .]" 1
204 1 97 ALA H 1 97 ALA MB 2.447 . 4.073 2.681 2.597 2.735 . 0 0 "[ . 1 .]" 1
205 1 97 ALA HA 1 98 VAL H 2.466 . 3.082 2.149 2.123 2.180 . 0 0 "[ . 1 .]" 1
206 1 97 ALA MB 1 98 VAL H 2.568 . 4.255 2.967 2.916 3.060 . 0 0 "[ . 1 .]" 1
207 1 98 VAL H 1 98 VAL HB 2.808 . 3.510 2.928 2.506 3.392 . 0 0 "[ . 1 .]" 1
208 1 98 VAL H 1 98 VAL QG 2.719 . 4.482 2.428 2.253 2.663 . 0 0 "[ . 1 .]" 1
209 1 98 VAL HA 1 99 PHE H 2.305 . 2.881 2.182 2.075 2.271 . 0 0 "[ . 1 .]" 1
210 1 98 VAL QG 1 99 PHE H 2.341 . 3.915 2.492 2.274 2.742 . 0 0 "[ . 1 .]" 1
211 1 99 PHE H 1 99 PHE HB3 3.072 . 3.840 2.606 2.475 2.677 . 0 0 "[ . 1 .]" 1
212 1 99 PHE HA 1 100 SER H 2.236 . 2.795 2.219 2.191 2.292 . 0 0 "[ . 1 .]" 1
213 1 100 SER HA 1 101 LEU H 2.412 . 3.015 2.100 2.041 2.192 . 0 0 "[ . 1 .]" 1
214 1 101 LEU H 1 101 LEU HB3 2.936 . 3.670 3.608 3.457 3.697 0.027 15 0 "[ . 1 .]" 1
215 1 101 LEU H 1 101 LEU HB2 2.972 . 3.715 2.496 2.343 3.914 0.199 10 0 "[ . 1 .]" 1
216 1 101 LEU H 1 101 LEU QD 3.203 . 5.208 2.513 2.203 2.892 . 0 0 "[ . 1 .]" 1
217 1 101 LEU H 1 101 LEU HG 3.974 . 4.968 3.750 3.171 4.258 . 0 0 "[ . 1 .]" 1
218 1 101 LEU QD 1 102 GLY H 3.907 . 6.265 3.863 3.628 4.230 . 0 0 "[ . 1 .]" 1
219 1 102 GLY HA3 1 103 ASP H 2.449 . 3.062 2.449 2.342 2.554 . 0 0 "[ . 1 .]" 1
220 1 103 ASP H 1 103 ASP QB 2.986 . 4.890 2.574 2.417 2.793 . 0 0 "[ . 1 .]" 1
221 1 103 ASP HA 1 104 THR H 2.429 . 3.036 2.165 2.113 2.287 . 0 0 "[ . 1 .]" 1
222 1 104 THR H 1 104 THR HB 3.237 . 4.047 3.013 2.386 3.467 . 0 0 "[ . 1 .]" 1
223 1 105 SER H 1 106 TYR H 2.987 . 3.734 2.678 2.609 2.752 . 0 0 "[ . 1 .]" 1
224 1 106 TYR HA 1 107 GLU H 2.369 . 2.962 2.284 2.176 2.349 . 0 0 "[ . 1 .]" 1
225 1 106 TYR HB2 1 107 GLU H 3.016 . 3.770 3.968 3.726 4.093 0.323 11 0 "[ . 1 .]" 1
226 1 108 PHE H 1 108 PHE QB 2.374 . 4.030 2.501 2.247 3.133 . 0 0 "[ . 1 .]" 1
227 1 108 PHE HA 1 109 PHE H 2.498 . 3.122 2.564 2.375 3.385 0.263 11 0 "[ . 1 .]" 1
228 1 109 PHE H 1 109 PHE HB3 2.591 . 3.238 2.533 2.388 3.167 . 0 0 "[ . 1 .]" 1
229 1 109 PHE H 1 109 PHE HB2 2.520 . 3.150 2.737 2.479 3.409 0.259 11 0 "[ . 1 .]" 1
230 1 108 PHE H 1 109 PHE H 2.835 . 3.543 3.587 3.108 3.731 0.188 7 0 "[ . 1 .]" 1
231 1 111 GLN H 1 111 GLN QB 2.380 . 4.039 2.168 2.032 2.466 . 0 0 "[ . 1 .]" 1
232 1 111 GLN H 1 111 GLN QG 4.483 . 6.989 3.663 2.060 4.020 . 0 0 "[ . 1 .]" 1
233 1 111 GLN H 1 112 SER H 3.256 . 4.070 2.996 2.945 3.083 . 0 0 "[ . 1 .]" 1
234 1 112 SER H 1 113 GLY H 2.939 . 3.674 2.594 2.565 2.654 . 0 0 "[ . 1 .]" 1
235 1 113 GLY H 1 114 LYS H 3.058 . 3.822 2.660 2.623 2.725 . 0 0 "[ . 1 .]" 1
236 1 115 ASP H 1 115 ASP HB3 3.015 . 3.769 3.504 3.479 3.543 . 0 0 "[ . 1 .]" 1
237 1 115 ASP H 1 115 ASP HB2 2.810 . 3.513 2.597 2.456 2.779 . 0 0 "[ . 1 .]" 1
238 1 114 LYS H 1 115 ASP H 3.127 . 3.908 2.765 2.726 2.800 . 0 0 "[ . 1 .]" 1
239 1 116 PHE H 1 116 PHE HB3 2.640 . 3.300 3.503 3.423 3.614 0.314 5 0 "[ . 1 .]" 1
240 1 115 ASP H 1 116 PHE H 2.887 . 3.608 2.923 2.888 2.982 . 0 0 "[ . 1 .]" 1
241 1 117 ASP H 1 117 ASP HB3 2.642 . 3.303 2.587 2.470 2.725 . 0 0 "[ . 1 .]" 1
242 1 116 PHE H 1 117 ASP H 2.988 . 3.736 2.690 2.646 2.759 . 0 0 "[ . 1 .]" 1
243 1 117 ASP H 1 118 SER H 2.917 . 3.646 2.775 2.741 2.811 . 0 0 "[ . 1 .]" 1
244 1 118 SER H 1 119 LYS H 2.672 . 3.339 2.733 2.657 2.813 . 0 0 "[ . 1 .]" 1
245 1 119 LYS H 1 119 LYS HE3 4.432 . 6.540 5.451 4.171 6.139 . 0 0 "[ . 1 .]" 1
246 1 119 LYS H 1 119 LYS HG2 3.803 . 4.753 3.894 2.132 4.659 . 0 0 "[ . 1 .]" 1
247 1 120 LEU H 1 120 LEU HB3 2.426 . 3.033 3.095 2.281 3.551 0.518 7 1 "[ . + 1 .]" 1
248 1 120 LEU H 1 120 LEU MD1 3.272 . 5.312 3.389 2.212 4.004 . 0 0 "[ . 1 .]" 1
249 1 120 LEU H 1 121 ALA H 2.634 . 3.293 2.757 2.698 2.819 . 0 0 "[ . 1 .]" 1
250 1 120 LEU HB3 1 121 ALA H 2.557 . 3.196 2.890 2.325 3.274 0.078 7 0 "[ . 1 .]" 1
251 1 120 LEU HB2 1 121 ALA H 2.873 . 3.592 2.897 2.388 3.700 0.108 3 0 "[ . 1 .]" 1
252 1 121 ALA MB 1 122 GLU H 2.317 . 3.878 2.633 2.507 2.713 . 0 0 "[ . 1 .]" 1
253 1 122 GLU H 1 122 GLU QB 1.946 . 3.430 2.330 2.207 2.427 . 0 0 "[ . 1 .]" 1
254 1 122 GLU H 1 122 GLU QG 2.972 . 4.870 3.029 2.318 4.075 . 0 0 "[ . 1 .]" 1
255 1 121 ALA H 1 122 GLU H 2.501 . 3.126 2.502 2.460 2.538 . 0 0 "[ . 1 .]" 1
256 1 122 GLU H 1 123 LEU H 2.755 . 3.444 2.702 2.655 2.750 . 0 0 "[ . 1 .]" 1
257 1 123 LEU H 1 123 LEU QD 2.337 . 5.714 3.097 2.581 3.506 . 0 0 "[ . 1 .]" 1
258 1 123 LEU QD 1 124 GLY H 3.866 . 8.470 4.377 4.131 4.563 . 0 0 "[ . 1 .]" 1
259 1 124 GLY H 1 125 GLY H 2.492 . 3.115 2.455 2.200 2.733 . 0 0 "[ . 1 .]" 1
260 1 125 GLY HA3 1 126 GLU H 2.658 . 3.323 3.004 2.959 3.064 . 0 0 "[ . 1 .]" 1
261 1 126 GLU H 1 126 GLU HG2 4.042 . 5.052 4.380 4.024 4.771 . 0 0 "[ . 1 .]" 1
262 1 126 GLU HA 1 127 ARG H 2.175 . 2.719 2.120 2.062 2.159 . 0 0 "[ . 1 .]" 1
263 1 126 GLU QB 1 127 ARG H 2.828 . 4.668 3.773 3.398 3.942 . 0 0 "[ . 1 .]" 1
264 1 126 GLU HG3 1 127 ARG H 3.657 . 4.572 3.817 3.295 4.752 0.180 12 0 "[ . 1 .]" 1
265 1 126 GLU HG2 1 127 ARG H 3.406 . 4.258 3.798 3.255 4.696 0.438 11 0 "[ . 1 .]" 1
266 1 127 ARG HA 1 128 LEU H 2.398 . 2.997 2.156 2.066 2.241 . 0 0 "[ . 1 .]" 1
267 1 128 LEU H 1 128 LEU HB2 2.483 . 3.104 2.211 2.027 2.485 . 0 0 "[ . 1 .]" 1
268 1 128 LEU H 1 128 LEU HB3 2.328 . 2.910 2.935 2.378 3.423 0.513 9 1 "[ . +1 .]" 1
269 1 128 LEU H 1 129 LEU H 2.744 . 3.429 2.456 2.398 2.529 . 0 0 "[ . 1 .]" 1
270 1 129 LEU H 1 129 LEU HB2 2.469 . 3.086 2.899 2.609 3.439 0.353 12 0 "[ . 1 .]" 1
271 1 129 LEU H 1 129 LEU MD2 3.769 . 6.058 4.562 4.132 4.801 . 0 0 "[ . 1 .]" 1
272 1 129 LEU MD2 1 130 ASP H 2.957 . 4.838 3.231 2.153 4.536 . 0 0 "[ . 1 .]" 1
273 1 130 ASP H 1 130 ASP HB3 2.293 . 2.866 2.505 2.442 2.593 . 0 0 "[ . 1 .]" 1
274 1 130 ASP H 1 130 ASP HB2 2.607 . 3.259 2.622 2.487 3.496 0.237 4 0 "[ . 1 .]" 1
275 1 131 ARG H 1 131 ARG HB3 2.636 . 3.295 2.381 2.136 2.716 . 0 0 "[ . 1 .]" 1
276 1 131 ARG H 1 131 ARG HB2 2.633 . 3.291 3.388 2.586 3.553 0.262 11 0 "[ . 1 .]" 1
277 1 131 ARG H 1 131 ARG QG 2.975 . 4.874 2.785 1.913 4.038 . 0 0 "[ . 1 .]" 1
278 1 132 VAL H 1 132 VAL MG1 3.282 . 5.327 3.602 2.359 3.828 . 0 0 "[ . 1 .]" 1
279 1 132 VAL HA 1 133 ASP H 2.091 . 2.614 2.126 2.079 2.150 . 0 0 "[ . 1 .]" 1
280 1 132 VAL MG2 1 133 ASP H 2.774 . 4.564 3.824 3.273 3.965 . 0 0 "[ . 1 .]" 1
281 1 132 VAL MG1 1 133 ASP H 2.469 . 4.106 2.994 2.704 4.133 0.027 14 0 "[ . 1 .]" 1
282 1 134 ALA H 1 134 ALA MB 2.273 . 3.813 2.439 2.284 2.601 . 0 0 "[ . 1 .]" 1
283 1 134 ALA HA 1 135 ASP H 2.221 . 2.776 2.250 2.172 2.317 . 0 0 "[ . 1 .]" 1
284 1 134 ALA MB 1 135 ASP H 2.444 . 4.069 2.885 2.787 2.955 . 0 0 "[ . 1 .]" 1
285 1 135 ASP HA 1 136 VAL H 2.826 . 3.533 2.636 2.352 2.707 . 0 0 "[ . 1 .]" 1
286 1 135 ASP HB3 1 136 VAL H 3.133 . 3.916 3.604 2.824 3.867 . 0 0 "[ . 1 .]" 1
287 1 135 ASP HB2 1 136 VAL H 2.820 . 3.524 2.283 2.115 3.734 0.210 2 0 "[ . 1 .]" 1
288 1 137 GLU H 1 137 GLU QG 2.400 . 4.068 2.329 1.879 3.436 . 0 0 "[ . 1 .]" 1
289 1 136 VAL H 1 137 GLU H 2.992 . 3.740 2.917 2.810 3.379 . 0 0 "[ . 1 .]" 1
290 1 137 GLU QB 1 138 TYR H 2.575 . 4.313 3.683 2.634 4.016 . 0 0 "[ . 1 .]" 1
291 1 137 GLU QG 1 138 TYR H 3.764 . 5.981 4.370 2.153 4.924 . 0 0 "[ . 1 .]" 1
292 1 139 GLN H 1 139 GLN QB 2.047 . 3.572 2.407 2.189 2.594 . 0 0 "[ . 1 .]" 1
293 1 139 GLN H 1 139 GLN HG3 2.081 . 2.602 2.434 1.941 3.371 0.769 13 4 "[ *- . *1 + .]" 1
294 1 139 GLN H 1 139 GLN HG2 2.603 . 3.253 2.796 1.918 3.481 0.228 14 0 "[ . 1 .]" 1
295 1 138 TYR H 1 139 GLN H 2.724 . 3.404 2.915 2.594 3.709 0.305 1 0 "[ . 1 .]" 1
296 1 140 ALA H 1 140 ALA MB 2.281 . 3.825 2.240 2.226 2.258 . 0 0 "[ . 1 .]" 1
297 1 140 ALA MB 1 141 ALA H 2.134 . 3.604 2.765 2.711 2.814 . 0 0 "[ . 1 .]" 1
298 1 141 ALA H 1 141 ALA MB 1.987 . 3.382 2.170 2.146 2.192 . 0 0 "[ . 1 .]" 1
299 1 140 ALA H 1 141 ALA H 3.181 . 3.976 2.320 2.285 2.360 . 0 0 "[ . 1 .]" 1
300 1 141 ALA H 1 142 ALA H 2.765 . 3.457 2.734 2.672 2.793 . 0 0 "[ . 1 .]" 1
301 1 141 ALA MB 1 142 ALA H 2.236 . 3.757 2.501 2.445 2.536 . 0 0 "[ . 1 .]" 1
302 1 142 ALA H 1 142 ALA MB 2.056 . 3.487 2.208 2.114 2.291 . 0 0 "[ . 1 .]" 1
303 1 142 ALA H 1 143 SER H 2.691 . 3.364 2.751 2.690 2.800 . 0 0 "[ . 1 .]" 1
304 1 142 ALA MB 1 143 SER H 2.341 . 3.915 2.535 2.387 2.718 . 0 0 "[ . 1 .]" 1
305 1 143 SER H 1 144 GLU H 2.550 . 3.187 2.803 2.732 2.852 . 0 0 "[ . 1 .]" 1
306 1 144 GLU QB 1 145 TRP H 2.471 . 4.168 2.499 2.362 2.603 . 0 0 "[ . 1 .]" 1
307 1 145 TRP H 1 145 TRP HB3 2.533 . 3.166 2.369 2.328 2.434 . 0 0 "[ . 1 .]" 1
308 1 145 TRP H 1 145 TRP HB2 2.369 . 2.962 2.670 2.575 2.734 . 0 0 "[ . 1 .]" 1
309 1 144 GLU H 1 145 TRP H 2.632 . 3.290 2.593 2.556 2.644 . 0 0 "[ . 1 .]" 1
310 1 145 TRP H 1 146 ARG H 2.826 . 3.533 2.746 2.707 2.803 . 0 0 "[ . 1 .]" 1
311 1 146 ARG H 1 146 ARG HB2 2.434 . 3.042 2.751 2.465 3.237 0.195 5 0 "[ . 1 .]" 1
312 1 146 ARG H 1 146 ARG HB3 2.180 . 2.725 2.205 2.032 2.467 . 0 0 "[ . 1 .]" 1
313 1 146 ARG H 1 146 ARG QG 2.513 . 4.226 3.779 3.251 3.921 . 0 0 "[ . 1 .]" 1
314 1 146 ARG QG 1 147 ALA H 2.689 . 4.473 3.019 2.350 3.359 . 0 0 "[ . 1 .]" 1
315 1 146 ARG H 1 147 ALA H 2.546 . 3.183 2.863 2.831 2.904 . 0 0 "[ . 1 .]" 1
316 1 147 ALA MB 1 148 ARG H 2.384 . 3.979 2.947 2.897 3.022 . 0 0 "[ . 1 .]" 1
317 1 148 ARG H 1 148 ARG QD 4.091 . 6.439 4.151 3.650 4.611 . 0 0 "[ . 1 .]" 1
318 1 147 ALA H 1 148 ARG H 2.815 . 3.519 2.896 2.846 2.936 . 0 0 "[ . 1 .]" 1
319 1 149 VAL H 1 149 VAL QG . . 3.694 2.299 1.966 2.646 . 0 0 "[ . 1 .]" 1
320 1 148 ARG H 1 149 VAL H 2.510 . 3.138 2.400 2.330 2.473 . 0 0 "[ . 1 .]" 1
321 1 149 VAL QG 1 150 VAL H 4.477 . 7.121 2.748 2.326 3.128 . 0 0 "[ . 1 .]" 1
322 1 150 VAL H 1 150 VAL HB 2.149 . 2.686 2.282 2.168 2.456 . 0 0 "[ . 1 .]" 1
323 1 150 VAL H 1 150 VAL QG 2.060 . 5.214 2.105 2.033 2.176 . 0 0 "[ . 1 .]" 1
324 1 149 VAL H 1 150 VAL H 2.591 . 3.238 2.736 2.679 2.807 . 0 0 "[ . 1 .]" 1
325 1 150 VAL HB 1 151 ASP H 2.384 . 2.981 2.379 2.289 2.475 . 0 0 "[ . 1 .]" 1
326 1 151 ASP H 1 151 ASP QB 2.055 . 3.583 2.232 2.106 2.451 . 0 0 "[ . 1 .]" 1
327 1 150 VAL H 1 151 ASP H 2.678 . 3.347 2.831 2.793 2.880 . 0 0 "[ . 1 .]" 1
328 1 151 ASP H 1 152 ALA H 2.632 . 3.290 2.842 2.764 2.914 . 0 0 "[ . 1 .]" 1
329 1 151 ASP QB 1 152 ALA H 2.347 . 3.993 2.653 2.609 2.740 . 0 0 "[ . 1 .]" 1
330 1 152 ALA H 1 152 ALA MB 2.026 . 3.441 2.223 2.177 2.271 . 0 0 "[ . 1 .]" 1
331 1 152 ALA MB 1 153 LEU H 2.188 . 3.685 2.521 2.400 2.644 . 0 0 "[ . 1 .]" 1
332 1 153 LEU H 1 153 LEU HB3 2.695 . 3.369 3.540 3.167 3.746 0.377 8 0 "[ . 1 .]" 1
333 1 152 ALA H 1 153 LEU H 2.568 . 3.210 2.687 2.593 2.848 . 0 0 "[ . 1 .]" 1
334 1 153 LEU HB3 1 154 LYS H 3.019 . 3.774 3.838 3.595 4.517 0.743 7 2 "[ -. + 1 .]" 1
335 1 154 LYS H 1 154 LYS QB 1.913 . 3.384 2.399 2.194 2.604 . 0 0 "[ . 1 .]" 1
336 1 154 LYS H 1 154 LYS QE 2.700 . 4.489 3.834 2.957 4.222 . 0 0 "[ . 1 .]" 1
337 1 154 LYS H 1 154 LYS HG3 2.646 . 3.307 3.085 2.407 3.989 0.682 15 1 "[ . 1 +]" 1
338 1 153 LEU H 1 154 LYS H 2.183 . 2.729 2.605 2.215 2.709 . 0 0 "[ . 1 .]" 1
339 1 154 LYS QB 1 155 SER H 2.526 . 4.244 2.792 2.407 3.652 . 0 0 "[ . 1 .]" 1
340 1 154 LYS H 1 155 SER H 3.165 . 3.956 2.613 2.449 2.919 . 0 0 "[ . 1 .]" 1
341 1 155 SER H 1 156 ARG H 2.735 . 3.419 2.622 2.405 2.806 . 0 0 "[ . 1 .]" 1
342 1 156 ARG H 1 156 ARG HB2 2.391 . 2.989 2.896 2.520 3.965 0.976 9 1 "[ . +1 .]" 1
343 1 156 ARG H 1 157 ALA H 2.452 . 3.065 2.349 2.032 2.818 . 0 0 "[ . 1 .]" 1
344 1 157 ALA H 1 157 ALA MB 2.117 . 3.577 2.300 2.040 2.453 . 0 0 "[ . 1 .]" 1
345 1 26 VAL H 1 26 VAL HB 2.315 . 2.894 2.612 2.245 2.979 0.085 6 0 "[ . 1 .]" 1
346 1 38 LYS H 1 38 LYS QG 2.209 . 3.800 2.933 2.740 3.499 . 0 0 "[ . 1 .]" 1
347 1 119 LYS H 1 120 LEU H 2.731 . 3.414 2.828 2.783 2.878 . 0 0 "[ . 1 .]" 1
348 1 12 ILE H 1 41 VAL HA 3.044 . 3.805 2.681 2.500 2.964 . 0 0 "[ . 1 .]" 1
349 1 13 THR HA 1 42 LYS H 2.817 . 3.522 2.808 2.704 3.014 . 0 0 "[ . 1 .]" 1
350 1 14 ILE H 1 43 LEU HA 2.619 . 3.274 2.934 2.710 3.125 . 0 0 "[ . 1 .]" 1
351 1 15 ILE HA 1 44 VAL H 3.237 . 4.047 3.027 2.867 3.147 . 0 0 "[ . 1 .]" 1
352 1 16 SER H 1 45 ASN HA 3.198 . 3.997 2.828 2.484 3.355 . 0 0 "[ . 1 .]" 1
353 1 17 ALA HA 1 46 ALA H 3.323 . 4.154 3.730 3.243 4.178 0.024 7 0 "[ . 1 .]" 1
354 1 13 THR H 1 60 LEU HA 3.059 . 3.824 2.966 2.671 3.404 . 0 0 "[ . 1 .]" 1
355 1 14 ILE HA 1 61 ILE H 2.916 . 3.645 2.642 2.304 2.865 . 0 0 "[ . 1 .]" 1
356 1 15 ILE H 1 62 VAL HA 3.112 . 3.890 2.816 2.488 3.085 . 0 0 "[ . 1 .]" 1
357 1 17 ALA H 1 64 THR HB 3.623 . 4.529 4.312 4.012 4.538 0.009 11 0 "[ . 1 .]" 1
358 1 59 LEU HA 1 95 ALA H 2.690 . 3.362 3.256 3.060 3.409 0.047 7 0 "[ . 1 .]" 1
359 1 60 LEU H 1 96 PHE HA 3.017 . 3.771 2.869 2.469 3.420 . 0 0 "[ . 1 .]" 1
360 1 61 ILE HA 1 97 ALA H 2.918 . 3.647 2.800 2.639 3.016 . 0 0 "[ . 1 .]" 1
361 1 62 VAL H 1 98 VAL HA 2.939 . 3.674 3.009 2.641 3.480 . 0 0 "[ . 1 .]" 1
362 1 63 VAL HA 1 99 PHE H 3.308 . 4.135 2.710 2.481 2.970 . 0 0 "[ . 1 .]" 1
363 1 64 THR H 1 100 SER HA 2.197 . 2.746 2.840 2.730 2.972 0.226 11 0 "[ . 1 .]" 1
364 1 65 SER HA 1 101 LEU H 3.448 . 4.310 2.590 2.404 2.841 . 0 0 "[ . 1 .]" 1
365 1 95 ALA HA 1 126 GLU H 2.724 . 3.405 2.304 2.131 2.569 . 0 0 "[ . 1 .]" 1
366 1 96 PHE H 1 127 ARG HA 3.058 . 3.822 3.061 2.835 3.377 . 0 0 "[ . 1 .]" 1
367 1 100 SER H 1 133 ASP HA 3.321 . 4.151 3.229 3.011 3.796 . 0 0 "[ . 1 .]" 1
368 1 102 GLY H 1 135 ASP HA 4.098 . 5.123 3.315 3.108 3.551 . 0 0 "[ . 1 .]" 1
369 1 103 ASP HA 1 136 VAL H 3.344 . 4.180 3.038 2.602 3.234 . 0 0 "[ . 1 .]" 1
370 1 13 THR H 1 13 THR MG 2.523 . 4.187 3.681 3.529 3.738 . 0 0 "[ . 1 .]" 1
371 1 20 THR H 1 22 ASN H 4.423 . 5.529 3.777 3.667 3.887 . 0 0 "[ . 1 .]" 1
372 1 21 GLY H 1 23 ALA H 4.674 . 5.843 4.129 3.975 4.246 . 0 0 "[ . 1 .]" 1
373 1 18 SER HA 1 21 GLY H 4.918 . 6.148 4.840 4.638 5.012 . 0 0 "[ . 1 .]" 1
374 1 21 GLY HA3 1 22 ASN H 3.162 . 3.952 3.469 3.415 3.528 . 0 0 "[ . 1 .]" 1
375 1 24 ARG HA 1 27 ALA H 3.832 . 4.790 3.518 3.335 3.718 . 0 0 "[ . 1 .]" 1
376 1 25 ARG HA 1 28 GLU H 3.027 . 3.784 3.375 3.152 3.595 . 0 0 "[ . 1 .]" 1
377 1 26 VAL HA 1 29 ALA H 2.962 . 3.702 3.292 3.089 3.486 . 0 0 "[ . 1 .]" 1
378 1 26 VAL HA 1 30 LEU H 4.638 . 5.798 4.121 4.009 4.231 . 0 0 "[ . 1 .]" 1
379 1 29 ALA HA 1 32 ASP H 3.466 . 4.332 3.629 3.444 3.819 . 0 0 "[ . 1 .]" 1
380 1 30 LEU HA 1 33 ASP H 3.208 . 4.010 3.260 2.995 3.534 . 0 0 "[ . 1 .]" 1
381 1 30 LEU HA 1 34 LEU H 5.368 . 6.710 4.252 3.881 4.476 . 0 0 "[ . 1 .]" 1
382 1 32 ASP HA 1 34 LEU H 3.124 . 3.905 4.161 4.104 4.208 0.303 8 0 "[ . 1 .]" 1
383 1 32 ASP HA 1 36 ALA H 2.708 . 3.385 3.483 3.397 3.561 0.176 11 0 "[ . 1 .]" 1
384 1 34 LEU HA 1 37 ALA H 3.428 . 4.285 2.918 2.657 3.074 . 0 0 "[ . 1 .]" 1
385 1 35 LEU HA 1 39 LEU H 3.270 . 5.588 2.944 2.082 4.647 . 0 0 "[ . 1 .]" 1
386 1 74 GLU HA 1 76 ALA H 3.977 . 4.971 3.875 3.685 3.986 . 0 0 "[ . 1 .]" 1
387 1 75 GLU HA 1 76 ALA H 2.851 . 3.563 3.482 3.424 3.562 . 0 0 "[ . 1 .]" 1
388 1 74 GLU HA 1 77 VAL H 3.425 . 4.281 3.611 3.474 3.815 . 0 0 "[ . 1 .]" 1
389 1 76 ALA HA 1 78 ALA H 3.931 . 4.914 4.130 3.857 4.256 . 0 0 "[ . 1 .]" 1
390 1 79 LEU HA 1 82 PHE H 4.067 . 5.084 3.498 3.246 3.631 . 0 0 "[ . 1 .]" 1
391 1 80 HIS HA 1 83 LEU H 4.516 . 5.645 3.515 3.245 4.201 . 0 0 "[ . 1 .]" 1
392 1 83 LEU HA 1 85 SER H 5.019 . 6.274 4.401 3.612 6.183 . 0 0 "[ . 1 .]" 1
393 1 110 CYS HA 1 113 GLY H 4.337 . 5.421 3.661 3.468 3.850 . 0 0 "[ . 1 .]" 1
394 1 113 GLY HA2 1 116 PHE H 5.375 . 6.718 3.563 3.403 3.746 . 0 0 "[ . 1 .]" 1
395 1 113 GLY HA3 1 116 PHE H 5.065 . 6.331 4.804 4.654 4.918 . 0 0 "[ . 1 .]" 1
396 1 114 LYS HA 1 117 ASP H 4.878 . 6.097 3.773 3.636 3.987 . 0 0 "[ . 1 .]" 1
397 1 120 LEU HA 1 123 LEU H 3.913 . 4.891 3.440 3.354 3.536 . 0 0 "[ . 1 .]" 1
398 1 122 GLU HA 1 124 GLY H 4.110 . 5.138 3.701 3.549 3.931 . 0 0 "[ . 1 .]" 1
399 1 121 ALA HA 1 125 GLY H 2.564 . 3.205 2.997 2.796 3.214 0.009 15 0 "[ . 1 .]" 1
400 1 139 GLN HA 1 142 ALA H 3.599 . 4.499 3.687 3.516 3.888 . 0 0 "[ . 1 .]" 1
401 1 140 ALA HA 1 143 SER H 2.975 . 3.718 3.594 3.455 3.765 0.047 5 0 "[ . 1 .]" 1
402 1 141 ALA HA 1 144 GLU H 3.481 . 4.351 3.554 3.361 3.770 . 0 0 "[ . 1 .]" 1
403 1 145 TRP HA 1 148 ARG H 2.954 . 3.992 3.372 3.216 3.513 . 0 0 "[ . 1 .]" 1
404 1 145 TRP HA 1 149 VAL H 4.271 . 5.339 4.206 4.017 4.377 . 0 0 "[ . 1 .]" 1
405 1 147 ALA HA 1 150 VAL H 3.896 . 4.870 3.686 3.456 3.917 . 0 0 "[ . 1 .]" 1
406 1 148 ARG HA 1 151 ASP H 3.310 . 4.137 3.548 3.314 3.765 . 0 0 "[ . 1 .]" 1
407 1 151 ASP H 1 154 LYS H 4.689 . 5.861 4.868 4.662 5.159 . 0 0 "[ . 1 .]" 1
408 1 153 LEU HA 1 157 ALA H 3.439 . 4.299 4.403 4.003 4.571 0.272 14 0 "[ . 1 .]" 1
409 1 19 GLN H 1 21 GLY H 3.332 . 4.165 4.270 4.218 4.316 0.151 13 0 "[ . 1 .]" 1
410 1 23 ALA H 1 25 ARG H 3.897 . 4.871 4.400 4.300 4.549 . 0 0 "[ . 1 .]" 1
411 1 149 VAL H 1 151 ASP H 5.061 . 6.326 4.401 4.295 4.492 . 0 0 "[ . 1 .]" 1
412 1 66 THR MG 1 112 SER H 2.489 . 4.136 2.463 2.048 2.810 . 0 0 "[ . 1 .]" 1
413 1 64 THR MG 1 116 PHE H 3.221 . 5.235 4.191 4.060 4.309 . 0 0 "[ . 1 .]" 1
414 1 98 VAL QG 1 116 PHE H 3.743 . 6.019 4.068 3.868 4.198 . 0 0 "[ . 1 .]" 1
415 1 98 VAL HB 1 117 ASP H 4.005 . 5.006 4.873 4.554 5.074 0.068 3 0 "[ . 1 .]" 1
416 1 121 ALA H 1 122 GLU QB 3.526 . 5.648 4.398 4.248 4.539 . 0 0 "[ . 1 .]" 1
417 1 91 LEU QD 1 125 GLY H 2.753 . 6.463 2.934 2.317 4.240 . 0 0 "[ . 1 .]" 1
418 1 91 LEU QB 1 125 GLY H 2.833 . 4.674 3.364 2.611 4.320 . 0 0 "[ . 1 .]" 1
419 1 91 LEU HG 1 125 GLY H 3.000 . 3.750 3.835 3.619 3.964 0.214 14 0 "[ . 1 .]" 1
420 1 95 ALA MB 1 126 GLU H 2.731 . 4.500 3.702 3.577 3.828 . 0 0 "[ . 1 .]" 1
421 1 96 PHE H 1 128 LEU H 3.500 . 4.375 2.899 2.666 3.384 . 0 0 "[ . 1 .]" 1
422 1 127 ARG HA 1 129 LEU H 3.312 . 4.140 3.673 3.526 3.885 . 0 0 "[ . 1 .]" 1
423 1 47 GLY H 1 75 GLU QB 3.015 . 4.930 2.349 2.130 2.721 . 0 0 "[ . 1 .]" 1
424 1 47 GLY H 1 75 GLU QG 2.728 . 4.528 3.473 3.001 3.861 . 0 0 "[ . 1 .]" 1
425 1 45 ASN HB3 1 47 GLY H 3.210 . 4.013 3.339 2.684 3.638 . 0 0 "[ . 1 .]" 1
426 1 15 ILE MG 1 46 ALA H 2.516 . 6.178 2.829 2.637 3.052 . 0 0 "[ . 1 .]" 1
427 1 52 LYS H 1 52 LYS HA 2.587 . 3.234 2.891 2.856 2.916 . 0 0 "[ . 1 .]" 1
428 1 91 LEU H 1 123 LEU HB3 3.067 . 3.833 3.599 2.600 4.407 0.574 13 1 "[ . 1 + .]" 1
429 1 87 LYS HB2 1 88 ALA H 3.951 . 4.939 3.955 3.389 4.715 . 0 0 "[ . 1 .]" 1
430 1 66 THR MG 1 111 GLN H 2.591 . 4.289 2.251 2.042 2.422 . 0 0 "[ . 1 .]" 1
431 1 15 ILE H 1 15 ILE HB 2.431 . 3.100 2.952 2.557 3.164 0.064 6 0 "[ . 1 .]" 1
432 1 16 SER H 1 43 LEU QD 2.924 . 6.772 3.907 3.408 4.397 . 0 0 "[ . 1 .]" 1
433 1 15 ILE MG 1 16 SER H 2.874 . 4.715 2.389 2.263 2.586 . 0 0 "[ . 1 .]" 1
434 1 18 SER H 1 75 GLU QG 3.019 . 4.936 3.721 2.857 4.261 . 0 0 "[ . 1 .]" 1
435 1 19 GLN H 1 20 THR MG 2.735 . 4.506 3.560 3.526 3.595 . 0 0 "[ . 1 .]" 1
436 1 20 THR MG 1 21 GLY H 3.054 . 4.985 3.641 3.547 3.715 . 0 0 "[ . 1 .]" 1
437 1 23 ALA H 1 101 LEU QD 3.919 . 6.283 3.130 2.866 3.385 . 0 0 "[ . 1 .]" 1
438 1 24 ARG H 1 27 ALA H 3.463 . 4.828 4.714 4.498 4.858 0.030 9 0 "[ . 1 .]" 1
439 1 25 ARG H 1 26 VAL QG 4.002 . 6.407 4.096 3.917 4.362 . 0 0 "[ . 1 .]" 1
440 1 28 GLU H 1 43 LEU QD 2.837 . 6.615 3.494 3.007 3.851 . 0 0 "[ . 1 .]" 1
441 1 38 LYS H 1 39 LEU HG 3.109 . 3.887 3.964 3.519 4.203 0.316 11 0 "[ . 1 .]" 1
442 1 39 LEU H 1 39 LEU HG 2.334 . 2.917 2.616 2.005 3.345 0.428 1 0 "[ . 1 .]" 1
443 1 51 PHE HA 1 54 ILE H 3.472 . 4.340 2.825 2.671 2.987 . 0 0 "[ . 1 .]" 1
444 1 82 PHE H 1 83 LEU HB2 2.729 . 4.911 4.552 4.036 4.769 . 0 0 "[ . 1 .]" 1
445 1 64 THR MG 1 113 GLY H 2.773 . 4.562 3.314 3.020 3.651 . 0 0 "[ . 1 .]" 1
446 1 116 PHE H 1 116 PHE QD 3.212 . 6.506 3.137 2.605 3.335 . 0 0 "[ . 1 .]" 1
447 1 56 SER H 1 57 GLU HG2 3.920 . 4.900 3.477 2.635 5.129 0.229 6 0 "[ . 1 .]" 1
448 1 57 GLU HA 1 58 LYS H 2.255 . 2.819 2.171 2.097 2.251 . 0 0 "[ . 1 .]" 1
449 1 93 ASN H 1 94 THR MG 3.775 . 6.066 5.046 4.785 5.216 . 0 0 "[ . 1 .]" 1
450 1 93 ASN H 1 94 THR HB 4.186 . 5.233 4.150 3.911 4.524 . 0 0 "[ . 1 .]" 1
451 1 91 LEU QD 1 94 THR H 3.627 . 8.040 4.140 3.632 4.514 . 0 0 "[ . 1 .]" 1
452 1 91 LEU QB 1 94 THR H 2.587 . 4.330 2.984 2.549 3.349 . 0 0 "[ . 1 .]" 1
453 1 64 THR MG 1 65 SER H 3.100 . 5.053 4.036 3.870 4.211 . 0 0 "[ . 1 .]" 1
454 1 17 ALA MB 1 65 SER H 2.669 . 4.407 3.190 2.632 3.476 . 0 0 "[ . 1 .]" 1
455 1 65 SER H 1 73 PRO QG 3.184 . 5.168 2.552 1.959 3.807 . 0 0 "[ . 1 .]" 1
456 1 64 THR HB 1 65 SER H 3.055 . 4.319 4.132 4.066 4.241 . 0 0 "[ . 1 .]" 1
457 1 66 THR H 1 101 LEU HA 3.237 . 6.047 6.005 5.748 6.156 0.109 3 0 "[ . 1 .]" 1
458 1 67 GLN HG3 1 68 GLY H 4.200 . 5.250 3.755 2.380 4.721 . 0 0 "[ . 1 .]" 1
459 1 66 THR MG 1 70 GLY H 2.681 . 4.425 3.271 3.001 3.708 . 0 0 "[ . 1 .]" 1
460 1 70 GLY H 1 108 PHE QB 3.316 . 5.353 3.468 2.783 4.737 . 0 0 "[ . 1 .]" 1
461 1 66 THR MG 1 71 GLU H 3.200 . 5.203 3.549 2.969 3.859 . 0 0 "[ . 1 .]" 1
462 1 67 GLN QB 1 71 GLU H 2.486 . 4.188 3.710 3.279 4.008 . 0 0 "[ . 1 .]" 1
463 1 74 GLU H 1 77 VAL MG2 4.505 . 7.163 4.437 3.841 5.937 . 0 0 "[ . 1 .]" 1
464 1 76 ALA H 1 77 VAL MG2 2.607 . 4.313 3.720 3.245 5.277 0.964 11 3 "[ . * -1+ .]" 1
465 1 95 ALA H 1 126 GLU QB 3.994 . 6.304 4.652 4.342 4.855 . 0 0 "[ . 1 .]" 1
466 1 60 LEU MD1 1 95 ALA H 3.623 . 5.839 5.226 4.747 6.117 0.278 7 0 "[ . 1 .]" 1
467 1 96 PHE H 1 126 GLU QB 3.078 . 5.019 3.793 3.619 4.003 . 0 0 "[ . 1 .]" 1
468 1 98 VAL H 1 131 ARG HB3 3.904 . 4.880 4.353 3.587 5.686 0.806 10 1 "[ . + .]" 1
469 1 64 THR H 1 99 PHE H 4.032 . 5.040 3.758 3.608 3.972 . 0 0 "[ . 1 .]" 1
470 1 100 SER H 1 132 VAL MG1 3.463 . 5.598 3.529 3.235 3.962 . 0 0 "[ . 1 .]" 1
471 1 100 SER H 1 132 VAL HB 2.984 . 3.730 3.617 3.297 4.367 0.637 11 2 "[ . 1+ -.]" 1
472 1 99 PHE QD 1 100 SER H 3.925 . 7.507 3.512 2.230 3.749 . 0 0 "[ . 1 .]" 1
473 1 100 SER H 1 132 VAL H 3.252 . 4.066 3.619 3.029 3.941 . 0 0 "[ . 1 .]" 1
474 1 103 ASP H 1 106 TYR QD 4.124 . 7.787 3.852 2.398 4.429 . 0 0 "[ . 1 .]" 1
475 1 104 THR H 1 135 ASP HA 4.645 . 5.807 3.777 3.469 3.993 . 0 0 "[ . 1 .]" 1
476 1 104 THR H 1 109 PHE QD 3.168 . 6.445 3.739 3.402 4.203 . 0 0 "[ . 1 .]" 1
477 1 106 TYR QD 1 107 GLU H 5.486 . 9.698 4.094 3.792 4.655 . 0 0 "[ . 1 .]" 1
478 1 66 THR MG 1 110 CYS H 3.454 . 5.580 3.438 2.921 3.856 . 0 0 "[ . 1 .]" 1
479 1 109 PHE QD 1 110 CYS H 3.160 . 6.434 2.977 2.458 4.301 . 0 0 "[ . 1 .]" 1
480 1 135 ASP H 1 141 ALA MB 2.942 . 4.816 4.038 3.923 4.148 . 0 0 "[ . 1 .]" 1
481 1 138 TYR QD 1 139 GLN H 5.690 . 9.984 3.596 3.368 3.693 . 0 0 "[ . 1 .]" 1
482 1 142 ALA H 1 144 GLU QB 3.929 . 6.213 5.171 4.868 5.290 . 0 0 "[ . 1 .]" 1
483 1 143 SER H 1 144 GLU QB 3.087 . 5.032 4.523 4.359 4.596 . 0 0 "[ . 1 .]" 1
484 1 152 ALA MB 1 155 SER H 3.337 . 5.409 4.506 4.272 4.837 . 0 0 "[ . 1 .]" 1
485 1 153 LEU MD2 1 156 ARG H 3.516 . 5.678 4.779 4.271 6.115 0.437 7 0 "[ . 1 .]" 1
486 1 156 ARG H 1 157 ALA MB 2.699 . 4.451 3.613 3.505 3.788 . 0 0 "[ . 1 .]" 1
487 1 61 ILE MD 1 149 VAL QG 2.565 . 5.425 1.900 1.732 2.062 . 0 0 "[ . 1 .]" 1
488 1 15 ILE MD 1 54 ILE MD 3.026 . 6.255 2.173 2.037 2.287 . 0 0 "[ . 1 .]" 1
489 1 61 ILE MG 1 149 VAL QG 2.795 . 5.839 3.243 3.126 3.349 . 0 0 "[ . 1 .]" 1
490 1 15 ILE MD 1 46 ALA MB 3.483 . 7.078 4.041 3.831 4.494 . 0 0 "[ . 1 .]" 1
491 1 120 LEU HB3 1 121 ALA MB 3.366 . 5.452 3.870 3.254 4.117 . 0 0 "[ . 1 .]" 1
492 1 120 LEU HB2 1 121 ALA MB 3.669 . 5.908 4.165 3.666 4.982 . 0 0 "[ . 1 .]" 1
493 1 120 LEU MD1 1 121 ALA MB 3.728 . 7.521 4.932 4.760 5.271 . 0 0 "[ . 1 .]" 1
494 1 15 ILE MD 1 62 VAL QG 2.651 . 5.579 2.714 2.247 3.337 . 0 0 "[ . 1 .]" 1
495 1 15 ILE HG12 1 62 VAL QG 2.446 . 5.787 4.276 3.790 5.082 . 0 0 "[ . 1 .]" 1
496 1 30 LEU QD 1 149 VAL QG 3.019 . 5.383 1.785 1.671 1.879 . 0 0 "[ . 1 .]" 1
497 1 13 THR MG 1 15 ILE MD 2.570 . 5.434 3.187 2.725 3.628 . 0 0 "[ . 1 .]" 1
498 1 97 ALA MB 1 149 VAL QG 2.426 . 5.174 2.888 2.531 3.267 . 0 0 "[ . 1 .]" 1
499 1 15 ILE MD 1 79 LEU MD2 2.894 . 6.018 2.774 2.424 3.062 . 0 0 "[ . 1 .]" 1
500 1 15 ILE MG 1 79 LEU MD2 4.135 . 8.255 2.944 2.550 3.429 . 0 0 "[ . 1 .]" 1
501 1 128 LEU MD2 1 149 VAL QG 3.780 . 7.614 3.898 2.341 4.822 . 0 0 "[ . 1 .]" 1
502 1 149 VAL QG 1 153 LEU MD2 3.159 . 6.361 3.090 2.149 3.886 . 0 0 "[ . 1 .]" 1
503 1 128 LEU MD1 1 149 VAL QG 3.420 . 6.965 4.119 3.702 4.472 . 0 0 "[ . 1 .]" 1
504 1 129 LEU MD2 1 149 VAL QG 2.633 . 5.547 3.151 1.855 3.762 . 0 0 "[ . 1 .]" 1
505 1 15 ILE MD 1 60 LEU HG 3.578 . 5.772 3.119 2.479 3.735 . 0 0 "[ . 1 .]" 1
506 1 15 ILE HG13 1 60 LEU HG 3.385 . 4.232 3.586 2.809 4.043 . 0 0 "[ . 1 .]" 1
507 1 149 VAL QG 1 153 LEU HG 3.384 . 4.781 2.838 2.262 3.569 . 0 0 "[ . 1 .]" 1
508 1 148 ARG HG2 1 149 VAL QG 3.783 . 6.079 5.047 4.247 5.589 . 0 0 "[ . 1 .]" 1
509 1 15 ILE MD 1 79 LEU HG 4.182 . 6.678 5.101 4.716 5.455 . 0 0 "[ . 1 .]" 1
510 1 148 ARG HB2 1 149 VAL QG 3.432 . 5.553 3.403 2.915 4.504 . 0 0 "[ . 1 .]" 1
511 1 128 LEU HB3 1 149 VAL QG 3.787 . 6.085 4.551 4.020 4.856 . 0 0 "[ . 1 .]" 1
512 1 129 LEU HB2 1 149 VAL QG 3.251 . 5.281 3.493 3.183 4.000 . 0 0 "[ . 1 .]" 1
513 1 129 LEU HB3 1 149 VAL QG 3.265 . 5.302 3.971 3.389 4.352 . 0 0 "[ . 1 .]" 1
514 1 120 LEU HB3 1 121 ALA HA 4.048 . 5.060 4.034 3.793 4.290 . 0 0 "[ . 1 .]" 1
515 1 15 ILE MD 1 46 ALA HA 3.209 . 5.218 4.185 3.725 4.310 . 0 0 "[ . 1 .]" 1
516 1 15 ILE MG 1 46 ALA HA 2.310 . 3.867 2.709 2.556 2.949 . 0 0 "[ . 1 .]" 1
517 1 148 ARG HA 1 149 VAL QG 3.972 . 6.362 4.779 4.566 4.939 . 0 0 "[ . 1 .]" 1
518 1 146 ARG HA 1 149 VAL QG 2.840 . 4.516 2.885 2.250 3.347 . 0 0 "[ . 1 .]" 1
519 1 15 ILE MD 1 62 VAL HA 5.390 . 8.492 4.052 3.827 4.620 . 0 0 "[ . 1 .]" 1
520 1 13 THR HA 1 15 ILE MD 6.883 . 10.732 6.215 5.929 6.584 . 0 0 "[ . 1 .]" 1
521 1 15 ILE MD 1 54 ILE HA 4.369 . 6.958 5.327 4.501 5.725 . 0 0 "[ . 1 .]" 1
522 1 22 ASN HB2 1 101 LEU QD 3.034 . 4.371 3.111 2.452 3.380 . 0 0 "[ . 1 .]" 1
523 1 22 ASN HB3 1 101 LEU QD 2.914 . 4.441 2.821 2.349 3.105 . 0 0 "[ . 1 .]" 1
524 1 46 ALA HA 1 46 ALA MB 2.183 . 3.678 2.120 2.109 2.134 . 0 0 "[ . 1 .]" 1
525 1 95 ALA HA 1 95 ALA MB 2.060 . 3.493 2.125 2.097 2.150 . 0 0 "[ . 1 .]" 1
526 1 97 ALA HA 1 97 ALA MB 2.063 . 3.498 2.147 2.128 2.177 . 0 0 "[ . 1 .]" 1
527 1 121 ALA HA 1 121 ALA MB 1.980 . 3.373 2.146 2.134 2.158 . 0 0 "[ . 1 .]" 1
528 1 141 ALA HA 1 141 ALA MB 1.957 . 3.337 2.131 2.114 2.152 . 0 0 "[ . 1 .]" 1
529 1 142 ALA HA 1 142 ALA MB 2.063 . 3.498 2.139 2.112 2.161 . 0 0 "[ . 1 .]" 1
530 1 147 ALA HA 1 147 ALA MB 1.971 . 3.359 2.138 2.129 2.143 . 0 0 "[ . 1 .]" 1
531 1 26 VAL MG1 1 26 VAL MG2 1.927 . 4.274 2.102 2.047 2.164 . 0 0 "[ . 1 .]" 1
532 1 62 VAL MG1 1 62 VAL MG2 1.994 . 4.395 2.104 2.064 2.164 . 0 0 "[ . 1 .]" 1
533 1 149 VAL MG1 1 149 VAL MG2 2.092 . 4.571 2.053 2.013 2.098 . 0 0 "[ . 1 .]" 1
534 1 79 LEU MD1 1 79 LEU MD2 2.007 . 4.418 2.093 2.055 2.123 . 0 0 "[ . 1 .]" 1
535 1 101 LEU MD1 1 101 LEU MD2 2.105 . 4.595 2.089 2.032 2.146 . 0 0 "[ . 1 .]" 1
536 1 13 THR HA 1 14 ILE H 2.206 . 2.757 2.175 2.131 2.225 . 0 0 "[ . 1 .]" 1
537 1 16 SER HA 1 17 ALA H 2.898 . 3.622 2.186 2.122 2.262 . 0 0 "[ . 1 .]" 1
538 1 63 VAL HA 1 64 THR H 2.445 . 3.056 2.221 2.157 2.304 . 0 0 "[ . 1 .]" 1
539 1 15 ILE HA 1 15 ILE HB 2.595 . 3.244 2.994 2.945 3.034 . 0 0 "[ . 1 .]" 1
540 1 41 VAL HA 1 41 VAL HB 2.219 . 2.774 2.477 2.344 2.980 0.206 1 0 "[ . 1 .]" 1
541 1 54 ILE HA 1 54 ILE HB 2.356 . 2.946 2.500 2.460 2.550 . 0 0 "[ . 1 .]" 1
542 1 63 VAL HA 1 63 VAL HB 2.441 . 3.052 2.746 2.286 3.040 . 0 0 "[ . 1 .]" 1
543 1 104 THR HA 1 104 THR HB 2.198 . 2.747 2.712 2.447 2.979 0.232 8 0 "[ . 1 .]" 1
544 1 132 VAL HA 1 132 VAL HB 2.316 . 2.894 2.901 2.154 3.026 0.132 10 0 "[ . 1 .]" 1
545 1 136 VAL HA 1 136 VAL HB 2.324 . 2.905 2.596 2.360 3.022 0.117 13 0 "[ . 1 .]" 1
546 1 149 VAL HA 1 149 VAL HB 2.227 . 2.984 2.684 2.239 3.026 0.042 4 0 "[ . 1 .]" 1
547 1 77 VAL HA 1 80 HIS HB3 2.795 . 3.494 3.319 3.084 3.440 . 0 0 "[ . 1 .]" 1
548 1 34 LEU MD2 1 149 VAL QG 3.352 . 5.697 2.808 2.243 3.626 . 0 0 "[ . 1 .]" 1
549 1 34 LEU HA 1 37 ALA MB 1.796 . 3.096 2.251 2.176 2.296 . 0 0 "[ . 1 .]" 1
550 1 37 ALA MB 1 154 LYS QE 3.232 . 5.251 3.173 2.333 3.903 . 0 0 "[ . 1 .]" 1
551 1 74 GLU HA 1 77 VAL MG2 2.107 . 3.563 2.518 2.018 3.959 0.396 11 0 "[ . 1 .]" 1
552 1 149 VAL QG 1 153 LEU MD1 2.486 . 5.282 2.885 2.067 3.936 . 0 0 "[ . 1 .]" 1
553 1 77 VAL HA 1 80 HIS HB2 2.735 . 3.418 3.557 3.432 3.684 0.266 12 0 "[ . 1 .]" 1
554 1 79 LEU HA 1 82 PHE QB 2.946 . 4.833 2.371 2.223 2.517 . 0 0 "[ . 1 .]" 1
555 1 83 LEU QD 1 120 LEU MD2 2.833 . 5.907 3.138 2.174 4.962 . 0 0 "[ . 1 .]" 1
556 1 129 LEU MD1 1 148 ARG QD 2.636 . 5.542 3.090 2.003 3.987 . 0 0 "[ . 1 .]" 1
557 1 129 LEU MD2 1 148 ARG QD 2.488 . 5.293 3.419 2.192 3.989 . 0 0 "[ . 1 .]" 1
558 1 129 LEU MD1 1 148 ARG HB3 2.435 . 4.055 2.282 2.010 3.425 . 0 0 "[ . 1 .]" 1
559 1 129 LEU MD2 1 148 ARG HB3 2.554 . 4.233 3.190 2.164 3.938 . 0 0 "[ . 1 .]" 1
560 1 26 VAL QG 1 142 ALA MB 2.194 . 4.755 1.844 1.704 2.020 . 0 0 "[ . 1 .]" 1
561 1 26 VAL HB 1 142 ALA MB 2.642 . 4.366 3.067 2.152 3.740 . 0 0 "[ . 1 .]" 1
562 1 60 LEU MD1 1 96 PHE HA 3.126 . 5.092 4.604 4.064 5.389 0.297 2 0 "[ . 1 .]" 1
563 1 21 GLY HA2 1 24 ARG QB 2.502 . 4.210 2.822 2.528 2.977 . 0 0 "[ . 1 .]" 1
564 1 21 GLY HA3 1 24 ARG QB 2.568 . 4.303 3.628 3.509 3.778 . 0 0 "[ . 1 .]" 1
565 1 23 ALA MB 1 63 VAL MG1 2.344 . 5.025 2.667 1.908 3.499 . 0 0 "[ . 1 .]" 1
566 1 26 VAL HA 1 29 ALA MB 2.758 . 4.540 2.674 2.582 2.804 . 0 0 "[ . 1 .]" 1
567 1 80 HIS HE1 1 119 LYS HB2 3.136 . 3.920 2.798 2.468 3.675 . 0 0 "[ . 1 .]" 1
568 1 82 PHE QD 1 83 LEU QD 2.496 . 6.607 2.576 2.183 3.183 . 0 0 "[ . 1 .]" 1
569 1 82 PHE QE 1 83 LEU QD 2.721 . 6.984 2.900 2.600 3.471 . 0 0 "[ . 1 .]" 1
570 1 96 PHE QE 1 125 GLY HA2 3.300 . 4.124 4.093 3.965 4.163 0.039 10 0 "[ . 1 .]" 1
571 1 96 PHE QE 1 126 GLU HA 3.009 . 3.761 3.739 3.564 3.889 0.128 1 0 "[ . 1 .]" 1
572 1 26 VAL QG 1 99 PHE QD 2.750 . 7.035 3.168 2.261 3.700 . 0 0 "[ . 1 .]" 1
573 1 99 PHE QE 1 141 ALA MB 2.564 . 6.721 2.250 2.046 2.529 . 0 0 "[ . 1 .]" 1
574 1 69 GLU HA 1 108 PHE QD 2.762 . 5.875 2.990 2.514 4.110 . 0 0 "[ . 1 .]" 1
575 1 132 VAL MG2 1 145 TRP HD1 2.135 . 4.333 2.533 2.154 4.211 . 0 0 "[ . 1 .]" 1
576 1 145 TRP HE3 1 146 ARG HB2 2.990 . 3.738 2.682 2.328 2.984 . 0 0 "[ . 1 .]" 1
577 1 61 ILE MG 1 145 TRP HZ2 2.412 . 4.020 2.141 2.062 2.359 . 0 0 "[ . 1 .]" 1
578 1 30 LEU QB 1 145 TRP HZ3 3.430 . 5.513 2.447 2.245 2.820 . 0 0 "[ . 1 .]" 1
579 1 49 TYR QE 1 54 ILE MG 2.924 . 7.327 4.937 4.013 5.467 . 0 0 "[ . 1 .]" 1
580 1 44 VAL MG2 1 49 TYR QE 2.273 . 6.230 3.248 2.769 4.137 . 0 0 "[ . 1 .]" 1
581 1 49 TYR QE 1 54 ILE MD 2.482 . 6.581 2.563 2.234 3.863 . 0 0 "[ . 1 .]" 1
582 1 121 ALA H 1 125 GLY H 3.679 . 4.599 4.689 4.564 4.792 0.193 4 0 "[ . 1 .]" 1
583 1 120 LEU MD2 1 121 ALA H 3.136 . 5.107 4.483 4.321 4.726 . 0 0 "[ . 1 .]" 1
584 1 121 ALA H 1 121 ALA MB 2.220 . 3.733 2.125 2.064 2.180 . 0 0 "[ . 1 .]" 1
585 1 106 TYR QD 2 1 FMN H1'1 3.626 . 7.088 5.079 4.132 6.225 . 0 0 "[ . 1 .]" 1
586 1 106 TYR QE 2 1 FMN H1'1 3.042 . 6.268 4.333 2.711 5.637 . 0 0 "[ . 1 .]" 1
587 1 106 TYR QD 2 1 FMN H6 3.797 . 7.100 4.462 3.167 5.875 . 0 0 "[ . 1 .]" 1
588 1 106 TYR QE 2 1 FMN H6 2.980 . 6.181 3.312 2.645 5.080 . 0 0 "[ . 1 .]" 1
589 1 67 GLN HA 2 1 FMN H6 3.069 . 3.836 3.585 3.216 3.989 0.153 15 0 "[ . 1 .]" 1
590 1 68 GLY HA2 2 1 FMN H6 2.790 . 3.488 2.475 2.148 2.866 . 0 0 "[ . 1 .]" 1
591 1 80 HIS HD2 1 115 ASP HB3 3.221 . 4.026 4.102 4.049 4.223 0.197 10 0 "[ . 1 .]" 1
592 1 80 HIS HB3 1 80 HIS HD2 2.842 . 3.553 3.669 3.576 3.827 0.274 10 0 "[ . 1 .]" 1
593 1 80 HIS HB2 1 80 HIS HD2 3.034 . 3.792 2.657 2.606 2.742 . 0 0 "[ . 1 .]" 1
594 1 80 HIS HA 1 80 HIS HD2 2.757 . 3.446 3.694 3.578 3.816 0.370 5 0 "[ . 1 .]" 1
595 1 80 HIS HD2 1 116 PHE HA 3.741 . 4.676 3.635 2.920 4.023 . 0 0 "[ . 1 .]" 1
596 1 80 HIS HD2 1 115 ASP HB2 3.200 . 4.000 3.461 3.332 3.701 . 0 0 "[ . 1 .]" 1
597 1 80 HIS HE1 1 119 LYS HB3 3.159 . 3.949 3.519 2.908 4.044 0.095 14 0 "[ . 1 .]" 1
598 1 80 HIS HE1 1 115 ASP HA 2.933 . 3.667 3.884 3.762 3.964 0.297 14 0 "[ . 1 .]" 1
599 1 80 HIS HE1 1 115 ASP HB3 2.874 . 3.592 2.661 2.482 2.834 . 0 0 "[ . 1 .]" 1
600 1 80 HIS HE1 1 115 ASP HB2 3.154 . 3.942 3.981 3.800 4.086 0.144 14 0 "[ . 1 .]" 1
601 1 51 PHE HB3 1 51 PHE QD 2.445 . 5.431 2.375 2.347 2.424 . 0 0 "[ . 1 .]" 1
602 1 51 PHE HB2 1 51 PHE QD 2.462 . 5.454 2.534 2.422 2.597 . 0 0 "[ . 1 .]" 1
603 1 51 PHE HA 1 51 PHE QD 2.545 . 5.571 3.779 3.572 3.822 . 0 0 "[ . 1 .]" 1
604 1 46 ALA HA 1 51 PHE QD 2.744 . 5.849 4.117 3.975 4.742 . 0 0 "[ . 1 .]" 1
605 1 51 PHE QD 1 79 LEU HA 2.893 . 6.059 3.702 2.929 4.153 . 0 0 "[ . 1 .]" 1
606 1 51 PHE QD 1 82 PHE QE 2.990 . 8.709 3.225 2.684 4.596 . 0 0 "[ . 1 .]" 1
607 1 49 TYR QD 1 51 PHE QD 2.724 . 8.291 3.719 2.853 4.187 . 0 0 "[ . 1 .]" 1
608 1 49 TYR QE 1 51 PHE QD 3.195 . 9.031 5.108 4.754 5.656 . 0 0 "[ . 1 .]" 1
609 1 51 PHE QD 1 79 LEU MD1 3.200 . 7.792 3.293 2.835 4.686 . 0 0 "[ . 1 .]" 1
610 1 51 PHE QD 1 78 ALA MB 2.703 . 6.955 4.682 4.098 5.141 . 0 0 "[ . 1 .]" 1
611 1 51 PHE QD 1 82 PHE QD 2.932 . 8.617 3.131 2.618 4.850 . 0 0 "[ . 1 .]" 1
612 1 51 PHE QE 1 78 ALA MB 1.991 . 5.755 2.826 2.276 3.271 . 0 0 "[ . 1 .]" 1
613 1 51 PHE HZ 1 78 ALA MB 2.281 . 3.825 2.406 2.157 2.734 . 0 0 "[ . 1 .]" 1
614 1 52 LYS HA 1 82 PHE QD 3.318 . 6.655 5.000 4.334 5.341 . 0 0 "[ . 1 .]" 1
615 1 82 PHE QD 1 88 ALA HA 2.819 . 5.955 4.189 3.500 5.689 . 0 0 "[ . 1 .]" 1
616 1 82 PHE QD 1 83 LEU HA 3.162 . 6.436 3.797 3.138 4.266 . 0 0 "[ . 1 .]" 1
617 1 82 PHE H 1 82 PHE QD 2.869 . 6.026 4.109 3.964 4.211 . 0 0 "[ . 1 .]" 1
618 1 82 PHE QD 1 83 LEU H 2.897 . 6.065 3.194 2.726 3.611 . 0 0 "[ . 1 .]" 1
619 1 82 PHE QE 1 89 PRO HD2 3.128 . 6.389 3.156 2.621 3.893 . 0 0 "[ . 1 .]" 1
620 1 52 LYS HA 1 82 PHE QE 2.727 . 5.826 3.597 2.757 4.017 . 0 0 "[ . 1 .]" 1
621 1 82 PHE QE 1 88 ALA HA 2.846 . 5.993 3.460 2.959 4.347 . 0 0 "[ . 1 .]" 1
622 1 82 PHE QE 1 87 LYS HB2 2.889 . 6.053 4.384 2.993 6.906 0.853 15 1 "[ . 1 +]" 1
623 1 52 LYS HA 1 82 PHE HZ 2.630 . 3.288 3.334 2.888 3.469 0.181 14 0 "[ . 1 .]" 1
624 1 82 PHE HZ 1 89 PRO HD2 2.996 . 3.745 2.866 2.231 3.818 0.073 12 0 "[ . 1 .]" 1
625 1 82 PHE HZ 1 89 PRO HD3 3.104 . 3.881 2.651 2.258 4.055 0.174 10 0 "[ . 1 .]" 1
626 1 82 PHE HZ 1 83 LEU QD 3.318 . 5.381 4.400 4.156 4.665 . 0 0 "[ . 1 .]" 1
627 1 82 PHE HZ 1 88 ALA HA 2.890 . 3.613 3.721 3.091 4.079 0.466 15 0 "[ . 1 .]" 1
628 1 51 PHE QD 1 82 PHE HZ 3.495 . 6.904 4.602 3.484 5.418 . 0 0 "[ . 1 .]" 1
629 1 84 PHE H 1 84 PHE QD 2.583 . 5.624 4.188 4.005 4.342 . 0 0 "[ . 1 .]" 1
630 1 84 PHE HB2 1 84 PHE QD 2.523 . 5.540 2.461 2.280 2.721 . 0 0 "[ . 1 .]" 1
631 1 84 PHE HB3 1 84 PHE QD 2.498 . 5.505 2.501 2.315 2.721 . 0 0 "[ . 1 .]" 1
632 1 84 PHE H 1 84 PHE QE 3.546 . 6.975 6.227 6.007 6.365 . 0 0 "[ . 1 .]" 1
633 1 96 PHE HD1 1 127 ARG HA 3.459 . 4.324 3.444 3.359 3.548 . 0 0 "[ . 1 .]" 1
634 1 95 ALA MB 1 96 PHE HD1 3.062 . 4.997 4.206 4.127 4.248 . 0 0 "[ . 1 .]" 1
635 1 96 PHE H 1 96 PHE HD1 2.850 . 3.562 2.281 2.195 2.407 . 0 0 "[ . 1 .]" 1
636 1 95 ALA HA 1 96 PHE HD1 3.282 . 4.103 2.975 2.897 3.102 . 0 0 "[ . 1 .]" 1
637 1 96 PHE HD1 1 126 GLU HA 3.275 . 4.094 4.299 4.250 4.335 0.241 10 0 "[ . 1 .]" 1
638 1 96 PHE HD2 1 117 ASP HA 3.512 . 4.389 4.180 3.897 4.412 0.023 3 0 "[ . 1 .]" 1
639 1 96 PHE HD2 1 97 ALA HA 3.100 . 3.875 3.180 3.090 3.265 . 0 0 "[ . 1 .]" 1
640 1 96 PHE HD2 1 97 ALA H 3.209 . 4.011 3.170 3.060 3.274 . 0 0 "[ . 1 .]" 1
641 1 96 PHE HD2 1 120 LEU MD1 2.674 . 4.414 3.589 2.372 5.002 0.588 11 2 "[ . -1+ .]" 1
642 1 96 PHE QE 1 127 ARG HB2 3.195 . 3.993 3.816 3.085 4.434 0.441 6 0 "[ . 1 .]" 1
643 1 96 PHE QE 1 120 LEU MD2 3.694 . 5.945 3.370 2.523 3.961 . 0 0 "[ . 1 .]" 1
644 1 96 PHE QE 1 127 ARG HA 3.416 . 4.270 3.370 3.138 3.656 . 0 0 "[ . 1 .]" 1
645 1 96 PHE QE 1 121 ALA HA 2.788 . 3.485 2.949 2.819 3.161 . 0 0 "[ . 1 .]" 1
646 1 96 PHE QE 1 125 GLY HA3 3.149 . 3.936 2.777 2.612 2.910 . 0 0 "[ . 1 .]" 1
647 1 96 PHE QE 1 121 ALA MB 2.651 . 4.380 3.233 3.142 3.287 . 0 0 "[ . 1 .]" 1
648 1 96 PHE QE 1 120 LEU HB3 3.877 . 4.846 3.039 2.624 3.463 . 0 0 "[ . 1 .]" 1
649 1 96 PHE QE 1 125 GLY H 3.365 . 4.206 3.848 3.595 4.109 . 0 0 "[ . 1 .]" 1
650 1 96 PHE QE 1 97 ALA HA 3.613 . 4.516 4.379 4.199 4.498 . 0 0 "[ . 1 .]" 1
651 1 96 PHE QE 1 117 ASP HA 2.590 . 3.238 2.349 2.207 2.503 . 0 0 "[ . 1 .]" 1
652 1 96 PHE QE 1 98 VAL QG 2.637 . 3.296 2.569 2.428 2.665 . 0 0 "[ . 1 .]" 1
653 1 96 PHE HZ 1 121 ALA HA 3.341 . 4.176 3.321 3.159 3.454 . 0 0 "[ . 1 .]" 1
654 1 96 PHE HZ 1 121 ALA MB 2.331 . 3.899 2.152 2.082 2.206 . 0 0 "[ . 1 .]" 1
655 1 96 PHE HZ 1 120 LEU MD1 2.850 . 4.678 4.239 3.794 4.833 0.155 14 0 "[ . 1 .]" 1
656 1 96 PHE HZ 1 120 LEU MD2 3.356 . 5.439 4.123 3.633 4.544 . 0 0 "[ . 1 .]" 1
657 1 99 PHE H 1 99 PHE QD 3.528 . 6.951 4.279 4.175 4.384 . 0 0 "[ . 1 .]" 1
658 1 99 PHE QD 1 141 ALA MB 3.337 . 8.022 4.141 3.970 4.374 . 0 0 "[ . 1 .]" 1
659 1 99 PHE QD 1 101 LEU HG 3.307 . 6.640 4.423 3.206 6.005 . 0 0 "[ . 1 .]" 1
660 1 99 PHE QD 1 145 TRP HB2 3.454 . 6.846 2.872 2.630 4.358 . 0 0 "[ . 1 .]" 1
661 1 99 PHE QD 1 100 SER HA 3.314 . 6.650 3.872 3.455 4.476 . 0 0 "[ . 1 .]" 1
662 1 99 PHE QD 1 142 ALA MB 3.265 . 7.902 4.184 3.837 4.564 . 0 0 "[ . 1 .]" 1
663 1 99 PHE QD 1 134 ALA MB 3.479 . 8.263 3.908 3.647 4.141 . 0 0 "[ . 1 .]" 1
664 1 99 PHE QD 1 101 LEU QD 3.077 . 6.531 2.469 2.181 3.273 . 0 0 "[ . 1 .]" 1
665 1 63 VAL MG2 1 99 PHE QD 2.910 . 7.304 4.017 2.792 4.707 . 0 0 "[ . 1 .]" 1
666 1 99 PHE HB2 1 99 PHE QD 2.746 . 5.852 2.446 2.325 2.794 . 0 0 "[ . 1 .]" 1
667 1 99 PHE QD 1 132 VAL HB 2.615 . 5.669 2.593 2.198 4.386 . 0 0 "[ . 1 .]" 1
668 1 63 VAL MG1 1 99 PHE QD 2.448 . 5.435 2.432 1.982 3.255 . 0 0 "[ . 1 .]" 1
669 1 99 PHE QD 1 132 VAL MG1 2.547 . 6.692 2.510 2.315 2.925 . 0 0 "[ . 1 .]" 1
670 1 99 PHE QD 1 132 VAL MG2 2.624 . 6.731 3.129 2.104 3.819 . 0 0 "[ . 1 .]" 1
671 1 99 PHE HA 1 99 PHE QD 2.790 . 5.915 2.809 2.187 3.036 . 0 0 "[ . 1 .]" 1
672 1 63 VAL HA 1 99 PHE QD 3.255 . 6.567 3.723 3.299 4.353 . 0 0 "[ . 1 .]" 1
673 1 99 PHE QE 1 142 ALA HA 2.417 . 5.391 2.928 2.747 3.090 . 0 0 "[ . 1 .]" 1
674 1 99 PHE QE 1 132 VAL MG1 2.350 . 6.360 2.448 2.152 3.882 . 0 0 "[ . 1 .]" 1
675 1 99 PHE QE 1 101 LEU QD 2.600 . 6.700 2.109 1.886 2.784 . 0 0 "[ . 1 .]" 1
676 1 26 VAL QG 1 99 PHE QE 2.900 . 7.082 2.771 2.038 3.057 . 0 0 "[ . 1 .]" 1
677 1 99 PHE QE 1 145 TRP HB2 3.050 . 6.279 3.097 2.432 4.393 . 0 0 "[ . 1 .]" 1
678 1 99 PHE QE 1 101 LEU HG 2.723 . 5.821 3.399 2.216 5.135 . 0 0 "[ . 1 .]" 1
679 1 99 PHE QE 1 134 ALA MB 2.659 . 6.881 2.703 2.001 3.199 . 0 0 "[ . 1 .]" 1
680 1 99 PHE QE 1 142 ALA MB 2.571 . 6.732 2.882 2.236 3.240 . 0 0 "[ . 1 .]" 1
681 1 99 PHE QE 1 145 TRP HB3 3.249 . 6.558 3.350 2.834 4.496 . 0 0 "[ . 1 .]" 1
682 1 99 PHE HZ 1 132 VAL MG1 3.016 . 4.928 4.197 3.827 5.871 0.943 11 1 "[ . 1+ .]" 1
683 1 99 PHE HZ 1 134 ALA MB 2.500 . 4.153 2.522 2.363 2.923 . 0 0 "[ . 1 .]" 1
684 1 99 PHE HZ 1 141 ALA MB 2.543 . 4.218 2.344 2.286 2.401 . 0 0 "[ . 1 .]" 1
685 1 99 PHE HZ 1 142 ALA MB 2.464 . 4.100 2.711 2.544 2.916 . 0 0 "[ . 1 .]" 1
686 1 99 PHE HZ 1 101 LEU QD 3.440 . 5.071 3.396 2.981 3.822 . 0 0 "[ . 1 .]" 1
687 1 99 PHE HZ 1 138 TYR HB3 3.608 . 4.510 4.644 4.236 5.213 0.703 1 1 "[+ . 1 .]" 1
688 1 99 PHE HZ 1 141 ALA HA 3.611 . 4.513 4.746 4.536 4.891 0.378 10 0 "[ . 1 .]" 1
689 1 99 PHE HZ 1 142 ALA HA 2.631 . 3.289 3.103 2.836 3.331 0.042 4 0 "[ . 1 .]" 1
690 1 108 PHE HA 1 108 PHE QD 2.655 . 5.726 2.747 2.437 3.148 . 0 0 "[ . 1 .]" 1
691 1 107 GLU HG3 1 108 PHE QD 2.996 . 6.203 4.832 3.611 5.575 . 0 0 "[ . 1 .]" 1
692 1 102 GLY HA2 1 109 PHE QD 3.711 . 7.207 4.238 3.856 4.776 . 0 0 "[ . 1 .]" 1
693 1 109 PHE QD 1 135 ASP HA 2.419 . 5.394 4.461 3.333 4.806 . 0 0 "[ . 1 .]" 1
694 1 109 PHE QD 1 135 ASP HB2 3.691 . 7.179 5.608 4.835 5.795 . 0 0 "[ . 1 .]" 1
695 1 103 ASP HA 1 109 PHE QD 2.778 . 5.898 3.847 3.421 4.113 . 0 0 "[ . 1 .]" 1
696 1 109 PHE QD 1 133 ASP HB2 3.003 . 6.213 4.677 3.954 5.924 . 0 0 "[ . 1 .]" 1
697 1 109 PHE QD 1 133 ASP HB3 3.022 . 6.240 5.200 3.170 5.844 . 0 0 "[ . 1 .]" 1
698 1 104 THR HB 1 109 PHE QD 3.259 . 6.572 4.663 3.446 5.360 . 0 0 "[ . 1 .]" 1
699 1 109 PHE QD 1 135 ASP HB3 3.189 . 6.474 5.588 4.845 6.689 0.215 2 0 "[ . 1 .]" 1
700 1 109 PHE QD 1 136 VAL MG1 3.224 . 7.832 6.054 4.801 7.731 . 0 0 "[ . 1 .]" 1
701 1 109 PHE QD 1 110 CYS HB2 3.753 . 7.266 3.839 3.180 4.072 . 0 0 "[ . 1 .]" 1
702 1 109 PHE HA 1 109 PHE QD 2.412 . 5.384 2.427 2.272 3.685 . 0 0 "[ . 1 .]" 1
703 1 104 THR HA 1 109 PHE QD 2.470 . 5.465 2.945 2.428 3.446 . 0 0 "[ . 1 .]" 1
704 1 109 PHE HB3 1 109 PHE QD 2.693 . 5.779 2.380 2.321 2.651 . 0 0 "[ . 1 .]" 1
705 1 109 PHE HB2 1 109 PHE QD 2.726 . 5.825 2.733 2.368 2.806 . 0 0 "[ . 1 .]" 1
706 1 80 HIS HD2 1 116 PHE QD 3.795 . 7.325 3.056 2.842 3.351 . 0 0 "[ . 1 .]" 1
707 1 113 GLY HA3 1 116 PHE QD 3.189 . 6.474 5.257 4.620 5.645 . 0 0 "[ . 1 .]" 1
708 1 62 VAL QG 1 116 PHE QD 2.980 . 7.421 3.272 2.784 3.739 . 0 0 "[ . 1 .]" 1
709 1 116 PHE HB2 1 116 PHE QD 2.954 . 6.145 2.427 2.390 2.458 . 0 0 "[ . 1 .]" 1
710 1 64 THR MG 1 116 PHE QD 2.420 . 6.477 2.232 2.093 2.371 . 0 0 "[ . 1 .]" 1
711 1 62 VAL QG 1 116 PHE QE 3.183 . 7.764 3.601 3.033 4.205 . 0 0 "[ . 1 .]" 1
712 1 80 HIS HB2 1 116 PHE QE 3.077 . 6.318 3.392 2.660 4.307 . 0 0 "[ . 1 .]" 1
713 1 80 HIS HD2 1 116 PHE QE 2.618 . 5.673 3.048 2.862 3.572 . 0 0 "[ . 1 .]" 1
714 1 80 HIS HB3 1 116 PHE QE 2.781 . 5.901 4.774 4.291 5.766 . 0 0 "[ . 1 .]" 1
715 1 76 ALA HA 1 116 PHE QE 2.400 . 5.367 4.859 4.567 5.048 . 0 0 "[ . 1 .]" 1
716 1 17 ALA H 1 64 THR HA 2.956 . 3.695 3.030 2.674 3.363 . 0 0 "[ . 1 .]" 1
717 1 63 VAL HA 1 64 THR HA 3.621 . 4.527 4.526 4.455 4.585 0.058 6 0 "[ . 1 .]" 1
718 1 62 VAL QG 1 64 THR HA 3.044 . 4.969 4.063 3.971 4.148 . 0 0 "[ . 1 .]" 1
719 1 63 VAL MG2 1 64 THR HA 3.700 . 5.955 5.139 4.330 5.741 . 0 0 "[ . 1 .]" 1
720 1 23 ALA MB 1 64 THR HA 2.785 . 4.581 3.589 3.375 3.788 . 0 0 "[ . 1 .]" 1
721 1 64 THR H 1 64 THR HA 2.981 . 3.727 3.015 2.956 3.044 . 0 0 "[ . 1 .]" 1
722 1 64 THR HA 1 101 LEU QD 3.690 . 5.940 4.495 4.237 4.724 . 0 0 "[ . 1 .]" 1
723 1 64 THR HA 1 64 THR MG 2.600 . 4.302 3.296 3.273 3.325 . 0 0 "[ . 1 .]" 1
724 1 64 THR HA 1 73 PRO QB 3.303 . 4.129 4.219 3.895 4.393 0.264 15 0 "[ . 1 .]" 1
725 1 99 PHE QE 1 145 TRP HD1 3.878 . 7.442 5.073 4.196 5.646 . 0 0 "[ . 1 .]" 1
726 1 145 TRP HB3 1 145 TRP HD1 3.495 . 4.369 3.818 3.766 3.852 . 0 0 "[ . 1 .]" 1
727 1 99 PHE QD 1 145 TRP HD1 3.360 . 6.715 3.455 2.807 4.539 . 0 0 "[ . 1 .]" 1
728 1 145 TRP HD1 1 149 VAL QG 3.124 . 5.089 3.683 3.383 3.950 . 0 0 "[ . 1 .]" 1
729 1 145 TRP HB2 1 145 TRP HD1 3.069 . 3.836 2.738 2.639 2.810 . 0 0 "[ . 1 .]" 1
730 1 129 LEU MD2 1 145 TRP HD1 2.807 . 4.614 2.455 1.977 3.844 . 0 0 "[ . 1 .]" 1
731 1 99 PHE HB2 1 145 TRP HD1 3.344 . 4.181 4.040 3.645 4.230 0.049 1 0 "[ . 1 .]" 1
732 1 129 LEU MD1 1 145 TRP HD1 2.534 . 4.204 3.480 2.496 3.847 . 0 0 "[ . 1 .]" 1
733 1 145 TRP HA 1 145 TRP HD1 2.550 . 3.187 2.952 2.795 3.110 . 0 0 "[ . 1 .]" 1
734 1 145 TRP HE1 1 149 VAL QG 2.930 . 4.799 2.944 2.580 3.215 . 0 0 "[ . 1 .]" 1
735 1 129 LEU MD1 1 145 TRP HE1 2.655 . 4.385 3.754 3.069 4.212 . 0 0 "[ . 1 .]" 1
736 1 132 VAL MG1 1 145 TRP HE1 3.999 . 6.403 5.100 3.828 5.344 . 0 0 "[ . 1 .]" 1
737 1 129 LEU MD2 1 145 TRP HE1 2.980 . 4.873 3.092 2.105 4.160 . 0 0 "[ . 1 .]" 1
738 1 132 VAL MG2 1 145 TRP HE1 2.851 . 4.680 3.986 3.792 5.132 0.452 11 0 "[ . 1 .]" 1
739 1 97 ALA MB 1 145 TRP HE1 2.897 . 4.749 2.794 2.296 3.213 . 0 0 "[ . 1 .]" 1
740 1 145 TRP HA 1 145 TRP HE1 3.863 . 4.829 5.034 4.900 5.118 0.289 8 0 "[ . 1 .]" 1
741 1 99 PHE QD 1 145 TRP HE1 3.691 . 7.179 4.234 3.515 4.903 . 0 0 "[ . 1 .]" 1
742 1 61 ILE MG 1 145 TRP HE1 3.847 . 6.175 4.568 4.358 4.776 . 0 0 "[ . 1 .]" 1
743 1 26 VAL QG 1 145 TRP HE3 2.924 . 3.655 3.007 2.720 3.163 . 0 0 "[ . 1 .]" 1
744 1 145 TRP HE3 1 146 ARG H 2.827 . 3.534 2.612 2.476 2.788 . 0 0 "[ . 1 .]" 1
745 1 145 TRP HE3 1 149 VAL QG 3.556 . 5.738 4.040 3.737 4.339 . 0 0 "[ . 1 .]" 1
746 1 145 TRP HE3 1 146 ARG HA 2.919 . 3.649 2.821 2.601 3.151 . 0 0 "[ . 1 .]" 1
747 1 30 LEU QD 1 145 TRP HE3 3.249 . 4.061 2.847 2.722 2.994 . 0 0 "[ . 1 .]" 1
748 1 145 TRP HH2 1 149 VAL QG 3.598 . 5.392 3.754 3.592 3.872 . 0 0 "[ . 1 .]" 1
749 1 61 ILE MG 1 145 TRP HH2 2.381 . 3.975 2.084 2.000 2.211 . 0 0 "[ . 1 .]" 1
750 1 99 PHE HB3 1 145 TRP HZ2 3.412 . 4.265 3.748 3.135 4.468 0.203 6 0 "[ . 1 .]" 1
751 1 145 TRP HZ2 1 149 VAL QG 2.605 . 4.310 3.099 2.395 3.475 . 0 0 "[ . 1 .]" 1
752 1 97 ALA MB 1 145 TRP HZ2 2.539 . 5.000 3.631 3.193 4.020 . 0 0 "[ . 1 .]" 1
753 1 61 ILE MD 1 145 TRP HZ2 2.678 . 3.347 2.387 2.168 2.522 . 0 0 "[ . 1 .]" 1
754 1 145 TRP HZ3 1 149 VAL QG 3.479 . 5.623 4.020 3.840 4.168 . 0 0 "[ . 1 .]" 1
755 1 145 TRP HZ3 1 146 ARG H 3.704 . 4.630 4.738 4.576 4.855 0.225 9 0 "[ . 1 .]" 1
756 1 63 VAL MG1 1 145 TRP HZ3 3.275 . 5.317 4.106 3.107 5.030 . 0 0 "[ . 1 .]" 1
757 1 30 LEU QD 1 145 TRP HZ3 3.086 . 3.858 2.039 1.979 2.075 . 0 0 "[ . 1 .]" 1
758 1 26 VAL QG 1 145 TRP HZ3 2.646 . 4.372 2.442 2.240 2.697 . 0 0 "[ . 1 .]" 1
759 1 61 ILE MG 1 145 TRP HZ3 2.941 . 4.815 4.055 3.972 4.108 . 0 0 "[ . 1 .]" 1
760 1 145 TRP HZ3 1 146 ARG HB2 3.086 . 3.858 3.351 2.800 3.712 . 0 0 "[ . 1 .]" 1
761 1 142 ALA MB 1 145 TRP HZ3 3.586 . 5.784 4.578 4.339 4.697 . 0 0 "[ . 1 .]" 1
762 1 49 TYR QD 1 51 PHE QE 2.752 . 8.335 5.593 5.009 6.039 . 0 0 "[ . 1 .]" 1
763 1 15 ILE MG 1 49 TYR QD 3.121 . 7.659 2.503 2.190 3.606 . 0 0 "[ . 1 .]" 1
764 1 46 ALA HA 1 49 TYR QD 2.941 . 6.127 3.517 3.177 4.422 . 0 0 "[ . 1 .]" 1
765 1 49 TYR QD 1 54 ILE HB 2.851 . 6.000 4.821 3.989 5.486 . 0 0 "[ . 1 .]" 1
766 1 49 TYR HA 1 49 TYR QD 2.218 . 5.112 2.177 2.066 2.491 . 0 0 "[ . 1 .]" 1
767 1 49 TYR QD 1 51 PHE HA 2.476 . 5.474 3.245 2.603 3.733 . 0 0 "[ . 1 .]" 1
768 1 15 ILE MD 1 49 TYR QD 2.696 . 6.942 2.224 2.115 2.575 . 0 0 "[ . 1 .]" 1
769 1 44 VAL MG2 1 49 TYR QD 2.367 . 6.388 2.723 2.386 3.656 . 0 0 "[ . 1 .]" 1
770 1 49 TYR HA 1 49 TYR QE 2.874 . 6.032 4.328 4.158 4.398 . 0 0 "[ . 1 .]" 1
771 1 49 TYR QE 1 51 PHE HA 2.218 . 5.112 3.015 2.521 3.930 . 0 0 "[ . 1 .]" 1
772 1 49 TYR QE 1 51 PHE HB3 2.978 . 6.178 3.741 3.496 4.328 . 0 0 "[ . 1 .]" 1
773 1 15 ILE MD 1 49 TYR QE 2.615 . 6.806 2.343 2.082 3.103 . 0 0 "[ . 1 .]" 1
774 1 49 TYR QE 1 54 ILE HA 2.730 . 5.830 3.716 2.698 4.285 . 0 0 "[ . 1 .]" 1
775 1 106 TYR QD 1 136 VAL MG1 2.971 . 7.406 5.435 4.608 7.009 . 0 0 "[ . 1 .]" 1
776 1 106 TYR QE 1 136 VAL MG1 3.209 . 7.807 4.970 4.311 6.156 . 0 0 "[ . 1 .]" 1
777 1 136 VAL HA 1 138 TYR QD 3.022 . 6.240 3.475 3.169 3.756 . 0 0 "[ . 1 .]" 1
778 1 138 TYR QE 1 139 GLN HA 2.768 . 5.883 3.432 3.168 3.608 . 0 0 "[ . 1 .]" 1
779 1 26 VAL QG 1 138 TYR QE 2.165 . 6.048 2.965 2.213 3.678 . 0 0 "[ . 1 .]" 1
780 1 136 VAL HA 1 138 TYR QE 3.416 . 6.793 5.373 4.993 5.812 . 0 0 "[ . 1 .]" 1
781 1 138 TYR QE 1 139 GLN HG2 3.259 . 6.572 3.606 2.567 5.962 . 0 0 "[ . 1 .]" 1
782 1 22 ASN HA 1 138 TYR QE 3.303 . 6.635 4.533 4.160 4.835 . 0 0 "[ . 1 .]" 1
783 1 66 THR H 1 67 GLN QE 3.006 . 3.758 3.369 2.825 3.652 . 0 0 "[ . 1 .]" 1
784 1 65 SER H 1 67 GLN QE 3.310 . 4.137 3.607 2.915 4.205 0.068 11 0 "[ . 1 .]" 1
785 1 65 SER HB3 1 67 GLN QE 4.057 . 5.072 3.416 2.178 3.894 . 0 0 "[ . 1 .]" 1
786 1 19 GLN HB2 1 67 GLN QE 3.868 . 4.835 2.592 1.999 3.028 . 0 0 "[ . 1 .]" 1
787 1 19 GLN HB3 1 67 GLN QE 3.969 . 4.961 3.123 2.109 3.866 . 0 0 "[ . 1 .]" 1
788 1 105 SER H 1 109 PHE QD 4.040 . 7.669 5.206 4.966 5.542 . 0 0 "[ . 1 .]" 1
789 1 103 ASP H 1 109 PHE QD 2.959 . 6.152 2.430 2.160 2.970 . 0 0 "[ . 1 .]" 1
790 1 109 PHE H 1 109 PHE QD 3.316 . 6.652 4.321 4.280 4.406 . 0 0 "[ . 1 .]" 1
791 1 106 TYR H 1 109 PHE QD 4.089 . 7.737 4.673 4.352 5.285 . 0 0 "[ . 1 .]" 1
792 1 97 ALA MB 1 129 LEU MD2 6.000 . 6.000 3.496 2.345 4.012 . 0 0 "[ . 1 .]" 1
793 1 53 GLN HB3 1 56 SER QB 5.000 . 5.000 4.386 3.970 4.587 . 0 0 "[ . 1 .]" 1
794 1 53 GLN HB2 1 56 SER QB 5.000 . 5.000 3.070 2.573 4.033 . 0 0 "[ . 1 .]" 1
795 1 55 ALA MB 1 94 THR HB 7.000 . 7.000 5.857 5.766 5.911 . 0 0 "[ . 1 .]" 1
796 1 55 ALA MB 1 91 LEU HA 6.000 . 6.000 4.529 3.288 5.028 . 0 0 "[ . 1 .]" 1
797 1 53 GLN HB3 1 55 ALA MB 6.000 . 6.000 4.993 4.863 5.050 . 0 0 "[ . 1 .]" 1
798 1 53 GLN HB2 1 55 ALA MB 6.000 . 6.000 4.564 4.225 4.916 . 0 0 "[ . 1 .]" 1
799 1 15 ILE MG 1 54 ILE MD 6.000 . 6.000 4.062 3.965 4.151 . 0 0 "[ . 1 .]" 1
800 1 51 PHE HB3 1 54 ILE MD 4.500 . 4.500 2.970 2.800 3.257 . 0 0 "[ . 1 .]" 1
801 1 51 PHE HB2 1 54 ILE MD 4.500 . 4.500 2.426 2.136 3.431 . 0 0 "[ . 1 .]" 1
802 1 51 PHE HA 1 54 ILE MD 4.500 . 4.500 3.525 3.397 3.634 . 0 0 "[ . 1 .]" 1
803 1 54 ILE MG 1 55 ALA HA 3.500 . 5.700 3.423 3.307 3.512 . 0 0 "[ . 1 .]" 1
804 1 54 ILE MG 1 82 PHE HZ 3.500 . 5.700 3.917 2.617 4.701 . 0 0 "[ . 1 .]" 1
805 1 55 ALA HA 1 91 LEU HA 3.500 . 4.500 3.880 2.789 4.481 . 0 0 "[ . 1 .]" 1
806 1 54 ILE HA 1 57 GLU HG3 3.200 . 4.000 3.042 2.608 4.008 0.008 7 0 "[ . 1 .]" 1
807 1 54 ILE HA 1 57 GLU HG2 3.200 . 4.000 2.761 2.291 4.134 0.134 6 0 "[ . 1 .]" 1
808 1 12 ILE HA 1 59 LEU HB2 2.374 . 3.043 2.369 2.184 2.561 . 0 0 "[ . 1 .]" 1
809 1 12 ILE HA 1 59 LEU HB3 2.674 . 3.343 3.354 3.083 3.500 0.157 6 0 "[ . 1 .]" 1
810 1 51 PHE HA 1 53 GLN HG3 3.500 . 4.300 3.718 2.901 4.475 0.175 9 0 "[ . 1 .]" 1
811 1 51 PHE HA 1 53 GLN HG2 3.500 . 4.300 4.044 2.854 4.545 0.245 4 0 "[ . 1 .]" 1
812 1 12 ILE H 1 12 ILE MD 25.000 . 4.272 2.606 2.069 2.992 . 0 0 "[ . 1 .]" 1
813 1 13 THR HA 1 14 ILE H 25.000 . 2.653 2.126 2.089 2.168 . 0 0 "[ . 1 .]" 1
814 1 14 ILE HA 1 15 ILE H 25.000 . 2.757 2.119 2.050 2.153 . 0 0 "[ . 1 .]" 1
815 1 15 ILE HA 1 16 SER H 25.000 . 2.879 2.199 2.152 2.237 . 0 0 "[ . 1 .]" 1
816 1 16 SER HA 1 17 ALA H 25.000 . 2.710 2.134 2.080 2.197 . 0 0 "[ . 1 .]" 1
817 1 23 ALA HA 1 24 ARG H 25.000 . 4.600 3.399 3.270 3.464 . 0 0 "[ . 1 .]" 1
818 1 25 ARG H 1 25 ARG HB3 25.000 . 3.598 2.410 2.084 2.703 . 0 0 "[ . 1 .]" 1
819 1 28 GLU H 1 28 GLU QB 25.000 . 3.541 2.257 2.071 2.578 . 0 0 "[ . 1 .]" 1
820 1 27 ALA HA 1 29 ALA H 25.000 . 3.065 2.812 2.800 2.821 . 0 0 "[ . 1 .]" 1
821 1 29 ALA MB 1 30 LEU H 25.000 . 3.770 2.571 2.538 2.621 . 0 0 "[ . 1 .]" 1
822 1 30 LEU HG 1 31 ARG H 25.000 . 3.082 2.771 2.218 3.649 0.567 13 1 "[ . 1 + .]" 1
823 1 32 ASP HB2 1 33 ASP H 25.000 . 2.978 2.340 2.166 3.405 0.427 5 0 "[ . 1 .]" 1
824 1 35 LEU H 1 35 LEU HB3 25.000 . 3.138 2.548 2.362 2.924 . 0 0 "[ . 1 .]" 1
825 1 34 LEU HB2 1 35 LEU H 25.000 . 2.850 2.270 2.076 2.487 . 0 0 "[ . 1 .]" 1
826 1 42 LYS QG 1 43 LEU H 25.000 . 4.249 3.658 2.762 3.867 . 0 0 "[ . 1 .]" 1
827 1 48 ASP HB2 1 49 TYR H 25.000 . 2.946 2.786 2.627 3.035 0.089 13 0 "[ . 1 .]" 1
828 1 50 LYS H 1 50 LYS QB 25.000 . 3.832 2.271 1.945 2.535 . 0 0 "[ . 1 .]" 1
829 1 50 LYS H 1 50 LYS HD3 25.000 . 3.639 2.774 2.264 3.668 0.029 11 0 "[ . 1 .]" 1
830 1 49 TYR HB3 1 50 LYS H 25.000 . 5.916 3.712 3.519 3.898 . 0 0 "[ . 1 .]" 1
831 1 50 LYS HA 1 51 PHE H 25.000 . 2.493 2.277 2.240 2.317 . 0 0 "[ . 1 .]" 1
832 1 52 LYS H 1 52 LYS HB3 25.000 . 3.687 2.657 1.996 3.368 . 0 0 "[ . 1 .]" 1
833 1 53 GLN HB3 1 54 ILE H 25.000 . 4.002 4.065 4.023 4.128 0.126 10 0 "[ . 1 .]" 1
834 1 54 ILE H 1 54 ILE HG13 25.000 . 3.844 2.432 2.342 2.488 . 0 0 "[ . 1 .]" 1
835 1 58 LYS QB 1 59 LEU H 25.000 . 3.472 2.813 2.638 3.360 . 0 0 "[ . 1 .]" 1
836 1 59 LEU HA 1 60 LEU H 25.000 . 2.621 2.087 2.044 2.114 . 0 0 "[ . 1 .]" 1
837 1 60 LEU H 1 60 LEU QD 25.000 . 4.952 3.515 2.355 3.738 . 0 0 "[ . 1 .]" 1
838 1 60 LEU HA 1 61 ILE H 25.000 . 2.799 2.205 2.035 2.287 . 0 0 "[ . 1 .]" 1
839 1 60 LEU QB 1 61 ILE H 25.000 . 4.039 3.088 2.709 3.234 . 0 0 "[ . 1 .]" 1
840 1 61 ILE HB 1 62 VAL H 25.000 . 3.138 3.008 2.676 3.418 0.280 7 0 "[ . 1 .]" 1
841 1 73 PRO HD2 1 74 GLU H 25.000 . 3.093 2.743 2.699 2.786 . 0 0 "[ . 1 .]" 1
842 1 73 PRO QB 1 74 GLU H 25.000 . 3.575 2.456 2.354 2.615 . 0 0 "[ . 1 .]" 1
843 1 74 GLU QG 1 75 GLU H 25.000 . 5.043 2.155 1.756 3.110 . 0 0 "[ . 1 .]" 1
844 1 78 ALA HA 1 81 LYS H 25.000 . 3.086 2.718 2.682 2.795 . 0 0 "[ . 1 .]" 1
845 1 81 LYS H 1 81 LYS QB 25.000 . 2.635 2.175 1.972 2.304 . 0 0 "[ . 1 .]" 1
846 1 80 HIS HB3 1 81 LYS H 25.000 . 4.601 2.847 2.757 2.958 . 0 0 "[ . 1 .]" 1
847 1 81 LYS H 1 81 LYS QD 25.000 . 3.948 3.024 2.461 4.015 0.067 3 0 "[ . 1 .]" 1
848 1 86 LYS HA 1 87 LYS H 25.000 . 2.992 2.717 2.122 2.870 . 0 0 "[ . 1 .]" 1
849 1 86 LYS HB2 1 87 LYS H 25.000 . 3.295 2.539 2.235 3.239 . 0 0 "[ . 1 .]" 1
850 1 89 PRO HA 1 90 LYS H 25.000 . 2.518 2.209 1.953 2.409 . 0 0 "[ . 1 .]" 1
851 1 98 VAL HB 1 99 PHE H 25.000 . 3.348 3.040 2.988 3.173 . 0 0 "[ . 1 .]" 1
852 1 107 GLU H 1 107 GLU HB3 25.000 . 2.868 2.363 1.979 3.130 0.262 3 0 "[ . 1 .]" 1
853 1 107 GLU H 1 107 GLU HB2 25.000 . 2.817 2.421 1.922 3.128 0.311 15 0 "[ . 1 .]" 1
854 1 114 LYS H 1 114 LYS HD3 25.000 . 3.100 2.937 1.971 3.584 0.484 8 0 "[ . 1 .]" 1
855 1 116 PHE QB 1 117 ASP H 25.000 . 3.926 2.324 2.236 2.398 . 0 0 "[ . 1 .]" 1
856 1 119 LYS HG3 1 120 LEU H 25.000 . 4.693 3.519 3.151 3.767 . 0 0 "[ . 1 .]" 1
857 1 123 LEU H 1 123 LEU HB2 25.000 . 2.687 2.150 2.025 2.246 . 0 0 "[ . 1 .]" 1
858 1 125 GLY HA2 1 126 GLU H 25.000 . 2.926 2.297 2.252 2.328 . 0 0 "[ . 1 .]" 1
859 1 126 GLU H 1 126 GLU QB 25.000 . 3.834 2.289 2.174 2.371 . 0 0 "[ . 1 .]" 1
860 1 127 ARG H 1 127 ARG HB2 25.000 . 4.196 2.293 2.040 2.694 . 0 0 "[ . 1 .]" 1
861 1 128 LEU HB3 1 129 LEU H 25.000 . 3.009 2.902 2.472 3.308 0.299 9 0 "[ . 1 .]" 1
862 1 129 LEU HA 1 130 ASP H 25.000 . 2.546 2.209 2.181 2.259 . 0 0 "[ . 1 .]" 1
863 1 130 ASP HB2 1 131 ARG H 25.000 . 4.716 3.277 2.035 3.853 . 0 0 "[ . 1 .]" 1
864 1 131 ARG HB3 1 132 VAL H 25.000 . 3.205 2.561 2.311 3.530 0.325 11 0 "[ . 1 .]" 1
865 1 136 VAL HB 1 137 GLU H 25.000 . 3.415 2.347 2.171 2.641 . 0 0 "[ . 1 .]" 1
866 1 137 GLU HA 1 138 TYR H 25.000 . 2.701 2.312 1.948 2.470 . 0 0 "[ . 1 .]" 1
867 1 138 TYR H 1 139 GLN H 25.000 . 3.764 2.891 2.545 3.640 . 0 0 "[ . 1 .]" 1
868 1 144 GLU H 1 144 GLU QB 25.000 . 3.594 2.186 1.997 2.262 . 0 0 "[ . 1 .]" 1
869 1 146 ARG HB2 1 147 ALA H 25.000 . 3.411 2.184 2.163 2.213 . 0 0 "[ . 1 .]" 1
870 1 148 ARG H 1 148 ARG HB3 25.000 . 3.042 3.010 2.590 3.298 0.256 4 0 "[ . 1 .]" 1
871 1 148 ARG H 1 148 ARG HB2 25.000 . 2.741 2.190 2.084 2.393 . 0 0 "[ . 1 .]" 1
872 1 149 VAL HA 1 150 VAL H 25.000 . 3.107 2.706 2.684 2.729 . 0 0 "[ . 1 .]" 1
873 1 153 LEU H 1 153 LEU HB2 25.000 . 2.530 2.207 2.080 2.302 . 0 0 "[ . 1 .]" 1
874 1 153 LEU H 1 153 LEU QD 25.000 . 5.010 2.589 2.015 3.136 . 0 0 "[ . 1 .]" 1
875 1 153 LEU HA 1 154 LYS H 25.000 . 3.036 2.746 2.671 2.787 . 0 0 "[ . 1 .]" 1
876 1 154 LYS H 1 154 LYS QD 25.000 . 3.772 2.863 2.249 3.546 . 0 0 "[ . 1 .]" 1
877 1 156 ARG H 1 156 ARG HB3 25.000 . 3.650 2.966 2.588 3.441 . 0 0 "[ . 1 .]" 1
878 1 53 GLN H 1 53 GLN HB2 25.000 . 3.848 2.129 1.939 2.463 . 0 0 "[ . 1 .]" 1
879 1 34 LEU H 1 34 LEU QD 25.000 . 4.734 2.991 2.369 3.297 . 0 0 "[ . 1 .]" 1
880 1 80 HIS HD2 1 84 PHE H 25.000 . 5.509 4.166 3.993 4.328 . 0 0 "[ . 1 .]" 1
881 1 133 ASP H 1 133 ASP QB 25.000 . 3.089 2.678 2.346 2.885 . 0 0 "[ . 1 .]" 1
882 1 95 ALA MB 1 96 PHE HA . . 5.040 3.738 3.717 3.777 . 0 0 "[ . 1 .]" 1
883 1 101 LEU QD 1 109 PHE QE . . 6.852 3.297 3.139 3.502 . 0 0 "[ . 1 .]" 1
884 1 96 PHE HD1 1 120 LEU MD1 . . 4.714 3.746 3.438 4.072 . 0 0 "[ . 1 .]" 1
885 1 103 ASP HA 1 106 TYR QD . . 6.034 4.203 3.546 4.520 . 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 119
_Distance_constraint_stats_list.Viol_count 183
_Distance_constraint_stats_list.Viol_total 190.766
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0695
_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 12 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 13 THR 0.024 0.012 8 0 "[ . 1 .]"
1 14 ILE 0.084 0.052 7 0 "[ . 1 .]"
1 15 ILE 0.037 0.025 8 0 "[ . 1 .]"
1 17 ALA 1.820 0.281 6 0 "[ . 1 .]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 21 GLY 1.357 0.145 3 0 "[ . 1 .]"
1 22 ASN 0.026 0.016 11 0 "[ . 1 .]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 25 ARG 1.551 0.145 3 0 "[ . 1 .]"
1 26 VAL 0.026 0.016 11 0 "[ . 1 .]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 28 GLU 0.029 0.029 5 0 "[ . 1 .]"
1 29 ALA 0.193 0.077 9 0 "[ . 1 .]"
1 30 LEU 0.041 0.039 5 0 "[ . 1 .]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 32 ASP 0.029 0.029 5 0 "[ . 1 .]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 34 LEU 0.041 0.039 5 0 "[ . 1 .]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 40 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 44 VAL 0.084 0.052 7 0 "[ . 1 .]"
1 58 LYS 1.542 0.209 11 0 "[ . 1 .]"
1 59 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 61 ILE 0.049 0.025 8 0 "[ . 1 .]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 63 VAL 0.012 0.012 11 0 "[ . 1 .]"
1 64 THR 1.281 0.150 15 0 "[ . 1 .]"
1 65 SER 1.820 0.281 6 0 "[ . 1 .]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 80 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 95 ALA 1.542 0.209 11 0 "[ . 1 .]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 97 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 99 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 100 SER 0.000 0.000 . 0 "[ . 1 .]"
1 101 LEU 1.281 0.150 15 0 "[ . 1 .]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 110 CYS 0.523 0.102 14 0 "[ . 1 .]"
1 111 GLN 0.006 0.006 15 0 "[ . 1 .]"
1 112 SER 0.000 0.000 . 0 "[ . 1 .]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 114 LYS 0.523 0.102 14 0 "[ . 1 .]"
1 115 ASP 0.006 0.006 15 0 "[ . 1 .]"
1 116 PHE 0.157 0.058 9 0 "[ . 1 .]"
1 117 ASP 2.179 0.178 1 0 "[ . 1 .]"
1 118 SER 0.000 0.000 . 0 "[ . 1 .]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 120 LEU 0.157 0.058 9 0 "[ . 1 .]"
1 121 ALA 2.179 0.178 1 0 "[ . 1 .]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 126 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 132 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 134 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 138 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 140 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 141 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 142 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 143 SER 0.000 0.000 . 0 "[ . 1 .]"
1 144 GLU 1.103 0.204 11 0 "[ . 1 .]"
1 145 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 146 ARG 0.064 0.027 11 0 "[ . 1 .]"
1 147 ALA 2.184 0.160 7 0 "[ . 1 .]"
1 148 ARG 1.103 0.204 11 0 "[ . 1 .]"
1 149 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 150 VAL 0.130 0.049 7 0 "[ . 1 .]"
1 151 ASP 2.184 0.160 7 0 "[ . 1 .]"
1 152 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 153 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 154 LYS 0.066 0.049 7 0 "[ . 1 .]"
2 1 FMN 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 21 GLY O 1 25 ARG H . . 2.300 2.372 2.293 2.445 0.145 3 0 "[ . 1 .]" 2
2 1 21 GLY O 1 25 ARG N . 2.500 3.300 3.304 3.230 3.374 0.074 3 0 "[ . 1 .]" 2
3 1 22 ASN O 1 26 VAL H . . 2.300 2.206 2.049 2.316 0.016 11 0 "[ . 1 .]" 2
4 1 22 ASN O 1 26 VAL N . 2.500 3.300 3.165 3.011 3.268 . 0 0 "[ . 1 .]" 2
5 1 23 ALA O 1 27 ALA H . . 2.300 1.991 1.759 2.283 . 0 0 "[ . 1 .]" 2
6 1 23 ALA O 1 27 ALA N . 2.500 3.300 2.941 2.701 3.216 . 0 0 "[ . 1 .]" 2
7 1 24 ARG O 1 28 GLU H . . 2.300 2.005 1.787 2.284 . 0 0 "[ . 1 .]" 2
8 1 24 ARG O 1 28 GLU N . 2.500 3.300 2.934 2.734 3.175 . 0 0 "[ . 1 .]" 2
9 1 25 ARG O 1 29 ALA H . . 2.300 2.220 2.023 2.377 0.077 9 0 "[ . 1 .]" 2
10 1 25 ARG O 1 29 ALA N . 2.500 3.300 3.144 2.969 3.270 . 0 0 "[ . 1 .]" 2
11 1 26 VAL O 1 30 LEU H . . 2.300 1.939 1.810 2.056 . 0 0 "[ . 1 .]" 2
12 1 26 VAL O 1 30 LEU N . 2.500 3.300 2.887 2.766 3.014 . 0 0 "[ . 1 .]" 2
13 1 27 ALA O 1 31 ARG H . . 2.300 1.768 1.629 1.971 . 0 0 "[ . 1 .]" 2
14 1 27 ALA O 1 31 ARG N . 2.500 3.300 2.757 2.636 2.935 . 0 0 "[ . 1 .]" 2
15 1 28 GLU O 1 32 ASP H . . 2.300 2.086 1.769 2.329 0.029 5 0 "[ . 1 .]" 2
16 1 28 GLU O 1 32 ASP N . 2.500 3.300 2.994 2.685 3.216 . 0 0 "[ . 1 .]" 2
17 1 29 ALA O 1 33 ASP H . . 2.300 2.012 1.691 2.259 . 0 0 "[ . 1 .]" 2
18 1 29 ALA O 1 33 ASP N . 2.500 3.300 2.868 2.574 3.190 . 0 0 "[ . 1 .]" 2
19 1 30 LEU O 1 34 LEU H . . 2.300 2.085 1.722 2.339 0.039 5 0 "[ . 1 .]" 2
20 1 30 LEU O 1 34 LEU N . 2.500 3.300 3.025 2.685 3.302 0.002 5 0 "[ . 1 .]" 2
21 1 31 ARG O 1 35 LEU H . . 2.300 1.730 1.589 2.069 . 0 0 "[ . 1 .]" 2
22 1 31 ARG O 1 35 LEU N . 2.500 3.300 2.676 2.504 2.999 . 0 0 "[ . 1 .]" 2
23 1 32 ASP O 1 36 ALA H . . 2.300 1.679 1.589 1.810 . 0 0 "[ . 1 .]" 2
24 1 32 ASP O 1 36 ALA N . 2.500 3.300 2.628 2.573 2.699 . 0 0 "[ . 1 .]" 2
25 1 76 ALA O 1 80 HIS H . . 2.300 1.686 1.561 2.025 . 0 0 "[ . 1 .]" 2
26 1 76 ALA O 1 80 HIS N . 2.500 3.300 2.663 2.553 3.008 . 0 0 "[ . 1 .]" 2
27 1 77 VAL O 1 81 LYS H . . 2.300 1.762 1.648 2.039 . 0 0 "[ . 1 .]" 2
28 1 77 VAL O 1 81 LYS N . 2.500 3.300 2.743 2.633 2.992 . 0 0 "[ . 1 .]" 2
29 1 78 ALA O 1 82 PHE H . . 2.300 1.758 1.668 2.104 . 0 0 "[ . 1 .]" 2
30 1 78 ALA O 1 82 PHE N . 2.500 3.300 2.665 2.576 2.916 . 0 0 "[ . 1 .]" 2
31 1 79 LEU O 1 83 LEU H . . 2.300 1.862 1.664 2.228 . 0 0 "[ . 1 .]" 2
32 1 79 LEU O 1 83 LEU N . 2.500 3.300 2.846 2.664 3.203 . 0 0 "[ . 1 .]" 2
33 1 110 CYS O 1 114 LYS H . . 2.300 2.241 1.986 2.402 0.102 14 0 "[ . 1 .]" 2
34 1 110 CYS O 1 114 LYS N . 2.500 3.300 3.182 2.946 3.380 0.080 15 0 "[ . 1 .]" 2
35 1 111 GLN O 1 115 ASP H . . 2.300 1.868 1.640 2.306 0.006 15 0 "[ . 1 .]" 2
36 1 111 GLN O 1 115 ASP N . 2.500 3.300 2.848 2.640 3.290 . 0 0 "[ . 1 .]" 2
37 1 112 SER O 1 116 PHE H . . 2.300 1.808 1.602 1.963 . 0 0 "[ . 1 .]" 2
38 1 112 SER O 1 116 PHE N . 2.500 3.300 2.809 2.610 2.967 . 0 0 "[ . 1 .]" 2
39 1 113 GLY O 1 117 ASP H . . 2.300 1.785 1.678 2.007 . 0 0 "[ . 1 .]" 2
40 1 113 GLY O 1 117 ASP N . 2.500 3.300 2.737 2.625 2.951 . 0 0 "[ . 1 .]" 2
41 1 114 LYS O 1 118 SER H . . 2.300 1.921 1.735 2.139 . 0 0 "[ . 1 .]" 2
42 1 114 LYS O 1 118 SER N . 2.500 3.300 2.827 2.700 3.039 . 0 0 "[ . 1 .]" 2
43 1 115 ASP O 1 119 LYS H . . 2.300 1.957 1.734 2.143 . 0 0 "[ . 1 .]" 2
44 1 115 ASP O 1 119 LYS N . 2.500 3.300 2.950 2.735 3.137 . 0 0 "[ . 1 .]" 2
45 1 116 PHE O 1 120 LEU H . . 2.300 2.164 1.928 2.358 0.058 9 0 "[ . 1 .]" 2
46 1 116 PHE O 1 120 LEU N . 2.500 3.300 3.137 2.907 3.316 0.016 9 0 "[ . 1 .]" 2
47 1 117 ASP O 1 121 ALA H . . 2.500 2.509 2.360 2.560 0.060 15 0 "[ . 1 .]" 2
48 1 117 ASP O 1 121 ALA N . 2.500 3.300 3.424 3.324 3.478 0.178 1 0 "[ . 1 .]" 2
49 1 118 SER O 1 122 GLU H . . 2.300 1.714 1.652 1.826 . 0 0 "[ . 1 .]" 2
50 1 118 SER O 1 122 GLU N . 2.500 3.300 2.684 2.615 2.788 . 0 0 "[ . 1 .]" 2
51 1 119 LYS O 1 123 LEU H . . 2.300 1.749 1.631 1.988 . 0 0 "[ . 1 .]" 2
52 1 119 LYS O 1 123 LEU N . 2.500 3.300 2.665 2.554 2.873 . 0 0 "[ . 1 .]" 2
53 1 138 TYR O 1 142 ALA H . . 2.300 2.042 1.815 2.174 . 0 0 "[ . 1 .]" 2
54 1 138 TYR O 1 142 ALA N . 2.500 3.300 3.032 2.820 3.156 . 0 0 "[ . 1 .]" 2
55 1 140 ALA O 1 144 GLU H . . 2.300 1.841 1.700 2.018 . 0 0 "[ . 1 .]" 2
56 1 140 ALA O 1 144 GLU N . 2.500 3.300 2.815 2.674 2.964 . 0 0 "[ . 1 .]" 2
57 1 141 ALA O 1 145 TRP H . . 2.300 1.759 1.673 1.871 . 0 0 "[ . 1 .]" 2
58 1 141 ALA O 1 145 TRP N . 2.500 3.300 2.702 2.622 2.816 . 0 0 "[ . 1 .]" 2
59 1 142 ALA O 1 146 ARG H . . 2.300 1.698 1.634 1.823 . 0 0 "[ . 1 .]" 2
60 1 142 ALA O 1 146 ARG N . 2.500 3.300 2.631 2.583 2.755 . 0 0 "[ . 1 .]" 2
61 1 143 SER O 1 147 ALA H . . 2.300 1.878 1.715 2.020 . 0 0 "[ . 1 .]" 2
62 1 143 SER O 1 147 ALA N . 2.500 3.300 2.868 2.710 3.004 . 0 0 "[ . 1 .]" 2
63 1 144 GLU O 1 148 ARG H . . 2.300 2.364 2.215 2.504 0.204 11 0 "[ . 1 .]" 2
64 1 144 GLU O 1 148 ARG N . 2.500 3.300 3.114 2.967 3.262 . 0 0 "[ . 1 .]" 2
65 1 145 TRP O 1 149 VAL H . . 2.300 2.051 1.879 2.243 . 0 0 "[ . 1 .]" 2
66 1 145 TRP O 1 149 VAL N . 2.500 3.300 3.017 2.857 3.217 . 0 0 "[ . 1 .]" 2
67 1 146 ARG O 1 150 VAL H . . 2.300 2.110 1.825 2.327 0.027 11 0 "[ . 1 .]" 2
68 1 146 ARG O 1 150 VAL N . 2.500 3.300 3.085 2.812 3.313 0.013 11 0 "[ . 1 .]" 2
69 1 147 ALA O 1 151 ASP H . . 2.300 2.378 2.291 2.460 0.160 7 0 "[ . 1 .]" 2
70 1 147 ALA O 1 151 ASP N . 2.500 3.300 3.363 3.275 3.443 0.143 7 0 "[ . 1 .]" 2
71 1 148 ARG O 1 152 ALA H . . 2.300 1.833 1.646 2.277 . 0 0 "[ . 1 .]" 2
72 1 148 ARG O 1 152 ALA N . 2.500 3.300 2.792 2.606 3.211 . 0 0 "[ . 1 .]" 2
73 1 149 VAL O 1 153 LEU H . . 2.300 1.796 1.624 2.182 . 0 0 "[ . 1 .]" 2
74 1 149 VAL O 1 153 LEU N . 2.500 3.300 2.766 2.568 3.155 . 0 0 "[ . 1 .]" 2
75 1 150 VAL O 1 154 LYS H . . 2.300 2.014 1.769 2.349 0.049 7 0 "[ . 1 .]" 2
76 1 150 VAL O 1 154 LYS N . 2.500 3.300 2.965 2.744 3.297 . 0 0 "[ . 1 .]" 2
77 1 12 ILE H 1 40 ASN O . . 2.300 1.789 1.513 2.256 . 0 0 "[ . 1 .]" 2
78 1 12 ILE N 1 40 ASN O . 2.500 3.300 2.775 2.514 3.224 . 0 0 "[ . 1 .]" 2
79 1 12 ILE O 1 42 LYS H . . 2.300 1.750 1.615 1.917 . 0 0 "[ . 1 .]" 2
80 1 12 ILE O 1 42 LYS N . 2.500 3.300 2.687 2.549 2.896 . 0 0 "[ . 1 .]" 2
81 1 14 ILE H 1 42 LYS O . . 2.500 1.776 1.604 2.043 . 0 0 "[ . 1 .]" 2
82 1 14 ILE N 1 42 LYS O . 2.500 3.500 2.771 2.572 3.038 . 0 0 "[ . 1 .]" 2
83 1 14 ILE O 1 44 VAL H . . 2.300 2.130 1.763 2.352 0.052 7 0 "[ . 1 .]" 2
84 1 14 ILE O 1 44 VAL N . 2.500 3.300 3.104 2.768 3.311 0.011 7 0 "[ . 1 .]" 2
85 1 100 SER H 1 132 VAL O . . 2.500 1.679 1.566 1.908 . 0 0 "[ . 1 .]" 2
86 1 100 SER N 1 132 VAL O . 2.500 3.500 2.605 2.521 2.773 . 0 0 "[ . 1 .]" 2
87 1 100 SER O 1 134 ALA H . . 2.300 1.744 1.597 1.997 . 0 0 "[ . 1 .]" 2
88 1 100 SER O 1 134 ALA N . 2.500 3.300 2.598 2.542 2.685 . 0 0 "[ . 1 .]" 2
89 1 102 GLY H 1 134 ALA O . . 2.300 1.820 1.713 1.977 . 0 0 "[ . 1 .]" 2
90 1 102 GLY N 1 134 ALA O . 2.500 3.300 2.716 2.643 2.842 . 0 0 "[ . 1 .]" 2
91 1 13 THR H 1 59 LEU O . . 2.300 1.968 1.737 2.231 . 0 0 "[ . 1 .]" 2
92 1 13 THR N 1 59 LEU O . 2.500 3.300 2.934 2.727 3.136 . 0 0 "[ . 1 .]" 2
93 1 13 THR O 1 61 ILE H . . 2.300 1.600 1.502 1.933 . 0 0 "[ . 1 .]" 2
94 1 13 THR O 1 61 ILE N . 2.500 3.300 2.574 2.488 2.846 0.012 8 0 "[ . 1 .]" 2
95 1 15 ILE H 1 61 ILE O . . 2.300 1.575 1.493 1.674 . 0 0 "[ . 1 .]" 2
96 1 15 ILE N 1 61 ILE O . 2.500 3.300 2.548 2.475 2.608 0.025 8 0 "[ . 1 .]" 2
97 1 15 ILE O 1 63 VAL H . . 2.300 1.960 1.776 2.312 0.012 11 0 "[ . 1 .]" 2
98 1 15 ILE O 1 63 VAL N . 2.500 3.300 2.883 2.718 3.188 . 0 0 "[ . 1 .]" 2
99 1 17 ALA H 1 63 VAL O . . 2.300 1.693 1.615 1.768 . 0 0 "[ . 1 .]" 2
100 1 17 ALA N 1 63 VAL O . 2.500 3.300 2.600 2.504 2.720 . 0 0 "[ . 1 .]" 2
101 1 17 ALA O 1 65 SER H . . 2.300 2.390 2.208 2.581 0.281 6 0 "[ . 1 .]" 2
102 1 17 ALA O 1 65 SER N . 2.500 3.300 3.199 3.024 3.400 0.100 6 0 "[ . 1 .]" 2
103 1 58 LYS O 1 95 ALA H . . 2.300 2.354 2.054 2.509 0.209 11 0 "[ . 1 .]" 2
104 1 58 LYS O 1 95 ALA N . 2.500 3.300 3.241 2.947 3.408 0.108 11 0 "[ . 1 .]" 2
105 1 60 LEU H 1 95 ALA O . . 2.300 2.009 1.822 2.205 . 0 0 "[ . 1 .]" 2
106 1 60 LEU N 1 95 ALA O . 2.500 3.300 2.948 2.815 3.180 . 0 0 "[ . 1 .]" 2
107 1 62 VAL H 1 97 ALA O . . 2.300 1.980 1.750 2.124 . 0 0 "[ . 1 .]" 2
108 1 62 VAL N 1 97 ALA O . 2.500 3.300 2.981 2.756 3.132 . 0 0 "[ . 1 .]" 2
109 1 62 VAL O 1 99 PHE H . . 2.300 2.051 1.904 2.300 . 0 0 "[ . 1 .]" 2
110 1 62 VAL O 1 99 PHE N . 2.500 3.300 3.001 2.834 3.218 . 0 0 "[ . 1 .]" 2
111 1 64 THR H 1 99 PHE O . . 2.500 2.156 1.996 2.266 . 0 0 "[ . 1 .]" 2
112 1 64 THR N 1 99 PHE O . 2.500 3.500 3.104 2.970 3.246 . 0 0 "[ . 1 .]" 2
113 1 64 THR O 1 101 LEU H . . 2.300 2.347 2.183 2.450 0.150 15 0 "[ . 1 .]" 2
114 1 64 THR O 1 101 LEU N . 2.500 3.300 3.277 3.127 3.365 0.065 15 0 "[ . 1 .]" 2
115 1 96 PHE H 1 126 GLU O . . 2.300 1.733 1.646 1.865 . 0 0 "[ . 1 .]" 2
116 1 96 PHE N 1 126 GLU O . 2.500 3.300 2.709 2.622 2.845 . 0 0 "[ . 1 .]" 2
117 1 19 GLN H 2 1 FMN P . . 4.000 2.956 2.768 3.279 . 0 0 "[ . 1 .]" 2
118 1 22 ASN H 2 1 FMN P . . 4.000 3.043 2.865 3.392 . 0 0 "[ . 1 .]" 2
119 1 23 ALA H 2 1 FMN P . . 4.000 3.169 2.911 3.650 . 0 0 "[ . 1 .]" 2
stop_
save_
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