NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395239 |
1rjj   |
6011 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rjj
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 803
_Distance_constraint_stats_list.Viol_count 2002
_Distance_constraint_stats_list.Viol_total 7413.063
_Distance_constraint_stats_list.Viol_max 1.198
_Distance_constraint_stats_list.Viol_rms 0.0817
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0231
_Distance_constraint_stats_list.Viol_average_violations_only 0.1851
_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 1 MET 1.515 0.405 16 0 "[ . 1 . 2]"
1 2 ALA 2.240 0.640 16 1 "[ . 1 .+ 2]"
1 3 THR 13.719 0.723 15 5 "[ . * 1- * +* 2]"
1 4 SER 8.768 0.532 16 1 "[ . 1 .+ 2]"
1 5 GLY 8.718 0.723 15 6 "[ *. ** 1- * + 2]"
1 6 PHE 3.111 0.386 10 0 "[ . 1 . 2]"
1 7 LYS 8.540 0.386 10 0 "[ . 1 . 2]"
1 8 HIS 4.894 0.501 4 1 "[ +. 1 . 2]"
1 9 LEU 9.536 0.411 11 0 "[ . 1 . 2]"
1 10 VAL 23.212 0.754 15 4 "[ *. 1 - + * 2]"
1 11 VAL 18.116 0.876 9 1 "[ . +1 . 2]"
1 12 VAL 13.517 0.758 12 1 "[ . 1 + . 2]"
1 13 LYS 8.908 0.733 4 1 "[ +. 1 . 2]"
1 14 PHE 3.242 0.331 5 0 "[ . 1 . 2]"
1 15 LYS 6.608 0.472 12 0 "[ . 1 . 2]"
1 16 GLU 1.573 0.204 13 0 "[ . 1 . 2]"
1 17 ASP 7.271 0.472 12 0 "[ . 1 . 2]"
1 18 THR 14.245 0.758 12 1 "[ . 1 + . 2]"
1 19 LYS 12.092 0.566 17 4 "[ . * 1 -* + 2]"
1 20 VAL 23.765 0.550 19 7 "[ -.* * **. * +2]"
1 21 ASP 4.139 0.305 18 0 "[ . 1 . 2]"
1 22 GLU 13.995 0.566 17 3 "[ . 1 -* + 2]"
1 23 ILE 14.209 0.545 6 5 "[ -.+ 1 **. * 2]"
1 24 LEU 9.825 0.950 10 2 "[ . + . *2]"
1 25 LYS 11.709 0.489 14 0 "[ . 1 . 2]"
1 26 GLY 1.939 0.950 10 2 "[ . + . -2]"
1 27 LEU 22.338 0.670 5 4 "[ + 1 .-* *2]"
1 28 GLU 4.718 0.426 8 0 "[ . 1 . 2]"
1 29 ASN 6.043 0.529 17 1 "[ . 1 . + 2]"
1 30 LEU 36.343 0.708 12 9 "[* - * * + *** *2]"
1 31 VAL 11.449 0.432 9 0 "[ . 1 . 2]"
1 32 SER 7.586 0.422 1 0 "[ . 1 . 2]"
1 33 GLN 19.458 0.523 15 3 "[ * . 1 + -]"
1 34 ILE 5.043 0.342 1 0 "[ . 1 . 2]"
1 35 ASP 1.145 0.146 20 0 "[ . 1 . 2]"
1 36 THR 1.216 0.342 1 0 "[ . 1 . 2]"
1 37 VAL 8.963 0.346 10 0 "[ . 1 . 2]"
1 38 LYS 4.610 0.346 10 0 "[ . 1 . 2]"
1 39 SER 0.136 0.136 10 0 "[ . 1 . 2]"
1 40 PHE 4.094 0.224 16 0 "[ . 1 . 2]"
1 41 GLU 10.420 0.546 20 2 "[ - . 1 . +]"
1 42 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.101 0.074 11 0 "[ . 1 . 2]"
1 44 GLU 8.292 0.557 3 2 "[ + . - 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 18.402 0.950 19 9 "[ * . * -* **. * +*]"
1 47 GLU 0.151 0.091 11 0 "[ . 1 . 2]"
1 48 SER 7.873 0.888 19 3 "[ *- 1 . +2]"
1 49 HIS 6.079 0.549 19 1 "[ . 1 . +2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 6.802 1.198 4 2 "[ +. 1- . 2]"
1 52 LEU 13.402 0.888 19 3 "[ *- 1 . +2]"
1 53 ARG 1.027 0.405 5 0 "[ . 1 . 2]"
1 54 GLN 5.775 1.198 4 2 "[ +. 1- . 2]"
1 55 GLY 6.207 0.950 19 4 "[ . -1 *. * +2]"
1 56 PHE 7.233 0.733 4 2 "[ - +. 1 . 2]"
1 57 THR 11.713 0.804 14 4 "[ . * - *+. 2]"
1 58 HIS 8.291 0.557 3 2 "[ + . - 1 . 2]"
1 59 ALA 2.825 0.754 15 1 "[ . 1 + 2]"
1 60 PHE 8.490 0.501 4 1 "[ +. 1 . 2]"
1 61 SER 1.866 0.180 10 0 "[ . 1 . 2]"
1 62 MET 16.409 0.546 20 2 "[ - . 1 . +]"
1 63 THR 3.202 0.225 15 0 "[ . 1 . 2]"
1 64 PHE 1.125 0.311 4 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 3.065 0.411 12 0 "[ . 1 . 2]"
1 67 LYS 0.674 0.294 12 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.614 0.169 8 0 "[ . 1 . 2]"
1 70 TYR 3.065 0.411 12 0 "[ . 1 . 2]"
1 71 VAL 0.679 0.294 12 0 "[ . 1 . 2]"
1 72 ALA 0.556 0.236 16 0 "[ . 1 . 2]"
1 73 PHE 0.265 0.083 18 0 "[ . 1 . 2]"
1 74 THR 6.506 0.507 20 1 "[ . 1 . +]"
1 75 SER 1.483 0.398 14 0 "[ . 1 . 2]"
1 76 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 4.229 0.488 5 0 "[ . 1 . 2]"
1 78 LEU 23.326 0.708 12 5 "[* * * + . - 2]"
1 79 HIS 7.760 0.447 5 0 "[ . 1 . 2]"
1 80 VAL 4.565 0.488 5 0 "[ . 1 . 2]"
1 81 GLU 1.143 0.108 13 0 "[ . 1 . 2]"
1 82 PHE 1.604 0.259 11 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.539 0.108 13 0 "[ . 1 . 2]"
1 85 ALA 1.737 0.259 11 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 9.547 0.535 1 2 "[+ . - . 2]"
1 88 ALA 10.324 0.535 1 2 "[+ . - . 2]"
1 89 VAL 5.342 0.561 8 1 "[ . + 1 . 2]"
1 90 ILE 1.057 0.196 4 0 "[ . 1 . 2]"
1 91 ASP 1.546 0.338 6 0 "[ . 1 . 2]"
1 92 LYS 6.213 0.445 1 0 "[ . 1 . 2]"
1 93 ILE 21.709 0.541 9 4 "[*- . +1 *. 2]"
1 94 VAL 16.894 0.876 9 4 "[ *. +1 - . * 2]"
1 95 LEU 16.388 0.398 16 0 "[ . 1 . 2]"
1 96 LEU 7.182 0.307 19 0 "[ . 1 . 2]"
1 97 ASP 0.045 0.030 11 0 "[ . 1 . 2]"
1 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 VAL 3.782 0.707 4 2 "[ +. - 1 . 2]"
1 101 ALA 4.860 0.532 16 1 "[ . 1 .+ 2]"
1 102 ALA 0.724 0.237 9 0 "[ . 1 . 2]"
1 103 VAL 3.519 0.374 1 0 "[ . 1 . 2]"
1 104 LYS 1.049 0.218 11 0 "[ . 1 . 2]"
1 105 SER 4.259 0.726 14 1 "[ . 1 +. 2]"
1 107 VAL 4.259 0.726 14 1 "[ . 1 +. 2]"
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 1 MET HA 1 1 MET QB 2.500 . 3.500 2.342 2.187 2.441 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 1 MET QG 3.200 . 4.500 2.625 2.246 3.446 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 ALA H 2.800 . 3.900 3.396 2.199 3.588 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 2 ALA MB 4.100 . 5.800 4.189 3.227 4.576 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 2 ALA H 3.500 . 4.900 2.721 1.815 3.859 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 3 THR MG 3.300 . 4.600 3.993 2.880 4.903 0.303 12 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 3 THR HB 4.000 . 5.600 3.628 2.799 4.593 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 3 THR MG 3.600 . 5.100 4.549 2.807 5.505 0.405 16 0 "[ . 1 . 2]" 1
9 1 2 ALA HA 1 2 ALA MB 2.300 . 3.200 2.143 2.126 2.151 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA H 1 2 ALA MB 3.300 . 3.500 2.764 2.266 2.988 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA HA 1 3 THR HB 3.600 2.200 5.000 4.899 4.202 5.249 0.249 17 0 "[ . 1 . 2]" 1
12 1 2 ALA HA 1 3 THR MG 3.400 . 4.800 4.241 3.696 5.440 0.640 16 1 "[ . 1 .+ 2]" 1
13 1 2 ALA HA 1 3 THR H 2.500 . 3.200 2.655 2.197 3.583 0.383 12 0 "[ . 1 . 2]" 1
14 1 2 ALA MB 1 3 THR H 3.300 . 4.000 3.325 1.772 3.727 . 0 0 "[ . 1 . 2]" 1
15 1 3 THR HA 1 3 THR HB 2.700 . 3.800 2.606 2.464 2.986 . 0 0 "[ . 1 . 2]" 1
16 1 3 THR HB 1 3 THR MG 2.400 . 3.400 2.138 2.133 2.147 . 0 0 "[ . 1 . 2]" 1
17 1 3 THR H 1 3 THR MG 3.400 . 4.300 2.503 1.851 3.922 . 0 0 "[ . 1 . 2]" 1
18 1 3 THR HB 1 4 SER H 3.300 . 4.000 3.853 2.410 4.307 0.307 8 0 "[ . 1 . 2]" 1
19 1 3 THR MG 1 4 SER H 3.700 . 4.300 2.345 1.641 2.872 . 0 0 "[ . 1 . 2]" 1
20 1 3 THR MG 1 5 GLY HA3 4.300 . 6.000 6.031 4.449 6.723 0.723 15 4 "[ . * 1- * + 2]" 1
21 1 3 THR HB 1 101 ALA MB 4.100 . 5.700 4.481 3.648 5.883 0.183 7 0 "[ . 1 . 2]" 1
22 1 3 THR MG 1 103 VAL MG2 3.000 . 4.200 4.286 3.776 4.574 0.374 1 0 "[ . 1 . 2]" 1
23 1 4 SER H 1 4 SER QB 3.200 . 3.900 2.853 2.403 3.418 . 0 0 "[ . 1 . 2]" 1
24 1 4 SER HA 1 5 GLY HA3 4.500 2.700 6.300 5.008 4.661 5.257 . 0 0 "[ . 1 . 2]" 1
25 1 4 SER QB 1 5 GLY HA2 3.000 . 4.200 4.157 3.944 4.585 0.385 16 0 "[ . 1 . 2]" 1
26 1 4 SER QB 1 5 GLY H 3.000 . 3.600 1.714 1.610 2.116 . 0 0 "[ . 1 . 2]" 1
27 1 4 SER QB 1 100 VAL QG 2.800 . 3.900 3.721 2.535 4.197 0.297 9 0 "[ . 1 . 2]" 1
28 1 4 SER HA 1 101 ALA HA 3.300 . 4.600 4.789 4.226 5.132 0.532 16 1 "[ . 1 .+ 2]" 1
29 1 4 SER QB 1 102 ALA MB 2.900 . 4.100 3.533 2.596 4.337 0.237 9 0 "[ . 1 . 2]" 1
30 1 5 GLY HA3 1 6 PHE H 3.300 . 4.600 2.666 2.366 3.048 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY HA2 1 6 PHE H 3.400 . 3.600 2.552 2.252 2.863 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLY HA3 1 63 THR MG 4.400 . 6.200 3.210 2.791 3.623 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLY HA2 1 63 THR MG 4.300 . 6.000 4.170 3.552 4.584 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLY HA2 1 64 PHE HA 4.300 2.600 6.000 5.918 5.391 6.311 0.311 4 0 "[ . 1 . 2]" 1
35 1 5 GLY HA3 1 100 VAL QG 4.500 . 6.300 3.826 3.038 4.863 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLY HA2 1 100 VAL QG 4.500 . 6.300 4.839 3.850 5.811 . 0 0 "[ . 1 . 2]" 1
37 1 5 GLY H 1 100 VAL HB 4.500 2.700 4.900 4.006 2.841 5.607 0.707 4 2 "[ +. - 1 . 2]" 1
38 1 6 PHE QB 1 7 LYS QG 4.100 . 5.700 5.846 5.635 6.086 0.386 10 0 "[ . 1 . 2]" 1
39 1 6 PHE QB 1 63 THR MG 3.200 . 4.500 4.378 4.143 4.540 0.040 17 0 "[ . 1 . 2]" 1
40 1 6 PHE H 1 63 THR HA 4.000 2.400 5.600 4.355 4.068 4.684 . 0 0 "[ . 1 . 2]" 1
41 1 7 LYS QE 1 7 LYS QG 3.000 . 4.200 2.177 2.101 2.359 . 0 0 "[ . 1 . 2]" 1
42 1 7 LYS QE 1 8 HIS H 4.400 2.500 5.900 4.134 3.070 4.695 . 0 0 "[ . 1 . 2]" 1
43 1 7 LYS QG 1 8 HIS QB 3.300 . 4.600 4.324 4.120 4.754 0.154 19 0 "[ . 1 . 2]" 1
44 1 7 LYS QG 1 8 HIS H 4.400 . 4.600 2.409 2.115 2.662 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS QE 1 9 LEU HA 3.300 . 4.600 4.447 3.777 4.672 0.072 3 0 "[ . 1 . 2]" 1
46 1 7 LYS QD 1 61 SER QB 4.300 . 6.000 4.276 2.380 5.421 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS QG 1 62 MET QB 3.400 . 4.800 4.871 4.655 5.014 0.214 5 0 "[ . 1 . 2]" 1
48 1 7 LYS QG 1 62 MET H 3.500 . 4.900 4.115 3.544 4.437 . 0 0 "[ . 1 . 2]" 1
49 1 7 LYS HA 1 63 THR MG 3.900 . 5.400 3.051 2.585 3.301 . 0 0 "[ . 1 . 2]" 1
50 1 7 LYS QG 1 63 THR HB 3.700 . 5.200 4.740 4.247 5.212 0.012 10 0 "[ . 1 . 2]" 1
51 1 7 LYS H 1 63 THR MG 3.100 . 4.300 4.348 4.035 4.513 0.213 10 0 "[ . 1 . 2]" 1
52 1 7 LYS QE 1 96 LEU QB 3.400 . 4.800 3.375 2.268 4.431 . 0 0 "[ . 1 . 2]" 1
53 1 7 LYS QE 1 96 LEU MD1 2.800 . 3.900 3.974 3.598 4.207 0.307 19 0 "[ . 1 . 2]" 1
54 1 7 LYS QG 1 98 PHE H 3.800 . 5.300 4.621 3.757 5.273 . 0 0 "[ . 1 . 2]" 1
55 1 7 LYS H 1 100 VAL QG 2.900 . 4.000 2.628 1.971 3.126 . 0 0 "[ . 1 . 2]" 1
56 1 8 HIS HA 1 9 LEU HA 4.000 2.400 5.600 4.465 4.454 4.476 . 0 0 "[ . 1 . 2]" 1
57 1 8 HIS HA 1 9 LEU H 3.200 . 3.800 2.244 2.235 2.264 . 0 0 "[ . 1 . 2]" 1
58 1 8 HIS QB 1 60 PHE QB 4.100 . 5.700 5.937 5.766 6.201 0.501 4 1 "[ +. 1 . 2]" 1
59 1 8 HIS QB 1 62 MET HA 4.100 . 5.700 4.676 4.236 4.964 . 0 0 "[ . 1 . 2]" 1
60 1 8 HIS QB 1 62 MET QB 4.400 . 6.200 2.174 2.032 2.289 . 0 0 "[ . 1 . 2]" 1
61 1 8 HIS QB 1 62 MET QG 4.000 . 5.600 3.976 3.655 4.173 . 0 0 "[ . 1 . 2]" 1
62 1 8 HIS HA 1 96 LEU MD1 4.300 . 6.000 5.479 5.145 5.850 . 0 0 "[ . 1 . 2]" 1
63 1 8 HIS HA 1 97 ASP QB 3.700 . 5.200 3.184 2.228 4.040 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU HA 1 9 LEU MD1 2.700 . 3.800 3.329 3.299 3.366 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU MD1 1 9 LEU MD2 1.900 . 2.600 2.074 2.062 2.080 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU H 1 9 LEU MD1 3.500 . 4.900 4.690 4.637 4.719 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 9 LEU MD2 3.900 . 4.200 4.183 4.121 4.239 0.039 10 0 "[ . 1 . 2]" 1
68 1 9 LEU MD1 1 10 VAL H 2.900 . 3.800 3.949 3.867 4.049 0.249 4 0 "[ . 1 . 2]" 1
69 1 9 LEU MD2 1 11 VAL HA 3.600 . 5.000 3.718 3.573 3.931 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU MD2 1 11 VAL MG1 2.200 . 3.100 3.346 3.183 3.511 0.411 11 0 "[ . 1 . 2]" 1
71 1 9 LEU HG 1 11 VAL MG2 3.600 . 5.100 4.107 3.988 4.219 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU MD1 1 60 PHE HA 3.800 . 5.300 5.212 4.803 5.421 0.121 8 0 "[ . 1 . 2]" 1
73 1 9 LEU MD1 1 60 PHE H 3.700 . 5.200 4.545 4.224 5.249 0.049 18 0 "[ . 1 . 2]" 1
74 1 9 LEU MD2 1 60 PHE HA 4.100 . 5.700 5.711 5.500 5.857 0.157 20 0 "[ . 1 . 2]" 1
75 1 9 LEU HA 1 61 SER HA 3.500 2.100 4.900 2.752 2.260 3.184 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HA 1 61 SER QB 3.600 . 5.000 4.655 3.918 5.062 0.062 20 0 "[ . 1 . 2]" 1
77 1 9 LEU QB 1 61 SER HA 4.100 . 5.700 3.352 2.971 3.657 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU MD1 1 61 SER HA 3.400 . 4.800 2.613 2.326 3.112 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU MD1 1 61 SER QB 3.400 . 4.500 2.709 2.208 3.201 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU QB 1 96 LEU MD1 3.300 . 4.500 2.204 2.034 2.439 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU MD1 1 96 LEU QB 3.800 . 5.300 4.512 4.197 4.930 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU MD2 1 96 LEU QB 3.300 . 4.600 3.773 3.246 4.105 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU MD2 1 96 LEU H 3.700 . 4.100 3.502 3.279 3.702 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL HA 1 10 VAL MG2 3.100 . 4.300 2.342 2.225 2.439 . 0 0 "[ . 1 . 2]" 1
85 1 10 VAL MG1 1 10 VAL MG2 2.300 . 3.200 2.048 1.985 2.081 . 0 0 "[ . 1 . 2]" 1
86 1 10 VAL H 1 10 VAL MG1 3.300 . 4.300 2.076 1.914 3.809 . 0 0 "[ . 1 . 2]" 1
87 1 10 VAL H 1 10 VAL MG2 3.700 . 5.200 3.843 2.959 3.921 . 0 0 "[ . 1 . 2]" 1
88 1 10 VAL MG1 1 11 VAL HA 3.300 . 4.600 3.785 3.663 4.030 . 0 0 "[ . 1 . 2]" 1
89 1 10 VAL H 1 11 VAL MG2 4.200 . 5.900 4.125 3.923 4.260 . 0 0 "[ . 1 . 2]" 1
90 1 10 VAL MG1 1 59 ALA MB 2.600 . 3.600 3.641 3.178 4.354 0.754 15 1 "[ . 1 + 2]" 1
91 1 10 VAL MG2 1 60 PHE H 3.100 . 4.300 4.406 4.020 4.555 0.255 15 0 "[ . 1 . 2]" 1
92 1 10 VAL HA 1 93 ILE MD 3.300 . 4.600 4.739 4.570 4.881 0.281 9 0 "[ . 1 . 2]" 1
93 1 10 VAL HB 1 93 ILE QG 3.900 . 5.400 4.659 4.408 5.450 0.050 15 0 "[ . 1 . 2]" 1
94 1 10 VAL HA 1 94 VAL MG2 3.700 . 5.200 5.485 3.610 5.752 0.552 4 3 "[ +. 1 - . * 2]" 1
95 1 10 VAL HA 1 95 LEU HA 3.700 2.200 5.200 2.262 2.188 2.319 0.012 4 0 "[ . 1 . 2]" 1
96 1 10 VAL HB 1 95 LEU HG 3.400 . 4.800 3.616 3.193 4.811 0.011 15 0 "[ . 1 . 2]" 1
97 1 10 VAL MG1 1 95 LEU HA 3.900 . 5.500 4.889 3.840 5.055 . 0 0 "[ . 1 . 2]" 1
98 1 10 VAL MG1 1 95 LEU QB 3.600 . 5.000 4.859 4.064 5.035 0.035 7 0 "[ . 1 . 2]" 1
99 1 10 VAL MG1 1 95 LEU MD2 2.800 . 3.900 3.963 3.249 4.193 0.293 11 0 "[ . 1 . 2]" 1
100 1 10 VAL MG1 1 95 LEU HG 3.600 . 5.100 4.622 2.669 4.972 . 0 0 "[ . 1 . 2]" 1
101 1 10 VAL MG2 1 95 LEU HA 3.800 . 5.300 3.618 2.860 3.912 . 0 0 "[ . 1 . 2]" 1
102 1 10 VAL H 1 95 LEU QB 3.600 . 5.000 5.121 4.862 5.387 0.387 19 0 "[ . 1 . 2]" 1
103 1 10 VAL HA 1 96 LEU MD1 3.700 . 5.200 3.588 3.044 3.909 . 0 0 "[ . 1 . 2]" 1
104 1 10 VAL H 1 96 LEU MD1 3.900 . 5.500 4.460 4.135 4.775 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL HA 1 11 VAL MG1 3.000 . 4.200 2.181 2.128 2.232 . 0 0 "[ . 1 . 2]" 1
106 1 11 VAL HA 1 11 VAL MG2 3.000 . 4.200 2.681 2.630 2.767 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL H 1 11 VAL HB 3.700 . 4.200 3.020 2.890 3.152 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL H 1 11 VAL MG1 3.700 . 5.200 3.906 3.872 3.934 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL H 1 11 VAL MG2 3.200 . 4.300 2.222 2.116 2.330 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL HA 1 12 VAL MG1 3.000 . 4.200 3.209 3.068 3.546 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL HB 1 12 VAL MG1 3.200 . 4.500 4.419 4.324 4.528 0.028 15 0 "[ . 1 . 2]" 1
112 1 11 VAL MG1 1 12 VAL HB 4.000 . 5.600 5.844 5.674 5.991 0.391 9 0 "[ . 1 . 2]" 1
113 1 11 VAL MG1 1 12 VAL H 3.100 . 3.900 2.708 2.625 2.857 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL MG2 1 12 VAL HA 4.300 . 6.000 5.318 5.202 5.382 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL MG2 1 12 VAL H 3.300 . 4.600 4.390 4.345 4.426 . 0 0 "[ . 1 . 2]" 1
116 1 11 VAL H 1 12 VAL MG2 4.100 . 5.800 5.346 4.951 5.557 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL MG1 1 56 PHE QB 3.400 . 4.600 2.464 1.972 3.073 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL MG1 1 57 THR H 4.200 . 5.900 4.375 3.728 5.154 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL HA 1 59 ALA HA 3.300 . 4.600 2.800 2.373 3.032 . 0 0 "[ . 1 . 2]" 1
120 1 11 VAL MG1 1 59 ALA HA 3.700 . 5.200 3.909 3.549 4.264 . 0 0 "[ . 1 . 2]" 1
121 1 11 VAL MG1 1 59 ALA H 3.700 . 5.200 5.006 4.594 5.329 0.129 7 0 "[ . 1 . 2]" 1
122 1 11 VAL MG2 1 59 ALA HA 3.400 . 4.700 4.564 4.313 4.839 0.139 3 0 "[ . 1 . 2]" 1
123 1 11 VAL HB 1 93 ILE HA 4.300 2.600 6.000 5.621 5.424 5.807 . 0 0 "[ . 1 . 2]" 1
124 1 11 VAL HB 1 93 ILE QG 4.500 . 6.300 6.408 6.142 6.631 0.331 9 0 "[ . 1 . 2]" 1
125 1 11 VAL MG2 1 93 ILE HA 4.100 . 5.700 5.869 5.752 5.953 0.253 2 0 "[ . 1 . 2]" 1
126 1 11 VAL H 1 93 ILE MD 4.000 . 5.600 4.482 4.197 4.686 . 0 0 "[ . 1 . 2]" 1
127 1 11 VAL HA 1 94 VAL MG2 4.300 . 6.000 5.326 3.738 6.261 0.261 11 0 "[ . 1 . 2]" 1
128 1 11 VAL HB 1 94 VAL MG2 3.300 . 4.600 3.245 2.074 4.278 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL HB 1 94 VAL H 4.000 2.400 5.600 4.101 3.846 4.564 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL MG2 1 94 VAL HB 3.300 . 4.600 2.671 2.311 4.707 0.107 11 0 "[ . 1 . 2]" 1
131 1 11 VAL MG2 1 94 VAL MG1 2.200 . 3.100 2.922 2.120 3.976 0.876 9 1 "[ . +1 . 2]" 1
132 1 11 VAL MG2 1 94 VAL MG2 2.700 . 3.800 3.705 1.968 3.883 0.083 20 0 "[ . 1 . 2]" 1
133 1 11 VAL H 1 95 LEU HA 4.000 2.400 5.300 3.534 3.359 3.820 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL H 1 95 LEU MD2 4.400 . 6.100 4.962 4.684 5.331 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL MG2 1 96 LEU MD1 3.200 . 4.500 2.413 2.034 2.653 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL HA 1 12 VAL MG2 3.200 . 4.500 3.169 3.154 3.183 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL HB 1 12 VAL MG1 2.400 . 3.300 2.152 2.143 2.156 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL H 1 12 VAL HB 3.500 . 4.900 3.870 3.833 3.905 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL H 1 12 VAL MG1 3.000 . 4.000 2.559 2.400 2.923 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL H 1 12 VAL MG2 3.500 . 4.900 2.181 2.022 2.318 . 0 0 "[ . 1 . 2]" 1
141 1 12 VAL HA 1 13 LYS HA 4.100 2.500 5.700 4.478 4.435 4.523 . 0 0 "[ . 1 . 2]" 1
142 1 12 VAL HA 1 13 LYS QB 4.000 . 5.600 4.042 3.936 4.381 . 0 0 "[ . 1 . 2]" 1
143 1 12 VAL HA 1 13 LYS H 3.200 . 3.900 2.277 2.167 2.372 . 0 0 "[ . 1 . 2]" 1
144 1 12 VAL HB 1 13 LYS H 3.600 2.200 4.500 2.671 2.405 2.991 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL MG1 1 13 LYS H 3.300 . 4.600 3.916 3.736 4.088 . 0 0 "[ . 1 . 2]" 1
146 1 12 VAL MG2 1 13 LYS HA 3.400 . 4.800 3.554 3.330 3.840 . 0 0 "[ . 1 . 2]" 1
147 1 12 VAL MG2 1 13 LYS QB 3.500 . 4.900 4.626 4.434 5.081 0.181 11 0 "[ . 1 . 2]" 1
148 1 12 VAL MG2 1 13 LYS H 3.200 . 4.200 3.309 3.084 3.733 . 0 0 "[ . 1 . 2]" 1
149 1 12 VAL MG2 1 18 THR MG 2.400 . 3.400 3.537 2.987 4.158 0.758 12 1 "[ . 1 + . 2]" 1
150 1 12 VAL MG2 1 56 PHE QB 4.100 . 5.500 4.576 3.960 5.267 . 0 0 "[ . 1 . 2]" 1
151 1 12 VAL MG2 1 58 HIS QB 4.100 . 5.200 3.203 2.577 4.092 . 0 0 "[ . 1 . 2]" 1
152 1 12 VAL H 1 59 ALA HA 3.600 2.200 5.000 3.337 2.739 3.719 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL HB 1 90 ILE QG 3.200 . 4.500 2.540 1.966 3.484 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL HB 1 90 ILE MG 3.200 . 4.500 2.204 1.997 2.766 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL MG1 1 90 ILE QG 2.500 . 3.500 2.853 2.239 3.241 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL MG1 1 92 LYS QE 3.400 . 4.700 4.788 4.398 5.145 0.445 1 0 "[ . 1 . 2]" 1
157 1 12 VAL MG1 1 92 LYS QG 3.000 . 4.200 4.107 3.782 4.454 0.254 12 0 "[ . 1 . 2]" 1
158 1 12 VAL HA 1 93 ILE HA 3.800 2.300 5.300 3.306 3.195 3.397 . 0 0 "[ . 1 . 2]" 1
159 1 12 VAL HA 1 93 ILE MD 4.200 . 5.900 4.017 3.724 4.302 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL HA 1 93 ILE QG 3.700 . 5.200 5.236 4.955 5.403 0.203 14 0 "[ . 1 . 2]" 1
161 1 12 VAL HB 1 93 ILE MD 3.300 . 4.600 3.383 2.938 3.700 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL MG1 1 93 ILE QG 2.500 . 3.500 3.382 2.943 3.724 0.224 15 0 "[ . 1 . 2]" 1
163 1 12 VAL MG2 1 93 ILE HA 4.200 . 5.900 5.006 4.706 5.294 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL MG1 1 94 VAL H 3.800 . 5.300 2.979 2.616 3.342 . 0 0 "[ . 1 . 2]" 1
165 1 13 LYS HA 1 13 LYS QG 3.600 . 5.000 2.460 2.184 2.979 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS QD 1 13 LYS QE 2.100 . 2.900 2.056 1.972 2.107 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS QE 1 13 LYS QG 3.100 . 4.300 2.250 2.103 2.543 . 0 0 "[ . 1 . 2]" 1
168 1 13 LYS H 1 13 LYS QG 4.100 . 5.700 3.869 2.850 4.230 . 0 0 "[ . 1 . 2]" 1
169 1 13 LYS HA 1 14 PHE QB 4.200 . 5.900 4.157 4.007 4.611 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS QD 1 56 PHE QB 2.600 . 3.600 3.813 3.536 4.333 0.733 4 1 "[ +. 1 . 2]" 1
171 1 13 LYS QE 1 56 PHE HA 3.100 . 4.300 3.370 2.257 4.184 . 0 0 "[ . 1 . 2]" 1
172 1 13 LYS QG 1 56 PHE HA 3.200 . 4.500 3.568 2.045 4.600 0.100 19 0 "[ . 1 . 2]" 1
173 1 13 LYS H 1 57 THR MG 3.800 . 5.300 4.743 3.982 5.654 0.354 5 0 "[ . 1 . 2]" 1
174 1 13 LYS QB 1 91 ASP QB 3.400 . 4.600 2.773 2.187 3.612 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS QD 1 91 ASP QB 3.700 . 5.200 4.910 4.055 5.538 0.338 6 0 "[ . 1 . 2]" 1
176 1 13 LYS QG 1 91 ASP QB 3.800 . 5.300 3.822 2.511 5.447 0.147 5 0 "[ . 1 . 2]" 1
177 1 13 LYS QG 1 92 LYS QE 3.900 . 5.500 3.770 2.275 5.491 . 0 0 "[ . 1 . 2]" 1
178 1 13 LYS H 1 93 ILE MD 4.200 . 5.100 5.109 4.777 5.353 0.253 14 0 "[ . 1 . 2]" 1
179 1 14 PHE HA 1 15 LYS HA 3.600 2.200 5.000 4.486 4.387 4.505 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE HA 1 18 THR HB 3.800 2.300 5.300 4.536 4.328 4.836 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE QB 1 18 THR HB 4.200 . 5.900 2.319 2.132 3.037 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE HA 1 57 THR MG 3.000 . 4.200 4.349 4.070 4.531 0.331 5 0 "[ . 1 . 2]" 1
183 1 15 LYS HA 1 15 LYS QE 4.400 . 6.200 5.339 4.252 5.699 . 0 0 "[ . 1 . 2]" 1
184 1 15 LYS HA 1 15 LYS QG 3.600 . 5.000 3.312 3.245 3.369 . 0 0 "[ . 1 . 2]" 1
185 1 15 LYS QE 1 16 GLU QG 3.300 . 4.600 3.717 2.583 4.804 0.204 13 0 "[ . 1 . 2]" 1
186 1 15 LYS H 1 17 ASP HA 3.500 2.100 4.900 5.190 5.078 5.372 0.472 12 0 "[ . 1 . 2]" 1
187 1 15 LYS HA 1 91 ASP QB 4.200 . 5.900 3.668 3.039 4.031 . 0 0 "[ . 1 . 2]" 1
188 1 15 LYS QB 1 91 ASP QB 3.800 . 5.200 2.324 2.149 3.583 . 0 0 "[ . 1 . 2]" 1
189 1 15 LYS QG 1 91 ASP HA 4.200 . 5.900 3.091 2.272 4.738 . 0 0 "[ . 1 . 2]" 1
190 1 15 LYS QG 1 91 ASP QB 4.100 . 5.700 2.563 2.093 3.476 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLU HA 1 16 GLU QB 2.400 . 3.400 2.403 2.351 2.463 . 0 0 "[ . 1 . 2]" 1
192 1 16 GLU HA 1 16 GLU QG 2.800 . 3.900 2.456 2.316 2.929 . 0 0 "[ . 1 . 2]" 1
193 1 16 GLU QB 1 16 GLU QG 2.300 . 3.200 2.095 2.029 2.110 . 0 0 "[ . 1 . 2]" 1
194 1 16 GLU H 1 16 GLU QG 3.300 . 4.600 3.164 2.230 4.137 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLU HA 1 17 ASP HA 3.700 2.200 5.200 5.001 4.951 5.027 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLU HA 1 17 ASP H 2.700 . 3.500 3.539 3.529 3.541 0.041 7 0 "[ . 1 . 2]" 1
197 1 16 GLU QB 1 17 ASP HA 3.700 . 5.200 4.460 4.407 4.537 . 0 0 "[ . 1 . 2]" 1
198 1 16 GLU QB 1 17 ASP QB 4.100 . 4.900 3.675 3.307 4.385 . 0 0 "[ . 1 . 2]" 1
199 1 16 GLU QB 1 17 ASP H 3.100 . 3.800 2.126 2.037 2.286 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLU QG 1 17 ASP QB 4.500 . 6.300 4.313 2.803 5.739 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLU H 1 17 ASP HA 4.000 2.400 5.600 4.481 4.439 4.650 . 0 0 "[ . 1 . 2]" 1
202 1 17 ASP H 1 17 ASP QB 3.400 . 3.900 3.204 3.120 3.529 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASP HA 1 18 THR MG 4.000 . 5.600 5.627 5.448 5.674 0.074 16 0 "[ . 1 . 2]" 1
204 1 17 ASP HA 1 18 THR H 3.500 2.100 3.900 2.484 2.220 2.597 . 0 0 "[ . 1 . 2]" 1
205 1 18 THR HA 1 18 THR MG 2.800 . 3.900 2.271 2.242 2.459 . 0 0 "[ . 1 . 2]" 1
206 1 18 THR H 1 18 THR HB . . 3.200 2.672 2.443 2.728 . 0 0 "[ . 1 . 2]" 1
207 1 18 THR HA 1 19 LYS HA 4.100 2.500 5.700 4.465 4.394 4.487 . 0 0 "[ . 1 . 2]" 1
208 1 18 THR HA 1 19 LYS QB 3.600 . 5.000 4.673 4.322 4.792 . 0 0 "[ . 1 . 2]" 1
209 1 18 THR HA 1 19 LYS QE 4.000 . 5.600 3.084 2.336 4.510 . 0 0 "[ . 1 . 2]" 1
210 1 18 THR HA 1 19 LYS QG 4.200 . 5.900 3.743 3.394 4.741 . 0 0 "[ . 1 . 2]" 1
211 1 18 THR HA 1 19 LYS H 3.300 . 4.100 2.141 2.121 2.266 . 0 0 "[ . 1 . 2]" 1
212 1 18 THR MG 1 19 LYS QB 4.300 . 6.000 4.430 3.718 4.653 . 0 0 "[ . 1 . 2]" 1
213 1 18 THR HA 1 20 VAL MG1 4.000 . 5.600 4.706 4.470 4.939 . 0 0 "[ . 1 . 2]" 1
214 1 18 THR HB 1 20 VAL MG2 3.400 . 4.800 5.065 4.917 5.246 0.446 12 0 "[ . 1 . 2]" 1
215 1 18 THR MG 1 20 VAL HA 3.200 . 4.500 2.770 2.667 2.880 . 0 0 "[ . 1 . 2]" 1
216 1 18 THR MG 1 20 VAL MG2 2.800 . 3.900 4.100 4.010 4.258 0.358 19 0 "[ . 1 . 2]" 1
217 1 18 THR MG 1 89 VAL HB 3.100 . 4.300 2.846 2.283 4.749 0.449 20 0 "[ . 1 . 2]" 1
218 1 19 LYS HA 1 19 LYS QB 2.600 . 3.600 2.233 2.192 2.411 . 0 0 "[ . 1 . 2]" 1
219 1 19 LYS HA 1 19 LYS QE 3.600 . 5.000 4.770 4.288 5.087 0.087 20 0 "[ . 1 . 2]" 1
220 1 19 LYS HA 1 19 LYS QG 3.000 . 4.200 3.044 2.256 3.396 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS QB 1 19 LYS QE 4.200 . 5.900 3.445 2.045 3.857 . 0 0 "[ . 1 . 2]" 1
222 1 19 LYS QD 1 19 LYS QG 2.300 . 3.200 2.085 2.030 2.106 . 0 0 "[ . 1 . 2]" 1
223 1 19 LYS H 1 19 LYS QE 4.000 . 5.600 2.444 2.012 3.409 . 0 0 "[ . 1 . 2]" 1
224 1 19 LYS H 1 19 LYS QG 4.300 . 4.900 2.041 1.761 3.075 . 0 0 "[ . 1 . 2]" 1
225 1 19 LYS HA 1 20 VAL MG2 3.200 . 4.500 3.524 3.431 3.614 . 0 0 "[ . 1 . 2]" 1
226 1 19 LYS HA 1 20 VAL H 2.700 . 3.500 2.319 2.278 2.365 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS QG 1 20 VAL H 4.400 . 5.000 4.547 4.367 4.770 . 0 0 "[ . 1 . 2]" 1
228 1 19 LYS HA 1 21 ASP H 2.700 . 3.800 3.665 3.551 3.805 0.005 16 0 "[ . 1 . 2]" 1
229 1 19 LYS QB 1 21 ASP QB 3.800 . 5.300 4.465 3.851 5.151 . 0 0 "[ . 1 . 2]" 1
230 1 19 LYS HA 1 22 GLU QB 3.000 . 4.200 4.508 4.239 4.766 0.566 17 3 "[ . 1 -* + 2]" 1
231 1 19 LYS QB 1 22 GLU QG 3.000 . 4.200 3.138 2.162 4.117 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS QB 1 22 GLU H . . 3.900 2.524 2.357 2.879 . 0 0 "[ . 1 . 2]" 1
233 1 19 LYS QG 1 22 GLU QB 4.100 . 5.700 2.860 2.126 3.631 . 0 0 "[ . 1 . 2]" 1
234 1 19 LYS H 1 22 GLU QB 3.300 . 4.600 4.552 4.206 4.848 0.248 20 0 "[ . 1 . 2]" 1
235 1 19 LYS QE 1 23 ILE H 3.900 . 5.500 5.509 5.178 5.760 0.260 1 0 "[ . 1 . 2]" 1
236 1 19 LYS QE 1 89 VAL HA 2.900 . 4.000 4.092 3.398 4.561 0.561 8 1 "[ . + 1 . 2]" 1
237 1 20 VAL HA 1 20 VAL MG2 2.500 . 3.500 3.186 3.179 3.190 . 0 0 "[ . 1 . 2]" 1
238 1 20 VAL HB 1 20 VAL MG1 2.300 . 3.200 2.148 2.145 2.154 . 0 0 "[ . 1 . 2]" 1
239 1 20 VAL HB 1 20 VAL MG2 2.400 . 3.400 2.151 2.146 2.154 . 0 0 "[ . 1 . 2]" 1
240 1 20 VAL H 1 20 VAL HB 3.000 . 3.600 3.599 3.590 3.603 0.003 20 0 "[ . 1 . 2]" 1
241 1 20 VAL H 1 20 VAL MG2 2.600 . 3.600 1.863 1.750 1.985 . 0 0 "[ . 1 . 2]" 1
242 1 20 VAL HB 1 21 ASP H 3.600 2.200 3.600 3.646 3.569 3.699 0.099 13 0 "[ . 1 . 2]" 1
243 1 20 VAL MG2 1 21 ASP HA 3.500 . 4.900 3.289 3.143 3.472 . 0 0 "[ . 1 . 2]" 1
244 1 20 VAL MG2 1 21 ASP H 3.700 . 3.800 1.939 1.828 2.038 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL HA 1 23 ILE HB 3.400 . 4.800 2.113 2.037 2.182 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL HA 1 23 ILE MD 4.100 . 5.700 3.646 2.234 4.566 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL HA 1 23 ILE QG 3.700 . 4.900 3.265 2.752 3.755 . 0 0 "[ . 1 . 2]" 1
248 1 20 VAL HA 1 23 ILE MG 3.600 . 5.000 3.221 3.031 3.416 . 0 0 "[ . 1 . 2]" 1
249 1 20 VAL HA 1 23 ILE H 3.600 2.200 5.000 3.408 3.296 3.511 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL MG1 1 23 ILE MD 4.000 . 5.600 4.411 3.015 5.284 . 0 0 "[ . 1 . 2]" 1
251 1 20 VAL MG2 1 23 ILE HB 4.000 . 5.600 4.595 4.532 4.663 . 0 0 "[ . 1 . 2]" 1
252 1 20 VAL MG2 1 23 ILE QG 3.900 . 5.400 5.357 5.065 5.595 0.195 6 0 "[ . 1 . 2]" 1
253 1 20 VAL MG2 1 23 ILE MG 3.300 . 4.600 5.073 4.902 5.145 0.545 6 5 "[ -.+ 1 **. * 2]" 1
254 1 20 VAL HB 1 24 LEU MD1 4.000 . 5.600 4.678 4.314 5.832 0.232 10 0 "[ . 1 . 2]" 1
255 1 20 VAL MG2 1 24 LEU MD1 3.400 . 4.700 4.812 4.706 5.250 0.550 19 2 "[ . - . +2]" 1
256 1 21 ASP HA 1 21 ASP QB 2.600 . 3.500 2.279 2.192 2.395 . 0 0 "[ . 1 . 2]" 1
257 1 21 ASP H 1 21 ASP QB 3.000 . 4.200 2.445 2.394 2.523 . 0 0 "[ . 1 . 2]" 1
258 1 21 ASP HA 1 22 GLU H 3.500 2.100 4.900 3.588 3.571 3.601 . 0 0 "[ . 1 . 2]" 1
259 1 21 ASP QB 1 22 GLU H 3.600 . 4.300 3.012 2.495 3.462 . 0 0 "[ . 1 . 2]" 1
260 1 21 ASP HA 1 24 LEU QB 2.900 . 4.000 2.209 2.128 2.306 . 0 0 "[ . 1 . 2]" 1
261 1 21 ASP HA 1 24 LEU MD1 3.000 . 4.200 3.879 3.403 4.247 0.047 11 0 "[ . 1 . 2]" 1
262 1 21 ASP HA 1 24 LEU HG 4.400 2.600 6.200 4.788 4.061 5.063 . 0 0 "[ . 1 . 2]" 1
263 1 21 ASP QB 1 24 LEU HG 4.200 . 5.900 6.053 5.860 6.205 0.305 18 0 "[ . 1 . 2]" 1
264 1 21 ASP HA 1 25 LYS H 3.600 2.200 5.000 4.281 3.696 4.623 . 0 0 "[ . 1 . 2]" 1
265 1 22 GLU HA 1 22 GLU QB 2.400 . 3.300 2.429 2.382 2.464 . 0 0 "[ . 1 . 2]" 1
266 1 22 GLU HA 1 22 GLU QG 2.700 . 3.800 2.404 2.226 2.842 . 0 0 "[ . 1 . 2]" 1
267 1 22 GLU QB 1 22 GLU QG 2.100 . 2.900 2.073 2.008 2.108 . 0 0 "[ . 1 . 2]" 1
268 1 22 GLU H 1 22 GLU QG 3.100 . 3.700 3.133 2.220 3.991 0.291 13 0 "[ . 1 . 2]" 1
269 1 22 GLU HA 1 25 LYS QB 2.300 . 3.200 2.855 2.514 3.237 0.037 6 0 "[ . 1 . 2]" 1
270 1 22 GLU HA 1 25 LYS QD 3.000 . 4.200 3.899 2.698 4.689 0.489 14 0 "[ . 1 . 2]" 1
271 1 22 GLU QB 1 25 LYS QE 3.300 . 4.600 4.657 4.100 4.999 0.399 8 0 "[ . 1 . 2]" 1
272 1 23 ILE HA 1 23 ILE MD 2.900 . 4.000 2.719 2.041 3.786 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE HA 1 23 ILE MG 3.000 . 4.200 2.583 2.530 2.697 . 0 0 "[ . 1 . 2]" 1
274 1 23 ILE HB 1 23 ILE MD 3.500 . 4.900 2.834 2.296 3.182 . 0 0 "[ . 1 . 2]" 1
275 1 23 ILE H 1 23 ILE HB 3.600 . 3.800 2.173 2.093 2.212 . 0 0 "[ . 1 . 2]" 1
276 1 23 ILE MD 1 23 ILE MG 2.600 . 3.600 1.872 1.714 3.223 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE H 1 23 ILE QG 4.000 . 4.200 2.706 2.563 3.541 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE HB 1 24 LEU H 4.000 2.400 4.600 2.590 2.420 2.724 . 0 0 "[ . 1 . 2]" 1
279 1 23 ILE MG 1 24 LEU H 4.000 . 5.600 2.936 2.659 3.104 . 0 0 "[ . 1 . 2]" 1
280 1 23 ILE QG 1 26 GLY HA3 4.600 . 6.400 5.633 5.158 6.093 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE MG 1 27 LEU QB 3.400 . 4.800 3.466 2.708 4.041 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE MG 1 27 LEU MD1 3.300 . 4.600 4.338 2.205 5.020 0.420 2 0 "[ . 1 . 2]" 1
283 1 23 ILE MD 1 89 VAL MG2 2.800 . 3.900 2.201 1.959 2.544 . 0 0 "[ . 1 . 2]" 1
284 1 24 LEU HA 1 24 LEU MD1 2.700 . 3.800 2.297 2.162 3.217 . 0 0 "[ . 1 . 2]" 1
285 1 24 LEU HA 1 24 LEU HG 2.900 . 4.100 2.745 2.507 3.669 . 0 0 "[ . 1 . 2]" 1
286 1 24 LEU H 1 24 LEU QB . . 3.900 2.191 2.145 2.224 . 0 0 "[ . 1 . 2]" 1
287 1 24 LEU H 1 24 LEU MD1 3.800 . 5.300 3.835 3.689 3.938 . 0 0 "[ . 1 . 2]" 1
288 1 24 LEU H 1 24 LEU HG 3.700 . 5.200 4.464 4.432 4.617 . 0 0 "[ . 1 . 2]" 1
289 1 24 LEU HA 1 25 LYS HA 3.900 2.400 5.400 4.828 4.801 4.859 . 0 0 "[ . 1 . 2]" 1
290 1 24 LEU HG 1 25 LYS HA 3.800 2.300 5.300 4.331 3.971 5.354 0.054 19 0 "[ . 1 . 2]" 1
291 1 24 LEU HG 1 26 GLY H 3.900 2.300 5.500 5.506 5.160 6.450 0.950 10 2 "[ . + . -2]" 1
292 1 24 LEU HA 1 27 LEU QB 3.800 . 5.300 2.367 2.056 2.957 . 0 0 "[ . 1 . 2]" 1
293 1 24 LEU HA 1 27 LEU MD1 3.600 . 5.100 3.824 2.262 4.977 . 0 0 "[ . 1 . 2]" 1
294 1 24 LEU HA 1 27 LEU MD2 4.200 . 5.900 4.465 3.262 5.054 . 0 0 "[ . 1 . 2]" 1
295 1 24 LEU HA 1 27 LEU H 4.400 2.600 5.200 3.071 2.825 3.279 . 0 0 "[ . 1 . 2]" 1
296 1 24 LEU MD1 1 27 LEU QB 3.200 . 4.500 2.864 2.572 3.765 . 0 0 "[ . 1 . 2]" 1
297 1 24 LEU HG 1 27 LEU QB 4.200 . 5.400 3.497 2.790 5.212 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU HA 1 28 GLU QG 3.600 . 5.100 4.529 4.020 4.916 . 0 0 "[ . 1 . 2]" 1
299 1 24 LEU MD1 1 28 GLU QB 4.000 . 5.600 5.146 4.134 5.996 0.396 11 0 "[ . 1 . 2]" 1
300 1 24 LEU MD1 1 28 GLU QG 4.000 . 5.600 4.351 2.367 5.402 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS HA 1 25 LYS QD 2.900 . 4.100 4.005 3.498 4.219 0.119 8 0 "[ . 1 . 2]" 1
302 1 25 LYS HA 1 25 LYS QE 4.000 . 5.600 3.627 2.575 4.766 . 0 0 "[ . 1 . 2]" 1
303 1 25 LYS HA 1 25 LYS QG 2.900 . 4.100 2.362 1.938 3.369 . 0 0 "[ . 1 . 2]" 1
304 1 25 LYS H 1 25 LYS HA 2.700 . 3.800 2.864 2.848 2.877 . 0 0 "[ . 1 . 2]" 1
305 1 25 LYS QB 1 25 LYS QE 2.900 . 4.100 2.336 2.085 3.612 . 0 0 "[ . 1 . 2]" 1
306 1 25 LYS QD 1 25 LYS QG 2.200 . 3.100 2.042 2.027 2.091 . 0 0 "[ . 1 . 2]" 1
307 1 25 LYS H 1 25 LYS QD 3.500 . 4.900 4.386 3.510 4.744 . 0 0 "[ . 1 . 2]" 1
308 1 25 LYS QE 1 25 LYS QG 3.200 . 4.500 2.268 2.108 2.814 . 0 0 "[ . 1 . 2]" 1
309 1 25 LYS H 1 25 LYS QG 3.500 . 4.100 3.750 2.394 4.028 . 0 0 "[ . 1 . 2]" 1
310 1 25 LYS QE 1 26 GLY H 4.200 . 5.900 3.339 2.816 4.350 . 0 0 "[ . 1 . 2]" 1
311 1 25 LYS QE 1 27 LEU QB 4.200 . 5.900 6.051 5.729 6.344 0.444 4 0 "[ . 1 . 2]" 1
312 1 25 LYS QB 1 28 GLU QG 3.400 . 4.800 4.256 3.748 4.951 0.151 7 0 "[ . 1 . 2]" 1
313 1 25 LYS QE 1 28 GLU QG 3.300 . 4.600 4.631 4.219 5.026 0.426 8 0 "[ . 1 . 2]" 1
314 1 26 GLY HA3 1 27 LEU H 3.900 2.300 5.500 2.716 2.642 3.013 . 0 0 "[ . 1 . 2]" 1
315 1 26 GLY HA2 1 27 LEU H 4.300 2.600 6.000 3.568 3.478 3.581 . 0 0 "[ . 1 . 2]" 1
316 1 26 GLY HA3 1 29 ASN QB 3.400 . 4.800 3.840 3.472 4.553 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLY HA2 1 29 ASN QB 4.100 . 5.800 2.478 2.025 3.245 . 0 0 "[ . 1 . 2]" 1
318 1 27 LEU HA 1 27 LEU MD1 3.400 . 4.800 3.160 2.110 3.823 . 0 0 "[ . 1 . 2]" 1
319 1 27 LEU HA 1 27 LEU MD2 2.900 . 4.000 2.458 2.071 3.051 . 0 0 "[ . 1 . 2]" 1
320 1 27 LEU HA 1 27 LEU HG 3.700 . 5.200 2.760 2.181 3.605 . 0 0 "[ . 1 . 2]" 1
321 1 27 LEU QB 1 27 LEU MD1 2.900 . 4.100 2.164 2.085 2.315 . 0 0 "[ . 1 . 2]" 1
322 1 27 LEU QB 1 27 LEU MD2 2.900 . 4.100 2.161 2.040 2.291 . 0 0 "[ . 1 . 2]" 1
323 1 27 LEU H 1 27 LEU MD1 3.700 . 5.200 4.134 3.315 4.285 . 0 0 "[ . 1 . 2]" 1
324 1 27 LEU H 1 27 LEU MD2 3.700 . 5.200 3.822 2.057 4.341 . 0 0 "[ . 1 . 2]" 1
325 1 27 LEU H 1 27 LEU HG 3.800 . 4.300 4.192 2.280 4.611 0.311 15 0 "[ . 1 . 2]" 1
326 1 27 LEU QB 1 28 GLU HA 3.400 . 4.800 3.925 3.795 4.064 . 0 0 "[ . 1 . 2]" 1
327 1 27 LEU QB 1 28 GLU QG 3.500 . 4.700 3.643 3.277 4.302 . 0 0 "[ . 1 . 2]" 1
328 1 27 LEU HA 1 30 LEU QB 4.200 . 4.800 2.158 1.943 2.346 . 0 0 "[ . 1 . 2]" 1
329 1 27 LEU HA 1 30 LEU MD1 3.100 . 4.300 4.496 3.245 4.867 0.567 19 2 "[ . 1 .- +2]" 1
330 1 27 LEU HA 1 30 LEU MD2 3.300 . 4.600 3.472 2.394 5.043 0.443 15 0 "[ . 1 . 2]" 1
331 1 27 LEU HA 1 30 LEU HG 3.400 . 4.800 3.611 2.932 4.129 . 0 0 "[ . 1 . 2]" 1
332 1 27 LEU HA 1 30 LEU H 3.900 2.300 4.600 3.022 2.858 3.200 . 0 0 "[ . 1 . 2]" 1
333 1 27 LEU MD1 1 30 LEU MD2 3.500 . 4.900 4.872 3.667 5.368 0.468 7 0 "[ . 1 . 2]" 1
334 1 27 LEU MD2 1 30 LEU MD1 3.000 . 4.200 4.127 2.311 4.488 0.288 13 0 "[ . 1 . 2]" 1
335 1 27 LEU MD2 1 30 LEU MD2 3.500 . 4.900 4.174 3.628 4.846 . 0 0 "[ . 1 . 2]" 1
336 1 27 LEU HG 1 30 LEU QB 3.700 . 5.200 3.795 2.628 4.989 . 0 0 "[ . 1 . 2]" 1
337 1 27 LEU HG 1 30 LEU MD1 4.000 . 5.600 5.346 4.332 6.270 0.670 5 2 "[ + 1 . - 2]" 1
338 1 27 LEU MD1 1 31 VAL MG2 3.700 . 5.200 3.920 2.173 5.510 0.310 7 0 "[ . 1 . 2]" 1
339 1 27 LEU MD2 1 78 LEU MD2 4.100 . 5.700 5.621 5.284 5.933 0.233 11 0 "[ . 1 . 2]" 1
340 1 28 GLU HA 1 28 GLU QG 3.600 . 3.800 2.909 2.319 3.380 . 0 0 "[ . 1 . 2]" 1
341 1 28 GLU H 1 28 GLU QB 3.700 . 5.200 2.536 2.357 2.648 . 0 0 "[ . 1 . 2]" 1
342 1 28 GLU H 1 28 GLU QG 3.500 . 3.500 2.059 1.823 2.441 . 0 0 "[ . 1 . 2]" 1
343 1 28 GLU HA 1 29 ASN H 3.700 2.200 5.200 3.533 3.501 3.555 . 0 0 "[ . 1 . 2]" 1
344 1 28 GLU HA 1 31 VAL HB 3.500 2.100 4.900 3.298 2.936 3.701 . 0 0 "[ . 1 . 2]" 1
345 1 28 GLU HA 1 31 VAL MG2 2.800 . 3.900 2.444 2.141 2.908 . 0 0 "[ . 1 . 2]" 1
346 1 28 GLU H 1 31 VAL MG2 4.300 . 5.300 4.390 4.118 4.869 . 0 0 "[ . 1 . 2]" 1
347 1 29 ASN H 1 29 ASN HA 2.900 . 3.900 2.861 2.822 2.890 . 0 0 "[ . 1 . 2]" 1
348 1 29 ASN H 1 29 ASN QB 2.900 . 3.400 2.200 2.025 2.534 . 0 0 "[ . 1 . 2]" 1
349 1 29 ASN HA 1 30 LEU HA 3.700 2.200 5.200 4.949 4.911 4.970 . 0 0 "[ . 1 . 2]" 1
350 1 29 ASN HA 1 30 LEU H 3.300 . 4.600 3.556 3.548 3.566 . 0 0 "[ . 1 . 2]" 1
351 1 29 ASN QB 1 30 LEU H 3.000 . 3.800 2.731 2.388 3.307 . 0 0 "[ . 1 . 2]" 1
352 1 29 ASN QB 1 30 LEU HA 4.300 . 6.000 4.307 3.807 4.767 . 0 0 "[ . 1 . 2]" 1
353 1 29 ASN QB 1 30 LEU QB 3.500 . 4.900 4.336 3.970 4.797 . 0 0 "[ . 1 . 2]" 1
354 1 29 ASN HA 1 78 LEU MD1 3.500 . 4.900 4.640 3.798 5.429 0.529 17 1 "[ . 1 . + 2]" 1
355 1 29 ASN QB 1 78 LEU QB 4.100 . 5.700 5.501 4.329 6.186 0.486 3 0 "[ . 1 . 2]" 1
356 1 29 ASN HD22 1 78 LEU MD1 3.200 . 4.500 3.349 1.566 4.792 0.292 14 0 "[ . 1 . 2]" 1
357 1 30 LEU HA 1 30 LEU MD1 2.800 . 3.900 2.353 2.042 3.720 . 0 0 "[ . 1 . 2]" 1
358 1 30 LEU HA 1 30 LEU MD2 3.600 . 5.000 2.119 1.944 2.283 . 0 0 "[ . 1 . 2]" 1
359 1 30 LEU HA 1 30 LEU HG 2.900 . 4.000 3.553 2.600 3.650 . 0 0 "[ . 1 . 2]" 1
360 1 30 LEU QB 1 30 LEU MD1 2.800 . 3.900 2.245 2.121 2.354 . 0 0 "[ . 1 . 2]" 1
361 1 30 LEU QB 1 30 LEU HG 2.500 . 3.500 2.195 2.184 2.299 . 0 0 "[ . 1 . 2]" 1
362 1 30 LEU H 1 30 LEU QB 3.500 . 3.500 2.123 2.038 2.217 . 0 0 "[ . 1 . 2]" 1
363 1 30 LEU MD1 1 30 LEU MD2 1.800 . 2.500 1.997 1.959 2.064 . 0 0 "[ . 1 . 2]" 1
364 1 30 LEU H 1 30 LEU MD1 3.500 . 4.200 4.109 3.828 4.254 0.054 5 0 "[ . 1 . 2]" 1
365 1 30 LEU H 1 30 LEU MD2 3.600 . 5.100 2.963 1.936 4.053 . 0 0 "[ . 1 . 2]" 1
366 1 30 LEU H 1 30 LEU HG 4.200 . 5.900 4.294 3.653 4.598 . 0 0 "[ . 1 . 2]" 1
367 1 30 LEU HA 1 31 VAL H 3.800 2.300 5.300 3.579 3.567 3.589 . 0 0 "[ . 1 . 2]" 1
368 1 30 LEU QB 1 31 VAL HA 3.600 . 5.100 3.839 3.720 4.018 . 0 0 "[ . 1 . 2]" 1
369 1 30 LEU QB 1 31 VAL MG2 3.200 . 4.500 3.194 2.988 3.386 . 0 0 "[ . 1 . 2]" 1
370 1 30 LEU QB 1 31 VAL H 3.600 . 4.300 2.466 2.340 2.560 . 0 0 "[ . 1 . 2]" 1
371 1 30 LEU MD2 1 32 SER QB 3.600 . 5.000 4.997 4.575 5.336 0.336 9 0 "[ . 1 . 2]" 1
372 1 30 LEU HA 1 33 GLN QB 4.400 . 6.200 4.432 3.542 4.939 . 0 0 "[ . 1 . 2]" 1
373 1 30 LEU HA 1 33 GLN QG 4.100 . 5.800 3.670 2.973 5.204 . 0 0 "[ . 1 . 2]" 1
374 1 30 LEU MD1 1 33 GLN QB 2.900 . 4.100 3.521 2.738 4.623 0.523 15 1 "[ . 1 + 2]" 1
375 1 30 LEU HG 1 33 GLN QG 4.100 . 5.700 5.680 5.221 6.207 0.507 3 1 "[ + . 1 . 2]" 1
376 1 30 LEU MD1 1 41 GLU QG 4.000 . 5.600 4.469 3.306 5.178 . 0 0 "[ . 1 . 2]" 1
377 1 30 LEU MD1 1 62 MET QG 3.500 . 4.900 5.036 4.759 5.209 0.309 13 0 "[ . 1 . 2]" 1
378 1 30 LEU MD1 1 73 PHE HA 3.500 . 4.900 4.252 3.572 4.983 0.083 18 0 "[ . 1 . 2]" 1
379 1 30 LEU HA 1 78 LEU QB 3.600 . 5.100 4.307 3.969 4.533 . 0 0 "[ . 1 . 2]" 1
380 1 30 LEU HA 1 78 LEU MD1 3.500 . 4.900 4.078 3.319 4.579 . 0 0 "[ . 1 . 2]" 1
381 1 30 LEU MD1 1 78 LEU QB 3.300 . 4.600 4.120 3.172 4.941 0.341 15 0 "[ . 1 . 2]" 1
382 1 30 LEU MD1 1 78 LEU MD2 2.800 . 3.900 2.718 2.129 3.724 . 0 0 "[ . 1 . 2]" 1
383 1 30 LEU MD2 1 78 LEU HA 4.300 . 6.000 5.108 4.788 5.551 . 0 0 "[ . 1 . 2]" 1
384 1 30 LEU MD2 1 78 LEU QB 3.400 . 4.700 3.547 2.950 3.976 . 0 0 "[ . 1 . 2]" 1
385 1 30 LEU MD2 1 78 LEU MD1 3.600 . 5.000 3.809 3.257 4.454 . 0 0 "[ . 1 . 2]" 1
386 1 30 LEU MD2 1 78 LEU HG 3.900 . 5.500 3.379 2.462 4.311 . 0 0 "[ . 1 . 2]" 1
387 1 30 LEU HG 1 78 LEU MD2 2.700 . 3.800 4.105 2.262 4.508 0.708 12 4 "[* * - + . 2]" 1
388 1 30 LEU H 1 78 LEU MD2 3.300 . 4.600 3.282 2.869 3.641 . 0 0 "[ . 1 . 2]" 1
389 1 30 LEU MD1 1 79 HIS HA 3.300 . 4.600 4.577 3.641 5.047 0.447 5 0 "[ . 1 . 2]" 1
390 1 30 LEU MD1 1 79 HIS QB 4.000 . 5.300 4.096 3.065 4.600 . 0 0 "[ . 1 . 2]" 1
391 1 30 LEU MD2 1 79 HIS HA 2.900 . 4.100 3.427 2.640 4.452 0.352 15 0 "[ . 1 . 2]" 1
392 1 30 LEU MD2 1 79 HIS H 3.500 . 4.900 4.726 3.753 5.271 0.371 7 0 "[ . 1 . 2]" 1
393 1 31 VAL HA 1 31 VAL MG1 2.500 . 3.500 2.361 2.306 2.419 . 0 0 "[ . 1 . 2]" 1
394 1 31 VAL H 1 31 VAL HB 4.100 . 4.500 2.626 2.489 2.728 . 0 0 "[ . 1 . 2]" 1
395 1 31 VAL MG1 1 31 VAL MG2 1.800 . 2.500 2.071 1.954 2.084 . 0 0 "[ . 1 . 2]" 1
396 1 31 VAL H 1 31 VAL MG1 2.900 . 4.100 3.776 3.764 3.788 . 0 0 "[ . 1 . 2]" 1
397 1 31 VAL H 1 31 VAL MG2 3.100 . 3.500 1.906 1.745 2.161 . 0 0 "[ . 1 . 2]" 1
398 1 31 VAL HA 1 32 SER H 4.100 2.500 4.500 3.485 3.441 3.531 . 0 0 "[ . 1 . 2]" 1
399 1 31 VAL MG1 1 32 SER HA 3.500 . 4.900 3.823 3.441 4.164 . 0 0 "[ . 1 . 2]" 1
400 1 31 VAL MG1 1 32 SER H 3.400 . 4.800 3.717 3.392 3.963 . 0 0 "[ . 1 . 2]" 1
401 1 31 VAL MG2 1 32 SER H . . 3.600 3.870 3.779 4.022 0.422 1 0 "[ . 1 . 2]" 1
402 1 31 VAL MG1 1 33 GLN H 3.200 . 4.500 4.787 4.603 4.932 0.432 9 0 "[ . 1 . 2]" 1
403 1 31 VAL HA 1 34 ILE HB 3.800 2.300 5.300 2.830 2.304 4.017 . 0 0 "[ . 1 . 2]" 1
404 1 32 SER HA 1 32 SER QB 2.300 . 3.200 2.367 2.202 2.443 . 0 0 "[ . 1 . 2]" 1
405 1 32 SER H 1 32 SER HA 3.000 . 3.800 2.772 2.753 2.790 . 0 0 "[ . 1 . 2]" 1
406 1 32 SER H 1 32 SER QB 2.800 . 3.400 2.381 2.221 2.731 . 0 0 "[ . 1 . 2]" 1
407 1 32 SER QB 1 33 GLN HA 3.000 . 4.200 4.128 3.862 4.421 0.221 9 0 "[ . 1 . 2]" 1
408 1 32 SER QB 1 33 GLN QG 4.000 . 5.600 3.537 2.837 5.588 . 0 0 "[ . 1 . 2]" 1
409 1 32 SER QB 1 33 GLN H 3.600 . 4.300 2.471 2.257 3.235 . 0 0 "[ . 1 . 2]" 1
410 1 32 SER QB 1 78 LEU HG 4.500 . 6.300 5.798 5.099 6.440 0.140 9 0 "[ . 1 . 2]" 1
411 1 33 GLN HA 1 33 GLN QG 2.800 . 3.500 3.063 2.349 3.416 . 0 0 "[ . 1 . 2]" 1
412 1 33 GLN H 1 33 GLN HA 2.800 . 3.800 2.898 2.837 2.953 . 0 0 "[ . 1 . 2]" 1
413 1 33 GLN H 1 33 GLN QB 3.800 . 3.800 2.486 2.187 2.737 . 0 0 "[ . 1 . 2]" 1
414 1 33 GLN H 1 33 GLN QG 3.400 . 3.600 2.258 1.853 3.922 0.322 3 0 "[ . 1 . 2]" 1
415 1 33 GLN HA 1 34 ILE QG 3.500 . 4.900 4.925 4.491 5.142 0.242 17 0 "[ . 1 . 2]" 1
416 1 33 GLN HA 1 34 ILE H 3.100 . 4.300 3.497 3.365 3.654 . 0 0 "[ . 1 . 2]" 1
417 1 33 GLN H 1 34 ILE HB 4.100 2.500 5.700 5.224 4.985 5.523 . 0 0 "[ . 1 . 2]" 1
418 1 33 GLN QG 1 74 THR MG 4.400 . 6.200 6.486 6.350 6.707 0.507 20 1 "[ . 1 . +]" 1
419 1 33 GLN QB 1 78 LEU MD2 3.200 . 4.500 4.116 3.285 4.824 0.324 18 0 "[ . 1 . 2]" 1
420 1 33 GLN QG 1 78 LEU MD1 3.400 . 4.500 4.552 4.087 4.837 0.337 4 0 "[ . 1 . 2]" 1
421 1 34 ILE HA 1 34 ILE MD 3.300 . 4.600 3.140 2.015 3.900 . 0 0 "[ . 1 . 2]" 1
422 1 34 ILE HA 1 34 ILE QG 3.300 . 4.600 2.683 2.398 3.084 . 0 0 "[ . 1 . 2]" 1
423 1 34 ILE HA 1 34 ILE MG 2.800 . 3.900 2.174 2.102 2.260 . 0 0 "[ . 1 . 2]" 1
424 1 34 ILE HB 1 34 ILE MD 2.800 . 3.900 2.624 2.209 3.191 . 0 0 "[ . 1 . 2]" 1
425 1 34 ILE H 1 34 ILE HB 3.400 . 3.600 2.719 2.580 2.907 . 0 0 "[ . 1 . 2]" 1
426 1 34 ILE MD 1 34 ILE MG 2.500 . 3.500 1.919 1.781 2.074 . 0 0 "[ . 1 . 2]" 1
427 1 34 ILE H 1 34 ILE MD 3.400 . 4.300 3.483 3.010 3.906 . 0 0 "[ . 1 . 2]" 1
428 1 34 ILE QG 1 34 ILE MG 2.800 . 3.900 2.259 2.148 2.419 . 0 0 "[ . 1 . 2]" 1
429 1 34 ILE HA 1 35 ASP H 3.000 . 3.400 3.023 2.846 3.102 . 0 0 "[ . 1 . 2]" 1
430 1 34 ILE MG 1 35 ASP HA 3.700 . 5.200 4.331 4.113 4.613 . 0 0 "[ . 1 . 2]" 1
431 1 34 ILE MG 1 35 ASP H 3.400 . 4.100 4.152 4.066 4.246 0.146 20 0 "[ . 1 . 2]" 1
432 1 34 ILE QG 1 36 THR H 4.200 . 5.700 4.918 4.635 5.567 . 0 0 "[ . 1 . 2]" 1
433 1 34 ILE MG 1 36 THR MG 3.000 . 4.200 3.504 1.960 4.365 0.165 16 0 "[ . 1 . 2]" 1
434 1 34 ILE MG 1 36 THR H 2.900 . 3.600 3.329 2.729 3.942 0.342 1 0 "[ . 1 . 2]" 1
435 1 34 ILE HB 1 37 VAL MG1 3.500 . 4.900 4.915 4.320 5.168 0.268 11 0 "[ . 1 . 2]" 1
436 1 34 ILE MG 1 37 VAL MG1 2.800 . 3.900 3.513 2.839 4.078 0.178 3 0 "[ . 1 . 2]" 1
437 1 35 ASP H 1 35 ASP QB 3.400 . 3.900 2.449 2.278 2.536 . 0 0 "[ . 1 . 2]" 1
438 1 35 ASP QB 1 36 THR HA 3.700 . 5.200 4.286 4.018 4.589 . 0 0 "[ . 1 . 2]" 1
439 1 35 ASP QB 1 36 THR H 4.300 . 5.200 3.332 2.930 3.732 . 0 0 "[ . 1 . 2]" 1
440 1 35 ASP H 1 36 THR MG 4.200 . 5.900 3.410 3.213 3.829 . 0 0 "[ . 1 . 2]" 1
441 1 35 ASP HA 1 37 VAL MG1 3.900 . 5.400 3.352 3.099 3.586 . 0 0 "[ . 1 . 2]" 1
442 1 35 ASP HA 1 37 VAL MG2 3.700 . 5.200 4.887 4.607 5.248 0.048 1 0 "[ . 1 . 2]" 1
443 1 36 THR HA 1 36 THR MG 2.300 . 3.200 2.671 2.286 3.198 . 0 0 "[ . 1 . 2]" 1
444 1 36 THR H 1 36 THR MG 2.800 . 3.500 1.986 1.730 2.342 . 0 0 "[ . 1 . 2]" 1
445 1 36 THR H 1 37 VAL HA 4.000 2.400 5.600 4.773 4.624 4.900 . 0 0 "[ . 1 . 2]" 1
446 1 36 THR MG 1 69 GLY HA2 3.000 . 4.200 3.912 2.959 4.369 0.169 8 0 "[ . 1 . 2]" 1
447 1 37 VAL HA 1 37 VAL MG1 3.200 . 4.500 2.336 2.268 2.439 . 0 0 "[ . 1 . 2]" 1
448 1 37 VAL HA 1 37 VAL MG2 3.100 . 4.300 3.190 3.187 3.192 . 0 0 "[ . 1 . 2]" 1
449 1 37 VAL H 1 37 VAL HB 3.700 . 3.700 3.970 3.960 3.980 0.280 13 0 "[ . 1 . 2]" 1
450 1 37 VAL H 1 37 VAL MG1 2.800 . 3.500 2.425 2.292 2.481 . 0 0 "[ . 1 . 2]" 1
451 1 37 VAL HA 1 38 LYS HA 4.500 2.700 6.300 4.488 4.435 4.509 . 0 0 "[ . 1 . 2]" 1
452 1 37 VAL HA 1 38 LYS QB 4.500 . 6.300 4.995 4.837 5.129 . 0 0 "[ . 1 . 2]" 1
453 1 37 VAL HA 1 38 LYS QG 3.500 . 4.900 4.921 4.586 5.246 0.346 10 0 "[ . 1 . 2]" 1
454 1 37 VAL HA 1 38 LYS H 3.400 2.100 4.100 2.897 2.765 3.063 . 0 0 "[ . 1 . 2]" 1
455 1 38 LYS HA 1 38 LYS QE 3.200 . 4.500 4.421 4.082 4.635 0.135 6 0 "[ . 1 . 2]" 1
456 1 38 LYS HA 1 38 LYS QG 2.300 . 3.200 2.532 2.148 3.313 0.113 8 0 "[ . 1 . 2]" 1
457 1 38 LYS QB 1 38 LYS QD 2.900 . 4.100 2.181 2.115 2.402 . 0 0 "[ . 1 . 2]" 1
458 1 38 LYS QD 1 38 LYS QE 2.200 . 3.100 2.079 2.000 2.108 . 0 0 "[ . 1 . 2]" 1
459 1 38 LYS H 1 38 LYS QE 3.500 . 4.900 4.728 3.985 5.195 0.295 7 0 "[ . 1 . 2]" 1
460 1 38 LYS HA 1 39 SER QB 3.800 . 5.300 4.683 4.439 5.168 . 0 0 "[ . 1 . 2]" 1
461 1 38 LYS HA 1 39 SER H 3.900 2.300 4.600 2.825 2.712 3.560 . 0 0 "[ . 1 . 2]" 1
462 1 38 LYS QD 1 65 GLU QB 3.500 . 4.900 3.243 2.289 4.255 . 0 0 "[ . 1 . 2]" 1
463 1 39 SER HA 1 40 PHE QB 3.500 . 4.900 4.332 3.860 4.412 . 0 0 "[ . 1 . 2]" 1
464 1 39 SER QB 1 40 PHE H 3.400 . 4.800 2.759 2.226 3.315 . 0 0 "[ . 1 . 2]" 1
465 1 39 SER H 1 40 PHE HA 3.700 2.200 5.200 4.596 4.522 5.336 0.136 10 0 "[ . 1 . 2]" 1
466 1 39 SER QB 1 64 PHE HA 3.600 . 5.000 2.496 2.072 4.318 . 0 0 "[ . 1 . 2]" 1
467 1 40 PHE HA 1 41 GLU H 3.400 2.100 3.900 2.319 2.286 2.416 . 0 0 "[ . 1 . 2]" 1
468 1 40 PHE HA 1 62 MET HA 3.800 2.300 5.300 5.431 5.249 5.524 0.224 16 0 "[ . 1 . 2]" 1
469 1 40 PHE HA 1 62 MET QG 4.600 . 6.300 6.356 6.201 6.435 0.135 12 0 "[ . 1 . 2]" 1
470 1 40 PHE QB 1 63 THR MG 3.600 . 5.000 3.615 3.422 3.791 . 0 0 "[ . 1 . 2]" 1
471 1 41 GLU H 1 41 GLU QB 3.700 . 4.600 2.890 2.849 2.917 . 0 0 "[ . 1 . 2]" 1
472 1 41 GLU H 1 41 GLU QG 3.800 . 4.500 3.175 2.898 3.747 . 0 0 "[ . 1 . 2]" 1
473 1 41 GLU HA 1 42 TRP H 3.000 . 3.800 2.205 2.201 2.215 . 0 0 "[ . 1 . 2]" 1
474 1 41 GLU QB 1 61 SER HA 4.600 . 6.400 6.393 6.088 6.569 0.169 8 0 "[ . 1 . 2]" 1
475 1 41 GLU QG 1 61 SER QB 4.100 . 5.700 5.714 5.553 5.880 0.180 10 0 "[ . 1 . 2]" 1
476 1 41 GLU HA 1 62 MET QB 3.400 . 4.800 4.310 3.742 4.720 . 0 0 "[ . 1 . 2]" 1
477 1 41 GLU QB 1 62 MET HA 3.700 . 5.200 3.908 3.751 4.042 . 0 0 "[ . 1 . 2]" 1
478 1 41 GLU QB 1 62 MET QG 2.900 . 4.100 2.977 2.665 3.163 . 0 0 "[ . 1 . 2]" 1
479 1 41 GLU QB 1 62 MET H 4.400 . 5.300 5.682 5.481 5.846 0.546 20 2 "[ - . 1 . +]" 1
480 1 41 GLU QG 1 62 MET HA 4.000 . 5.600 2.450 2.279 2.617 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLU H 1 62 MET HA 4.400 2.700 5.100 4.790 4.465 4.981 . 0 0 "[ . 1 . 2]" 1
482 1 41 GLU QG 1 63 THR HA 4.200 . 5.900 5.894 5.600 6.089 0.189 4 0 "[ . 1 . 2]" 1
483 1 43 GLY HA3 1 44 GLU H 3.900 2.300 4.100 2.861 2.667 3.098 . 0 0 "[ . 1 . 2]" 1
484 1 43 GLY HA2 1 44 GLU H 3.800 2.300 3.900 2.376 2.226 2.535 0.074 11 0 "[ . 1 . 2]" 1
485 1 43 GLY HA3 1 59 ALA H 4.500 2.700 6.300 5.314 4.302 6.084 . 0 0 "[ . 1 . 2]" 1
486 1 43 GLY HA3 1 60 PHE HA 4.000 2.400 5.600 4.203 3.694 4.816 . 0 0 "[ . 1 . 2]" 1
487 1 44 GLU HA 1 58 HIS HA 3.400 . 4.800 5.210 5.052 5.357 0.557 3 2 "[ + . - 1 . 2]" 1
488 1 45 ASP HA 1 46 LYS HA 3.600 2.200 5.000 4.451 4.349 4.556 . 0 0 "[ . 1 . 2]" 1
489 1 45 ASP HA 1 46 LYS H 2.700 . 3.500 2.387 2.322 2.576 . 0 0 "[ . 1 . 2]" 1
490 1 46 LYS HA 1 46 LYS QD 2.600 . 3.600 3.591 2.823 4.293 0.693 20 2 "[ . 1 - . +]" 1
491 1 46 LYS HA 1 46 LYS QE 4.000 . 5.600 4.892 3.838 5.576 . 0 0 "[ . 1 . 2]" 1
492 1 46 LYS HA 1 46 LYS QG 3.000 . 4.200 3.190 2.095 3.399 . 0 0 "[ . 1 . 2]" 1
493 1 46 LYS QB 1 46 LYS QD 2.300 . 3.200 2.252 1.918 2.759 . 0 0 "[ . 1 . 2]" 1
494 1 46 LYS H 1 46 LYS QB 3.800 . 3.900 2.837 2.208 3.303 . 0 0 "[ . 1 . 2]" 1
495 1 46 LYS H 1 46 LYS QD 4.100 . 5.700 2.160 1.600 4.241 . 0 0 "[ . 1 . 2]" 1
496 1 46 LYS QD 1 46 LYS QE 2.100 . 2.900 2.047 1.978 2.106 . 0 0 "[ . 1 . 2]" 1
497 1 46 LYS H 1 46 LYS QE 4.200 . 5.900 3.879 3.128 4.486 . 0 0 "[ . 1 . 2]" 1
498 1 46 LYS H 1 46 LYS QG 3.500 . 4.100 2.493 1.608 3.553 . 0 0 "[ . 1 . 2]" 1
499 1 46 LYS HA 1 47 GLU H 3.400 . 4.800 2.295 2.163 2.481 . 0 0 "[ . 1 . 2]" 1
500 1 46 LYS H 1 47 GLU QB 4.200 . 5.900 5.291 4.122 5.936 0.036 19 0 "[ . 1 . 2]" 1
501 1 46 LYS QD 1 55 GLY HA3 4.300 . 6.000 5.806 4.218 6.467 0.467 6 0 "[ . 1 . 2]" 1
502 1 46 LYS QD 1 55 GLY HA2 4.100 2.700 5.800 4.819 2.651 5.805 0.049 2 0 "[ . 1 . 2]" 1
503 1 46 LYS QE 1 56 PHE HA 3.600 . 5.000 4.264 3.726 4.803 . 0 0 "[ . 1 . 2]" 1
504 1 46 LYS QE 1 56 PHE H . . 3.900 3.721 2.362 4.506 0.606 2 1 "[ + . 1 . 2]" 1
505 1 46 LYS QD 1 57 THR HB 4.100 . 5.700 4.698 3.988 5.898 0.198 13 0 "[ . 1 . 2]" 1
506 1 46 LYS QD 1 57 THR MG 3.200 . 4.500 4.052 3.017 5.083 0.583 13 1 "[ . 1 + . 2]" 1
507 1 46 LYS QE 1 57 THR HB 4.100 . 5.700 5.025 4.256 5.886 0.186 4 0 "[ . 1 . 2]" 1
508 1 46 LYS QE 1 57 THR MG 3.400 . 4.800 4.088 2.856 5.128 0.328 6 0 "[ . 1 . 2]" 1
509 1 46 LYS QG 1 57 THR HA 4.400 . 6.200 4.042 2.190 5.407 . 0 0 "[ . 1 . 2]" 1
510 1 46 LYS QG 1 57 THR HB 4.400 . 6.200 6.085 4.307 7.004 0.804 14 3 "[ . * - +. 2]" 1
511 1 47 GLU HA 1 47 GLU QG 2.900 . 4.100 2.499 2.149 3.312 . 0 0 "[ . 1 . 2]" 1
512 1 47 GLU H 1 47 GLU QB 3.500 . 3.600 2.746 2.457 3.323 . 0 0 "[ . 1 . 2]" 1
513 1 47 GLU H 1 47 GLU QG 3.600 . 4.100 2.972 2.303 4.030 . 0 0 "[ . 1 . 2]" 1
514 1 47 GLU HA 1 48 SER H 4.000 2.400 4.600 2.825 2.309 3.425 0.091 11 0 "[ . 1 . 2]" 1
515 1 47 GLU QB 1 48 SER H 4.000 . 5.000 3.819 3.124 4.054 . 0 0 "[ . 1 . 2]" 1
516 1 48 SER HA 1 49 HIS QB 4.000 . 5.200 4.684 3.877 5.296 0.096 17 0 "[ . 1 . 2]" 1
517 1 48 SER HA 1 49 HIS H 3.000 . 3.900 2.645 2.199 3.468 . 0 0 "[ . 1 . 2]" 1
518 1 48 SER HA 1 52 LEU QB 3.700 . 5.200 5.203 4.217 6.088 0.888 19 3 "[ *- 1 . +2]" 1
519 1 48 SER HA 1 52 LEU MD1 3.900 . 5.500 5.378 4.573 6.040 0.540 19 1 "[ . 1 . +2]" 1
520 1 49 HIS HA 1 50 ASP H 3.100 . 3.500 2.229 2.175 2.383 . 0 0 "[ . 1 . 2]" 1
521 1 49 HIS QB 1 50 ASP HA 4.100 . 5.800 4.731 4.500 5.057 . 0 0 "[ . 1 . 2]" 1
522 1 49 HIS HA 1 51 MET H 3.500 2.100 4.900 4.084 3.781 4.516 . 0 0 "[ . 1 . 2]" 1
523 1 49 HIS HA 1 52 LEU QB 3.600 . 5.100 4.874 4.590 5.130 0.030 2 0 "[ . 1 . 2]" 1
524 1 49 HIS HA 1 52 LEU H 3.200 . 4.200 4.418 4.257 4.749 0.549 19 1 "[ . 1 . +2]" 1
525 1 49 HIS QB 1 52 LEU QB 2.600 . 3.600 2.434 2.106 3.133 . 0 0 "[ . 1 . 2]" 1
526 1 49 HIS QB 1 52 LEU MD1 3.300 . 4.600 2.472 2.148 3.068 . 0 0 "[ . 1 . 2]" 1
527 1 49 HIS H 1 52 LEU MD1 4.000 . 4.900 4.258 3.054 5.137 0.237 14 0 "[ . 1 . 2]" 1
528 1 50 ASP H 1 50 ASP QB 3.400 . 3.900 2.414 2.255 2.529 . 0 0 "[ . 1 . 2]" 1
529 1 51 MET HA 1 51 MET QB 2.600 . 3.600 2.344 2.167 2.421 . 0 0 "[ . 1 . 2]" 1
530 1 51 MET HA 1 51 MET QG 2.900 . 4.000 2.625 2.218 3.297 . 0 0 "[ . 1 . 2]" 1
531 1 51 MET H 1 51 MET QG 4.100 . 5.600 3.004 1.686 4.083 . 0 0 "[ . 1 . 2]" 1
532 1 51 MET HA 1 53 ARG H 3.700 2.200 5.200 4.797 3.944 5.605 0.405 5 0 "[ . 1 . 2]" 1
533 1 51 MET HA 1 54 GLN H 3.900 2.300 4.000 4.280 3.880 5.198 1.198 4 2 "[ +. 1- . 2]" 1
534 1 52 LEU HA 1 52 LEU MD1 3.100 . 4.300 3.829 3.774 3.908 . 0 0 "[ . 1 . 2]" 1
535 1 52 LEU HA 1 52 LEU MD2 2.300 . 3.200 2.128 2.047 2.256 . 0 0 "[ . 1 . 2]" 1
536 1 52 LEU QB 1 52 LEU MD1 2.700 . 3.200 2.099 2.086 2.106 . 0 0 "[ . 1 . 2]" 1
537 1 52 LEU QB 1 52 LEU MD2 . . 3.100 2.246 2.191 2.295 . 0 0 "[ . 1 . 2]" 1
538 1 52 LEU H 1 52 LEU QB . . 3.700 2.572 2.461 2.687 . 0 0 "[ . 1 . 2]" 1
539 1 52 LEU MD1 1 52 LEU MD2 2.100 . 2.900 2.070 2.054 2.080 . 0 0 "[ . 1 . 2]" 1
540 1 52 LEU H 1 52 LEU MD1 3.100 . 4.300 3.695 3.556 3.859 . 0 0 "[ . 1 . 2]" 1
541 1 52 LEU HA 1 53 ARG H 3.700 2.200 4.900 3.517 3.380 3.585 . 0 0 "[ . 1 . 2]" 1
542 1 52 LEU MD2 1 53 ARG H 3.700 . 5.200 4.493 4.359 4.665 . 0 0 "[ . 1 . 2]" 1
543 1 54 GLN HA 1 54 GLN QG 2.600 . 3.700 2.423 2.090 2.981 . 0 0 "[ . 1 . 2]" 1
544 1 54 GLN H 1 54 GLN HA 2.800 . 3.500 2.388 2.340 2.704 . 0 0 "[ . 1 . 2]" 1
545 1 54 GLN HA 1 55 GLY H 3.200 . 4.500 3.232 2.926 3.418 . 0 0 "[ . 1 . 2]" 1
546 1 57 THR HA 1 57 THR MG 2.900 . 4.000 2.628 2.327 3.195 . 0 0 "[ . 1 . 2]" 1
547 1 57 THR HB 1 58 HIS QB 4.200 . 5.900 4.115 3.402 4.849 . 0 0 "[ . 1 . 2]" 1
548 1 57 THR HB 1 58 HIS H 3.600 2.200 5.000 3.272 2.100 3.864 0.100 5 0 "[ . 1 . 2]" 1
549 1 57 THR MG 1 58 HIS H 3.900 . 4.800 3.040 1.755 3.968 . 0 0 "[ . 1 . 2]" 1
550 1 58 HIS HA 1 59 ALA MB 3.700 . 5.200 3.915 3.851 3.991 . 0 0 "[ . 1 . 2]" 1
551 1 58 HIS HA 1 59 ALA H 3.000 . 3.600 2.332 2.243 2.387 . 0 0 "[ . 1 . 2]" 1
552 1 59 ALA H 1 59 ALA MB 3.000 . 3.900 2.645 2.578 2.690 . 0 0 "[ . 1 . 2]" 1
553 1 59 ALA HA 1 60 PHE H 3.000 . 3.600 2.429 2.172 2.506 . 0 0 "[ . 1 . 2]" 1
554 1 60 PHE HA 1 61 SER H 3.300 . 4.600 2.212 2.197 2.229 . 0 0 "[ . 1 . 2]" 1
555 1 61 SER HA 1 62 MET H 3.200 . 4.000 2.242 2.192 2.278 . 0 0 "[ . 1 . 2]" 1
556 1 61 SER QB 1 62 MET H 4.000 . 4.900 3.785 3.361 4.032 . 0 0 "[ . 1 . 2]" 1
557 1 62 MET HA 1 62 MET QG 3.800 . 5.000 2.365 2.293 2.477 . 0 0 "[ . 1 . 2]" 1
558 1 62 MET QG 1 63 THR H 4.200 . 5.600 4.139 3.968 4.336 . 0 0 "[ . 1 . 2]" 1
559 1 63 THR HA 1 63 THR MG 2.800 . 3.900 2.364 2.270 2.488 . 0 0 "[ . 1 . 2]" 1
560 1 63 THR H 1 63 THR MG 3.200 . 4.500 3.858 3.761 3.903 . 0 0 "[ . 1 . 2]" 1
561 1 63 THR HA 1 64 PHE HA 3.600 2.200 5.000 4.485 4.476 4.503 . 0 0 "[ . 1 . 2]" 1
562 1 63 THR HA 1 64 PHE H 3.500 2.100 4.100 2.309 2.259 2.346 . 0 0 "[ . 1 . 2]" 1
563 1 63 THR MG 1 64 PHE HA 2.900 . 4.000 3.809 3.596 4.004 0.004 10 0 "[ . 1 . 2]" 1
564 1 63 THR MG 1 64 PHE H 3.100 . 4.300 2.394 2.237 2.673 . 0 0 "[ . 1 . 2]" 1
565 1 63 THR MG 1 100 VAL HB 3.400 . 4.800 4.015 3.305 4.936 0.136 5 0 "[ . 1 . 2]" 1
566 1 63 THR MG 1 100 VAL QG 2.600 . 3.600 3.122 2.412 3.825 0.225 15 0 "[ . 1 . 2]" 1
567 1 64 PHE HA 1 65 GLU QB 3.500 . 4.900 4.289 4.203 4.560 . 0 0 "[ . 1 . 2]" 1
568 1 65 GLU HA 1 65 GLU QG 2.800 . 3.900 2.506 2.239 3.483 . 0 0 "[ . 1 . 2]" 1
569 1 65 GLU H 1 65 GLU QB 3.200 . 3.800 2.344 2.288 2.470 . 0 0 "[ . 1 . 2]" 1
570 1 65 GLU QB 1 66 ASN H 3.400 . 3.700 2.793 2.655 3.464 . 0 0 "[ . 1 . 2]" 1
571 1 66 ASN QB 1 70 TYR H 4.100 . 5.300 5.452 5.276 5.711 0.411 12 0 "[ . 1 . 2]" 1
572 1 67 LYS HA 1 67 LYS QG 3.600 . 5.000 2.625 2.291 3.301 . 0 0 "[ . 1 . 2]" 1
573 1 67 LYS QB 1 67 LYS QD 2.800 . 3.900 2.256 2.135 2.356 . 0 0 "[ . 1 . 2]" 1
574 1 67 LYS QE 1 67 LYS QG 3.300 . 4.600 2.389 2.137 2.899 . 0 0 "[ . 1 . 2]" 1
575 1 67 LYS HA 1 70 TYR QB 3.600 . 5.100 2.481 2.246 2.734 . 0 0 "[ . 1 . 2]" 1
576 1 67 LYS HA 1 70 TYR H 4.000 2.400 4.800 3.153 3.046 3.254 . 0 0 "[ . 1 . 2]" 1
577 1 67 LYS QB 1 71 VAL HA 4.400 . 6.200 6.018 5.783 6.494 0.294 12 0 "[ . 1 . 2]" 1
578 1 67 LYS QB 1 71 VAL QG 3.500 . 4.900 3.066 2.819 3.446 . 0 0 "[ . 1 . 2]" 1
579 1 67 LYS QD 1 71 VAL QG 3.600 . 5.000 4.382 3.207 4.882 . 0 0 "[ . 1 . 2]" 1
580 1 67 LYS QE 1 71 VAL QG 3.200 . 4.500 3.933 2.951 4.590 0.090 15 0 "[ . 1 . 2]" 1
581 1 67 LYS QG 1 71 VAL QG 3.800 . 5.300 4.058 2.169 4.734 . 0 0 "[ . 1 . 2]" 1
582 1 68 ASP HA 1 71 VAL QG 3.000 . 4.200 2.182 2.104 2.401 . 0 0 "[ . 1 . 2]" 1
583 1 68 ASP HA 1 71 VAL H 3.600 2.100 4.600 3.532 3.423 3.655 . 0 0 "[ . 1 . 2]" 1
584 1 68 ASP QB 1 71 VAL QG 3.400 . 4.800 3.645 3.427 3.822 . 0 0 "[ . 1 . 2]" 1
585 1 69 GLY HA3 1 72 ALA MB 3.100 . 4.300 3.711 3.620 3.787 . 0 0 "[ . 1 . 2]" 1
586 1 69 GLY HA2 1 72 ALA MB 3.700 . 5.200 2.322 2.237 2.408 . 0 0 "[ . 1 . 2]" 1
587 1 69 GLY HA2 1 72 ALA H 3.300 . 3.700 3.416 3.319 3.474 . 0 0 "[ . 1 . 2]" 1
588 1 70 TYR H 1 71 VAL HA 4.400 2.600 5.700 5.405 5.356 5.463 . 0 0 "[ . 1 . 2]" 1
589 1 70 TYR QB 1 74 THR MG 3.600 . 5.000 4.401 3.915 4.682 . 0 0 "[ . 1 . 2]" 1
590 1 71 VAL HA 1 71 VAL QG 2.600 . 3.600 2.283 2.283 2.284 . 0 0 "[ . 1 . 2]" 1
591 1 71 VAL H 1 71 VAL HB 3.500 . 3.800 3.682 3.681 3.683 . 0 0 "[ . 1 . 2]" 1
592 1 71 VAL H 1 71 VAL QG 2.700 . 3.500 1.877 1.877 1.878 . 0 0 "[ . 1 . 2]" 1
593 1 71 VAL HA 1 72 ALA H 4.100 2.500 4.500 3.489 3.488 3.490 . 0 0 "[ . 1 . 2]" 1
594 1 71 VAL QG 1 72 ALA H 3.400 . 4.200 2.235 2.235 2.236 . 0 0 "[ . 1 . 2]" 1
595 1 71 VAL QG 1 72 ALA HA 3.600 . 5.000 3.136 3.135 3.137 . 0 0 "[ . 1 . 2]" 1
596 1 71 VAL HA 1 74 THR HB 4.200 2.500 5.900 4.374 4.229 4.911 . 0 0 "[ . 1 . 2]" 1
597 1 71 VAL HA 1 74 THR MG 3.400 . 4.800 2.072 1.942 3.019 . 0 0 "[ . 1 . 2]" 1
598 1 71 VAL HA 1 74 THR H 4.200 2.500 5.900 3.731 3.487 4.150 . 0 0 "[ . 1 . 2]" 1
599 1 71 VAL QG 1 74 THR MG 2.800 . 3.900 3.312 3.202 3.905 0.005 10 0 "[ . 1 . 2]" 1
600 1 72 ALA HA 1 72 ALA MB 2.300 . 3.200 2.150 2.149 2.150 . 0 0 "[ . 1 . 2]" 1
601 1 72 ALA H 1 72 ALA HA 3.000 . 4.200 2.873 2.872 2.873 . 0 0 "[ . 1 . 2]" 1
602 1 72 ALA H 1 72 ALA MB 2.500 . 3.200 2.223 2.222 2.224 . 0 0 "[ . 1 . 2]" 1
603 1 72 ALA MB 1 73 PHE HA 4.200 . 5.900 3.721 3.694 3.765 . 0 0 "[ . 1 . 2]" 1
604 1 72 ALA MB 1 73 PHE QB 3.800 . 5.300 3.707 3.547 4.254 . 0 0 "[ . 1 . 2]" 1
605 1 72 ALA MB 1 73 PHE H 3.100 . 3.800 2.152 2.135 2.161 . 0 0 "[ . 1 . 2]" 1
606 1 72 ALA HA 1 75 SER H 3.600 2.100 4.600 3.642 3.257 4.126 . 0 0 "[ . 1 . 2]" 1
607 1 72 ALA MB 1 75 SER QB 3.400 . 4.800 4.348 3.903 5.036 0.236 16 0 "[ . 1 . 2]" 1
608 1 73 PHE QB 1 75 SER H 4.100 . 5.000 4.845 4.559 5.066 0.066 2 0 "[ . 1 . 2]" 1
609 1 73 PHE HA 1 76 HIS QB 4.100 . 5.700 3.559 2.692 4.776 . 0 0 "[ . 1 . 2]" 1
610 1 73 PHE HA 1 76 HIS H 4.100 2.500 5.700 3.976 3.383 4.757 . 0 0 "[ . 1 . 2]" 1
611 1 74 THR HA 1 74 THR HB 3.000 . 4.200 2.431 2.247 2.522 . 0 0 "[ . 1 . 2]" 1
612 1 74 THR HA 1 74 THR MG 2.800 . 3.900 3.096 2.485 3.195 . 0 0 "[ . 1 . 2]" 1
613 1 74 THR H 1 74 THR HB 3.700 . 4.500 2.857 2.422 3.648 . 0 0 "[ . 1 . 2]" 1
614 1 74 THR HA 1 75 SER H 4.300 2.600 4.800 3.525 3.493 3.550 . 0 0 "[ . 1 . 2]" 1
615 1 74 THR HB 1 75 SER H 4.100 2.500 5.700 4.054 3.878 4.333 . 0 0 "[ . 1 . 2]" 1
616 1 74 THR MG 1 75 SER HA 3.600 . 5.000 3.676 3.159 5.398 0.398 14 0 "[ . 1 . 2]" 1
617 1 75 SER HA 1 75 SER QB 2.500 . 3.500 2.324 2.192 2.410 . 0 0 "[ . 1 . 2]" 1
618 1 75 SER H 1 75 SER QB 3.400 . 3.500 2.406 2.264 2.574 . 0 0 "[ . 1 . 2]" 1
619 1 75 SER HA 1 76 HIS H 3.600 2.200 4.100 3.454 3.154 3.555 . 0 0 "[ . 1 . 2]" 1
620 1 76 HIS H 1 76 HIS QB 3.900 . 3.900 2.402 2.196 2.939 . 0 0 "[ . 1 . 2]" 1
621 1 76 HIS HA 1 77 PRO QD 2.800 . 3.900 2.029 1.966 2.123 . 0 0 "[ . 1 . 2]" 1
622 1 76 HIS HA 1 77 PRO QG 3.300 . 4.600 3.958 3.888 4.051 . 0 0 "[ . 1 . 2]" 1
623 1 77 PRO HA 1 77 PRO QD 3.700 . 5.200 3.337 3.235 3.479 . 0 0 "[ . 1 . 2]" 1
624 1 77 PRO HA 1 77 PRO QG 2.500 . 3.500 3.109 2.780 3.513 0.013 1 0 "[ . 1 . 2]" 1
625 1 77 PRO QB 1 78 LEU H 4.100 . 5.300 3.446 3.093 3.861 . 0 0 "[ . 1 . 2]" 1
626 1 77 PRO HA 1 79 HIS QB 3.800 . 5.300 4.913 4.743 5.156 . 0 0 "[ . 1 . 2]" 1
627 1 77 PRO HA 1 80 VAL HB 2.900 . 4.100 3.505 2.855 4.230 0.130 16 0 "[ . 1 . 2]" 1
628 1 77 PRO HA 1 80 VAL MG1 2.800 . 3.900 3.256 2.118 4.388 0.488 5 0 "[ . 1 . 2]" 1
629 1 77 PRO HA 1 80 VAL H 3.800 2.300 5.300 3.461 3.233 3.663 . 0 0 "[ . 1 . 2]" 1
630 1 77 PRO QB 1 80 VAL MG1 3.700 . 5.200 3.876 2.701 4.908 . 0 0 "[ . 1 . 2]" 1
631 1 77 PRO HA 1 81 GLU H 3.900 2.300 5.500 4.239 4.020 4.647 . 0 0 "[ . 1 . 2]" 1
632 1 78 LEU HA 1 78 LEU MD1 2.300 . 3.200 2.525 2.093 3.377 0.177 3 0 "[ . 1 . 2]" 1
633 1 78 LEU HA 1 78 LEU MD2 3.100 . 4.400 3.695 3.205 3.850 . 0 0 "[ . 1 . 2]" 1
634 1 78 LEU HA 1 78 LEU HG 3.100 . 4.300 2.495 2.125 2.960 . 0 0 "[ . 1 . 2]" 1
635 1 78 LEU H 1 78 LEU QB . . 3.500 2.242 2.177 2.271 . 0 0 "[ . 1 . 2]" 1
636 1 78 LEU QB 1 78 LEU MD1 2.500 . 3.500 2.132 2.063 2.183 . 0 0 "[ . 1 . 2]" 1
637 1 78 LEU MD1 1 78 LEU HG 2.300 . 3.200 2.146 2.134 2.153 . 0 0 "[ . 1 . 2]" 1
638 1 78 LEU H 1 78 LEU MD1 3.200 . 3.900 3.996 3.729 4.243 0.343 11 0 "[ . 1 . 2]" 1
639 1 78 LEU H 1 78 LEU MD2 3.500 . 4.900 4.295 4.148 4.354 . 0 0 "[ . 1 . 2]" 1
640 1 78 LEU HA 1 79 HIS H 3.700 2.200 5.200 3.524 3.504 3.550 . 0 0 "[ . 1 . 2]" 1
641 1 78 LEU MD1 1 79 HIS H 3.400 . 4.800 4.887 4.584 5.056 0.256 20 0 "[ . 1 . 2]" 1
642 1 78 LEU HG 1 79 HIS H 3.900 2.300 4.900 4.350 3.989 4.790 . 0 0 "[ . 1 . 2]" 1
643 1 78 LEU HA 1 81 GLU QB 3.100 . 4.300 3.550 3.141 4.377 0.077 1 0 "[ . 1 . 2]" 1
644 1 78 LEU HA 1 81 GLU QG 4.100 . 5.700 4.912 2.619 5.745 0.045 13 0 "[ . 1 . 2]" 1
645 1 78 LEU HA 1 81 GLU H 3.900 2.300 4.300 4.253 4.050 4.407 0.107 18 0 "[ . 1 . 2]" 1
646 1 79 HIS HA 1 82 PHE QB 3.800 . 4.900 2.502 2.300 2.687 . 0 0 "[ . 1 . 2]" 1
647 1 79 HIS HA 1 82 PHE H 3.400 2.100 4.200 3.628 3.469 3.806 . 0 0 "[ . 1 . 2]" 1
648 1 79 HIS QB 1 82 PHE H 4.400 . 6.200 5.079 4.959 5.214 . 0 0 "[ . 1 . 2]" 1
649 1 80 VAL HA 1 80 VAL MG1 2.400 . 3.400 2.792 2.371 3.190 . 0 0 "[ . 1 . 2]" 1
650 1 80 VAL HA 1 80 VAL MG2 2.600 . 3.600 2.315 2.248 2.390 . 0 0 "[ . 1 . 2]" 1
651 1 80 VAL HB 1 80 VAL MG1 2.400 . 3.300 2.139 2.133 2.144 . 0 0 "[ . 1 . 2]" 1
652 1 80 VAL HB 1 80 VAL MG2 2.100 . 2.900 2.149 2.146 2.153 . 0 0 "[ . 1 . 2]" 1
653 1 80 VAL H 1 80 VAL MG1 2.600 . 3.700 2.793 1.738 3.747 0.047 5 0 "[ . 1 . 2]" 1
654 1 80 VAL HA 1 81 GLU HA 4.200 2.500 5.900 4.816 4.776 4.868 . 0 0 "[ . 1 . 2]" 1
655 1 80 VAL HA 1 81 GLU H 3.800 2.300 4.800 3.586 3.585 3.587 . 0 0 "[ . 1 . 2]" 1
656 1 80 VAL HB 1 81 GLU H 3.500 2.100 4.900 2.963 2.177 3.743 . 0 0 "[ . 1 . 2]" 1
657 1 80 VAL MG1 1 81 GLU HA 3.000 . 4.200 3.241 3.078 3.498 . 0 0 "[ . 1 . 2]" 1
658 1 80 VAL MG1 1 81 GLU QB 3.400 . 4.800 3.464 2.711 4.338 . 0 0 "[ . 1 . 2]" 1
659 1 80 VAL HA 1 82 PHE H 4.300 2.600 6.000 4.395 3.984 4.563 . 0 0 "[ . 1 . 2]" 1
660 1 80 VAL HA 1 83 SER QB 3.500 . 4.900 2.820 2.301 3.552 . 0 0 "[ . 1 . 2]" 1
661 1 80 VAL HA 1 83 SER H 4.400 2.600 5.200 3.406 3.159 3.627 . 0 0 "[ . 1 . 2]" 1
662 1 80 VAL MG1 1 83 SER QB 4.600 . 6.400 4.511 3.624 5.575 . 0 0 "[ . 1 . 2]" 1
663 1 81 GLU HA 1 82 PHE H 3.500 2.100 4.900 3.549 3.515 3.562 . 0 0 "[ . 1 . 2]" 1
664 1 81 GLU QB 1 82 PHE HA 3.900 . 5.500 4.048 3.899 4.401 . 0 0 "[ . 1 . 2]" 1
665 1 81 GLU HA 1 84 ALA H 3.300 . 3.700 3.668 3.338 3.808 0.108 13 0 "[ . 1 . 2]" 1
666 1 81 GLU HA 1 85 ALA H 3.500 2.100 4.900 4.616 4.281 4.983 0.083 7 0 "[ . 1 . 2]" 1
667 1 82 PHE H 1 82 PHE HA 3.000 . 4.100 2.883 2.837 2.904 . 0 0 "[ . 1 . 2]" 1
668 1 82 PHE HA 1 83 SER H 3.800 2.300 4.900 3.551 3.514 3.573 . 0 0 "[ . 1 . 2]" 1
669 1 82 PHE QB 1 83 SER HA 4.400 . 6.200 4.059 3.864 4.200 . 0 0 "[ . 1 . 2]" 1
670 1 82 PHE QB 1 83 SER H 4.100 . 4.600 2.628 2.477 2.803 . 0 0 "[ . 1 . 2]" 1
671 1 82 PHE HA 1 85 ALA MB 3.100 . 4.300 2.925 2.521 3.354 . 0 0 "[ . 1 . 2]" 1
672 1 82 PHE HA 1 85 ALA H 2.900 . 4.100 3.554 3.348 3.765 . 0 0 "[ . 1 . 2]" 1
673 1 82 PHE QB 1 85 ALA H 3.600 . 5.100 5.108 4.815 5.359 0.259 11 0 "[ . 1 . 2]" 1
674 1 83 SER H 1 83 SER QB 3.200 . 3.600 2.361 2.245 2.552 . 0 0 "[ . 1 . 2]" 1
675 1 83 SER HA 1 84 ALA HA 3.900 2.300 5.500 4.823 4.786 4.849 . 0 0 "[ . 1 . 2]" 1
676 1 83 SER HA 1 84 ALA H 3.800 2.300 4.900 3.566 3.528 3.582 . 0 0 "[ . 1 . 2]" 1
677 1 83 SER QB 1 84 ALA HA 3.900 . 5.500 4.165 3.886 4.460 . 0 0 "[ . 1 . 2]" 1
678 1 83 SER QB 1 84 ALA MB 4.300 . 6.000 4.163 3.821 4.722 . 0 0 "[ . 1 . 2]" 1
679 1 83 SER QB 1 84 ALA H 3.800 . 4.200 2.846 2.484 3.544 . 0 0 "[ . 1 . 2]" 1
680 1 83 SER HA 1 85 ALA H 3.600 2.200 5.000 4.497 4.079 4.725 . 0 0 "[ . 1 . 2]" 1
681 1 83 SER HA 1 86 PHE QB 4.000 . 4.900 2.177 2.090 2.302 . 0 0 "[ . 1 . 2]" 1
682 1 83 SER HA 1 86 PHE H 3.600 2.400 5.000 3.305 3.075 3.556 . 0 0 "[ . 1 . 2]" 1
683 1 83 SER QB 1 86 PHE QB 4.200 . 5.900 3.883 3.489 4.219 . 0 0 "[ . 1 . 2]" 1
684 1 84 ALA HA 1 84 ALA MB 2.200 . 3.100 2.150 2.147 2.152 . 0 0 "[ . 1 . 2]" 1
685 1 84 ALA H 1 84 ALA HA 2.900 . 4.000 2.854 2.832 2.872 . 0 0 "[ . 1 . 2]" 1
686 1 84 ALA H 1 84 ALA MB 2.400 . 3.200 2.262 2.249 2.271 . 0 0 "[ . 1 . 2]" 1
687 1 84 ALA HA 1 85 ALA H 3.300 . 4.600 3.555 3.509 3.573 . 0 0 "[ . 1 . 2]" 1
688 1 84 ALA MB 1 85 ALA H 2.800 . 3.800 2.380 2.164 2.662 . 0 0 "[ . 1 . 2]" 1
689 1 84 ALA HA 1 87 THR H 4.000 2.400 4.100 3.860 3.680 4.180 0.080 7 0 "[ . 1 . 2]" 1
690 1 85 ALA HA 1 85 ALA MB 2.200 . 3.100 2.148 2.142 2.150 . 0 0 "[ . 1 . 2]" 1
691 1 85 ALA H 1 85 ALA HA 2.800 . 3.800 2.892 2.870 2.936 . 0 0 "[ . 1 . 2]" 1
692 1 85 ALA H 1 85 ALA MB 2.700 . 3.400 2.246 2.204 2.281 . 0 0 "[ . 1 . 2]" 1
693 1 85 ALA HA 1 86 PHE H 3.500 2.100 4.900 3.568 3.560 3.577 . 0 0 "[ . 1 . 2]" 1
694 1 85 ALA MB 1 86 PHE HA 3.600 . 5.000 3.802 3.747 3.828 . 0 0 "[ . 1 . 2]" 1
695 1 85 ALA MB 1 86 PHE H 3.200 . 4.500 2.492 2.402 2.577 . 0 0 "[ . 1 . 2]" 1
696 1 85 ALA HA 1 88 ALA MB 2.800 . 3.900 2.239 2.173 2.312 . 0 0 "[ . 1 . 2]" 1
697 1 86 PHE QB 1 87 THR H 3.700 . 4.800 2.876 2.764 3.150 . 0 0 "[ . 1 . 2]" 1
698 1 86 PHE HA 1 90 ILE QG 3.700 . 5.200 3.866 3.092 5.018 . 0 0 "[ . 1 . 2]" 1
699 1 87 THR HA 1 87 THR HB 2.900 . 4.100 2.926 2.312 3.033 . 0 0 "[ . 1 . 2]" 1
700 1 87 THR HA 1 87 THR MG 2.400 . 3.400 2.381 2.247 3.194 . 0 0 "[ . 1 . 2]" 1
701 1 87 THR H 1 87 THR HA 2.900 . 4.100 2.943 2.932 2.950 . 0 0 "[ . 1 . 2]" 1
702 1 87 THR H 1 87 THR HB 3.300 . 4.500 2.768 2.616 3.625 . 0 0 "[ . 1 . 2]" 1
703 1 87 THR HA 1 88 ALA MB 3.300 . 4.600 5.014 5.000 5.033 0.433 5 0 "[ . 1 . 2]" 1
704 1 87 THR HA 1 88 ALA H 3.200 . 4.500 3.569 3.568 3.570 . 0 0 "[ . 1 . 2]" 1
705 1 87 THR HB 1 88 ALA MB 3.800 . 5.300 3.949 3.657 5.216 . 0 0 "[ . 1 . 2]" 1
706 1 87 THR HB 1 88 ALA H 3.300 . 4.600 2.245 1.972 3.651 0.028 16 0 "[ . 1 . 2]" 1
707 1 87 THR MG 1 88 ALA HA 3.300 . 4.600 3.854 3.256 5.135 0.535 1 2 "[+ . - . 2]" 1
708 1 87 THR MG 1 88 ALA MB 3.200 . 4.500 4.257 2.710 4.440 . 0 0 "[ . 1 . 2]" 1
709 1 87 THR H 1 88 ALA HA 4.100 2.500 5.700 5.202 5.171 5.249 . 0 0 "[ . 1 . 2]" 1
710 1 87 THR H 1 88 ALA MB 3.900 . 4.900 4.066 4.022 4.106 . 0 0 "[ . 1 . 2]" 1
711 1 88 ALA HA 1 88 ALA MB 2.100 . 3.000 2.144 2.131 2.150 . 0 0 "[ . 1 . 2]" 1
712 1 88 ALA H 1 88 ALA HA 2.600 . 3.700 2.748 2.724 2.789 . 0 0 "[ . 1 . 2]" 1
713 1 88 ALA H 1 88 ALA MB 2.300 . 3.200 2.220 2.133 2.271 . 0 0 "[ . 1 . 2]" 1
714 1 88 ALA HA 1 89 VAL MG1 3.700 . 5.200 4.488 4.220 5.251 0.051 1 0 "[ . 1 . 2]" 1
715 1 88 ALA HA 1 89 VAL H 3.200 . 4.500 3.486 3.389 3.533 . 0 0 "[ . 1 . 2]" 1
716 1 88 ALA MB 1 89 VAL HA 4.100 . 5.700 3.956 3.887 4.045 . 0 0 "[ . 1 . 2]" 1
717 1 88 ALA MB 1 89 VAL MG1 2.800 . 3.900 2.657 2.366 4.090 0.190 1 0 "[ . 1 . 2]" 1
718 1 88 ALA MB 1 89 VAL MG2 3.300 . 4.600 3.939 3.711 4.626 0.026 20 0 "[ . 1 . 2]" 1
719 1 88 ALA MB 1 89 VAL H 2.900 . 4.100 2.810 2.660 3.102 . 0 0 "[ . 1 . 2]" 1
720 1 88 ALA H 1 89 VAL HA 3.900 2.300 5.500 5.513 5.455 5.548 0.048 3 0 "[ . 1 . 2]" 1
721 1 89 VAL HA 1 89 VAL MG1 2.600 . 3.600 2.494 2.372 3.176 . 0 0 "[ . 1 . 2]" 1
722 1 89 VAL HA 1 89 VAL MG2 3.200 . 4.500 3.094 2.192 3.198 . 0 0 "[ . 1 . 2]" 1
723 1 89 VAL H 1 89 VAL HB 4.200 . 5.000 3.625 2.635 3.820 . 0 0 "[ . 1 . 2]" 1
724 1 89 VAL H 1 89 VAL MG1 2.900 . 4.100 2.323 2.103 2.565 . 0 0 "[ . 1 . 2]" 1
725 1 89 VAL H 1 89 VAL MG2 2.700 . 3.600 2.174 1.864 3.838 0.238 1 0 "[ . 1 . 2]" 1
726 1 89 VAL MG2 1 90 ILE QG 3.500 . 4.900 2.646 2.048 3.942 . 0 0 "[ . 1 . 2]" 1
727 1 89 VAL MG2 1 90 ILE H 2.900 . 4.100 3.106 2.462 4.272 0.172 1 0 "[ . 1 . 2]" 1
728 1 90 ILE HA 1 90 ILE MG 3.300 . 4.600 2.480 2.373 2.771 . 0 0 "[ . 1 . 2]" 1
729 1 90 ILE HB 1 90 ILE MD 3.200 . 4.500 2.548 2.187 3.189 . 0 0 "[ . 1 . 2]" 1
730 1 90 ILE H 1 90 ILE HB 3.400 . 3.900 2.594 2.451 2.686 . 0 0 "[ . 1 . 2]" 1
731 1 90 ILE H 1 90 ILE MD 3.600 . 5.000 3.775 2.876 4.124 . 0 0 "[ . 1 . 2]" 1
732 1 90 ILE QG 1 90 ILE MG 3.100 . 4.300 2.239 2.097 2.314 . 0 0 "[ . 1 . 2]" 1
733 1 90 ILE H 1 90 ILE QG 3.600 . 3.900 3.294 3.035 4.096 0.196 4 0 "[ . 1 . 2]" 1
734 1 90 ILE HA 1 91 ASP HA 3.500 2.100 4.900 4.450 4.428 4.493 . 0 0 "[ . 1 . 2]" 1
735 1 90 ILE HA 1 91 ASP H 3.600 2.200 4.300 2.343 2.293 2.388 . 0 0 "[ . 1 . 2]" 1
736 1 90 ILE HB 1 91 ASP H 4.200 2.500 5.900 3.829 3.667 4.094 . 0 0 "[ . 1 . 2]" 1
737 1 90 ILE MG 1 93 ILE HB 3.400 . 4.700 2.985 2.658 3.222 . 0 0 "[ . 1 . 2]" 1
738 1 90 ILE MG 1 93 ILE MD 2.600 . 3.600 2.567 2.230 2.795 . 0 0 "[ . 1 . 2]" 1
739 1 91 ASP QB 1 92 LYS H 3.900 . 4.200 2.618 2.531 2.842 . 0 0 "[ . 1 . 2]" 1
740 1 92 LYS QB 1 92 LYS QE 2.400 . 3.300 3.298 2.122 3.653 0.353 19 0 "[ . 1 . 2]" 1
741 1 92 LYS QB 1 93 ILE H 3.400 . 3.900 3.190 2.909 3.833 . 0 0 "[ . 1 . 2]" 1
742 1 93 ILE HA 1 93 ILE MD 3.200 . 4.500 2.238 2.195 2.306 . 0 0 "[ . 1 . 2]" 1
743 1 93 ILE HA 1 93 ILE QG 3.800 . 4.300 2.523 2.409 2.593 . 0 0 "[ . 1 . 2]" 1
744 1 93 ILE HB 1 93 ILE MD 2.500 . 3.500 2.185 2.130 2.235 . 0 0 "[ . 1 . 2]" 1
745 1 93 ILE H 1 93 ILE HB 4.100 . 5.700 3.027 2.924 3.104 . 0 0 "[ . 1 . 2]" 1
746 1 93 ILE H 1 93 ILE MD 2.800 . 3.900 4.329 4.176 4.441 0.541 9 4 "[*- . +1 *. 2]" 1
747 1 93 ILE HA 1 94 VAL MG1 3.900 . 5.500 5.311 3.664 5.492 . 0 0 "[ . 1 . 2]" 1
748 1 93 ILE HA 1 94 VAL H 3.600 2.200 4.200 2.159 2.154 2.174 0.046 7 0 "[ . 1 . 2]" 1
749 1 93 ILE HB 1 94 VAL H 4.300 2.600 4.800 4.386 4.295 4.455 . 0 0 "[ . 1 . 2]" 1
750 1 93 ILE MD 1 94 VAL H 3.300 . 3.900 3.314 3.071 3.576 . 0 0 "[ . 1 . 2]" 1
751 1 93 ILE QG 1 94 VAL H 4.300 . 4.600 2.675 2.447 2.918 . 0 0 "[ . 1 . 2]" 1
752 1 93 ILE QG 1 94 VAL HA 3.700 . 5.200 3.977 3.795 4.225 . 0 0 "[ . 1 . 2]" 1
753 1 94 VAL HA 1 94 VAL MG1 2.800 . 3.900 2.360 2.246 3.205 . 0 0 "[ . 1 . 2]" 1
754 1 94 VAL HA 1 94 VAL MG2 3.100 . 4.300 2.471 2.268 3.185 . 0 0 "[ . 1 . 2]" 1
755 1 94 VAL HB 1 94 VAL MG1 2.400 . 3.400 2.138 2.134 2.144 . 0 0 "[ . 1 . 2]" 1
756 1 94 VAL H 1 94 VAL HB 4.000 . 4.500 2.819 2.636 3.749 . 0 0 "[ . 1 . 2]" 1
757 1 94 VAL H 1 94 VAL MG2 3.800 . 5.300 2.678 2.100 3.970 . 0 0 "[ . 1 . 2]" 1
758 1 94 VAL HA 1 95 LEU QB 3.900 . 5.400 4.744 4.706 4.805 . 0 0 "[ . 1 . 2]" 1
759 1 94 VAL HA 1 95 LEU HG 3.000 . 4.200 3.835 3.611 4.071 . 0 0 "[ . 1 . 2]" 1
760 1 94 VAL HA 1 95 LEU H 2.900 . 3.700 2.312 2.291 2.385 . 0 0 "[ . 1 . 2]" 1
761 1 94 VAL MG1 1 95 LEU HG 3.500 . 4.900 4.657 4.347 5.200 0.300 9 0 "[ . 1 . 2]" 1
762 1 94 VAL MG2 1 95 LEU H 3.000 . 3.900 4.130 2.324 4.298 0.398 16 0 "[ . 1 . 2]" 1
763 1 95 LEU HA 1 95 LEU MD1 3.600 . 5.000 3.487 3.389 3.575 . 0 0 "[ . 1 . 2]" 1
764 1 95 LEU HA 1 95 LEU MD2 3.300 . 4.600 3.642 3.586 3.750 . 0 0 "[ . 1 . 2]" 1
765 1 95 LEU QB 1 95 LEU MD1 2.700 . 3.800 2.150 2.107 2.174 . 0 0 "[ . 1 . 2]" 1
766 1 95 LEU H 1 95 LEU QB 3.200 . 3.900 2.978 2.941 3.010 . 0 0 "[ . 1 . 2]" 1
767 1 95 LEU MD1 1 95 LEU HG 2.300 . 3.200 2.128 2.110 2.142 . 0 0 "[ . 1 . 2]" 1
768 1 95 LEU H 1 95 LEU MD1 3.400 . 4.700 1.935 1.851 2.009 . 0 0 "[ . 1 . 2]" 1
769 1 95 LEU H 1 95 LEU MD2 3.800 . 4.600 4.234 4.142 4.295 . 0 0 "[ . 1 . 2]" 1
770 1 95 LEU HA 1 96 LEU MD2 3.600 . 5.000 5.082 4.947 5.185 0.185 15 0 "[ . 1 . 2]" 1
771 1 95 LEU HA 1 96 LEU H 2.900 . 3.600 2.180 2.158 2.211 . 0 0 "[ . 1 . 2]" 1
772 1 95 LEU QB 1 96 LEU HA 4.200 . 5.900 4.161 4.097 4.213 . 0 0 "[ . 1 . 2]" 1
773 1 95 LEU MD1 1 96 LEU HA 3.700 . 5.200 5.362 5.261 5.458 0.258 7 0 "[ . 1 . 2]" 1
774 1 95 LEU H 1 96 LEU MD1 3.600 . 5.000 4.061 3.483 4.612 . 0 0 "[ . 1 . 2]" 1
775 1 96 LEU HA 1 96 LEU MD1 2.700 . 3.800 3.436 3.153 3.633 . 0 0 "[ . 1 . 2]" 1
776 1 96 LEU HA 1 96 LEU MD2 3.400 . 4.800 3.690 3.533 3.835 . 0 0 "[ . 1 . 2]" 1
777 1 96 LEU MD1 1 96 LEU MD2 2.200 . 3.100 2.023 1.870 2.079 . 0 0 "[ . 1 . 2]" 1
778 1 96 LEU MD1 1 96 LEU HG 2.400 . 3.400 2.131 2.113 2.154 . 0 0 "[ . 1 . 2]" 1
779 1 96 LEU MD2 1 97 ASP H 3.700 . 5.200 5.121 4.984 5.230 0.030 11 0 "[ . 1 . 2]" 1
780 1 97 ASP HA 1 98 PHE H 3.000 . 3.400 2.221 2.203 2.250 . 0 0 "[ . 1 . 2]" 1
781 1 98 PHE HA 1 99 PRO QD 2.900 . 4.000 2.025 1.970 2.160 . 0 0 "[ . 1 . 2]" 1
782 1 98 PHE HA 1 99 PRO QG 4.000 . 5.000 3.950 3.867 4.107 . 0 0 "[ . 1 . 2]" 1
783 1 98 PHE QB 1 99 PRO QG 4.300 . 6.000 4.771 3.413 5.270 . 0 0 "[ . 1 . 2]" 1
784 1 99 PRO QB 1 100 VAL H 3.900 . 4.600 3.397 3.121 3.666 . 0 0 "[ . 1 . 2]" 1
785 1 100 VAL HA 1 100 VAL QG 2.700 . 3.800 2.109 2.023 2.373 . 0 0 "[ . 1 . 2]" 1
786 1 100 VAL H 1 100 VAL HB 3.400 . 4.200 2.655 2.380 3.680 . 0 0 "[ . 1 . 2]" 1
787 1 101 ALA HA 1 102 ALA MB 3.000 . 4.200 4.184 4.060 4.342 0.142 17 0 "[ . 1 . 2]" 1
788 1 101 ALA HA 1 102 ALA H 2.700 . 3.200 2.350 2.205 2.534 . 0 0 "[ . 1 . 2]" 1
789 1 101 ALA MB 1 102 ALA H 3.800 . 3.800 3.605 3.194 3.726 . 0 0 "[ . 1 . 2]" 1
790 1 102 ALA H 1 102 ALA MB 2.700 . 3.500 2.313 2.184 2.851 . 0 0 "[ . 1 . 2]" 1
791 1 102 ALA MB 1 103 VAL H 3.000 . 4.200 3.506 2.569 3.713 . 0 0 "[ . 1 . 2]" 1
792 1 103 VAL HA 1 103 VAL MG1 2.500 . 3.500 2.304 2.155 2.426 . 0 0 "[ . 1 . 2]" 1
793 1 103 VAL HA 1 103 VAL MG2 2.600 . 3.600 3.185 3.147 3.196 . 0 0 "[ . 1 . 2]" 1
794 1 103 VAL HB 1 103 VAL MG2 2.400 . 3.300 2.140 2.123 2.151 . 0 0 "[ . 1 . 2]" 1
795 1 103 VAL MG2 1 104 LYS QE 3.500 . 4.900 4.717 3.948 5.118 0.218 11 0 "[ . 1 . 2]" 1
796 1 104 LYS HA 1 104 LYS QE 3.000 . 4.200 4.055 2.333 4.333 0.133 16 0 "[ . 1 . 2]" 1
797 1 104 LYS H 1 104 LYS QD 4.300 . 6.000 3.255 2.051 4.646 . 0 0 "[ . 1 . 2]" 1
798 1 105 SER HA 1 105 SER QB 2.300 . 3.200 2.294 2.178 2.484 . 0 0 "[ . 1 . 2]" 1
799 1 105 SER QB 1 107 VAL HB 3.700 . 5.200 4.961 3.177 5.926 0.726 14 1 "[ . 1 +. 2]" 1
800 1 107 VAL HA 1 107 VAL MG1 2.500 . 3.500 2.806 2.253 3.195 . 0 0 "[ . 1 . 2]" 1
801 1 43 GLY HA2 1 59 ALA MB 4.700 2.800 6.600 4.858 4.129 5.484 . 0 0 "[ . 1 . 2]" 1
802 1 46 LYS QG 1 55 GLY HA3 4.500 2.700 6.300 5.878 4.246 7.250 0.950 19 4 "[ . -1 *. * +2]" 1
803 1 56 PHE QB 1 92 LYS QE 4.200 2.500 5.900 4.106 2.773 5.558 . 0 0 "[ . 1 . 2]" 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 521
_Distance_constraint_stats_list.Viol_count 1125
_Distance_constraint_stats_list.Viol_total 4733.723
_Distance_constraint_stats_list.Viol_max 1.245
_Distance_constraint_stats_list.Viol_rms 0.0822
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0227
_Distance_constraint_stats_list.Viol_average_violations_only 0.2104
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.700 0.289 12 0 "[ . 1 . 2]"
1 3 THR 1.140 0.180 13 0 "[ . 1 . 2]"
1 4 SER 7.330 0.381 4 0 "[ . 1 . 2]"
1 5 GLY 9.848 0.486 7 0 "[ . 1 . 2]"
1 6 PHE 12.318 0.601 13 3 "[ . 1- + . * 2]"
1 7 LYS 9.331 0.660 15 6 "[ ** 1 *-+ *2]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 11.445 0.651 3 6 "[ + . * 1 .* *-*]"
1 10 VAL 1.620 0.441 15 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 3.481 0.331 19 0 "[ . 1 . 2]"
1 13 LYS 0.350 0.344 5 0 "[ . 1 . 2]"
1 14 PHE 9.429 0.740 13 2 "[ .- 1 + . 2]"
1 15 LYS 10.465 1.184 12 1 "[ . 1 + . 2]"
1 16 GLU 1.057 0.446 12 0 "[ . 1 . 2]"
1 17 ASP 1.272 0.437 12 0 "[ . 1 . 2]"
1 18 THR 20.913 0.747 12 1 "[ . 1 + . 2]"
1 19 LYS 7.838 0.402 9 0 "[ . 1 . 2]"
1 20 VAL 6.811 0.407 17 0 "[ . 1 . 2]"
1 21 ASP 18.822 0.641 3 1 "[ + . 1 . 2]"
1 22 GLU 12.568 0.435 12 0 "[ . 1 . 2]"
1 23 ILE 15.285 0.641 3 1 "[ + . 1 . 2]"
1 24 LEU 11.396 0.448 11 0 "[ . 1 . 2]"
1 25 LYS 4.519 0.249 4 0 "[ . 1 . 2]"
1 26 GLY 5.374 0.389 15 0 "[ . 1 . 2]"
1 27 LEU 3.405 0.486 3 0 "[ . 1 . 2]"
1 28 GLU 1.119 0.201 2 0 "[ . 1 . 2]"
1 29 ASN 2.307 0.486 3 0 "[ . 1 . 2]"
1 30 LEU 1.403 0.206 2 0 "[ . 1 . 2]"
1 31 VAL 0.448 0.162 12 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 1.403 0.206 2 0 "[ . 1 . 2]"
1 34 ILE 11.168 0.454 20 0 "[ . 1 . 2]"
1 35 ASP 3.440 0.384 3 0 "[ . 1 . 2]"
1 36 THR 3.965 0.442 7 0 "[ . 1 . 2]"
1 37 VAL 0.363 0.363 10 0 "[ . 1 . 2]"
1 38 LYS 7.291 0.570 7 3 "[ . + 1 * . - 2]"
1 39 SER 4.464 0.363 10 0 "[ . 1 . 2]"
1 40 PHE 5.417 0.369 17 0 "[ . 1 . 2]"
1 41 GLU 11.585 0.414 10 0 "[ . 1 . 2]"
1 42 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 1.364 0.290 15 0 "[ . 1 . 2]"
1 44 GLU 16.784 1.245 7 4 "[ . + 1 . * -*]"
1 45 ASP 0.040 0.039 17 0 "[ . 1 . 2]"
1 46 LYS 6.706 0.948 20 2 "[ . 1 - . +]"
1 47 GLU 3.920 0.948 20 2 "[ . 1 - . +]"
1 48 SER 0.032 0.032 6 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 1.110 0.345 5 0 "[ . 1 . 2]"
1 53 ARG 1.930 0.483 11 0 "[ . 1 . 2]"
1 54 GLN 1.458 0.483 11 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 3.940 0.461 20 0 "[ . 1 . 2]"
1 57 THR 0.598 0.344 5 0 "[ . 1 . 2]"
1 58 HIS 17.037 1.245 7 4 "[ . + 1 . * -*]"
1 59 ALA 5.226 0.546 20 2 "[ . - 1 . +]"
1 60 PHE 2.771 0.538 18 1 "[ . 1 . + 2]"
1 61 SER 2.809 0.233 2 0 "[ . 1 . 2]"
1 62 MET 0.121 0.035 10 0 "[ . 1 . 2]"
1 63 THR 8.947 0.414 10 0 "[ . 1 . 2]"
1 64 PHE 4.101 0.329 12 0 "[ . 1 . 2]"
1 65 GLU 5.194 0.570 7 3 "[ . + 1 * . - 2]"
1 66 ASN 9.228 0.601 13 3 "[ . 1- + . * 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLY 0.326 0.102 17 0 "[ . 1 . 2]"
1 70 TYR 9.649 0.521 17 2 "[ . 1- . + 2]"
1 71 VAL 1.493 0.076 2 0 "[ . 1 . 2]"
1 72 ALA 1.820 0.102 17 0 "[ . 1 . 2]"
1 73 PHE 9.298 0.521 17 2 "[ . 1- . + 2]"
1 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 HIS 0.087 0.087 20 0 "[ . 1 . 2]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 3.511 0.454 20 0 "[ . 1 . 2]"
1 79 HIS 0.087 0.087 20 0 "[ . 1 . 2]"
1 80 VAL 0.014 0.010 14 0 "[ . 1 . 2]"
1 81 GLU 0.119 0.043 14 0 "[ . 1 . 2]"
1 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 0.105 0.043 14 0 "[ . 1 . 2]"
1 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 4.265 0.463 7 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 3.250 0.365 11 0 "[ . 1 . 2]"
1 90 ILE 7.514 0.463 7 0 "[ . 1 . 2]"
1 91 ASP 2.950 1.184 12 1 "[ . 1 + . 2]"
1 92 LYS 2.554 0.740 13 2 "[ .- 1 + . 2]"
1 93 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 11.425 0.651 3 6 "[ + . * 1 .* *-*]"
1 97 ASP 9.958 0.660 15 6 "[ ** 1 *-+ *2]"
1 98 PHE 5.869 0.472 19 0 "[ . 1 . 2]"
1 99 PRO 1.466 0.289 12 0 "[ . 1 . 2]"
1 100 VAL 2.308 0.375 14 0 "[ . 1 . 2]"
1 101 ALA 1.261 0.269 9 0 "[ . 1 . 2]"
1 102 ALA 3.670 0.361 17 0 "[ . 1 . 2]"
1 103 VAL 19.461 0.803 14 3 "[ . *- +. 2]"
1 104 LYS 13.365 0.966 17 2 "[ . 1 -. + 2]"
1 105 SER 4.174 0.803 14 3 "[ . *- +. 2]"
1 106 SER 7.281 0.966 17 2 "[ . 1 -. + 2]"
1 107 VAL 2.722 0.446 17 0 "[ . 1 . 2]"
1 108 VAL 3.228 0.448 3 0 "[ . 1 . 2]"
1 109 ALA 0.223 0.223 12 0 "[ . 1 . 2]"
1 110 THR 0.173 0.141 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 2 ALA HA 2.300 . 3.200 2.469 2.347 2.979 . 0 0 "[ . 1 . 2]" 2
2 1 2 ALA HA 1 4 SER H 3.100 . 4.400 3.473 2.965 4.635 0.235 16 0 "[ . 1 . 2]" 2
3 1 2 ALA H 1 99 PRO QB 3.100 . 4.300 3.090 1.774 4.589 0.289 12 0 "[ . 1 . 2]" 2
4 1 3 THR H 1 4 SER H 3.700 2.200 5.200 2.420 2.021 3.227 0.179 2 0 "[ . 1 . 2]" 2
5 1 3 THR MG 1 5 GLY H 3.400 . 4.700 4.097 2.942 4.880 0.180 13 0 "[ . 1 . 2]" 2
6 1 4 SER HA 1 5 GLY H 2.300 . 3.200 3.417 3.131 3.581 0.381 4 0 "[ . 1 . 2]" 2
7 1 4 SER H 1 5 GLY H 2.800 . 3.900 3.368 2.794 3.960 0.060 7 0 "[ . 1 . 2]" 2
8 1 5 GLY H 1 100 VAL QG 3.000 . 4.200 3.541 2.149 4.159 . 0 0 "[ . 1 . 2]" 2
9 1 5 GLY H 1 103 VAL MG1 3.900 . 5.500 5.752 5.611 5.986 0.486 7 0 "[ . 1 . 2]" 2
10 1 6 PHE H 1 6 PHE QB 2.900 . 4.100 2.523 2.372 2.691 . 0 0 "[ . 1 . 2]" 2
11 1 6 PHE HA 1 7 LYS H 2.700 . 3.800 2.234 2.219 2.280 . 0 0 "[ . 1 . 2]" 2
12 1 6 PHE QB 1 7 LYS H 3.300 . 4.600 3.440 3.001 3.786 . 0 0 "[ . 1 . 2]" 2
13 1 6 PHE QB 1 64 PHE H 4.300 . 6.000 3.273 2.988 3.451 . 0 0 "[ . 1 . 2]" 2
14 1 6 PHE H 1 64 PHE QB 4.400 . 5.300 3.274 2.738 3.811 . 0 0 "[ . 1 . 2]" 2
15 1 6 PHE H 1 64 PHE H 3.400 2.100 4.700 2.572 2.254 2.749 . 0 0 "[ . 1 . 2]" 2
16 1 6 PHE H 1 65 GLU H 4.300 2.600 6.000 5.032 4.740 5.349 . 0 0 "[ . 1 . 2]" 2
17 1 6 PHE QB 1 66 ASN H 3.200 . 4.500 4.839 4.587 5.101 0.601 13 3 "[ . 1- + . * 2]" 2
18 1 6 PHE H 1 66 ASN HA 3.900 2.300 5.500 4.751 4.174 5.507 0.007 7 0 "[ . 1 . 2]" 2
19 1 6 PHE HA 1 98 PHE H 3.500 2.100 4.900 5.102 4.931 5.259 0.359 19 0 "[ . 1 . 2]" 2
20 1 6 PHE H 1 100 VAL QG 3.400 . 4.700 4.318 3.390 5.075 0.375 14 0 "[ . 1 . 2]" 2
21 1 7 LYS H 1 7 LYS QD 4.000 . 5.600 4.748 4.567 4.907 . 0 0 "[ . 1 . 2]" 2
22 1 7 LYS HA 1 8 HIS H 3.000 . 4.200 2.120 2.096 2.156 . 0 0 "[ . 1 . 2]" 2
23 1 7 LYS QB 1 8 HIS H 3.300 . 4.600 3.614 3.406 3.714 . 0 0 "[ . 1 . 2]" 2
24 1 7 LYS QE 1 62 MET H 4.000 . 5.600 5.374 4.686 5.635 0.035 10 0 "[ . 1 . 2]" 2
25 1 7 LYS QB 1 97 ASP H 4.200 . 5.900 6.300 6.014 6.560 0.660 15 6 "[ ** 1 *-+ *2]" 2
26 1 7 LYS QD 1 98 PHE H 4.300 . 6.000 4.954 4.168 5.851 . 0 0 "[ . 1 . 2]" 2
27 1 7 LYS QE 1 98 PHE H 3.000 . 4.200 3.928 2.725 4.672 0.472 19 0 "[ . 1 . 2]" 2
28 1 7 LYS H 1 98 PHE H 3.000 . 4.200 3.287 3.011 3.506 . 0 0 "[ . 1 . 2]" 2
29 1 8 HIS H 1 8 HIS QB 3.700 . 5.200 2.572 2.442 2.645 . 0 0 "[ . 1 . 2]" 2
30 1 8 HIS QB 1 9 LEU H 4.300 . 6.000 3.613 3.232 3.859 . 0 0 "[ . 1 . 2]" 2
31 1 8 HIS H 1 62 MET H 3.900 2.300 5.500 3.618 2.966 4.044 . 0 0 "[ . 1 . 2]" 2
32 1 8 HIS H 1 63 THR H 4.000 2.400 5.600 4.678 4.416 4.907 . 0 0 "[ . 1 . 2]" 2
33 1 9 LEU HA 1 10 VAL H 2.800 . 3.900 2.225 2.204 2.245 . 0 0 "[ . 1 . 2]" 2
34 1 9 LEU H 1 10 VAL HB 4.000 2.400 5.600 5.170 5.054 6.041 0.441 15 0 "[ . 1 . 2]" 2
35 1 9 LEU H 1 10 VAL MG1 4.300 . 6.000 5.433 5.014 6.140 0.140 15 0 "[ . 1 . 2]" 2
36 1 9 LEU H 1 10 VAL H 4.300 2.600 6.000 4.400 4.388 4.411 . 0 0 "[ . 1 . 2]" 2
37 1 9 LEU HA 1 60 PHE H 3.200 . 4.500 4.480 4.157 5.038 0.538 18 1 "[ . 1 . + 2]" 2
38 1 9 LEU HA 1 61 SER H 4.300 2.600 6.000 5.130 4.787 5.389 . 0 0 "[ . 1 . 2]" 2
39 1 9 LEU MD1 1 62 MET H 3.900 . 5.500 4.305 3.898 4.694 . 0 0 "[ . 1 . 2]" 2
40 1 9 LEU H 1 95 LEU HA 4.400 2.600 6.200 4.270 4.118 4.430 . 0 0 "[ . 1 . 2]" 2
41 1 9 LEU H 1 95 LEU QB 3.900 . 5.400 3.819 3.459 4.026 . 0 0 "[ . 1 . 2]" 2
42 1 9 LEU HA 1 96 LEU H 3.100 . 4.300 4.773 4.644 4.951 0.651 3 6 "[ + . * 1 .* *-*]" 2
43 1 9 LEU QB 1 96 LEU H 3.700 . 5.200 2.981 2.694 3.192 . 0 0 "[ . 1 . 2]" 2
44 1 9 LEU H 1 96 LEU H 3.500 2.100 4.900 2.983 2.674 3.233 . 0 0 "[ . 1 . 2]" 2
45 1 9 LEU H 1 97 ASP QB 3.800 . 5.300 4.235 3.343 5.230 . 0 0 "[ . 1 . 2]" 2
46 1 10 VAL H 1 10 VAL HB 3.100 . 4.400 3.079 2.575 3.303 . 0 0 "[ . 1 . 2]" 2
47 1 10 VAL HA 1 11 VAL H 2.900 . 4.100 2.233 2.217 2.252 . 0 0 "[ . 1 . 2]" 2
48 1 10 VAL MG2 1 11 VAL H 3.100 . 4.300 2.473 2.220 3.918 . 0 0 "[ . 1 . 2]" 2
49 1 10 VAL H 1 59 ALA HA 4.300 2.600 6.000 4.634 4.234 5.002 . 0 0 "[ . 1 . 2]" 2
50 1 10 VAL H 1 60 PHE H 3.600 2.100 5.100 2.794 2.526 3.336 . 0 0 "[ . 1 . 2]" 2
51 1 10 VAL H 1 61 SER HA 3.900 2.300 5.500 4.004 3.599 4.385 . 0 0 "[ . 1 . 2]" 2
52 1 10 VAL H 1 61 SER QB 4.300 . 5.700 5.595 5.099 5.897 0.197 1 0 "[ . 1 . 2]" 2
53 1 10 VAL H 1 62 MET H 4.200 2.500 5.900 4.533 4.009 5.119 . 0 0 "[ . 1 . 2]" 2
54 1 10 VAL HA 1 94 VAL H 4.500 2.700 6.300 4.269 4.116 4.498 . 0 0 "[ . 1 . 2]" 2
55 1 11 VAL HA 1 12 VAL H 2.600 . 3.700 2.251 2.241 2.263 . 0 0 "[ . 1 . 2]" 2
56 1 11 VAL HB 1 12 VAL H 3.700 2.200 5.200 3.873 3.705 3.958 . 0 0 "[ . 1 . 2]" 2
57 1 11 VAL MG1 1 58 HIS H 4.100 . 5.700 4.225 3.787 4.863 . 0 0 "[ . 1 . 2]" 2
58 1 11 VAL H 1 93 ILE QG 4.400 . 5.200 4.446 4.107 4.818 . 0 0 "[ . 1 . 2]" 2
59 1 11 VAL MG2 1 94 VAL H 3.600 . 5.100 4.191 4.025 4.492 . 0 0 "[ . 1 . 2]" 2
60 1 11 VAL H 1 94 VAL MG2 3.500 . 4.900 4.005 1.860 4.268 . 0 0 "[ . 1 . 2]" 2
61 1 11 VAL MG2 1 95 LEU H 4.500 . 6.300 4.829 4.548 5.187 . 0 0 "[ . 1 . 2]" 2
62 1 11 VAL H 1 96 LEU H 4.100 2.500 5.700 5.156 4.837 5.354 . 0 0 "[ . 1 . 2]" 2
63 1 12 VAL H 1 13 LYS H 4.000 2.400 5.600 4.468 4.442 4.494 . 0 0 "[ . 1 . 2]" 2
64 1 12 VAL MG2 1 57 THR H 4.000 . 5.600 4.478 3.969 5.854 0.254 5 0 "[ . 1 . 2]" 2
65 1 12 VAL MG2 1 58 HIS H 3.400 . 4.800 3.003 2.555 3.448 . 0 0 "[ . 1 . 2]" 2
66 1 12 VAL H 1 58 HIS HA 3.600 2.100 5.100 5.259 5.128 5.431 0.331 19 0 "[ . 1 . 2]" 2
67 1 12 VAL H 1 58 HIS H 3.700 2.200 5.200 3.448 3.043 3.916 . 0 0 "[ . 1 . 2]" 2
68 1 12 VAL H 1 59 ALA MB 3.300 . 4.600 3.613 3.119 4.180 . 0 0 "[ . 1 . 2]" 2
69 1 12 VAL MG1 1 92 LYS H 3.800 . 5.300 4.899 4.648 5.349 0.049 12 0 "[ . 1 . 2]" 2
70 1 12 VAL HA 1 94 VAL H 3.900 2.300 5.500 3.794 3.496 4.208 . 0 0 "[ . 1 . 2]" 2
71 1 12 VAL H 1 94 VAL H 4.200 2.500 5.900 5.269 5.070 5.646 . 0 0 "[ . 1 . 2]" 2
72 1 13 LYS H 1 13 LYS QB 2.900 . 4.100 2.550 2.307 2.677 . 0 0 "[ . 1 . 2]" 2
73 1 13 LYS HA 1 14 PHE H 2.700 . 3.800 2.374 2.336 2.400 . 0 0 "[ . 1 . 2]" 2
74 1 13 LYS QB 1 14 PHE H 3.100 . 4.300 3.276 2.720 3.543 . 0 0 "[ . 1 . 2]" 2
75 1 13 LYS H 1 56 PHE QB 4.500 . 6.300 5.443 4.543 6.307 0.007 4 0 "[ . 1 . 2]" 2
76 1 13 LYS HA 1 57 THR H 3.400 . 4.800 3.411 2.245 5.144 0.344 5 0 "[ . 1 . 2]" 2
77 1 13 LYS QD 1 57 THR H 4.100 . 5.800 3.514 1.865 4.936 . 0 0 "[ . 1 . 2]" 2
78 1 13 LYS HA 1 58 HIS H 3.200 . 4.500 4.091 3.635 4.355 . 0 0 "[ . 1 . 2]" 2
79 1 13 LYS H 1 90 ILE MD 4.000 . 5.600 4.427 3.363 5.202 . 0 0 "[ . 1 . 2]" 2
80 1 13 LYS H 1 90 ILE QG 4.200 . 5.900 4.405 3.528 5.460 . 0 0 "[ . 1 . 2]" 2
81 1 13 LYS H 1 91 ASP H 4.400 2.600 6.200 3.359 2.890 3.865 . 0 0 "[ . 1 . 2]" 2
82 1 13 LYS H 1 92 LYS H 3.200 . 4.500 2.702 2.398 3.085 . 0 0 "[ . 1 . 2]" 2
83 1 13 LYS H 1 93 ILE HA 4.100 2.500 5.700 4.668 4.500 4.783 . 0 0 "[ . 1 . 2]" 2
84 1 14 PHE H 1 14 PHE QB 3.300 . 4.600 2.658 2.431 2.729 . 0 0 "[ . 1 . 2]" 2
85 1 14 PHE HA 1 15 LYS H 3.000 . 4.200 2.293 2.254 2.366 . 0 0 "[ . 1 . 2]" 2
86 1 14 PHE QB 1 15 LYS H 3.300 . 4.600 2.872 2.702 3.338 . 0 0 "[ . 1 . 2]" 2
87 1 14 PHE H 1 15 LYS H 3.700 2.200 5.200 4.586 4.564 4.597 . 0 0 "[ . 1 . 2]" 2
88 1 14 PHE HA 1 16 GLU H 3.300 . 4.600 3.844 3.712 5.046 0.446 12 0 "[ . 1 . 2]" 2
89 1 14 PHE HA 1 17 ASP H 3.300 . 4.600 4.630 4.493 5.037 0.437 12 0 "[ . 1 . 2]" 2
90 1 14 PHE HA 1 18 THR H 2.700 . 3.800 4.048 3.889 4.184 0.384 11 0 "[ . 1 . 2]" 2
91 1 14 PHE QB 1 18 THR H 4.200 . 5.900 1.700 1.354 1.875 . 0 0 "[ . 1 . 2]" 2
92 1 14 PHE H 1 56 PHE HA 4.300 2.600 6.000 5.761 5.147 6.242 0.242 16 0 "[ . 1 . 2]" 2
93 1 14 PHE H 1 92 LYS QG 4.400 . 6.200 5.725 5.238 6.940 0.740 13 2 "[ .- 1 + . 2]" 2
94 1 15 LYS H 1 15 LYS QB 3.000 . 4.200 2.987 2.778 3.086 . 0 0 "[ . 1 . 2]" 2
95 1 15 LYS H 1 15 LYS QG 3.500 . 4.400 2.096 1.776 2.313 . 0 0 "[ . 1 . 2]" 2
96 1 15 LYS HA 1 16 GLU H 3.100 . 4.300 3.462 3.430 3.574 . 0 0 "[ . 1 . 2]" 2
97 1 15 LYS QB 1 16 GLU H 3.800 . 5.300 3.583 2.551 3.689 . 0 0 "[ . 1 . 2]" 2
98 1 15 LYS QG 1 16 GLU H 4.400 . 6.200 2.300 1.454 2.502 . 0 0 "[ . 1 . 2]" 2
99 1 15 LYS QB 1 17 ASP H 4.100 . 5.700 5.532 4.625 5.641 . 0 0 "[ . 1 . 2]" 2
100 1 15 LYS QG 1 18 THR H 4.100 . 5.700 5.670 4.790 5.824 0.124 6 0 "[ . 1 . 2]" 2
101 1 15 LYS H 1 18 THR MG 4.000 . 5.600 5.943 5.782 6.347 0.747 12 1 "[ . 1 + . 2]" 2
102 1 15 LYS H 1 90 ILE HA 3.600 2.200 5.000 4.317 3.934 4.702 . 0 0 "[ . 1 . 2]" 2
103 1 15 LYS QB 1 91 ASP H 3.500 . 4.900 5.006 4.467 6.084 1.184 12 1 "[ . 1 + . 2]" 2
104 1 15 LYS H 1 91 ASP H 3.600 2.200 5.000 4.190 3.953 4.393 . 0 0 "[ . 1 . 2]" 2
105 1 16 GLU H 1 16 GLU QB 2.900 . 4.100 2.407 2.346 2.521 . 0 0 "[ . 1 . 2]" 2
106 1 16 GLU QG 1 17 ASP H 3.200 . 4.500 3.674 3.344 3.864 . 0 0 "[ . 1 . 2]" 2
107 1 16 GLU H 1 17 ASP H 3.600 2.200 5.000 2.359 2.292 2.437 . 0 0 "[ . 1 . 2]" 2
108 1 16 GLU QB 1 18 THR H 3.400 . 4.800 4.211 3.890 5.196 0.396 12 0 "[ . 1 . 2]" 2
109 1 16 GLU QG 1 18 THR H 4.500 . 6.300 5.659 5.359 6.516 0.216 12 0 "[ . 1 . 2]" 2
110 1 17 ASP H 1 17 ASP HA 2.500 . 3.500 2.689 2.658 2.728 . 0 0 "[ . 1 . 2]" 2
111 1 17 ASP QB 1 18 THR H 3.200 . 4.500 3.993 3.896 4.061 . 0 0 "[ . 1 . 2]" 2
112 1 17 ASP H 1 18 THR HB 3.700 2.200 5.200 4.973 4.792 5.508 0.308 12 0 "[ . 1 . 2]" 2
113 1 17 ASP H 1 18 THR H 2.600 . 3.600 2.426 2.168 3.220 . 0 0 "[ . 1 . 2]" 2
114 1 18 THR H 1 18 THR MG 2.800 . 3.900 3.774 3.761 3.780 . 0 0 "[ . 1 . 2]" 2
115 1 18 THR MG 1 19 LYS H 3.200 . 4.500 2.958 1.794 3.132 . 0 0 "[ . 1 . 2]" 2
116 1 18 THR H 1 19 LYS QD 3.800 . 5.300 5.103 4.525 5.699 0.399 15 0 "[ . 1 . 2]" 2
117 1 18 THR H 1 19 LYS QG 4.100 . 5.700 5.595 5.073 6.102 0.402 12 0 "[ . 1 . 2]" 2
118 1 18 THR H 1 19 LYS H 3.300 . 4.600 4.405 4.340 4.660 0.060 12 0 "[ . 1 . 2]" 2
119 1 18 THR HA 1 20 VAL H 4.500 2.700 6.300 4.900 4.727 5.071 . 0 0 "[ . 1 . 2]" 2
120 1 18 THR MG 1 20 VAL H 3.700 . 5.200 3.140 3.015 3.295 . 0 0 "[ . 1 . 2]" 2
121 1 18 THR H 1 20 VAL MG1 3.600 . 5.000 5.076 4.354 5.407 0.407 17 0 "[ . 1 . 2]" 2
122 1 19 LYS H 1 20 VAL H 4.400 2.600 6.200 4.023 3.948 4.084 . 0 0 "[ . 1 . 2]" 2
123 1 19 LYS QG 1 21 ASP H 3.800 . 5.300 5.380 5.055 5.702 0.402 9 0 "[ . 1 . 2]" 2
124 1 19 LYS HA 1 22 GLU H 3.900 2.400 5.400 4.112 3.971 4.245 . 0 0 "[ . 1 . 2]" 2
125 1 19 LYS QG 1 22 GLU H 3.500 . 4.900 4.255 3.655 4.824 . 0 0 "[ . 1 . 2]" 2
126 1 20 VAL H 1 20 VAL MG1 2.500 . 3.500 2.065 1.911 2.235 . 0 0 "[ . 1 . 2]" 2
127 1 20 VAL HA 1 21 ASP H 3.200 . 4.500 3.536 3.518 3.552 . 0 0 "[ . 1 . 2]" 2
128 1 20 VAL H 1 21 ASP H 2.700 . 3.800 2.745 2.673 2.819 . 0 0 "[ . 1 . 2]" 2
129 1 20 VAL HA 1 22 GLU H 3.900 2.300 5.500 4.520 4.309 4.728 . 0 0 "[ . 1 . 2]" 2
130 1 20 VAL MG1 1 22 GLU H 3.800 . 5.300 5.509 5.421 5.566 0.266 7 0 "[ . 1 . 2]" 2
131 1 20 VAL H 1 22 GLU H 4.400 2.600 6.200 4.381 4.322 4.454 . 0 0 "[ . 1 . 2]" 2
132 1 20 VAL HB 1 23 ILE H 3.900 2.400 5.400 5.230 5.117 5.378 . 0 0 "[ . 1 . 2]" 2
133 1 20 VAL MG2 1 23 ILE H 3.700 . 5.200 4.761 4.643 4.854 . 0 0 "[ . 1 . 2]" 2
134 1 20 VAL MG2 1 24 LEU H 3.900 . 5.400 4.707 4.433 4.863 . 0 0 "[ . 1 . 2]" 2
135 1 21 ASP H 1 22 GLU QB 3.200 . 4.500 4.687 4.539 4.844 0.344 16 0 "[ . 1 . 2]" 2
136 1 21 ASP H 1 22 GLU H 2.600 . 3.600 2.758 2.715 2.829 . 0 0 "[ . 1 . 2]" 2
137 1 21 ASP H 1 23 ILE QG 3.800 . 5.300 5.440 5.228 5.941 0.641 3 1 "[ + . 1 . 2]" 2
138 1 21 ASP H 1 23 ILE MG 3.900 . 5.400 5.592 5.396 5.690 0.290 13 0 "[ . 1 . 2]" 2
139 1 21 ASP H 1 24 LEU MD1 3.900 . 5.500 5.765 5.630 5.948 0.448 11 0 "[ . 1 . 2]" 2
140 1 22 GLU H 1 22 GLU HA 2.700 . 3.800 2.902 2.888 2.921 . 0 0 "[ . 1 . 2]" 2
141 1 22 GLU H 1 22 GLU QB 2.300 . 3.200 2.339 2.269 2.456 . 0 0 "[ . 1 . 2]" 2
142 1 22 GLU H 1 23 ILE MD 3.900 . 5.500 5.493 3.691 5.935 0.435 12 0 "[ . 1 . 2]" 2
143 1 22 GLU H 1 23 ILE QG 3.800 . 5.300 4.566 4.430 5.486 0.186 3 0 "[ . 1 . 2]" 2
144 1 22 GLU H 1 23 ILE MG 4.100 . 5.700 5.482 5.347 5.552 . 0 0 "[ . 1 . 2]" 2
145 1 22 GLU HA 1 25 LYS H 2.500 . 3.500 3.224 3.112 3.365 . 0 0 "[ . 1 . 2]" 2
146 1 23 ILE H 1 23 ILE MD 3.300 . 4.600 3.742 2.002 4.039 . 0 0 "[ . 1 . 2]" 2
147 1 23 ILE H 1 23 ILE MG 3.100 . 4.300 3.623 3.536 3.656 . 0 0 "[ . 1 . 2]" 2
148 1 23 ILE MD 1 24 LEU H 4.100 . 5.800 4.552 3.966 4.671 . 0 0 "[ . 1 . 2]" 2
149 1 23 ILE QG 1 24 LEU H 3.900 . 5.500 4.177 4.079 4.422 . 0 0 "[ . 1 . 2]" 2
150 1 23 ILE H 1 24 LEU MD2 4.400 . 6.200 6.023 5.937 6.146 . 0 0 "[ . 1 . 2]" 2
151 1 23 ILE H 1 24 LEU H 3.100 . 4.300 2.460 2.330 2.603 . 0 0 "[ . 1 . 2]" 2
152 1 23 ILE H 1 25 LYS H 3.600 2.200 5.000 3.936 3.858 4.062 . 0 0 "[ . 1 . 2]" 2
153 1 23 ILE QG 1 26 GLY H 3.600 . 5.100 5.283 5.030 5.489 0.389 15 0 "[ . 1 . 2]" 2
154 1 23 ILE MG 1 26 GLY H 3.600 . 5.100 4.138 4.006 4.314 . 0 0 "[ . 1 . 2]" 2
155 1 24 LEU H 1 24 LEU MD2 3.100 . 4.300 4.249 3.971 4.311 0.011 4 0 "[ . 1 . 2]" 2
156 1 24 LEU HA 1 25 LYS H 3.500 2.100 4.900 3.573 3.558 3.590 . 0 0 "[ . 1 . 2]" 2
157 1 24 LEU QB 1 25 LYS H 2.700 . 3.800 2.597 2.527 2.674 . 0 0 "[ . 1 . 2]" 2
158 1 24 LEU MD2 1 25 LYS H 3.200 . 4.500 4.220 4.050 4.349 . 0 0 "[ . 1 . 2]" 2
159 1 24 LEU H 1 25 LYS HA 3.700 2.200 5.200 5.402 5.360 5.449 0.249 4 0 "[ . 1 . 2]" 2
160 1 24 LEU H 1 25 LYS H 2.900 . 4.100 2.776 2.722 2.836 . 0 0 "[ . 1 . 2]" 2
161 1 24 LEU MD2 1 26 GLY H 4.200 . 5.900 5.821 4.493 6.043 0.143 12 0 "[ . 1 . 2]" 2
162 1 24 LEU MD1 1 27 LEU H 3.300 . 4.600 4.571 4.351 4.733 0.133 12 0 "[ . 1 . 2]" 2
163 1 24 LEU MD1 1 28 GLU H 3.500 . 4.900 4.343 3.592 4.713 . 0 0 "[ . 1 . 2]" 2
164 1 25 LYS H 1 25 LYS QB 2.300 . 3.200 2.275 2.107 2.428 . 0 0 "[ . 1 . 2]" 2
165 1 25 LYS QB 1 26 GLY H 2.700 . 3.800 2.800 2.587 3.552 . 0 0 "[ . 1 . 2]" 2
166 1 25 LYS QG 1 26 GLY H 3.500 . 4.900 3.901 1.917 4.500 . 0 0 "[ . 1 . 2]" 2
167 1 25 LYS H 1 27 LEU H 3.100 . 4.300 4.201 3.741 4.466 0.166 10 0 "[ . 1 . 2]" 2
168 1 25 LYS HA 1 28 GLU H 3.200 . 4.500 3.581 3.295 3.989 . 0 0 "[ . 1 . 2]" 2
169 1 25 LYS QB 1 28 GLU H 3.900 . 5.500 5.123 4.875 5.451 . 0 0 "[ . 1 . 2]" 2
170 1 25 LYS QB 1 29 ASN H 4.400 . 6.200 5.379 4.777 5.808 . 0 0 "[ . 1 . 2]" 2
171 1 26 GLY H 1 26 GLY HA3 2.400 . 3.400 2.355 2.345 2.374 . 0 0 "[ . 1 . 2]" 2
172 1 26 GLY H 1 27 LEU H 2.900 . 4.100 2.599 2.379 2.781 . 0 0 "[ . 1 . 2]" 2
173 1 26 GLY H 1 28 GLU QG 4.100 . 5.700 4.464 3.796 5.165 . 0 0 "[ . 1 . 2]" 2
174 1 26 GLY H 1 28 GLU H 4.100 2.500 5.700 4.141 3.908 4.553 . 0 0 "[ . 1 . 2]" 2
175 1 26 GLY HA2 1 29 ASN H 3.300 . 4.600 3.319 3.168 3.591 . 0 0 "[ . 1 . 2]" 2
176 1 27 LEU HA 1 28 GLU H 3.800 2.300 5.300 3.591 3.555 3.607 . 0 0 "[ . 1 . 2]" 2
177 1 27 LEU QB 1 28 GLU H 3.100 . 4.300 2.419 2.137 2.686 . 0 0 "[ . 1 . 2]" 2
178 1 27 LEU HG 1 28 GLU H 3.500 2.100 4.900 4.792 4.452 5.101 0.201 2 0 "[ . 1 . 2]" 2
179 1 27 LEU H 1 28 GLU H 2.900 . 4.100 2.931 2.752 3.016 . 0 0 "[ . 1 . 2]" 2
180 1 27 LEU QB 1 29 ASN H 4.200 . 5.900 4.507 4.213 4.758 . 0 0 "[ . 1 . 2]" 2
181 1 27 LEU H 1 29 ASN HD21 4.100 2.500 5.700 5.280 4.014 6.186 0.486 3 0 "[ . 1 . 2]" 2
182 1 27 LEU H 1 29 ASN H 3.900 2.300 5.500 4.093 3.583 4.356 . 0 0 "[ . 1 . 2]" 2
183 1 27 LEU MD2 1 30 LEU H 4.100 . 5.800 4.140 3.688 4.649 . 0 0 "[ . 1 . 2]" 2
184 1 28 GLU QG 1 29 ASN H 2.800 . 3.900 3.101 1.704 4.075 0.175 7 0 "[ . 1 . 2]" 2
185 1 28 GLU H 1 29 ASN QB 3.800 . 5.300 4.502 4.298 4.822 . 0 0 "[ . 1 . 2]" 2
186 1 28 GLU H 1 29 ASN H 2.800 . 3.900 2.717 2.661 2.773 . 0 0 "[ . 1 . 2]" 2
187 1 28 GLU HA 1 30 LEU H 3.800 2.300 5.300 4.399 4.214 4.709 . 0 0 "[ . 1 . 2]" 2
188 1 28 GLU HA 1 31 VAL H 3.100 . 4.400 3.368 3.239 3.607 . 0 0 "[ . 1 . 2]" 2
189 1 29 ASN H 1 30 LEU QB 4.000 . 5.600 4.258 4.141 4.342 . 0 0 "[ . 1 . 2]" 2
190 1 29 ASN H 1 30 LEU H 2.800 . 3.900 2.643 2.579 2.734 . 0 0 "[ . 1 . 2]" 2
191 1 29 ASN QB 1 31 VAL H 4.300 . 6.000 4.867 4.673 5.139 . 0 0 "[ . 1 . 2]" 2
192 1 29 ASN H 1 31 VAL MG2 4.100 . 5.800 4.717 4.439 5.140 . 0 0 "[ . 1 . 2]" 2
193 1 29 ASN HA 1 32 SER H 3.100 . 4.300 3.342 3.244 3.436 . 0 0 "[ . 1 . 2]" 2
194 1 29 ASN QB 1 32 SER H 4.300 . 6.000 4.655 4.433 4.827 . 0 0 "[ . 1 . 2]" 2
195 1 30 LEU H 1 31 VAL HB 3.900 2.300 5.500 5.046 4.911 5.184 . 0 0 "[ . 1 . 2]" 2
196 1 30 LEU H 1 31 VAL H 2.500 . 3.500 2.881 2.811 2.969 . 0 0 "[ . 1 . 2]" 2
197 1 30 LEU QB 1 32 SER H 3.700 . 5.200 4.336 4.272 4.488 . 0 0 "[ . 1 . 2]" 2
198 1 30 LEU H 1 32 SER H 3.600 2.200 5.000 4.013 3.908 4.185 . 0 0 "[ . 1 . 2]" 2
199 1 30 LEU HA 1 33 GLN H 3.500 2.100 4.900 3.753 3.437 4.040 . 0 0 "[ . 1 . 2]" 2
200 1 30 LEU QB 1 33 GLN H 3.600 . 5.000 4.953 4.697 5.206 0.206 2 0 "[ . 1 . 2]" 2
201 1 30 LEU MD2 1 33 GLN H 3.800 . 5.300 4.930 3.424 5.480 0.180 18 0 "[ . 1 . 2]" 2
202 1 31 VAL HB 1 32 SER H 3.200 . 4.500 2.902 2.675 3.076 . 0 0 "[ . 1 . 2]" 2
203 1 31 VAL H 1 32 SER QB 4.200 . 5.900 4.626 4.439 4.973 . 0 0 "[ . 1 . 2]" 2
204 1 31 VAL H 1 32 SER H 2.800 . 3.900 2.743 2.650 2.851 . 0 0 "[ . 1 . 2]" 2
205 1 31 VAL HA 1 33 GLN H 4.100 2.500 5.700 3.972 3.706 4.307 . 0 0 "[ . 1 . 2]" 2
206 1 31 VAL H 1 33 GLN H 3.900 2.300 5.500 4.598 4.378 4.704 . 0 0 "[ . 1 . 2]" 2
207 1 31 VAL HA 1 34 ILE H 3.600 2.100 5.100 2.881 2.652 3.549 . 0 0 "[ . 1 . 2]" 2
208 1 31 VAL MG2 1 34 ILE H 3.500 . 4.900 4.739 4.568 5.062 0.162 12 0 "[ . 1 . 2]" 2
209 1 31 VAL MG2 1 41 GLU H 3.900 . 5.500 5.129 4.633 5.598 0.098 4 0 "[ . 1 . 2]" 2
210 1 32 SER HA 1 33 GLN H 3.100 . 4.400 3.566 3.544 3.581 . 0 0 "[ . 1 . 2]" 2
211 1 32 SER H 1 33 GLN QB 4.000 . 5.600 5.011 4.591 5.279 . 0 0 "[ . 1 . 2]" 2
212 1 32 SER H 1 33 GLN H 2.700 . 3.800 2.924 2.856 2.975 . 0 0 "[ . 1 . 2]" 2
213 1 32 SER QB 1 34 ILE H 4.300 . 6.000 4.529 4.271 5.086 . 0 0 "[ . 1 . 2]" 2
214 1 32 SER H 1 34 ILE H 3.500 2.100 4.900 4.048 3.878 4.657 . 0 0 "[ . 1 . 2]" 2
215 1 33 GLN QB 1 34 ILE H 3.500 . 4.900 3.282 2.519 3.822 . 0 0 "[ . 1 . 2]" 2
216 1 33 GLN QG 1 34 ILE H 3.400 . 4.800 3.728 2.067 4.742 . 0 0 "[ . 1 . 2]" 2
217 1 33 GLN H 1 34 ILE H 2.600 . 3.600 2.684 2.416 2.921 . 0 0 "[ . 1 . 2]" 2
218 1 33 GLN H 1 78 LEU MD2 3.500 . 4.900 3.854 3.549 4.653 . 0 0 "[ . 1 . 2]" 2
219 1 34 ILE H 1 34 ILE QG 3.000 . 4.200 2.188 1.775 2.606 . 0 0 "[ . 1 . 2]" 2
220 1 34 ILE H 1 34 ILE MG 3.100 . 4.400 3.848 3.790 3.924 . 0 0 "[ . 1 . 2]" 2
221 1 34 ILE MD 1 35 ASP H 3.700 . 5.200 5.088 4.261 5.584 0.384 3 0 "[ . 1 . 2]" 2
222 1 34 ILE QG 1 35 ASP H 3.800 . 5.300 4.466 4.331 4.643 . 0 0 "[ . 1 . 2]" 2
223 1 34 ILE H 1 35 ASP H 3.700 2.200 5.200 2.953 2.726 3.422 . 0 0 "[ . 1 . 2]" 2
224 1 34 ILE HB 1 36 THR H 4.200 2.500 5.900 4.551 4.196 5.138 . 0 0 "[ . 1 . 2]" 2
225 1 34 ILE MD 1 36 THR H 3.800 . 5.300 5.115 4.072 5.742 0.442 7 0 "[ . 1 . 2]" 2
226 1 34 ILE HB 1 37 VAL H 3.500 2.100 4.900 4.258 3.618 4.457 . 0 0 "[ . 1 . 2]" 2
227 1 34 ILE MG 1 37 VAL H 2.900 . 4.000 2.568 2.184 2.848 . 0 0 "[ . 1 . 2]" 2
228 1 34 ILE H 1 78 LEU MD2 4.100 . 5.700 5.860 5.406 6.154 0.454 20 0 "[ . 1 . 2]" 2
229 1 35 ASP H 1 36 THR H 2.900 . 4.100 2.439 2.306 2.491 . 0 0 "[ . 1 . 2]" 2
230 1 35 ASP QB 1 37 VAL H 3.700 . 5.200 4.490 4.278 4.640 . 0 0 "[ . 1 . 2]" 2
231 1 35 ASP H 1 37 VAL MG1 4.300 . 6.000 5.260 5.063 5.420 . 0 0 "[ . 1 . 2]" 2
232 1 36 THR HA 1 37 VAL H 2.800 . 3.900 3.322 3.276 3.389 . 0 0 "[ . 1 . 2]" 2
233 1 36 THR H 1 37 VAL MG1 3.500 . 4.900 4.302 4.211 4.439 . 0 0 "[ . 1 . 2]" 2
234 1 37 VAL H 1 37 VAL MG2 2.700 . 3.800 3.036 2.904 3.159 . 0 0 "[ . 1 . 2]" 2
235 1 37 VAL HB 1 38 LYS H 4.100 2.400 5.800 4.447 4.412 4.464 . 0 0 "[ . 1 . 2]" 2
236 1 37 VAL MG1 1 38 LYS H 3.600 . 5.000 4.312 4.204 4.352 . 0 0 "[ . 1 . 2]" 2
237 1 37 VAL MG2 1 38 LYS H 3.300 . 4.600 3.535 3.266 3.724 . 0 0 "[ . 1 . 2]" 2
238 1 37 VAL H 1 38 LYS H 3.600 2.200 5.000 2.983 2.884 3.098 . 0 0 "[ . 1 . 2]" 2
239 1 37 VAL HA 1 39 SER H 3.300 . 4.600 3.481 3.320 4.963 0.363 10 0 "[ . 1 . 2]" 2
240 1 38 LYS H 1 38 LYS QB 3.300 . 4.600 2.564 2.381 3.008 . 0 0 "[ . 1 . 2]" 2
241 1 38 LYS H 1 38 LYS QG 2.600 . 3.700 2.997 2.036 3.683 . 0 0 "[ . 1 . 2]" 2
242 1 38 LYS QB 1 39 SER H 3.100 . 4.300 3.825 2.239 4.053 . 0 0 "[ . 1 . 2]" 2
243 1 38 LYS H 1 39 SER H 2.700 . 3.800 2.733 2.357 2.855 . 0 0 "[ . 1 . 2]" 2
244 1 38 LYS QG 1 65 GLU H 3.200 . 4.500 4.490 3.154 5.070 0.570 7 3 "[ . + 1 * . - 2]" 2
245 1 38 LYS QD 1 66 ASN H 3.600 . 5.000 4.838 2.880 5.314 0.314 20 0 "[ . 1 . 2]" 2
246 1 39 SER HA 1 40 PHE H 2.600 . 3.600 2.608 2.410 2.723 . 0 0 "[ . 1 . 2]" 2
247 1 39 SER H 1 40 PHE H 3.800 2.400 5.300 4.408 4.382 4.597 . 0 0 "[ . 1 . 2]" 2
248 1 39 SER H 1 64 PHE HA 3.300 . 4.600 4.796 4.416 4.929 0.329 12 0 "[ . 1 . 2]" 2
249 1 39 SER H 1 65 GLU QB 3.800 . 5.300 4.333 3.600 5.216 . 0 0 "[ . 1 . 2]" 2
250 1 40 PHE H 1 40 PHE QB 3.400 . 4.800 2.768 2.718 2.827 . 0 0 "[ . 1 . 2]" 2
251 1 40 PHE QB 1 41 GLU H 3.900 . 5.500 2.624 2.355 3.323 . 0 0 "[ . 1 . 2]" 2
252 1 40 PHE H 1 41 GLU H 3.100 . 4.300 4.452 4.447 4.456 0.156 7 0 "[ . 1 . 2]" 2
253 1 40 PHE HA 1 63 THR H 4.000 2.400 5.600 4.567 4.472 4.659 . 0 0 "[ . 1 . 2]" 2
254 1 40 PHE H 1 63 THR H 4.600 2.800 6.400 2.729 2.431 3.305 0.369 17 0 "[ . 1 . 2]" 2
255 1 41 GLU QB 1 42 TRP H 3.100 . 4.300 3.288 3.165 3.415 . 0 0 "[ . 1 . 2]" 2
256 1 41 GLU QG 1 42 TRP H 3.400 . 4.800 4.272 4.145 4.397 . 0 0 "[ . 1 . 2]" 2
257 1 41 GLU QB 1 61 SER H 4.100 . 5.700 4.871 4.334 5.221 . 0 0 "[ . 1 . 2]" 2
258 1 41 GLU QG 1 61 SER H 4.000 . 5.600 5.665 5.312 5.833 0.233 2 0 "[ . 1 . 2]" 2
259 1 41 GLU QG 1 63 THR H 3.800 . 5.300 3.420 3.165 3.788 . 0 0 "[ . 1 . 2]" 2
260 1 41 GLU H 1 63 THR MG 4.600 . 6.400 6.729 6.645 6.814 0.414 10 0 "[ . 1 . 2]" 2
261 1 41 GLU H 1 63 THR H 4.000 2.400 5.600 4.777 4.504 4.939 . 0 0 "[ . 1 . 2]" 2
262 1 42 TRP H 1 43 GLY H 4.500 2.700 6.300 4.485 4.425 4.587 . 0 0 "[ . 1 . 2]" 2
263 1 42 TRP H 1 60 PHE HA 3.600 2.200 5.000 4.278 3.895 4.681 . 0 0 "[ . 1 . 2]" 2
264 1 42 TRP H 1 61 SER H 3.400 . 4.800 2.724 2.469 3.129 . 0 0 "[ . 1 . 2]" 2
265 1 42 TRP H 1 63 THR H 4.200 2.500 5.900 5.460 5.082 5.711 . 0 0 "[ . 1 . 2]" 2
266 1 43 GLY H 1 60 PHE QB 4.500 . 6.300 6.322 5.966 6.590 0.290 15 0 "[ . 1 . 2]" 2
267 1 44 GLU HA 1 45 ASP H 2.700 . 3.800 2.240 2.161 2.501 . 0 0 "[ . 1 . 2]" 2
268 1 44 GLU QB 1 45 ASP H 3.100 . 4.300 2.891 2.280 3.460 . 0 0 "[ . 1 . 2]" 2
269 1 44 GLU H 1 45 ASP HA 3.900 2.300 5.500 4.754 4.621 5.062 . 0 0 "[ . 1 . 2]" 2
270 1 44 GLU H 1 45 ASP H 4.100 2.400 5.800 4.297 4.203 4.452 . 0 0 "[ . 1 . 2]" 2
271 1 44 GLU QB 1 58 HIS H 4.200 . 5.900 6.265 5.941 7.145 1.245 7 3 "[ . + 1 . - *]" 2
272 1 44 GLU H 1 58 HIS QB 3.100 . 4.300 4.337 3.382 4.831 0.531 19 1 "[ . 1 . +2]" 2
273 1 44 GLU HA 1 59 ALA H 3.200 . 4.500 4.761 4.585 5.046 0.546 20 2 "[ . - 1 . +]" 2
274 1 44 GLU H 1 59 ALA H 3.300 . 4.600 2.743 2.300 3.187 . 0 0 "[ . 1 . 2]" 2
275 1 45 ASP H 1 45 ASP QB 3.500 . 4.900 2.703 2.462 3.241 . 0 0 "[ . 1 . 2]" 2
276 1 45 ASP QB 1 46 LYS H 3.700 . 5.200 3.297 2.409 4.092 . 0 0 "[ . 1 . 2]" 2
277 1 45 ASP H 1 46 LYS H 3.900 2.300 5.500 4.272 3.385 4.530 . 0 0 "[ . 1 . 2]" 2
278 1 45 ASP H 1 58 HIS HA 3.600 2.200 5.000 4.563 4.315 5.001 0.001 3 0 "[ . 1 . 2]" 2
279 1 45 ASP H 1 58 HIS QB 4.100 . 5.800 5.090 4.368 5.839 0.039 17 0 "[ . 1 . 2]" 2
280 1 45 ASP H 1 59 ALA H 4.200 2.500 5.900 5.147 4.839 5.605 . 0 0 "[ . 1 . 2]" 2
281 1 46 LYS QD 1 47 GLU H 3.400 . 4.800 4.590 3.155 5.748 0.948 20 2 "[ . 1 - . +]" 2
282 1 46 LYS QG 1 47 GLU H 3.600 . 5.000 4.236 3.421 4.847 . 0 0 "[ . 1 . 2]" 2
283 1 46 LYS H 1 47 GLU QG 3.500 . 4.900 3.958 2.977 5.011 0.111 11 0 "[ . 1 . 2]" 2
284 1 46 LYS QD 1 56 PHE H 3.400 . 4.800 4.486 3.413 5.261 0.461 20 0 "[ . 1 . 2]" 2
285 1 46 LYS QE 1 57 THR H 4.000 . 5.600 3.342 1.876 4.682 . 0 0 "[ . 1 . 2]" 2
286 1 46 LYS QE 1 58 HIS H 4.100 . 5.800 4.316 2.178 6.191 0.391 20 0 "[ . 1 . 2]" 2
287 1 47 GLU QG 1 48 SER H 4.200 . 5.900 4.397 3.506 4.772 . 0 0 "[ . 1 . 2]" 2
288 1 47 GLU H 1 48 SER QB 4.500 . 6.300 3.759 3.240 4.623 . 0 0 "[ . 1 . 2]" 2
289 1 47 GLU H 1 48 SER H 2.700 . 3.800 2.666 1.568 3.372 0.032 6 0 "[ . 1 . 2]" 2
290 1 48 SER QB 1 49 HIS H 3.800 . 5.300 2.964 1.697 4.070 . 0 0 "[ . 1 . 2]" 2
291 1 49 HIS QB 1 50 ASP H 4.000 . 5.200 3.227 2.699 3.890 . 0 0 "[ . 1 . 2]" 2
292 1 49 HIS H 1 50 ASP H 4.200 2.500 5.900 4.207 3.646 4.677 . 0 0 "[ . 1 . 2]" 2
293 1 49 HIS QB 1 52 LEU H 3.600 . 5.000 2.440 2.032 2.705 . 0 0 "[ . 1 . 2]" 2
294 1 49 HIS H 1 52 LEU QB 4.000 . 5.600 4.022 2.265 5.316 . 0 0 "[ . 1 . 2]" 2
295 1 50 ASP QB 1 51 MET H 4.300 . 6.000 2.723 2.452 3.343 . 0 0 "[ . 1 . 2]" 2
296 1 50 ASP H 1 51 MET QB 4.600 . 6.400 4.898 4.522 5.429 . 0 0 "[ . 1 . 2]" 2
297 1 50 ASP H 1 51 MET H 4.000 2.400 5.600 2.877 2.653 3.034 . 0 0 "[ . 1 . 2]" 2
298 1 51 MET QG 1 52 LEU H 3.700 . 5.200 3.641 2.045 4.567 . 0 0 "[ . 1 . 2]" 2
299 1 51 MET H 1 52 LEU H 3.500 2.100 4.900 2.644 2.460 2.805 . 0 0 "[ . 1 . 2]" 2
300 1 52 LEU H 1 52 LEU MD2 3.200 . 4.500 3.209 2.912 3.495 . 0 0 "[ . 1 . 2]" 2
301 1 52 LEU MD1 1 53 ARG H 4.200 . 5.900 4.464 3.809 4.933 . 0 0 "[ . 1 . 2]" 2
302 1 52 LEU H 1 53 ARG HA 4.400 2.600 6.200 5.075 4.770 5.377 . 0 0 "[ . 1 . 2]" 2
303 1 52 LEU H 1 53 ARG H 2.900 . 4.100 2.412 2.095 2.877 . 0 0 "[ . 1 . 2]" 2
304 1 52 LEU QB 1 54 GLN H 3.700 . 4.600 4.322 4.032 4.681 0.081 18 0 "[ . 1 . 2]" 2
305 1 52 LEU H 1 54 GLN H 3.900 2.400 5.400 3.926 3.552 4.770 . 0 0 "[ . 1 . 2]" 2
306 1 53 ARG H 1 54 GLN QG 4.200 . 5.900 5.413 4.374 6.383 0.483 11 0 "[ . 1 . 2]" 2
307 1 53 ARG H 1 54 GLN H 3.000 . 4.200 2.803 2.456 3.276 . 0 0 "[ . 1 . 2]" 2
308 1 53 ARG H 1 55 GLY H 4.300 2.600 6.000 4.032 3.732 4.818 . 0 0 "[ . 1 . 2]" 2
309 1 54 GLN H 1 54 GLN QG 3.100 . 3.800 3.024 1.746 3.934 0.134 16 0 "[ . 1 . 2]" 2
310 1 54 GLN QG 1 55 GLY H 3.900 . 5.400 4.554 4.111 4.830 . 0 0 "[ . 1 . 2]" 2
311 1 54 GLN H 1 55 GLY H 2.700 . 3.800 2.914 2.814 3.010 . 0 0 "[ . 1 . 2]" 2
312 1 55 GLY HA3 1 56 PHE H 3.600 2.200 5.000 3.224 2.922 3.384 . 0 0 "[ . 1 . 2]" 2
313 1 55 GLY HA2 1 56 PHE H 2.800 . 3.900 3.448 3.323 3.606 . 0 0 "[ . 1 . 2]" 2
314 1 55 GLY H 1 56 PHE QB 4.600 . 6.400 4.991 4.770 5.191 . 0 0 "[ . 1 . 2]" 2
315 1 56 PHE H 1 56 PHE QB 2.800 . 3.900 2.455 2.158 2.735 . 0 0 "[ . 1 . 2]" 2
316 1 56 PHE HA 1 57 THR H 3.200 . 4.500 2.774 2.182 3.482 . 0 0 "[ . 1 . 2]" 2
317 1 56 PHE QB 1 57 THR H 3.800 . 5.300 2.408 1.439 3.759 . 0 0 "[ . 1 . 2]" 2
318 1 56 PHE H 1 57 THR H 4.100 2.500 5.700 4.291 2.933 4.632 . 0 0 "[ . 1 . 2]" 2
319 1 56 PHE HA 1 58 HIS H 3.500 2.100 4.900 4.699 3.771 5.287 0.387 18 0 "[ . 1 . 2]" 2
320 1 57 THR H 1 57 THR MG 3.200 . 4.500 2.804 1.842 4.108 . 0 0 "[ . 1 . 2]" 2
321 1 57 THR HA 1 58 HIS H 3.800 2.300 5.300 3.582 3.553 3.609 . 0 0 "[ . 1 . 2]" 2
322 1 57 THR H 1 58 HIS H 2.700 . 3.800 2.490 1.877 3.551 . 0 0 "[ . 1 . 2]" 2
323 1 58 HIS H 1 58 HIS QB 3.400 . 4.300 3.002 2.734 3.443 . 0 0 "[ . 1 . 2]" 2
324 1 58 HIS H 1 59 ALA MB 4.000 . 5.600 4.461 4.302 4.789 . 0 0 "[ . 1 . 2]" 2
325 1 58 HIS H 1 59 ALA H 3.600 2.200 5.000 4.348 4.304 4.518 . 0 0 "[ . 1 . 2]" 2
326 1 59 ALA H 1 60 PHE H 4.200 2.500 5.900 4.408 4.077 4.435 . 0 0 "[ . 1 . 2]" 2
327 1 60 PHE QB 1 61 SER H 3.400 . 4.800 3.224 3.087 3.720 . 0 0 "[ . 1 . 2]" 2
328 1 60 PHE H 1 61 SER H 4.400 2.700 6.100 4.316 4.283 4.547 . 0 0 "[ . 1 . 2]" 2
329 1 62 MET H 1 62 MET QB 3.600 . 5.000 2.479 2.338 2.624 . 0 0 "[ . 1 . 2]" 2
330 1 62 MET H 1 62 MET QG 4.100 . 5.700 2.588 2.240 3.168 . 0 0 "[ . 1 . 2]" 2
331 1 62 MET HA 1 63 THR H 2.800 . 3.900 2.129 2.122 2.156 . 0 0 "[ . 1 . 2]" 2
332 1 62 MET QB 1 63 THR H 3.500 . 4.900 3.279 3.044 3.501 . 0 0 "[ . 1 . 2]" 2
333 1 63 THR H 1 63 THR HB 3.200 . 4.500 2.635 2.552 2.707 . 0 0 "[ . 1 . 2]" 2
334 1 63 THR HB 1 64 PHE H 3.700 2.200 5.200 4.048 3.956 4.149 . 0 0 "[ . 1 . 2]" 2
335 1 63 THR H 1 64 PHE HA 3.800 2.300 5.300 4.780 4.736 4.869 . 0 0 "[ . 1 . 2]" 2
336 1 63 THR H 1 64 PHE H 4.500 2.700 6.300 4.455 4.434 4.477 . 0 0 "[ . 1 . 2]" 2
337 1 64 PHE HA 1 65 GLU H 2.900 . 4.100 2.335 2.218 2.449 . 0 0 "[ . 1 . 2]" 2
338 1 64 PHE QB 1 65 GLU H 3.700 . 5.200 2.880 2.508 3.397 . 0 0 "[ . 1 . 2]" 2
339 1 64 PHE H 1 65 GLU HA 4.400 2.700 6.100 5.028 4.944 5.130 . 0 0 "[ . 1 . 2]" 2
340 1 64 PHE HA 1 66 ASN H 3.000 . 4.200 3.878 3.486 4.124 . 0 0 "[ . 1 . 2]" 2
341 1 64 PHE QB 1 66 ASN H 3.000 . 4.200 2.579 2.455 2.776 . 0 0 "[ . 1 . 2]" 2
342 1 65 GLU H 1 65 GLU QG 3.400 . 4.800 3.738 2.170 4.108 . 0 0 "[ . 1 . 2]" 2
343 1 65 GLU HA 1 66 ASN H 2.900 . 4.100 3.471 3.440 3.494 . 0 0 "[ . 1 . 2]" 2
344 1 65 GLU QG 1 66 ASN H 3.500 . 4.900 3.929 2.580 4.436 . 0 0 "[ . 1 . 2]" 2
345 1 65 GLU H 1 66 ASN H 2.800 . 3.900 2.426 2.185 2.715 . 0 0 "[ . 1 . 2]" 2
346 1 66 ASN H 1 66 ASN QB 3.700 . 5.200 3.002 2.792 3.388 . 0 0 "[ . 1 . 2]" 2
347 1 66 ASN HA 1 67 LYS H 3.400 2.100 4.700 2.502 2.396 2.675 . 0 0 "[ . 1 . 2]" 2
348 1 66 ASN QB 1 67 LYS H 3.600 . 4.900 2.685 2.159 3.327 . 0 0 "[ . 1 . 2]" 2
349 1 66 ASN QB 1 68 ASP H 3.600 . 4.500 2.677 2.496 3.124 . 0 0 "[ . 1 . 2]" 2
350 1 66 ASN H 1 70 TYR H 3.600 2.200 5.000 4.718 4.138 5.155 0.155 14 0 "[ . 1 . 2]" 2
351 1 67 LYS H 1 67 LYS QB 3.400 . 4.800 2.442 2.207 2.563 . 0 0 "[ . 1 . 2]" 2
352 1 67 LYS QB 1 68 ASP H 2.900 . 4.100 3.170 2.869 3.709 . 0 0 "[ . 1 . 2]" 2
353 1 67 LYS QG 1 68 ASP H 4.300 . 6.000 3.636 2.222 4.262 . 0 0 "[ . 1 . 2]" 2
354 1 67 LYS H 1 68 ASP H 3.300 . 4.600 2.781 2.666 2.838 . 0 0 "[ . 1 . 2]" 2
355 1 67 LYS QB 1 70 TYR H 4.000 . 5.600 4.517 4.356 4.739 . 0 0 "[ . 1 . 2]" 2
356 1 68 ASP H 1 68 ASP HA 2.700 . 3.800 2.833 2.811 2.857 . 0 0 "[ . 1 . 2]" 2
357 1 68 ASP H 1 68 ASP QB 2.400 . 3.400 2.381 2.282 2.472 . 0 0 "[ . 1 . 2]" 2
358 1 68 ASP QB 1 69 GLY H 2.800 . 3.900 2.740 2.500 3.473 . 0 0 "[ . 1 . 2]" 2
359 1 68 ASP H 1 70 TYR H 3.500 2.100 4.900 4.096 3.951 4.245 . 0 0 "[ . 1 . 2]" 2
360 1 68 ASP H 1 71 VAL QG 3.900 . 5.500 4.067 3.965 4.172 . 0 0 "[ . 1 . 2]" 2
361 1 69 GLY HA2 1 70 TYR H 3.700 2.200 5.200 3.517 3.494 3.543 . 0 0 "[ . 1 . 2]" 2
362 1 69 GLY H 1 70 TYR QB 3.700 . 5.200 4.300 4.210 4.347 . 0 0 "[ . 1 . 2]" 2
363 1 69 GLY H 1 70 TYR H 2.900 . 4.100 2.519 2.423 2.578 . 0 0 "[ . 1 . 2]" 2
364 1 69 GLY H 1 71 VAL H 3.500 2.100 4.900 4.329 4.283 4.400 . 0 0 "[ . 1 . 2]" 2
365 1 69 GLY HA3 1 72 ALA H 3.300 . 4.600 4.584 4.498 4.644 0.044 14 0 "[ . 1 . 2]" 2
366 1 69 GLY H 1 72 ALA MB 3.300 . 4.600 4.532 4.430 4.702 0.102 17 0 "[ . 1 . 2]" 2
367 1 69 GLY HA2 1 73 PHE H 3.400 . 4.800 3.891 3.795 4.031 . 0 0 "[ . 1 . 2]" 2
368 1 70 TYR QB 1 71 VAL H 3.200 . 4.500 2.554 2.508 2.650 . 0 0 "[ . 1 . 2]" 2
369 1 70 TYR H 1 71 VAL QG 3.800 . 5.300 3.674 3.620 3.742 . 0 0 "[ . 1 . 2]" 2
370 1 70 TYR H 1 71 VAL H 3.100 . 4.300 2.795 2.730 2.874 . 0 0 "[ . 1 . 2]" 2
371 1 70 TYR QB 1 72 ALA H 4.000 . 5.600 4.518 4.484 4.583 . 0 0 "[ . 1 . 2]" 2
372 1 70 TYR H 1 72 ALA H 3.800 2.300 5.300 3.901 3.852 3.936 . 0 0 "[ . 1 . 2]" 2
373 1 70 TYR H 1 73 PHE H 3.200 . 4.500 4.965 4.930 5.021 0.521 17 2 "[ . 1- . + 2]" 2
374 1 71 VAL HB 1 72 ALA H 2.800 . 3.900 3.975 3.974 3.976 0.076 2 0 "[ . 1 . 2]" 2
375 1 71 VAL H 1 72 ALA MB 3.500 . 4.900 4.182 4.181 4.183 . 0 0 "[ . 1 . 2]" 2
376 1 71 VAL H 1 72 ALA H 2.900 . 4.100 2.494 2.493 2.495 . 0 0 "[ . 1 . 2]" 2
377 1 72 ALA H 1 73 PHE H 2.900 . 4.100 2.861 2.853 2.875 . 0 0 "[ . 1 . 2]" 2
378 1 72 ALA H 1 74 THR MG 4.000 . 5.600 3.967 3.836 4.683 . 0 0 "[ . 1 . 2]" 2
379 1 72 ALA H 1 74 THR H 3.500 2.100 4.900 4.175 3.911 4.533 . 0 0 "[ . 1 . 2]" 2
380 1 72 ALA MB 1 75 SER H 3.900 . 5.500 4.589 4.341 4.810 . 0 0 "[ . 1 . 2]" 2
381 1 73 PHE H 1 73 PHE QB 2.700 . 3.800 2.198 2.047 2.777 . 0 0 "[ . 1 . 2]" 2
382 1 73 PHE HA 1 74 THR H 3.600 2.200 5.000 3.578 3.547 3.612 . 0 0 "[ . 1 . 2]" 2
383 1 73 PHE QB 1 74 THR H 3.000 . 4.200 2.897 2.369 3.255 . 0 0 "[ . 1 . 2]" 2
384 1 73 PHE H 1 74 THR H 3.000 . 4.200 2.930 2.800 3.076 . 0 0 "[ . 1 . 2]" 2
385 1 73 PHE H 1 75 SER QB 4.400 . 6.200 5.256 4.894 5.728 . 0 0 "[ . 1 . 2]" 2
386 1 74 THR H 1 74 THR MG 2.600 . 3.700 1.888 1.630 2.377 . 0 0 "[ . 1 . 2]" 2
387 1 74 THR MG 1 75 SER H 3.100 . 4.300 2.305 1.784 3.808 . 0 0 "[ . 1 . 2]" 2
388 1 74 THR H 1 75 SER H 2.700 . 3.800 2.541 2.377 2.889 . 0 0 "[ . 1 . 2]" 2
389 1 74 THR HA 1 76 HIS H 4.200 2.500 5.900 3.926 3.157 4.271 . 0 0 "[ . 1 . 2]" 2
390 1 75 SER QB 1 76 HIS H 3.500 . 4.900 3.202 2.714 4.000 . 0 0 "[ . 1 . 2]" 2
391 1 75 SER H 1 76 HIS QB 3.600 . 5.100 4.669 4.435 5.091 . 0 0 "[ . 1 . 2]" 2
392 1 75 SER H 1 76 HIS H 2.700 . 3.800 2.729 2.554 3.031 . 0 0 "[ . 1 . 2]" 2
393 1 76 HIS H 1 77 PRO QD 3.600 . 4.900 4.352 4.251 4.424 . 0 0 "[ . 1 . 2]" 2
394 1 76 HIS QB 1 78 LEU H 4.300 . 6.000 2.449 2.278 2.748 . 0 0 "[ . 1 . 2]" 2
395 1 76 HIS H 1 78 LEU H 3.900 2.300 5.500 4.638 4.401 5.113 . 0 0 "[ . 1 . 2]" 2
396 1 76 HIS QB 1 79 HIS H 3.700 . 5.200 3.685 3.247 4.697 . 0 0 "[ . 1 . 2]" 2
397 1 76 HIS H 1 79 HIS QB 3.600 . 5.100 4.351 3.728 5.187 0.087 20 0 "[ . 1 . 2]" 2
398 1 77 PRO QD 1 78 LEU H 4.000 . 5.200 3.138 2.638 3.399 . 0 0 "[ . 1 . 2]" 2
399 1 78 LEU QB 1 79 HIS H 3.700 . 5.200 2.787 2.667 2.868 . 0 0 "[ . 1 . 2]" 2
400 1 78 LEU H 1 79 HIS QB 4.300 . 6.000 4.409 4.338 4.525 . 0 0 "[ . 1 . 2]" 2
401 1 78 LEU H 1 79 HIS H 2.900 . 4.000 2.598 2.531 2.707 . 0 0 "[ . 1 . 2]" 2
402 1 78 LEU H 1 80 VAL H 4.000 2.400 5.600 4.265 4.050 4.449 . 0 0 "[ . 1 . 2]" 2
403 1 79 HIS H 1 79 HIS QB 3.200 . 4.000 2.285 2.222 2.313 . 0 0 "[ . 1 . 2]" 2
404 1 79 HIS QB 1 80 VAL H 3.800 . 5.200 2.618 2.449 2.822 . 0 0 "[ . 1 . 2]" 2
405 1 79 HIS H 1 80 VAL H 3.100 . 4.300 2.470 2.388 2.563 . 0 0 "[ . 1 . 2]" 2
406 1 80 VAL MG2 1 81 GLU H 2.700 . 3.800 3.385 2.848 3.810 0.010 14 0 "[ . 1 . 2]" 2
407 1 80 VAL H 1 81 GLU H 2.900 . 4.100 2.910 2.780 2.974 . 0 0 "[ . 1 . 2]" 2
408 1 80 VAL MG2 1 83 SER H 4.200 . 5.900 4.786 4.155 5.153 . 0 0 "[ . 1 . 2]" 2
409 1 81 GLU H 1 81 GLU QB 2.200 . 3.100 2.344 2.248 2.535 . 0 0 "[ . 1 . 2]" 2
410 1 81 GLU H 1 81 GLU QG 3.100 . 4.300 3.142 1.954 4.076 . 0 0 "[ . 1 . 2]" 2
411 1 81 GLU QB 1 82 PHE H 2.800 . 3.900 2.617 2.488 3.405 . 0 0 "[ . 1 . 2]" 2
412 1 81 GLU H 1 82 PHE QB 4.200 . 5.900 4.604 4.527 4.712 . 0 0 "[ . 1 . 2]" 2
413 1 81 GLU H 1 82 PHE H 2.800 . 3.900 2.790 2.732 2.854 . 0 0 "[ . 1 . 2]" 2
414 1 81 GLU HA 1 83 SER H 3.300 . 4.600 4.452 4.069 4.643 0.043 14 0 "[ . 1 . 2]" 2
415 1 81 GLU QB 1 83 SER H 4.000 . 5.600 4.741 4.590 5.221 . 0 0 "[ . 1 . 2]" 2
416 1 81 GLU H 1 83 SER H 4.400 2.600 6.200 4.209 4.052 4.316 . 0 0 "[ . 1 . 2]" 2
417 1 82 PHE H 1 83 SER QB 4.100 . 5.700 4.552 4.287 4.942 . 0 0 "[ . 1 . 2]" 2
418 1 82 PHE H 1 83 SER H 2.900 . 4.100 2.612 2.511 2.778 . 0 0 "[ . 1 . 2]" 2
419 1 83 SER H 1 84 ALA MB 3.800 . 5.300 4.451 4.374 4.487 . 0 0 "[ . 1 . 2]" 2
420 1 83 SER H 1 84 ALA H 3.100 . 4.300 2.759 2.657 2.808 . 0 0 "[ . 1 . 2]" 2
421 1 83 SER H 1 85 ALA MB 4.400 . 6.200 5.084 4.783 5.389 . 0 0 "[ . 1 . 2]" 2
422 1 83 SER H 1 85 ALA H 3.500 2.100 4.900 4.357 4.049 4.621 . 0 0 "[ . 1 . 2]" 2
423 1 83 SER HA 1 87 THR H 3.800 2.300 5.300 4.433 4.183 4.833 . 0 0 "[ . 1 . 2]" 2
424 1 84 ALA H 1 85 ALA MB 3.300 . 4.600 4.425 4.339 4.508 . 0 0 "[ . 1 . 2]" 2
425 1 84 ALA H 1 85 ALA H 2.700 . 3.800 2.738 2.641 2.824 . 0 0 "[ . 1 . 2]" 2
426 1 84 ALA H 1 86 PHE H 3.900 2.300 5.500 4.019 3.850 4.221 . 0 0 "[ . 1 . 2]" 2
427 1 85 ALA H 1 86 PHE QB 4.000 . 5.200 4.302 4.093 4.389 . 0 0 "[ . 1 . 2]" 2
428 1 85 ALA H 1 86 PHE H 2.900 . 4.100 2.573 2.423 2.640 . 0 0 "[ . 1 . 2]" 2
429 1 86 PHE H 1 86 PHE QB 3.400 . 4.700 2.224 2.129 2.296 . 0 0 "[ . 1 . 2]" 2
430 1 86 PHE HA 1 89 VAL H 3.700 2.200 5.200 3.906 3.824 4.113 . 0 0 "[ . 1 . 2]" 2
431 1 87 THR H 1 87 THR MG 3.100 . 4.300 3.507 1.684 3.802 . 0 0 "[ . 1 . 2]" 2
432 1 87 THR H 1 88 ALA H 3.100 . 4.300 2.610 2.554 2.669 . 0 0 "[ . 1 . 2]" 2
433 1 87 THR HB 1 89 VAL H 4.400 2.700 6.100 4.541 4.322 5.202 . 0 0 "[ . 1 . 2]" 2
434 1 87 THR HB 1 90 ILE H 3.400 . 4.800 5.013 4.842 5.263 0.463 7 0 "[ . 1 . 2]" 2
435 1 89 VAL HA 1 90 ILE H 3.700 2.200 5.200 3.239 3.161 3.397 . 0 0 "[ . 1 . 2]" 2
436 1 89 VAL HB 1 90 ILE H 3.800 2.300 5.300 4.450 4.305 4.511 . 0 0 "[ . 1 . 2]" 2
437 1 89 VAL H 1 90 ILE MG 3.800 . 5.300 5.443 5.018 5.665 0.365 11 0 "[ . 1 . 2]" 2
438 1 89 VAL H 1 90 ILE H 2.500 . 3.500 2.434 1.975 2.705 . 0 0 "[ . 1 . 2]" 2
439 1 90 ILE H 1 90 ILE MG 3.000 . 4.200 3.735 3.406 3.852 . 0 0 "[ . 1 . 2]" 2
440 1 90 ILE MG 1 91 ASP H 3.400 . 4.700 1.763 1.641 1.993 . 0 0 "[ . 1 . 2]" 2
441 1 90 ILE H 1 91 ASP HA 4.100 2.400 5.800 4.967 4.895 5.031 . 0 0 "[ . 1 . 2]" 2
442 1 90 ILE H 1 91 ASP H 4.300 2.600 6.000 4.487 4.468 4.506 . 0 0 "[ . 1 . 2]" 2
443 1 90 ILE HA 1 92 LYS H 3.500 2.100 4.900 4.065 3.936 4.211 . 0 0 "[ . 1 . 2]" 2
444 1 90 ILE MG 1 92 LYS H 3.200 . 4.500 1.859 1.709 2.071 . 0 0 "[ . 1 . 2]" 2
445 1 90 ILE MG 1 93 ILE H 3.400 . 4.800 3.872 3.744 4.009 . 0 0 "[ . 1 . 2]" 2
446 1 91 ASP H 1 91 ASP HA 2.900 . 4.100 2.989 2.978 3.000 . 0 0 "[ . 1 . 2]" 2
447 1 91 ASP HA 1 92 LYS H 3.000 . 4.200 3.498 3.453 3.515 . 0 0 "[ . 1 . 2]" 2
448 1 91 ASP H 1 92 LYS QB 3.600 . 5.000 4.467 3.881 4.695 . 0 0 "[ . 1 . 2]" 2
449 1 91 ASP H 1 92 LYS H 2.900 . 4.000 1.960 1.747 2.094 0.053 6 0 "[ . 1 . 2]" 2
450 1 92 LYS H 1 92 LYS QB 3.400 . 3.800 2.881 2.413 3.058 . 0 0 "[ . 1 . 2]" 2
451 1 92 LYS H 1 92 LYS QG 3.400 . 4.600 2.699 2.288 3.804 . 0 0 "[ . 1 . 2]" 2
452 1 92 LYS H 1 93 ILE H 3.900 2.300 5.500 4.369 4.327 4.392 . 0 0 "[ . 1 . 2]" 2
453 1 93 ILE H 1 94 VAL H 4.000 2.400 5.600 4.306 4.251 4.352 . 0 0 "[ . 1 . 2]" 2
454 1 94 VAL H 1 94 VAL MG1 3.100 . 4.300 3.793 2.161 3.954 . 0 0 "[ . 1 . 2]" 2
455 1 94 VAL H 1 95 LEU H 4.300 2.600 6.000 4.407 4.396 4.419 . 0 0 "[ . 1 . 2]" 2
456 1 95 LEU H 1 96 LEU HA 4.400 2.700 6.100 4.880 4.844 4.937 . 0 0 "[ . 1 . 2]" 2
457 1 95 LEU H 1 96 LEU H 4.200 2.500 5.900 4.363 4.337 4.394 . 0 0 "[ . 1 . 2]" 2
458 1 96 LEU H 1 96 LEU HG 2.600 . 3.600 3.110 2.716 3.590 . 0 0 "[ . 1 . 2]" 2
459 1 96 LEU HA 1 97 ASP H 2.800 . 3.900 2.223 2.220 2.233 . 0 0 "[ . 1 . 2]" 2
460 1 96 LEU QB 1 97 ASP H 3.300 . 4.600 3.332 3.214 3.412 . 0 0 "[ . 1 . 2]" 2
461 1 96 LEU MD1 1 97 ASP H 3.400 . 4.800 4.897 4.776 5.031 0.231 5 0 "[ . 1 . 2]" 2
462 1 96 LEU H 1 97 ASP H 3.400 . 4.800 4.344 4.307 4.383 . 0 0 "[ . 1 . 2]" 2
463 1 97 ASP H 1 97 ASP QB 3.100 . 4.300 2.670 2.476 3.083 . 0 0 "[ . 1 . 2]" 2
464 1 97 ASP H 1 98 PHE H 3.500 2.100 4.900 4.371 4.323 4.408 . 0 0 "[ . 1 . 2]" 2
465 1 98 PHE H 1 98 PHE QB 3.400 . 4.700 2.916 2.633 3.403 . 0 0 "[ . 1 . 2]" 2
466 1 98 PHE H 1 99 PRO QD 3.600 . 5.100 4.160 3.981 4.371 . 0 0 "[ . 1 . 2]" 2
467 1 98 PHE H 1 100 VAL QG 3.300 . 4.600 4.240 3.824 4.866 0.266 4 0 "[ . 1 . 2]" 2
468 1 99 PRO HA 1 100 VAL H 2.800 . 3.900 2.233 2.223 2.272 . 0 0 "[ . 1 . 2]" 2
469 1 99 PRO QG 1 100 VAL H 4.300 . 6.000 4.720 4.570 4.830 . 0 0 "[ . 1 . 2]" 2
470 1 99 PRO QB 1 101 ALA H 3.800 . 5.300 5.206 4.561 5.569 0.269 9 0 "[ . 1 . 2]" 2
471 1 100 VAL H 1 100 VAL QG 2.600 . 3.600 2.435 1.685 2.972 . 0 0 "[ . 1 . 2]" 2
472 1 100 VAL HA 1 101 ALA H 2.500 . 3.500 2.214 2.184 2.260 . 0 0 "[ . 1 . 2]" 2
473 1 100 VAL HB 1 101 ALA H 3.200 . 4.500 4.134 3.056 4.382 . 0 0 "[ . 1 . 2]" 2
474 1 100 VAL QG 1 101 ALA H 2.300 . 3.200 2.568 2.142 3.399 0.199 5 0 "[ . 1 . 2]" 2
475 1 100 VAL H 1 101 ALA H 3.300 . 4.600 4.475 4.372 4.536 . 0 0 "[ . 1 . 2]" 2
476 1 101 ALA H 1 102 ALA H 3.300 . 4.600 3.910 3.493 4.261 . 0 0 "[ . 1 . 2]" 2
477 1 102 ALA H 1 103 VAL MG2 3.900 . 5.400 4.348 3.464 4.874 . 0 0 "[ . 1 . 2]" 2
478 1 102 ALA H 1 103 VAL H 2.900 . 4.000 4.058 3.846 4.361 0.361 17 0 "[ . 1 . 2]" 2
479 1 103 VAL H 1 103 VAL HB 2.800 . 3.900 3.918 3.800 3.967 0.067 16 0 "[ . 1 . 2]" 2
480 1 103 VAL H 1 103 VAL MG2 2.600 . 3.700 2.206 1.885 2.398 . 0 0 "[ . 1 . 2]" 2
481 1 103 VAL HA 1 104 LYS H 2.600 . 3.600 2.800 2.185 3.585 . 0 0 "[ . 1 . 2]" 2
482 1 103 VAL HB 1 104 LYS H 2.700 . 3.800 3.785 2.900 4.205 0.405 10 0 "[ . 1 . 2]" 2
483 1 103 VAL MG2 1 104 LYS H 2.700 . 3.800 3.218 1.689 4.206 0.406 6 0 "[ . 1 . 2]" 2
484 1 103 VAL H 1 104 LYS QD 3.700 . 5.200 3.786 2.909 5.338 0.138 19 0 "[ . 1 . 2]" 2
485 1 103 VAL H 1 104 LYS QG 2.900 . 4.000 3.368 2.644 4.155 0.155 4 0 "[ . 1 . 2]" 2
486 1 103 VAL H 1 104 LYS H 2.800 . 3.900 2.884 1.546 4.335 0.435 15 0 "[ . 1 . 2]" 2
487 1 103 VAL MG2 1 105 SER H 4.300 . 6.000 4.827 3.247 6.376 0.376 9 0 "[ . 1 . 2]" 2
488 1 103 VAL H 1 105 SER H 4.200 2.500 5.900 5.662 3.522 6.703 0.803 14 3 "[ . *- +. 2]" 2
489 1 104 LYS H 1 104 LYS HA 2.700 . 3.800 2.729 2.349 2.994 . 0 0 "[ . 1 . 2]" 2
490 1 104 LYS H 1 104 LYS QB 2.800 . 3.900 2.912 2.500 3.425 . 0 0 "[ . 1 . 2]" 2
491 1 104 LYS H 1 104 LYS QG 3.200 2.200 4.500 2.636 1.776 3.561 0.424 1 0 "[ . 1 . 2]" 2
492 1 104 LYS HA 1 105 SER H 2.800 . 3.900 3.025 2.205 3.533 . 0 0 "[ . 1 . 2]" 2
493 1 104 LYS QB 1 105 SER H 4.100 . 5.700 2.739 1.658 3.918 . 0 0 "[ . 1 . 2]" 2
494 1 104 LYS QG 1 105 SER H 3.900 . 5.500 3.981 1.781 4.619 . 0 0 "[ . 1 . 2]" 2
495 1 104 LYS HA 1 106 SER H 2.700 . 3.800 3.552 2.763 4.426 0.626 14 1 "[ . 1 +. 2]" 2
496 1 104 LYS H 1 106 SER QB 4.100 . 5.700 5.494 4.520 6.666 0.966 17 1 "[ . 1 . + 2]" 2
497 1 105 SER H 1 105 SER QB 3.300 . 4.600 3.089 2.266 3.531 . 0 0 "[ . 1 . 2]" 2
498 1 105 SER QB 1 106 SER H 2.700 . 3.800 2.931 1.773 3.952 0.152 1 0 "[ . 1 . 2]" 2
499 1 106 SER HA 1 107 VAL H 2.200 . 3.100 2.587 2.175 3.546 0.446 17 0 "[ . 1 . 2]" 2
500 1 106 SER QB 1 107 VAL H 2.700 . 3.800 3.518 1.763 4.075 0.275 10 0 "[ . 1 . 2]" 2
501 1 106 SER H 1 107 VAL H 3.300 . 4.600 3.657 2.174 4.677 0.077 11 0 "[ . 1 . 2]" 2
502 1 107 VAL H 1 107 VAL HA 2.700 . 3.800 2.869 2.352 2.994 . 0 0 "[ . 1 . 2]" 2
503 1 107 VAL H 1 107 VAL HB 2.400 . 3.400 3.001 2.408 3.586 0.186 15 0 "[ . 1 . 2]" 2
504 1 108 VAL H 1 108 VAL HA 2.100 . 2.900 2.898 2.389 2.994 0.094 17 0 "[ . 1 . 2]" 2
505 1 108 VAL H 1 108 VAL HB 2.400 . 3.400 3.211 2.329 3.750 0.350 13 0 "[ . 1 . 2]" 2
506 1 108 VAL H 1 108 VAL MG1 2.400 . 3.400 2.493 2.004 3.848 0.448 3 0 "[ . 1 . 2]" 2
507 1 108 VAL HA 1 109 ALA H 2.300 . 3.200 2.504 2.184 3.423 0.223 12 0 "[ . 1 . 2]" 2
508 1 108 VAL HB 1 109 ALA H 3.400 2.100 4.700 4.268 3.280 4.676 . 0 0 "[ . 1 . 2]" 2
509 1 108 VAL MG1 1 109 ALA H 3.100 . 4.400 3.508 1.613 4.369 . 0 0 "[ . 1 . 2]" 2
510 1 108 VAL MG1 1 110 THR H 4.000 . 5.600 4.635 3.578 5.741 0.141 16 0 "[ . 1 . 2]" 2
511 1 109 ALA H 1 109 ALA HA 3.000 . 4.200 2.908 2.808 2.988 . 0 0 "[ . 1 . 2]" 2
512 1 109 ALA H 1 109 ALA MB 2.700 . 3.800 2.317 2.207 2.578 . 0 0 "[ . 1 . 2]" 2
513 1 109 ALA HA 1 110 THR H 2.400 . 3.300 2.347 2.212 2.662 . 0 0 "[ . 1 . 2]" 2
514 1 109 ALA MB 1 110 THR H 3.700 . 5.200 3.035 2.172 3.708 . 0 0 "[ . 1 . 2]" 2
515 1 4 SER QB 1 102 ALA H 4.100 2.500 5.700 2.499 2.197 3.013 0.303 4 0 "[ . 1 . 2]" 2
516 1 9 LEU MD1 1 61 SER H 4.300 2.600 6.000 4.421 4.089 4.674 . 0 0 "[ . 1 . 2]" 2
517 1 42 TRP H 1 60 PHE QB 4.200 2.500 5.900 4.462 3.992 5.266 . 0 0 "[ . 1 . 2]" 2
518 1 44 GLU H 1 59 ALA MB 4.400 2.600 6.200 4.166 3.606 4.555 . 0 0 "[ . 1 . 2]" 2
519 1 52 LEU QB 1 53 ARG H 3.600 2.200 4.700 2.560 1.855 3.214 0.345 5 0 "[ . 1 . 2]" 2
520 1 52 LEU MD2 1 54 GLN H 4.400 2.600 6.200 5.070 4.912 5.252 . 0 0 "[ . 1 . 2]" 2
521 1 53 ARG H 1 54 GLN HA 4.100 2.500 5.700 4.969 4.618 5.201 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 742
_Distance_constraint_stats_list.Viol_count 1493
_Distance_constraint_stats_list.Viol_total 6059.114
_Distance_constraint_stats_list.Viol_max 1.247
_Distance_constraint_stats_list.Viol_rms 0.0781
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0204
_Distance_constraint_stats_list.Viol_average_violations_only 0.2029
_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
2 2 ALA 1.081 0.383 12 0 "[ . 1 . 2]"
2 3 THR 3.375 0.383 12 0 "[ . 1 . 2]"
2 4 SER 9.170 0.382 4 0 "[ . 1 . 2]"
2 5 GLY 11.441 0.712 4 2 "[ +. - 1 . 2]"
2 6 PHE 12.301 0.602 13 3 "[ . 1- + . * 2]"
2 7 LYS 9.343 0.661 15 6 "[ ** 1 *-+ *2]"
2 8 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 14.540 0.652 3 6 "[ + . * 1 .* *-*]"
2 10 VAL 4.596 0.442 15 0 "[ . 1 . 2]"
2 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 VAL 3.474 0.331 19 0 "[ . 1 . 2]"
2 13 LYS 1.940 0.343 5 0 "[ . 1 . 2]"
2 14 PHE 9.431 0.726 13 2 "[ .- 1 + . 2]"
2 15 LYS 10.524 1.186 12 1 "[ . 1 + . 2]"
2 16 GLU 1.819 0.443 12 0 "[ . 1 . 2]"
2 17 ASP 2.031 0.436 12 0 "[ . 1 . 2]"
2 18 THR 20.954 0.746 12 1 "[ . 1 + . 2]"
2 19 LYS 7.839 0.409 9 0 "[ . 1 . 2]"
2 20 VAL 7.754 0.402 17 0 "[ . 1 . 2]"
2 21 ASP 19.761 0.643 3 1 "[ + . 1 . 2]"
2 22 GLU 14.491 0.435 12 0 "[ . 1 . 2]"
2 23 ILE 15.279 0.643 3 1 "[ + . 1 . 2]"
2 24 LEU 11.402 0.452 11 0 "[ . 1 . 2]"
2 25 LYS 4.504 0.245 4 0 "[ . 1 . 2]"
2 26 GLY 5.394 0.388 15 0 "[ . 1 . 2]"
2 27 LEU 4.895 0.490 3 0 "[ . 1 . 2]"
2 28 GLU 1.128 0.203 2 0 "[ . 1 . 2]"
2 29 ASN 2.324 0.490 3 0 "[ . 1 . 2]"
2 30 LEU 1.654 0.205 2 0 "[ . 1 . 2]"
2 31 VAL 11.625 0.435 9 0 "[ . 1 . 2]"
2 32 SER 5.417 0.424 1 0 "[ . 1 . 2]"
2 33 GLN 7.499 0.435 9 0 "[ . 1 . 2]"
2 34 ILE 12.628 0.451 20 0 "[ . 1 . 2]"
2 35 ASP 4.549 0.384 3 0 "[ . 1 . 2]"
2 36 THR 4.313 0.447 7 0 "[ . 1 . 2]"
2 37 VAL 5.784 0.364 10 0 "[ . 1 . 2]"
2 38 LYS 7.290 0.575 7 3 "[ . + 1 * . - 2]"
2 39 SER 4.455 0.364 10 0 "[ . 1 . 2]"
2 40 PHE 5.439 0.377 17 0 "[ . 1 . 2]"
2 41 GLU 19.181 0.546 20 2 "[ - . 1 . +]"
2 42 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 GLY 1.497 0.291 15 0 "[ . 1 . 2]"
2 44 GLU 16.923 1.247 7 4 "[ . + 1 . * -*]"
2 45 ASP 0.045 0.042 17 0 "[ . 1 . 2]"
2 46 LYS 9.216 0.949 20 3 "[ - . 1 * . +]"
2 47 GLU 4.046 0.949 20 2 "[ . 1 - . +]"
2 48 SER 0.147 0.090 11 0 "[ . 1 . 2]"
2 49 HIS 5.851 0.545 19 1 "[ . 1 . +2]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 MET 5.775 1.200 4 2 "[ +. 1- . 2]"
2 52 LEU 6.968 0.545 19 1 "[ . 1 . +2]"
2 53 ARG 1.937 0.484 11 0 "[ . 1 . 2]"
2 54 GLN 7.235 1.200 4 2 "[ +. 1- . 2]"
2 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 PHE 6.427 0.608 2 1 "[ + . 1 . 2]"
2 57 THR 0.596 0.343 5 0 "[ . 1 . 2]"
2 58 HIS 17.063 1.247 7 4 "[ . + 1 . * -*]"
2 59 ALA 5.244 0.546 20 2 "[ . - 1 . +]"
2 60 PHE 2.810 0.531 18 1 "[ . 1 . + 2]"
2 61 SER 2.779 0.230 2 0 "[ . 1 . 2]"
2 62 MET 7.745 0.546 20 2 "[ - . 1 . +]"
2 63 THR 8.981 0.413 10 0 "[ . 1 . 2]"
2 64 PHE 4.092 0.329 12 0 "[ . 1 . 2]"
2 65 GLU 5.199 0.575 7 3 "[ . + 1 * . - 2]"
2 66 ASN 9.197 0.602 13 3 "[ . 1- + . * 2]"
2 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 GLY 0.372 0.106 17 0 "[ . 1 . 2]"
2 70 TYR 9.696 0.525 17 2 "[ . 1- . + 2]"
2 71 VAL 1.491 0.076 10 0 "[ . 1 . 2]"
2 72 ALA 1.863 0.106 17 0 "[ . 1 . 2]"
2 73 PHE 9.486 0.525 17 2 "[ . 1- . + 2]"
2 74 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 SER 0.141 0.064 2 0 "[ . 1 . 2]"
2 76 HIS 0.089 0.089 20 0 "[ . 1 . 2]"
2 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 LEU 6.078 0.451 20 0 "[ . 1 . 2]"
2 79 HIS 0.089 0.089 20 0 "[ . 1 . 2]"
2 80 VAL 0.013 0.011 14 0 "[ . 1 . 2]"
2 81 GLU 0.983 0.108 18 0 "[ . 1 . 2]"
2 82 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 SER 0.106 0.044 14 0 "[ . 1 . 2]"
2 84 ALA 0.545 0.107 13 0 "[ . 1 . 2]"
2 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 THR 4.342 0.461 7 0 "[ . 1 . 2]"
2 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 VAL 4.039 0.362 11 0 "[ . 1 . 2]"
2 90 ILE 8.544 0.461 7 0 "[ . 1 . 2]"
2 91 ASP 2.967 1.186 12 1 "[ . 1 + . 2]"
2 92 LYS 2.537 0.726 13 2 "[ .- 1 + . 2]"
2 93 ILE 2.422 0.253 14 0 "[ . 1 . 2]"
2 94 VAL 6.991 0.400 16 0 "[ . 1 . 2]"
2 95 LEU 6.160 0.400 16 0 "[ . 1 . 2]"
2 96 LEU 11.441 0.652 3 6 "[ + . * 1 .* *-*]"
2 97 ASP 9.968 0.661 15 6 "[ ** 1 *-+ *2]"
2 98 PHE 5.879 0.472 19 0 "[ . 1 . 2]"
2 99 PRO 1.467 0.290 12 0 "[ . 1 . 2]"
2 100 VAL 3.875 0.712 4 2 "[ +. - 1 . 2]"
2 101 ALA 1.260 0.267 9 0 "[ . 1 . 2]"
2 102 ALA 3.668 0.360 17 0 "[ . 1 . 2]"
2 103 VAL 19.518 0.804 14 3 "[ . *- +. 2]"
2 104 LYS 13.387 0.965 17 2 "[ . 1 -. + 2]"
2 105 SER 4.208 0.804 14 3 "[ . *- +. 2]"
2 106 SER 7.299 0.965 17 2 "[ . 1 -. + 2]"
2 107 VAL 2.725 0.446 17 0 "[ . 1 . 2]"
2 108 VAL 3.235 0.447 3 0 "[ . 1 . 2]"
2 109 ALA 0.223 0.223 12 0 "[ . 1 . 2]"
2 110 THR 0.174 0.138 16 0 "[ . 1 . 2]"
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 2 2 ALA H 2 2 ALA HA 2.300 . 3.200 2.469 2.346 2.977 . 0 0 "[ . 1 . 2]" 3
2 2 2 ALA H 2 2 ALA MB 2.500 . 3.500 2.764 2.267 2.989 . 0 0 "[ . 1 . 2]" 3
3 2 2 ALA HA 2 3 THR H 2.300 . 3.200 2.655 2.197 3.583 0.383 12 0 "[ . 1 . 2]" 3
4 2 2 ALA MB 2 3 THR H 2.900 . 4.000 3.325 1.770 3.726 . 0 0 "[ . 1 . 2]" 3
5 2 2 ALA HA 2 4 SER H 3.100 . 4.400 3.475 2.963 4.634 0.234 16 0 "[ . 1 . 2]" 3
6 2 2 ALA H 2 99 PRO QB 3.100 . 4.300 3.090 1.773 4.590 0.290 12 0 "[ . 1 . 2]" 3
7 2 3 THR H 2 3 THR MG 3.100 . 4.300 2.503 1.851 3.919 . 0 0 "[ . 1 . 2]" 3
8 2 3 THR HB 2 4 SER H 2.900 . 4.000 3.853 2.411 4.306 0.306 8 0 "[ . 1 . 2]" 3
9 2 3 THR MG 2 4 SER H 3.100 . 4.300 2.343 1.646 2.863 . 0 0 "[ . 1 . 2]" 3
10 2 3 THR H 2 4 SER H 3.700 2.200 5.200 2.419 2.017 3.228 0.183 2 0 "[ . 1 . 2]" 3
11 2 3 THR MG 2 5 GLY H 3.400 . 4.700 4.098 2.944 4.884 0.184 13 0 "[ . 1 . 2]" 3
12 2 4 SER H 2 4 SER QB 2.800 . 3.900 2.852 2.403 3.418 . 0 0 "[ . 1 . 2]" 3
13 2 4 SER HA 2 5 GLY H 2.300 . 3.200 3.417 3.134 3.582 0.382 4 0 "[ . 1 . 2]" 3
14 2 4 SER QB 2 5 GLY H 2.600 . 3.600 1.715 1.614 2.117 . 0 0 "[ . 1 . 2]" 3
15 2 4 SER H 2 5 GLY H 2.800 . 3.900 3.367 2.795 3.959 0.059 12 0 "[ . 1 . 2]" 3
16 2 5 GLY H 2 5 GLY HA2 2.300 . 3.200 2.954 2.844 2.989 . 0 0 "[ . 1 . 2]" 3
17 2 5 GLY HA2 2 6 PHE H 2.600 . 3.600 2.552 2.251 2.868 . 0 0 "[ . 1 . 2]" 3
18 2 5 GLY H 2 100 VAL HB 3.500 2.700 4.900 4.005 2.838 5.612 0.712 4 2 "[ +. - 1 . 2]" 3
19 2 5 GLY H 2 100 VAL QG 3.000 . 4.200 3.541 2.143 4.161 . 0 0 "[ . 1 . 2]" 3
20 2 5 GLY H 2 103 VAL MG1 3.900 . 5.500 5.753 5.608 5.991 0.491 7 0 "[ . 1 . 2]" 3
21 2 6 PHE H 2 6 PHE QB 2.900 . 4.100 2.523 2.373 2.694 . 0 0 "[ . 1 . 2]" 3
22 2 6 PHE HA 2 7 LYS H 2.700 . 3.800 2.233 2.217 2.280 . 0 0 "[ . 1 . 2]" 3
23 2 6 PHE QB 2 7 LYS H 3.300 . 4.600 3.439 2.997 3.787 . 0 0 "[ . 1 . 2]" 3
24 2 6 PHE QB 2 64 PHE H 4.300 . 6.000 3.272 2.987 3.448 . 0 0 "[ . 1 . 2]" 3
25 2 6 PHE H 2 64 PHE QB 4.400 . 5.300 3.275 2.737 3.806 . 0 0 "[ . 1 . 2]" 3
26 2 6 PHE H 2 64 PHE H 3.400 2.100 4.700 2.572 2.258 2.752 . 0 0 "[ . 1 . 2]" 3
27 2 6 PHE H 2 65 GLU H 4.300 2.600 6.000 5.032 4.741 5.348 . 0 0 "[ . 1 . 2]" 3
28 2 6 PHE QB 2 66 ASN H 3.200 . 4.500 4.838 4.588 5.102 0.602 13 3 "[ . 1- + . * 2]" 3
29 2 6 PHE H 2 66 ASN HA 3.900 2.300 5.500 4.751 4.178 5.503 0.003 7 0 "[ . 1 . 2]" 3
30 2 6 PHE HA 2 98 PHE H 3.500 2.100 4.900 5.103 4.936 5.264 0.364 19 0 "[ . 1 . 2]" 3
31 2 6 PHE H 2 100 VAL QG 3.400 . 4.700 4.317 3.393 5.076 0.376 14 0 "[ . 1 . 2]" 3
32 2 7 LYS H 2 7 LYS QD 4.000 . 5.600 4.750 4.566 4.908 . 0 0 "[ . 1 . 2]" 3
33 2 7 LYS HA 2 8 HIS H 3.000 . 4.200 2.120 2.095 2.155 . 0 0 "[ . 1 . 2]" 3
34 2 7 LYS QB 2 8 HIS H 3.300 . 4.600 3.614 3.406 3.715 . 0 0 "[ . 1 . 2]" 3
35 2 7 LYS QG 2 8 HIS H 3.300 . 4.600 2.410 2.119 2.661 . 0 0 "[ . 1 . 2]" 3
36 2 7 LYS QE 2 62 MET H 4.000 . 5.600 5.376 4.688 5.645 0.045 16 0 "[ . 1 . 2]" 3
37 2 7 LYS QG 2 62 MET H 4.100 . 4.900 4.117 3.558 4.441 . 0 0 "[ . 1 . 2]" 3
38 2 7 LYS QB 2 97 ASP H 4.200 . 5.900 6.300 6.012 6.561 0.661 15 6 "[ ** 1 *-+ *2]" 3
39 2 7 LYS QD 2 98 PHE H 4.300 . 6.000 4.955 4.167 5.849 . 0 0 "[ . 1 . 2]" 3
40 2 7 LYS QE 2 98 PHE H 3.000 . 4.200 3.927 2.716 4.672 0.472 19 0 "[ . 1 . 2]" 3
41 2 7 LYS H 2 98 PHE H 3.000 . 4.200 3.288 3.014 3.502 . 0 0 "[ . 1 . 2]" 3
42 2 8 HIS H 2 8 HIS QB 3.700 . 5.200 2.571 2.442 2.646 . 0 0 "[ . 1 . 2]" 3
43 2 8 HIS HA 2 9 LEU H 2.700 . 3.800 2.243 2.234 2.264 . 0 0 "[ . 1 . 2]" 3
44 2 8 HIS QB 2 9 LEU H 4.300 . 6.000 3.614 3.232 3.860 . 0 0 "[ . 1 . 2]" 3
45 2 8 HIS H 2 62 MET H 3.900 2.300 5.500 3.619 2.975 4.045 . 0 0 "[ . 1 . 2]" 3
46 2 8 HIS H 2 63 THR H 4.000 2.400 5.600 4.678 4.418 4.906 . 0 0 "[ . 1 . 2]" 3
47 2 9 LEU H 2 9 LEU QB 3.300 . 4.300 2.642 2.603 2.672 . 0 0 "[ . 1 . 2]" 3
48 2 9 LEU H 2 9 LEU MD2 3.000 . 4.200 4.183 4.118 4.238 0.038 10 0 "[ . 1 . 2]" 3
49 2 9 LEU HA 2 10 VAL H 2.800 . 3.900 2.225 2.206 2.243 . 0 0 "[ . 1 . 2]" 3
50 2 9 LEU MD1 2 10 VAL H 2.700 . 3.800 3.949 3.867 4.046 0.246 4 0 "[ . 1 . 2]" 3
51 2 9 LEU H 2 10 VAL HB 4.000 2.400 5.600 5.170 5.052 6.042 0.442 15 0 "[ . 1 . 2]" 3
52 2 9 LEU H 2 10 VAL MG1 4.300 . 6.000 5.434 5.015 6.141 0.141 15 0 "[ . 1 . 2]" 3
53 2 9 LEU H 2 10 VAL H 4.300 2.600 6.000 4.400 4.390 4.410 . 0 0 "[ . 1 . 2]" 3
54 2 9 LEU HA 2 60 PHE H 3.200 . 4.500 4.480 4.158 5.031 0.531 18 1 "[ . 1 . + 2]" 3
55 2 9 LEU HA 2 61 SER H 4.300 2.600 6.000 5.130 4.787 5.387 . 0 0 "[ . 1 . 2]" 3
56 2 9 LEU MD1 2 62 MET H 3.900 . 5.500 4.306 3.904 4.699 . 0 0 "[ . 1 . 2]" 3
57 2 9 LEU H 2 95 LEU HA 4.400 2.600 6.200 4.270 4.118 4.435 . 0 0 "[ . 1 . 2]" 3
58 2 9 LEU H 2 95 LEU QB 3.900 . 5.400 3.820 3.452 4.025 . 0 0 "[ . 1 . 2]" 3
59 2 9 LEU HA 2 96 LEU H 3.100 . 4.300 4.774 4.641 4.952 0.652 3 6 "[ + . * 1 .* *-*]" 3
60 2 9 LEU QB 2 96 LEU H 3.700 . 5.200 2.982 2.698 3.194 . 0 0 "[ . 1 . 2]" 3
61 2 9 LEU MD2 2 96 LEU H 2.900 . 4.100 3.503 3.278 3.702 . 0 0 "[ . 1 . 2]" 3
62 2 9 LEU H 2 96 LEU H 3.500 2.100 4.900 2.984 2.673 3.234 . 0 0 "[ . 1 . 2]" 3
63 2 9 LEU H 2 97 ASP QB 3.800 . 5.300 4.234 3.341 5.229 . 0 0 "[ . 1 . 2]" 3
64 2 10 VAL H 2 10 VAL HB 3.100 . 4.400 3.079 2.575 3.303 . 0 0 "[ . 1 . 2]" 3
65 2 10 VAL H 2 10 VAL MG1 3.100 . 4.300 2.077 1.912 3.809 . 0 0 "[ . 1 . 2]" 3
66 2 10 VAL HA 2 11 VAL H 2.900 . 4.100 2.233 2.218 2.251 . 0 0 "[ . 1 . 2]" 3
67 2 10 VAL MG2 2 11 VAL H 3.100 . 4.300 2.474 2.219 3.917 . 0 0 "[ . 1 . 2]" 3
68 2 10 VAL H 2 59 ALA HA 4.300 2.600 6.000 4.634 4.233 5.003 . 0 0 "[ . 1 . 2]" 3
69 2 10 VAL H 2 60 PHE H 3.600 2.100 5.100 2.794 2.527 3.331 . 0 0 "[ . 1 . 2]" 3
70 2 10 VAL H 2 61 SER HA 3.900 2.300 5.500 4.004 3.597 4.381 . 0 0 "[ . 1 . 2]" 3
71 2 10 VAL H 2 61 SER QB 4.300 . 5.700 5.594 5.098 5.895 0.195 1 0 "[ . 1 . 2]" 3
72 2 10 VAL H 2 62 MET H 4.200 2.500 5.900 4.532 4.010 5.114 . 0 0 "[ . 1 . 2]" 3
73 2 10 VAL HA 2 94 VAL H 4.500 2.700 6.300 4.269 4.117 4.498 . 0 0 "[ . 1 . 2]" 3
74 2 11 VAL H 2 11 VAL HB 3.000 . 4.200 3.019 2.890 3.152 . 0 0 "[ . 1 . 2]" 3
75 2 11 VAL H 2 11 VAL MG2 3.100 . 4.300 2.223 2.116 2.333 . 0 0 "[ . 1 . 2]" 3
76 2 11 VAL HA 2 12 VAL H 2.600 . 3.700 2.251 2.241 2.265 . 0 0 "[ . 1 . 2]" 3
77 2 11 VAL HB 2 12 VAL H 3.700 2.200 5.200 3.872 3.704 3.958 . 0 0 "[ . 1 . 2]" 3
78 2 11 VAL MG1 2 12 VAL H 2.800 . 3.900 2.707 2.623 2.858 . 0 0 "[ . 1 . 2]" 3
79 2 11 VAL MG1 2 58 HIS H 4.100 . 5.700 4.224 3.787 4.866 . 0 0 "[ . 1 . 2]" 3
80 2 11 VAL H 2 93 ILE QG 4.400 . 5.200 4.445 4.106 4.818 . 0 0 "[ . 1 . 2]" 3
81 2 11 VAL MG2 2 94 VAL H 3.600 . 5.100 4.192 4.036 4.492 . 0 0 "[ . 1 . 2]" 3
82 2 11 VAL H 2 94 VAL MG2 3.500 . 4.900 4.004 1.857 4.267 . 0 0 "[ . 1 . 2]" 3
83 2 11 VAL MG2 2 95 LEU H 4.500 . 6.300 4.831 4.558 5.183 . 0 0 "[ . 1 . 2]" 3
84 2 11 VAL H 2 95 LEU HA 3.800 2.400 5.300 3.534 3.363 3.820 . 0 0 "[ . 1 . 2]" 3
85 2 11 VAL H 2 96 LEU H 4.100 2.500 5.700 5.156 4.838 5.354 . 0 0 "[ . 1 . 2]" 3
86 2 12 VAL H 2 12 VAL HB 3.500 . 4.900 3.870 3.834 3.905 . 0 0 "[ . 1 . 2]" 3
87 2 12 VAL H 2 12 VAL MG1 2.900 . 4.000 2.559 2.401 2.923 . 0 0 "[ . 1 . 2]" 3
88 2 12 VAL HA 2 13 LYS H 2.800 . 3.900 2.278 2.167 2.371 . 0 0 "[ . 1 . 2]" 3
89 2 12 VAL HB 2 13 LYS H 3.200 2.200 4.500 2.671 2.406 2.987 . 0 0 "[ . 1 . 2]" 3
90 2 12 VAL MG2 2 13 LYS H 3.000 . 4.200 3.309 3.086 3.731 . 0 0 "[ . 1 . 2]" 3
91 2 12 VAL H 2 13 LYS H 4.000 2.400 5.600 4.469 4.442 4.494 . 0 0 "[ . 1 . 2]" 3
92 2 12 VAL MG2 2 57 THR H 4.000 . 5.600 4.477 3.970 5.853 0.253 5 0 "[ . 1 . 2]" 3
93 2 12 VAL MG2 2 58 HIS H 3.400 . 4.800 3.002 2.556 3.445 . 0 0 "[ . 1 . 2]" 3
94 2 12 VAL H 2 58 HIS HA 3.600 2.100 5.100 5.259 5.128 5.431 0.331 19 0 "[ . 1 . 2]" 3
95 2 12 VAL H 2 58 HIS H 3.700 2.200 5.200 3.448 3.044 3.917 . 0 0 "[ . 1 . 2]" 3
96 2 12 VAL H 2 59 ALA MB 3.300 . 4.600 3.613 3.121 4.178 . 0 0 "[ . 1 . 2]" 3
97 2 12 VAL MG1 2 92 LYS H 3.800 . 5.300 4.899 4.652 5.347 0.047 12 0 "[ . 1 . 2]" 3
98 2 12 VAL HA 2 94 VAL H 3.900 2.300 5.500 3.793 3.496 4.206 . 0 0 "[ . 1 . 2]" 3
99 2 12 VAL H 2 94 VAL H 4.200 2.500 5.900 5.269 5.073 5.644 . 0 0 "[ . 1 . 2]" 3
100 2 13 LYS H 2 13 LYS QB 2.900 . 4.100 2.550 2.306 2.677 . 0 0 "[ . 1 . 2]" 3
101 2 13 LYS HA 2 14 PHE H 2.700 . 3.800 2.375 2.337 2.402 . 0 0 "[ . 1 . 2]" 3
102 2 13 LYS QB 2 14 PHE H 3.100 . 4.300 3.276 2.720 3.545 . 0 0 "[ . 1 . 2]" 3
103 2 13 LYS H 2 56 PHE QB 4.500 . 6.300 5.444 4.539 6.305 0.005 4 0 "[ . 1 . 2]" 3
104 2 13 LYS HA 2 57 THR H 3.400 . 4.800 3.411 2.245 5.143 0.343 5 0 "[ . 1 . 2]" 3
105 2 13 LYS QD 2 57 THR H 4.100 . 5.800 3.515 1.869 4.938 . 0 0 "[ . 1 . 2]" 3
106 2 13 LYS HA 2 58 HIS H 3.200 . 4.500 4.091 3.630 4.359 . 0 0 "[ . 1 . 2]" 3
107 2 13 LYS H 2 90 ILE MD 4.000 . 5.600 4.427 3.365 5.204 . 0 0 "[ . 1 . 2]" 3
108 2 13 LYS H 2 90 ILE QG 4.200 . 5.900 4.404 3.528 5.462 . 0 0 "[ . 1 . 2]" 3
109 2 13 LYS H 2 91 ASP H 4.400 2.600 6.200 3.358 2.889 3.868 . 0 0 "[ . 1 . 2]" 3
110 2 13 LYS H 2 92 LYS H 3.200 . 4.500 2.702 2.397 3.087 . 0 0 "[ . 1 . 2]" 3
111 2 13 LYS H 2 93 ILE HA 4.100 2.500 5.700 4.668 4.500 4.784 . 0 0 "[ . 1 . 2]" 3
112 2 13 LYS H 2 93 ILE MD 3.600 . 5.100 5.108 4.767 5.353 0.253 14 0 "[ . 1 . 2]" 3
113 2 14 PHE H 2 14 PHE QB 3.300 . 4.600 2.659 2.431 2.731 . 0 0 "[ . 1 . 2]" 3
114 2 14 PHE HA 2 15 LYS H 3.000 . 4.200 2.294 2.254 2.366 . 0 0 "[ . 1 . 2]" 3
115 2 14 PHE QB 2 15 LYS H 3.300 . 4.600 2.871 2.704 3.338 . 0 0 "[ . 1 . 2]" 3
116 2 14 PHE H 2 15 LYS H 3.700 2.200 5.200 4.587 4.568 4.597 . 0 0 "[ . 1 . 2]" 3
117 2 14 PHE HA 2 16 GLU H 3.300 . 4.600 3.843 3.710 5.043 0.443 12 0 "[ . 1 . 2]" 3
118 2 14 PHE HA 2 17 ASP H 3.300 . 4.600 4.629 4.495 5.036 0.436 12 0 "[ . 1 . 2]" 3
119 2 14 PHE HA 2 18 THR H 2.700 . 3.800 4.049 3.886 4.186 0.386 11 0 "[ . 1 . 2]" 3
120 2 14 PHE QB 2 18 THR H 4.200 . 5.900 1.701 1.352 1.875 . 0 0 "[ . 1 . 2]" 3
121 2 14 PHE H 2 56 PHE HA 4.300 2.600 6.000 5.760 5.145 6.239 0.239 16 0 "[ . 1 . 2]" 3
122 2 14 PHE H 2 92 LYS QG 4.400 . 6.200 5.725 5.240 6.926 0.726 13 2 "[ .- 1 + . 2]" 3
123 2 15 LYS H 2 15 LYS QB 3.000 . 4.200 2.987 2.778 3.085 . 0 0 "[ . 1 . 2]" 3
124 2 15 LYS H 2 15 LYS QG 3.500 . 4.400 2.096 1.774 2.311 . 0 0 "[ . 1 . 2]" 3
125 2 15 LYS HA 2 16 GLU H 3.100 . 4.300 3.462 3.429 3.573 . 0 0 "[ . 1 . 2]" 3
126 2 15 LYS QB 2 16 GLU H 3.800 . 5.300 3.582 2.553 3.689 . 0 0 "[ . 1 . 2]" 3
127 2 15 LYS QG 2 16 GLU H 4.400 . 6.200 2.300 1.456 2.503 . 0 0 "[ . 1 . 2]" 3
128 2 15 LYS QB 2 17 ASP H 4.100 . 5.700 5.531 4.625 5.637 . 0 0 "[ . 1 . 2]" 3
129 2 15 LYS QG 2 18 THR H 4.100 . 5.700 5.671 4.788 5.824 0.124 6 0 "[ . 1 . 2]" 3
130 2 15 LYS H 2 18 THR MG 4.000 . 5.600 5.944 5.783 6.346 0.746 12 1 "[ . 1 + . 2]" 3
131 2 15 LYS H 2 90 ILE HA 3.600 2.200 5.000 4.318 3.936 4.702 . 0 0 "[ . 1 . 2]" 3
132 2 15 LYS QB 2 91 ASP H 3.500 . 4.900 5.006 4.471 6.086 1.186 12 1 "[ . 1 + . 2]" 3
133 2 15 LYS H 2 91 ASP H 3.600 2.200 5.000 4.191 3.956 4.396 . 0 0 "[ . 1 . 2]" 3
134 2 16 GLU H 2 16 GLU QB 2.900 . 4.100 2.407 2.347 2.522 . 0 0 "[ . 1 . 2]" 3
135 2 16 GLU H 2 16 GLU QG 3.600 . 4.600 3.163 2.229 4.138 . 0 0 "[ . 1 . 2]" 3
136 2 16 GLU HA 2 17 ASP H 2.500 . 3.500 3.538 3.529 3.540 0.040 7 0 "[ . 1 . 2]" 3
137 2 16 GLU QB 2 17 ASP H 2.700 . 3.800 2.127 2.038 2.288 . 0 0 "[ . 1 . 2]" 3
138 2 16 GLU QG 2 17 ASP H 3.200 . 4.500 3.674 3.346 3.865 . 0 0 "[ . 1 . 2]" 3
139 2 16 GLU H 2 17 ASP H 3.600 2.200 5.000 2.360 2.294 2.434 . 0 0 "[ . 1 . 2]" 3
140 2 16 GLU QB 2 18 THR H 3.400 . 4.800 4.213 3.913 5.196 0.396 12 0 "[ . 1 . 2]" 3
141 2 16 GLU QG 2 18 THR H 4.500 . 6.300 5.659 5.373 6.513 0.213 12 0 "[ . 1 . 2]" 3
142 2 17 ASP H 2 17 ASP HA 2.500 . 3.500 2.688 2.658 2.729 . 0 0 "[ . 1 . 2]" 3
143 2 17 ASP H 2 17 ASP QB 2.800 . 3.900 3.203 3.121 3.528 . 0 0 "[ . 1 . 2]" 3
144 2 17 ASP HA 2 18 THR H 2.800 2.100 3.900 2.483 2.220 2.588 . 0 0 "[ . 1 . 2]" 3
145 2 17 ASP QB 2 18 THR H 3.200 . 4.500 3.993 3.896 4.062 . 0 0 "[ . 1 . 2]" 3
146 2 17 ASP H 2 18 THR HB 3.700 2.200 5.200 4.973 4.789 5.509 0.309 12 0 "[ . 1 . 2]" 3
147 2 17 ASP H 2 18 THR H 2.600 . 3.600 2.427 2.184 3.218 . 0 0 "[ . 1 . 2]" 3
148 2 18 THR H 2 18 THR HB 2.300 . 3.200 2.672 2.445 2.729 . 0 0 "[ . 1 . 2]" 3
149 2 18 THR H 2 18 THR MG 2.800 . 3.900 3.774 3.762 3.781 . 0 0 "[ . 1 . 2]" 3
150 2 18 THR HA 2 19 LYS H 2.900 . 4.100 2.141 2.122 2.267 . 0 0 "[ . 1 . 2]" 3
151 2 18 THR MG 2 19 LYS H 3.200 . 4.500 2.957 1.793 3.132 . 0 0 "[ . 1 . 2]" 3
152 2 18 THR H 2 19 LYS QD 3.800 . 5.300 5.103 4.523 5.697 0.397 15 0 "[ . 1 . 2]" 3
153 2 18 THR H 2 19 LYS QG 4.100 . 5.700 5.595 5.074 6.103 0.403 12 0 "[ . 1 . 2]" 3
154 2 18 THR H 2 19 LYS H 3.300 . 4.600 4.405 4.338 4.661 0.061 12 0 "[ . 1 . 2]" 3
155 2 18 THR HA 2 20 VAL H 4.500 2.700 6.300 4.899 4.725 5.070 . 0 0 "[ . 1 . 2]" 3
156 2 18 THR MG 2 20 VAL H 3.700 . 5.200 3.140 3.013 3.277 . 0 0 "[ . 1 . 2]" 3
157 2 18 THR H 2 20 VAL MG1 3.600 . 5.000 5.075 4.356 5.402 0.402 17 0 "[ . 1 . 2]" 3
158 2 19 LYS H 2 19 LYS QB 3.200 . 4.500 2.812 2.371 2.951 . 0 0 "[ . 1 . 2]" 3
159 2 19 LYS H 2 19 LYS QG 3.500 . 4.900 2.041 1.762 3.075 . 0 0 "[ . 1 . 2]" 3
160 2 19 LYS HA 2 20 VAL H 2.500 . 3.500 2.318 2.280 2.367 . 0 0 "[ . 1 . 2]" 3
161 2 19 LYS QG 2 20 VAL H 3.600 . 5.000 4.547 4.369 4.771 . 0 0 "[ . 1 . 2]" 3
162 2 19 LYS H 2 20 VAL H 4.400 2.600 6.200 4.022 3.947 4.084 . 0 0 "[ . 1 . 2]" 3
163 2 19 LYS HA 2 21 ASP H 3.100 . 3.800 3.664 3.549 3.802 0.002 16 0 "[ . 1 . 2]" 3
164 2 19 LYS QG 2 21 ASP H 3.800 . 5.300 5.379 5.052 5.709 0.409 9 0 "[ . 1 . 2]" 3
165 2 19 LYS HA 2 22 GLU H 3.900 2.400 5.400 4.111 3.970 4.241 . 0 0 "[ . 1 . 2]" 3
166 2 19 LYS QB 2 22 GLU H 2.800 . 3.900 2.523 2.353 2.878 . 0 0 "[ . 1 . 2]" 3
167 2 19 LYS QG 2 22 GLU H 3.500 . 4.900 4.255 3.653 4.824 . 0 0 "[ . 1 . 2]" 3
168 2 20 VAL H 2 20 VAL HB 2.600 . 3.600 3.599 3.590 3.602 0.002 8 0 "[ . 1 . 2]" 3
169 2 20 VAL H 2 20 VAL MG1 2.500 . 3.500 2.064 1.911 2.236 . 0 0 "[ . 1 . 2]" 3
170 2 20 VAL HA 2 21 ASP H 3.200 . 4.500 3.536 3.518 3.553 . 0 0 "[ . 1 . 2]" 3
171 2 20 VAL HB 2 21 ASP H 2.600 2.200 3.600 3.646 3.565 3.694 0.094 13 0 "[ . 1 . 2]" 3
172 2 20 VAL MG2 2 21 ASP H 2.700 . 3.800 1.940 1.826 2.038 . 0 0 "[ . 1 . 2]" 3
173 2 20 VAL H 2 21 ASP H 2.700 . 3.800 2.745 2.674 2.817 . 0 0 "[ . 1 . 2]" 3
174 2 20 VAL HA 2 22 GLU H 3.900 2.300 5.500 4.520 4.302 4.724 . 0 0 "[ . 1 . 2]" 3
175 2 20 VAL MG1 2 22 GLU H 3.800 . 5.300 5.509 5.416 5.564 0.264 16 0 "[ . 1 . 2]" 3
176 2 20 VAL H 2 22 GLU H 4.400 2.600 6.200 4.381 4.324 4.448 . 0 0 "[ . 1 . 2]" 3
177 2 20 VAL HA 2 23 ILE H 3.600 2.200 5.000 3.408 3.299 3.512 . 0 0 "[ . 1 . 2]" 3
178 2 20 VAL HB 2 23 ILE H 3.900 2.400 5.400 5.230 5.117 5.374 . 0 0 "[ . 1 . 2]" 3
179 2 20 VAL MG2 2 23 ILE H 3.700 . 5.200 4.760 4.642 4.857 . 0 0 "[ . 1 . 2]" 3
180 2 20 VAL MG2 2 24 LEU H 3.900 . 5.400 4.707 4.432 4.862 . 0 0 "[ . 1 . 2]" 3
181 2 21 ASP H 2 21 ASP HA 2.600 . 3.700 2.864 2.846 2.875 . 0 0 "[ . 1 . 2]" 3
182 2 21 ASP QB 2 22 GLU H 3.100 . 4.300 3.011 2.497 3.464 . 0 0 "[ . 1 . 2]" 3
183 2 21 ASP H 2 22 GLU QB 3.200 . 4.500 4.685 4.542 4.840 0.340 16 0 "[ . 1 . 2]" 3
184 2 21 ASP H 2 22 GLU H 2.600 . 3.600 2.757 2.716 2.827 . 0 0 "[ . 1 . 2]" 3
185 2 21 ASP H 2 23 ILE QG 3.800 . 5.300 5.440 5.229 5.943 0.643 3 1 "[ + . 1 . 2]" 3
186 2 21 ASP H 2 23 ILE MG 3.900 . 5.400 5.592 5.396 5.685 0.285 13 0 "[ . 1 . 2]" 3
187 2 21 ASP H 2 24 LEU MD1 3.900 . 5.500 5.766 5.633 5.952 0.452 11 0 "[ . 1 . 2]" 3
188 2 22 GLU H 2 22 GLU HA 2.700 . 3.800 2.903 2.887 2.921 . 0 0 "[ . 1 . 2]" 3
189 2 22 GLU H 2 22 GLU QB 2.300 . 3.200 2.338 2.270 2.457 . 0 0 "[ . 1 . 2]" 3
190 2 22 GLU H 2 22 GLU QG 2.600 . 3.700 3.134 2.220 3.992 0.292 13 0 "[ . 1 . 2]" 3
191 2 22 GLU H 2 23 ILE MD 3.900 . 5.500 5.493 3.690 5.935 0.435 12 0 "[ . 1 . 2]" 3
192 2 22 GLU H 2 23 ILE QG 3.800 . 5.300 4.567 4.431 5.486 0.186 3 0 "[ . 1 . 2]" 3
193 2 22 GLU H 2 23 ILE MG 4.100 . 5.700 5.482 5.345 5.552 . 0 0 "[ . 1 . 2]" 3
194 2 22 GLU HA 2 25 LYS H 2.500 . 3.500 3.225 3.114 3.364 . 0 0 "[ . 1 . 2]" 3
195 2 23 ILE H 2 23 ILE HA 3.000 . 4.200 2.885 2.847 2.914 . 0 0 "[ . 1 . 2]" 3
196 2 23 ILE H 2 23 ILE HB 2.700 . 3.800 2.173 2.093 2.214 . 0 0 "[ . 1 . 2]" 3
197 2 23 ILE H 2 23 ILE MD 3.300 . 4.600 3.743 2.010 4.039 . 0 0 "[ . 1 . 2]" 3
198 2 23 ILE H 2 23 ILE QG 3.200 . 4.200 2.707 2.564 3.545 . 0 0 "[ . 1 . 2]" 3
199 2 23 ILE H 2 23 ILE MG 3.100 . 4.300 3.623 3.535 3.657 . 0 0 "[ . 1 . 2]" 3
200 2 23 ILE HB 2 24 LEU H 3.300 2.400 4.600 2.590 2.427 2.730 . 0 0 "[ . 1 . 2]" 3
201 2 23 ILE MD 2 24 LEU H 4.100 . 5.800 4.552 3.968 4.672 . 0 0 "[ . 1 . 2]" 3
202 2 23 ILE QG 2 24 LEU H 3.900 . 5.500 4.178 4.083 4.422 . 0 0 "[ . 1 . 2]" 3
203 2 23 ILE H 2 24 LEU MD2 4.400 . 6.200 6.023 5.939 6.148 . 0 0 "[ . 1 . 2]" 3
204 2 23 ILE H 2 24 LEU H 3.100 . 4.300 2.460 2.327 2.602 . 0 0 "[ . 1 . 2]" 3
205 2 23 ILE H 2 25 LYS H 3.600 2.200 5.000 3.936 3.856 4.063 . 0 0 "[ . 1 . 2]" 3
206 2 23 ILE QG 2 26 GLY H 3.600 . 5.100 5.283 5.030 5.488 0.388 15 0 "[ . 1 . 2]" 3
207 2 23 ILE MG 2 26 GLY H 3.600 . 5.100 4.139 4.005 4.317 . 0 0 "[ . 1 . 2]" 3
208 2 24 LEU H 2 24 LEU QB 2.800 . 3.900 2.191 2.145 2.223 . 0 0 "[ . 1 . 2]" 3
209 2 24 LEU H 2 24 LEU MD2 3.100 . 4.300 4.249 3.973 4.310 0.010 4 0 "[ . 1 . 2]" 3
210 2 24 LEU HA 2 25 LYS H 3.500 2.100 4.900 3.573 3.561 3.589 . 0 0 "[ . 1 . 2]" 3
211 2 24 LEU QB 2 25 LYS H 2.700 . 3.800 2.596 2.526 2.670 . 0 0 "[ . 1 . 2]" 3
212 2 24 LEU MD2 2 25 LYS H 3.200 . 4.500 4.220 4.047 4.346 . 0 0 "[ . 1 . 2]" 3
213 2 24 LEU H 2 25 LYS HA 3.700 2.200 5.200 5.401 5.360 5.445 0.245 4 0 "[ . 1 . 2]" 3
214 2 24 LEU H 2 25 LYS H 2.900 . 4.100 2.775 2.722 2.832 . 0 0 "[ . 1 . 2]" 3
215 2 24 LEU MD2 2 26 GLY H 4.200 . 5.900 5.821 4.491 6.043 0.143 12 0 "[ . 1 . 2]" 3
216 2 24 LEU HA 2 27 LEU H 3.700 2.600 5.200 3.071 2.820 3.281 . 0 0 "[ . 1 . 2]" 3
217 2 24 LEU MD1 2 27 LEU H 3.300 . 4.600 4.570 4.352 4.736 0.136 12 0 "[ . 1 . 2]" 3
218 2 24 LEU MD1 2 28 GLU H 3.500 . 4.900 4.343 3.595 4.711 . 0 0 "[ . 1 . 2]" 3
219 2 25 LYS H 2 25 LYS QB 2.300 . 3.200 2.276 2.108 2.425 . 0 0 "[ . 1 . 2]" 3
220 2 25 LYS H 2 25 LYS QG 2.900 . 4.100 3.750 2.397 4.027 . 0 0 "[ . 1 . 2]" 3
221 2 25 LYS QB 2 26 GLY H 2.700 . 3.800 2.800 2.583 3.550 . 0 0 "[ . 1 . 2]" 3
222 2 25 LYS QG 2 26 GLY H 3.500 . 4.900 3.901 1.918 4.502 . 0 0 "[ . 1 . 2]" 3
223 2 25 LYS H 2 27 LEU H 3.100 . 4.300 4.201 3.743 4.470 0.170 10 0 "[ . 1 . 2]" 3
224 2 25 LYS HA 2 28 GLU H 3.200 . 4.500 3.581 3.294 3.986 . 0 0 "[ . 1 . 2]" 3
225 2 25 LYS QB 2 28 GLU H 3.900 . 5.500 5.122 4.874 5.450 . 0 0 "[ . 1 . 2]" 3
226 2 25 LYS QB 2 29 ASN H 4.400 . 6.200 5.380 4.775 5.809 . 0 0 "[ . 1 . 2]" 3
227 2 26 GLY H 2 26 GLY HA3 2.400 . 3.400 2.355 2.344 2.374 . 0 0 "[ . 1 . 2]" 3
228 2 26 GLY H 2 27 LEU H 2.900 . 4.100 2.599 2.379 2.783 . 0 0 "[ . 1 . 2]" 3
229 2 26 GLY H 2 28 GLU QG 4.100 . 5.700 4.465 3.795 5.174 . 0 0 "[ . 1 . 2]" 3
230 2 26 GLY H 2 28 GLU H 4.100 2.500 5.700 4.140 3.910 4.554 . 0 0 "[ . 1 . 2]" 3
231 2 26 GLY HA2 2 29 ASN H 3.300 . 4.600 3.318 3.164 3.589 . 0 0 "[ . 1 . 2]" 3
232 2 27 LEU H 2 27 LEU QB 3.100 . 4.300 2.182 2.067 2.392 . 0 0 "[ . 1 . 2]" 3
233 2 27 LEU H 2 27 LEU HG 3.100 . 4.300 4.192 2.279 4.612 0.312 3 0 "[ . 1 . 2]" 3
234 2 27 LEU HA 2 28 GLU H 3.800 2.300 5.300 3.591 3.553 3.607 . 0 0 "[ . 1 . 2]" 3
235 2 27 LEU QB 2 28 GLU H 3.100 . 4.300 2.420 2.139 2.688 . 0 0 "[ . 1 . 2]" 3
236 2 27 LEU HG 2 28 GLU H 3.500 2.100 4.900 4.793 4.452 5.103 0.203 2 0 "[ . 1 . 2]" 3
237 2 27 LEU H 2 28 GLU H 2.900 . 4.100 2.929 2.753 3.015 . 0 0 "[ . 1 . 2]" 3
238 2 27 LEU QB 2 29 ASN H 4.200 . 5.900 4.508 4.211 4.764 . 0 0 "[ . 1 . 2]" 3
239 2 27 LEU H 2 29 ASN HD21 4.100 2.500 5.700 5.280 4.015 6.190 0.490 3 0 "[ . 1 . 2]" 3
240 2 27 LEU H 2 29 ASN H 3.900 2.300 5.500 4.093 3.583 4.360 . 0 0 "[ . 1 . 2]" 3
241 2 27 LEU HA 2 30 LEU H 3.300 2.300 4.600 3.023 2.857 3.199 . 0 0 "[ . 1 . 2]" 3
242 2 27 LEU MD2 2 30 LEU H 4.100 . 5.800 4.140 3.687 4.648 . 0 0 "[ . 1 . 2]" 3
243 2 28 GLU H 2 28 GLU HA 2.900 . 4.100 2.827 2.812 2.840 . 0 0 "[ . 1 . 2]" 3
244 2 28 GLU H 2 28 GLU QG 2.900 . 3.500 2.059 1.824 2.440 . 0 0 "[ . 1 . 2]" 3
245 2 28 GLU QG 2 29 ASN H 2.800 . 3.900 3.102 1.706 4.077 0.177 7 0 "[ . 1 . 2]" 3
246 2 28 GLU H 2 29 ASN QB 3.800 . 5.300 4.502 4.297 4.822 . 0 0 "[ . 1 . 2]" 3
247 2 28 GLU H 2 29 ASN H 2.800 . 3.900 2.717 2.659 2.769 . 0 0 "[ . 1 . 2]" 3
248 2 28 GLU HA 2 30 LEU H 3.800 2.300 5.300 4.400 4.211 4.710 . 0 0 "[ . 1 . 2]" 3
249 2 28 GLU HA 2 31 VAL H 3.100 . 4.400 3.368 3.238 3.603 . 0 0 "[ . 1 . 2]" 3
250 2 28 GLU H 2 31 VAL MG2 3.800 . 5.300 4.391 4.117 4.876 . 0 0 "[ . 1 . 2]" 3
251 2 29 ASN H 2 29 ASN HA 2.800 . 3.900 2.861 2.820 2.890 . 0 0 "[ . 1 . 2]" 3
252 2 29 ASN H 2 29 ASN QB 2.400 . 3.400 2.200 2.026 2.535 . 0 0 "[ . 1 . 2]" 3
253 2 29 ASN HA 2 30 LEU H 3.400 . 4.600 3.555 3.548 3.566 . 0 0 "[ . 1 . 2]" 3
254 2 29 ASN QB 2 30 LEU H 2.700 . 3.800 2.731 2.387 3.307 . 0 0 "[ . 1 . 2]" 3
255 2 29 ASN H 2 30 LEU QB 4.000 . 5.600 4.258 4.138 4.339 . 0 0 "[ . 1 . 2]" 3
256 2 29 ASN H 2 30 LEU H 2.800 . 3.900 2.643 2.581 2.735 . 0 0 "[ . 1 . 2]" 3
257 2 29 ASN QB 2 31 VAL H 4.300 . 6.000 4.866 4.674 5.135 . 0 0 "[ . 1 . 2]" 3
258 2 29 ASN H 2 31 VAL MG2 4.100 . 5.800 4.717 4.445 5.142 . 0 0 "[ . 1 . 2]" 3
259 2 29 ASN HA 2 32 SER H 3.100 . 4.300 3.341 3.246 3.436 . 0 0 "[ . 1 . 2]" 3
260 2 29 ASN QB 2 32 SER H 4.300 . 6.000 4.654 4.432 4.828 . 0 0 "[ . 1 . 2]" 3
261 2 30 LEU H 2 30 LEU HA 2.800 . 3.900 2.801 2.790 2.823 . 0 0 "[ . 1 . 2]" 3
262 2 30 LEU H 2 30 LEU QB 2.500 . 3.500 2.124 2.039 2.218 . 0 0 "[ . 1 . 2]" 3
263 2 30 LEU H 2 30 LEU MD1 3.000 . 4.200 4.108 3.830 4.251 0.051 5 0 "[ . 1 . 2]" 3
264 2 30 LEU QB 2 31 VAL H 3.100 . 4.300 2.467 2.349 2.565 . 0 0 "[ . 1 . 2]" 3
265 2 30 LEU H 2 31 VAL HB 3.900 2.300 5.500 5.046 4.910 5.187 . 0 0 "[ . 1 . 2]" 3
266 2 30 LEU H 2 31 VAL H 2.500 . 3.500 2.881 2.813 2.966 . 0 0 "[ . 1 . 2]" 3
267 2 30 LEU QB 2 32 SER H 3.700 . 5.200 4.335 4.270 4.488 . 0 0 "[ . 1 . 2]" 3
268 2 30 LEU H 2 32 SER H 3.600 2.200 5.000 4.013 3.909 4.183 . 0 0 "[ . 1 . 2]" 3
269 2 30 LEU HA 2 33 GLN H 3.500 2.100 4.900 3.753 3.439 4.039 . 0 0 "[ . 1 . 2]" 3
270 2 30 LEU QB 2 33 GLN H 3.600 . 5.000 4.954 4.698 5.205 0.205 2 0 "[ . 1 . 2]" 3
271 2 30 LEU MD2 2 33 GLN H 3.800 . 5.300 4.930 3.419 5.480 0.180 18 0 "[ . 1 . 2]" 3
272 2 31 VAL H 2 31 VAL HB 3.200 . 4.500 2.625 2.486 2.728 . 0 0 "[ . 1 . 2]" 3
273 2 31 VAL H 2 31 VAL MG2 2.500 . 3.500 1.908 1.744 2.165 . 0 0 "[ . 1 . 2]" 3
274 2 31 VAL HA 2 32 SER H 3.200 2.500 4.500 3.485 3.441 3.531 . 0 0 "[ . 1 . 2]" 3
275 2 31 VAL HB 2 32 SER H 3.200 . 4.500 2.903 2.679 3.073 . 0 0 "[ . 1 . 2]" 3
276 2 31 VAL MG2 2 32 SER H 2.600 . 3.600 3.871 3.781 4.024 0.424 1 0 "[ . 1 . 2]" 3
277 2 31 VAL H 2 32 SER QB 4.200 . 5.900 4.625 4.441 4.978 . 0 0 "[ . 1 . 2]" 3
278 2 31 VAL H 2 32 SER H 2.800 . 3.900 2.742 2.653 2.850 . 0 0 "[ . 1 . 2]" 3
279 2 31 VAL HA 2 33 GLN H 4.100 2.500 5.700 3.974 3.707 4.304 . 0 0 "[ . 1 . 2]" 3
280 2 31 VAL MG1 2 33 GLN H 3.500 . 4.500 4.788 4.604 4.935 0.435 9 0 "[ . 1 . 2]" 3
281 2 31 VAL H 2 33 GLN H 3.900 2.300 5.500 4.600 4.378 4.704 . 0 0 "[ . 1 . 2]" 3
282 2 31 VAL HA 2 34 ILE H 3.600 2.100 5.100 2.882 2.656 3.553 . 0 0 "[ . 1 . 2]" 3
283 2 31 VAL MG2 2 34 ILE H 3.500 . 4.900 4.740 4.572 5.062 0.162 12 0 "[ . 1 . 2]" 3
284 2 31 VAL MG2 2 41 GLU H 3.900 . 5.500 5.129 4.636 5.599 0.099 4 0 "[ . 1 . 2]" 3
285 2 32 SER H 2 32 SER HA 2.700 . 3.800 2.772 2.754 2.790 . 0 0 "[ . 1 . 2]" 3
286 2 32 SER H 2 32 SER QB 2.400 . 3.400 2.381 2.222 2.733 . 0 0 "[ . 1 . 2]" 3
287 2 32 SER HA 2 33 GLN H 3.100 . 4.400 3.567 3.546 3.581 . 0 0 "[ . 1 . 2]" 3
288 2 32 SER QB 2 33 GLN H 3.100 . 4.300 2.471 2.260 3.232 . 0 0 "[ . 1 . 2]" 3
289 2 32 SER H 2 33 GLN QB 4.000 . 5.600 5.010 4.593 5.280 . 0 0 "[ . 1 . 2]" 3
290 2 32 SER H 2 33 GLN H 2.700 . 3.800 2.924 2.858 2.978 . 0 0 "[ . 1 . 2]" 3
291 2 32 SER QB 2 34 ILE H 4.300 . 6.000 4.528 4.274 5.084 . 0 0 "[ . 1 . 2]" 3
292 2 32 SER H 2 34 ILE H 3.500 2.100 4.900 4.047 3.877 4.655 . 0 0 "[ . 1 . 2]" 3
293 2 33 GLN H 2 33 GLN HA 2.700 . 3.800 2.897 2.836 2.952 . 0 0 "[ . 1 . 2]" 3
294 2 33 GLN H 2 33 GLN QB 2.700 . 3.800 2.486 2.187 2.736 . 0 0 "[ . 1 . 2]" 3
295 2 33 GLN H 2 33 GLN QG 2.600 . 3.600 2.256 1.854 3.918 0.318 3 0 "[ . 1 . 2]" 3
296 2 33 GLN HA 2 34 ILE H 3.100 . 4.300 3.497 3.365 3.655 . 0 0 "[ . 1 . 2]" 3
297 2 33 GLN QB 2 34 ILE H 3.500 . 4.900 3.282 2.523 3.822 . 0 0 "[ . 1 . 2]" 3
298 2 33 GLN QG 2 34 ILE H 3.400 . 4.800 3.728 2.069 4.741 . 0 0 "[ . 1 . 2]" 3
299 2 33 GLN H 2 34 ILE H 2.600 . 3.600 2.684 2.416 2.917 . 0 0 "[ . 1 . 2]" 3
300 2 33 GLN H 2 78 LEU MD2 3.500 . 4.900 3.855 3.549 4.650 . 0 0 "[ . 1 . 2]" 3
301 2 34 ILE H 2 34 ILE HA 2.900 . 4.100 2.944 2.856 2.994 . 0 0 "[ . 1 . 2]" 3
302 2 34 ILE H 2 34 ILE HB 2.600 . 3.600 2.719 2.580 2.908 . 0 0 "[ . 1 . 2]" 3
303 2 34 ILE H 2 34 ILE MD 3.100 . 4.300 3.483 3.015 3.907 . 0 0 "[ . 1 . 2]" 3
304 2 34 ILE H 2 34 ILE QG 3.000 . 4.200 2.188 1.778 2.606 . 0 0 "[ . 1 . 2]" 3
305 2 34 ILE H 2 34 ILE MG 3.100 . 4.400 3.848 3.791 3.924 . 0 0 "[ . 1 . 2]" 3
306 2 34 ILE HA 2 35 ASP H 2.400 . 3.400 3.023 2.842 3.103 . 0 0 "[ . 1 . 2]" 3
307 2 34 ILE MD 2 35 ASP H 3.700 . 5.200 5.089 4.265 5.584 0.384 3 0 "[ . 1 . 2]" 3
308 2 34 ILE QG 2 35 ASP H 3.800 . 5.300 4.466 4.333 4.642 . 0 0 "[ . 1 . 2]" 3
309 2 34 ILE MG 2 35 ASP H 2.900 . 4.100 4.152 4.063 4.247 0.147 20 0 "[ . 1 . 2]" 3
310 2 34 ILE H 2 35 ASP H 3.700 2.200 5.200 2.953 2.726 3.425 . 0 0 "[ . 1 . 2]" 3
311 2 34 ILE HB 2 36 THR H 4.200 2.500 5.900 4.552 4.205 5.136 . 0 0 "[ . 1 . 2]" 3
312 2 34 ILE MD 2 36 THR H 3.800 . 5.300 5.116 4.074 5.747 0.447 7 0 "[ . 1 . 2]" 3
313 2 34 ILE MG 2 36 THR H 2.600 . 3.600 3.330 2.734 3.935 0.335 1 0 "[ . 1 . 2]" 3
314 2 34 ILE HB 2 37 VAL H 3.500 2.100 4.900 4.257 3.611 4.459 . 0 0 "[ . 1 . 2]" 3
315 2 34 ILE MG 2 37 VAL H 2.900 . 4.000 2.567 2.174 2.855 . 0 0 "[ . 1 . 2]" 3
316 2 34 ILE H 2 78 LEU MD2 4.100 . 5.700 5.861 5.406 6.151 0.451 20 0 "[ . 1 . 2]" 3
317 2 35 ASP H 2 35 ASP QB 2.800 . 3.900 2.449 2.278 2.536 . 0 0 "[ . 1 . 2]" 3
318 2 35 ASP QB 2 36 THR H 3.700 . 5.200 3.332 2.924 3.730 . 0 0 "[ . 1 . 2]" 3
319 2 35 ASP H 2 36 THR H 2.900 . 4.100 2.439 2.306 2.489 . 0 0 "[ . 1 . 2]" 3
320 2 35 ASP QB 2 37 VAL H 3.700 . 5.200 4.491 4.281 4.640 . 0 0 "[ . 1 . 2]" 3
321 2 35 ASP H 2 37 VAL MG1 4.300 . 6.000 5.260 5.062 5.416 . 0 0 "[ . 1 . 2]" 3
322 2 36 THR H 2 36 THR HA 2.700 . 3.800 2.907 2.869 2.943 . 0 0 "[ . 1 . 2]" 3
323 2 36 THR H 2 36 THR MG 2.500 . 3.500 1.985 1.731 2.337 . 0 0 "[ . 1 . 2]" 3
324 2 36 THR HA 2 37 VAL H 2.800 . 3.900 3.322 3.277 3.388 . 0 0 "[ . 1 . 2]" 3
325 2 36 THR H 2 37 VAL MG1 3.500 . 4.900 4.302 4.211 4.441 . 0 0 "[ . 1 . 2]" 3
326 2 37 VAL H 2 37 VAL HB 2.600 . 3.700 3.971 3.963 3.982 0.282 13 0 "[ . 1 . 2]" 3
327 2 37 VAL H 2 37 VAL MG1 2.500 . 3.500 2.427 2.287 2.482 . 0 0 "[ . 1 . 2]" 3
328 2 37 VAL H 2 37 VAL MG2 2.700 . 3.800 3.036 2.905 3.157 . 0 0 "[ . 1 . 2]" 3
329 2 37 VAL HA 2 38 LYS H 2.900 2.100 4.100 2.898 2.765 3.065 . 0 0 "[ . 1 . 2]" 3
330 2 37 VAL HB 2 38 LYS H 4.100 2.400 5.800 4.448 4.413 4.464 . 0 0 "[ . 1 . 2]" 3
331 2 37 VAL MG1 2 38 LYS H 3.600 . 5.000 4.312 4.207 4.352 . 0 0 "[ . 1 . 2]" 3
332 2 37 VAL MG2 2 38 LYS H 3.300 . 4.600 3.534 3.266 3.727 . 0 0 "[ . 1 . 2]" 3
333 2 37 VAL H 2 38 LYS H 3.600 2.200 5.000 2.982 2.885 3.095 . 0 0 "[ . 1 . 2]" 3
334 2 37 VAL HA 2 39 SER H 3.300 . 4.600 3.482 3.321 4.964 0.364 10 0 "[ . 1 . 2]" 3
335 2 38 LYS H 2 38 LYS QB 3.300 . 4.600 2.563 2.377 3.010 . 0 0 "[ . 1 . 2]" 3
336 2 38 LYS H 2 38 LYS QG 2.600 . 3.700 2.995 2.036 3.683 . 0 0 "[ . 1 . 2]" 3
337 2 38 LYS HA 2 39 SER H 3.300 2.300 4.600 2.824 2.711 3.560 . 0 0 "[ . 1 . 2]" 3
338 2 38 LYS QB 2 39 SER H 3.100 . 4.300 3.825 2.238 4.053 . 0 0 "[ . 1 . 2]" 3
339 2 38 LYS H 2 39 SER H 2.700 . 3.800 2.735 2.357 2.857 . 0 0 "[ . 1 . 2]" 3
340 2 38 LYS QG 2 65 GLU H 3.200 . 4.500 4.490 3.150 5.075 0.575 7 3 "[ . + 1 * . - 2]" 3
341 2 38 LYS QD 2 66 ASN H 3.600 . 5.000 4.838 2.879 5.310 0.310 20 0 "[ . 1 . 2]" 3
342 2 39 SER H 2 39 SER QB 2.900 . 4.100 2.957 2.224 3.350 . 0 0 "[ . 1 . 2]" 3
343 2 39 SER HA 2 40 PHE H 2.600 . 3.600 2.607 2.411 2.723 . 0 0 "[ . 1 . 2]" 3
344 2 39 SER H 2 40 PHE H 3.800 2.400 5.300 4.408 4.383 4.597 . 0 0 "[ . 1 . 2]" 3
345 2 39 SER H 2 64 PHE HA 3.300 . 4.600 4.795 4.417 4.929 0.329 12 0 "[ . 1 . 2]" 3
346 2 39 SER H 2 65 GLU QB 3.800 . 5.300 4.333 3.604 5.219 . 0 0 "[ . 1 . 2]" 3
347 2 40 PHE H 2 40 PHE QB 3.400 . 4.800 2.769 2.719 2.826 . 0 0 "[ . 1 . 2]" 3
348 2 40 PHE HA 2 41 GLU H 2.800 2.100 3.900 2.318 2.282 2.415 . 0 0 "[ . 1 . 2]" 3
349 2 40 PHE QB 2 41 GLU H 3.900 . 5.500 2.624 2.356 3.324 . 0 0 "[ . 1 . 2]" 3
350 2 40 PHE H 2 41 GLU H 3.100 . 4.300 4.452 4.447 4.456 0.156 4 0 "[ . 1 . 2]" 3
351 2 40 PHE HA 2 63 THR H 4.000 2.400 5.600 4.567 4.469 4.661 . 0 0 "[ . 1 . 2]" 3
352 2 40 PHE H 2 63 THR H 4.600 2.800 6.400 2.727 2.423 3.304 0.377 17 0 "[ . 1 . 2]" 3
353 2 41 GLU H 2 41 GLU QB 3.300 . 4.600 2.890 2.852 2.918 . 0 0 "[ . 1 . 2]" 3
354 2 41 GLU H 2 41 GLU QG 3.200 . 4.500 3.175 2.896 3.750 . 0 0 "[ . 1 . 2]" 3
355 2 41 GLU HA 2 42 TRP H 2.700 . 3.800 2.205 2.200 2.215 . 0 0 "[ . 1 . 2]" 3
356 2 41 GLU QB 2 42 TRP H 3.100 . 4.300 3.287 3.165 3.413 . 0 0 "[ . 1 . 2]" 3
357 2 41 GLU QG 2 42 TRP H 3.400 . 4.800 4.271 4.142 4.394 . 0 0 "[ . 1 . 2]" 3
358 2 41 GLU QB 2 61 SER H 4.100 . 5.700 4.871 4.336 5.224 . 0 0 "[ . 1 . 2]" 3
359 2 41 GLU QG 2 61 SER H 4.000 . 5.600 5.664 5.315 5.830 0.230 2 0 "[ . 1 . 2]" 3
360 2 41 GLU QB 2 62 MET H 3.800 . 5.300 5.680 5.474 5.846 0.546 20 2 "[ - . 1 . +]" 3
361 2 41 GLU H 2 62 MET HA 3.600 2.700 5.100 4.789 4.464 4.975 . 0 0 "[ . 1 . 2]" 3
362 2 41 GLU QG 2 63 THR H 3.800 . 5.300 3.419 3.161 3.786 . 0 0 "[ . 1 . 2]" 3
363 2 41 GLU H 2 63 THR MG 4.600 . 6.400 6.729 6.645 6.813 0.413 10 0 "[ . 1 . 2]" 3
364 2 41 GLU H 2 63 THR H 4.000 2.400 5.600 4.777 4.502 4.942 . 0 0 "[ . 1 . 2]" 3
365 2 42 TRP H 2 43 GLY H 4.500 2.700 6.300 4.486 4.426 4.588 . 0 0 "[ . 1 . 2]" 3
366 2 42 TRP H 2 60 PHE HA 3.600 2.200 5.000 4.278 3.895 4.680 . 0 0 "[ . 1 . 2]" 3
367 2 42 TRP H 2 61 SER H 3.400 . 4.800 2.724 2.467 3.129 . 0 0 "[ . 1 . 2]" 3
368 2 42 TRP H 2 63 THR H 4.200 2.500 5.900 5.462 5.087 5.710 . 0 0 "[ . 1 . 2]" 3
369 2 43 GLY HA3 2 44 GLU H 2.900 2.300 4.100 2.861 2.667 3.100 . 0 0 "[ . 1 . 2]" 3
370 2 43 GLY HA2 2 44 GLU H 2.800 2.300 3.900 2.376 2.224 2.536 0.076 11 0 "[ . 1 . 2]" 3
371 2 43 GLY H 2 60 PHE QB 4.500 . 6.300 6.325 5.968 6.591 0.291 15 0 "[ . 1 . 2]" 3
372 2 44 GLU H 2 44 GLU QB 3.000 . 4.200 2.905 2.737 3.316 . 0 0 "[ . 1 . 2]" 3
373 2 44 GLU HA 2 45 ASP H 2.700 . 3.800 2.240 2.161 2.502 . 0 0 "[ . 1 . 2]" 3
374 2 44 GLU QB 2 45 ASP H 3.100 . 4.300 2.893 2.271 3.463 . 0 0 "[ . 1 . 2]" 3
375 2 44 GLU H 2 45 ASP HA 3.900 2.300 5.500 4.755 4.622 5.060 . 0 0 "[ . 1 . 2]" 3
376 2 44 GLU H 2 45 ASP H 4.100 2.400 5.800 4.296 4.203 4.453 . 0 0 "[ . 1 . 2]" 3
377 2 44 GLU QB 2 58 HIS H 4.200 . 5.900 6.267 5.940 7.147 1.247 7 3 "[ . + 1 . - *]" 3
378 2 44 GLU H 2 58 HIS QB 3.100 . 4.300 4.337 3.385 4.830 0.530 19 1 "[ . 1 . +2]" 3
379 2 44 GLU HA 2 59 ALA H 3.200 . 4.500 4.762 4.584 5.046 0.546 20 2 "[ . - 1 . +]" 3
380 2 44 GLU H 2 59 ALA H 3.300 . 4.600 2.743 2.304 3.191 . 0 0 "[ . 1 . 2]" 3
381 2 45 ASP H 2 45 ASP QB 3.500 . 4.900 2.703 2.462 3.242 . 0 0 "[ . 1 . 2]" 3
382 2 45 ASP HA 2 46 LYS H 2.500 . 3.500 2.387 2.320 2.574 . 0 0 "[ . 1 . 2]" 3
383 2 45 ASP QB 2 46 LYS H 3.700 . 5.200 3.297 2.409 4.094 . 0 0 "[ . 1 . 2]" 3
384 2 45 ASP H 2 46 LYS H 3.900 2.300 5.500 4.274 3.389 4.533 . 0 0 "[ . 1 . 2]" 3
385 2 45 ASP H 2 58 HIS HA 3.600 2.200 5.000 4.564 4.318 5.003 0.003 3 0 "[ . 1 . 2]" 3
386 2 45 ASP H 2 58 HIS QB 4.100 . 5.800 5.090 4.369 5.842 0.042 17 0 "[ . 1 . 2]" 3
387 2 45 ASP H 2 59 ALA H 4.200 2.500 5.900 5.148 4.837 5.605 . 0 0 "[ . 1 . 2]" 3
388 2 46 LYS H 2 46 LYS HA 3.000 . 4.200 2.918 2.839 2.982 . 0 0 "[ . 1 . 2]" 3
389 2 46 LYS H 2 46 LYS QB 3.200 . 3.900 2.837 2.207 3.302 . 0 0 "[ . 1 . 2]" 3
390 2 46 LYS H 2 46 LYS QG 2.900 . 4.100 2.493 1.605 3.556 . 0 0 "[ . 1 . 2]" 3
391 2 46 LYS QD 2 47 GLU H 3.400 . 4.800 4.590 3.164 5.749 0.949 20 2 "[ . 1 - . +]" 3
392 2 46 LYS QG 2 47 GLU H 3.600 . 5.000 4.236 3.421 4.847 . 0 0 "[ . 1 . 2]" 3
393 2 46 LYS H 2 47 GLU QG 3.500 . 4.900 3.958 2.975 5.017 0.117 11 0 "[ . 1 . 2]" 3
394 2 46 LYS QD 2 56 PHE H 3.400 . 4.800 4.485 3.408 5.260 0.460 20 0 "[ . 1 . 2]" 3
395 2 46 LYS QE 2 56 PHE H 2.800 . 3.900 3.722 2.366 4.508 0.608 2 1 "[ + . 1 . 2]" 3
396 2 46 LYS QE 2 57 THR H 4.000 . 5.600 3.343 1.874 4.686 . 0 0 "[ . 1 . 2]" 3
397 2 46 LYS QE 2 58 HIS H 4.100 . 5.800 4.318 2.172 6.194 0.394 20 0 "[ . 1 . 2]" 3
398 2 47 GLU H 2 47 GLU HA 2.800 . 3.900 2.961 2.876 2.992 . 0 0 "[ . 1 . 2]" 3
399 2 47 GLU H 2 47 GLU QB 2.600 . 3.600 2.745 2.453 3.322 . 0 0 "[ . 1 . 2]" 3
400 2 47 GLU H 2 47 GLU QG 2.900 . 4.100 2.974 2.304 4.032 . 0 0 "[ . 1 . 2]" 3
401 2 47 GLU HA 2 48 SER H 3.300 2.400 4.600 2.825 2.310 3.426 0.090 11 0 "[ . 1 . 2]" 3
402 2 47 GLU QB 2 48 SER H 3.600 . 5.000 3.819 3.124 4.054 . 0 0 "[ . 1 . 2]" 3
403 2 47 GLU QG 2 48 SER H 4.200 . 5.900 4.398 3.509 4.773 . 0 0 "[ . 1 . 2]" 3
404 2 47 GLU H 2 48 SER QB 4.500 . 6.300 3.759 3.247 4.622 . 0 0 "[ . 1 . 2]" 3
405 2 47 GLU H 2 48 SER H 2.700 . 3.800 2.666 1.567 3.371 0.033 6 0 "[ . 1 . 2]" 3
406 2 48 SER HA 2 49 HIS H 2.800 . 3.900 2.644 2.198 3.468 . 0 0 "[ . 1 . 2]" 3
407 2 48 SER QB 2 49 HIS H 3.800 . 5.300 2.963 1.701 4.070 . 0 0 "[ . 1 . 2]" 3
408 2 49 HIS H 2 49 HIS QB 3.100 . 4.200 2.922 2.301 3.477 . 0 0 "[ . 1 . 2]" 3
409 2 49 HIS HA 2 50 ASP H 2.500 . 3.500 2.229 2.175 2.385 . 0 0 "[ . 1 . 2]" 3
410 2 49 HIS QB 2 50 ASP H 4.000 . 5.200 3.227 2.704 3.890 . 0 0 "[ . 1 . 2]" 3
411 2 49 HIS H 2 50 ASP H 4.200 2.500 5.900 4.209 3.647 4.677 . 0 0 "[ . 1 . 2]" 3
412 2 49 HIS HA 2 52 LEU H 3.000 . 4.200 4.418 4.259 4.745 0.545 19 1 "[ . 1 . +2]" 3
413 2 49 HIS QB 2 52 LEU H 3.600 . 5.000 2.441 2.030 2.707 . 0 0 "[ . 1 . 2]" 3
414 2 49 HIS H 2 52 LEU QB 4.000 . 5.600 4.022 2.263 5.317 . 0 0 "[ . 1 . 2]" 3
415 2 49 HIS H 2 52 LEU MD1 3.500 . 4.900 4.258 3.055 5.138 0.238 14 0 "[ . 1 . 2]" 3
416 2 50 ASP H 2 50 ASP QB 2.800 . 3.900 2.413 2.253 2.528 . 0 0 "[ . 1 . 2]" 3
417 2 50 ASP QB 2 51 MET H 4.300 . 6.000 2.722 2.452 3.340 . 0 0 "[ . 1 . 2]" 3
418 2 50 ASP H 2 51 MET QB 4.600 . 6.400 4.899 4.529 5.430 . 0 0 "[ . 1 . 2]" 3
419 2 50 ASP H 2 51 MET H 4.000 2.400 5.600 2.878 2.660 3.033 . 0 0 "[ . 1 . 2]" 3
420 2 51 MET H 2 51 MET QB 3.600 . 5.100 2.436 2.272 2.897 . 0 0 "[ . 1 . 2]" 3
421 2 51 MET H 2 51 MET QG 4.100 . 5.600 3.003 1.686 4.084 . 0 0 "[ . 1 . 2]" 3
422 2 51 MET QG 2 52 LEU H 3.700 . 5.200 3.641 2.045 4.563 . 0 0 "[ . 1 . 2]" 3
423 2 51 MET H 2 52 LEU H 3.500 2.100 4.900 2.646 2.461 2.808 . 0 0 "[ . 1 . 2]" 3
424 2 51 MET HA 2 54 GLN H 2.900 2.300 4.000 4.280 3.881 5.200 1.200 4 2 "[ +. 1- . 2]" 3
425 2 52 LEU H 2 52 LEU QB 2.800 . 3.700 2.573 2.462 2.687 . 0 0 "[ . 1 . 2]" 3
426 2 52 LEU H 2 52 LEU MD1 3.100 . 4.300 3.696 3.557 3.856 . 0 0 "[ . 1 . 2]" 3
427 2 52 LEU H 2 52 LEU MD2 3.200 . 4.500 3.209 2.910 3.492 . 0 0 "[ . 1 . 2]" 3
428 2 52 LEU HA 2 53 ARG H 3.500 2.200 4.900 3.517 3.378 3.585 . 0 0 "[ . 1 . 2]" 3
429 2 52 LEU MD1 2 53 ARG H 4.200 . 5.900 4.465 3.811 4.932 . 0 0 "[ . 1 . 2]" 3
430 2 52 LEU MD2 2 53 ARG H 4.000 . 5.200 4.493 4.358 4.663 . 0 0 "[ . 1 . 2]" 3
431 2 52 LEU H 2 53 ARG HA 4.400 2.600 6.200 5.074 4.769 5.377 . 0 0 "[ . 1 . 2]" 3
432 2 52 LEU H 2 53 ARG H 2.900 . 4.100 2.412 2.095 2.876 . 0 0 "[ . 1 . 2]" 3
433 2 52 LEU QB 2 54 GLN H 3.700 . 4.600 4.321 4.032 4.682 0.082 18 0 "[ . 1 . 2]" 3
434 2 52 LEU H 2 54 GLN H 3.900 2.400 5.400 3.924 3.553 4.769 . 0 0 "[ . 1 . 2]" 3
435 2 53 ARG H 2 54 GLN QG 4.200 . 5.900 5.412 4.371 6.384 0.484 11 0 "[ . 1 . 2]" 3
436 2 53 ARG H 2 54 GLN H 3.000 . 4.200 2.801 2.453 3.275 . 0 0 "[ . 1 . 2]" 3
437 2 53 ARG H 2 55 GLY H 4.300 2.600 6.000 4.032 3.730 4.818 . 0 0 "[ . 1 . 2]" 3
438 2 54 GLN H 2 54 GLN HA 2.500 . 3.500 2.389 2.341 2.704 . 0 0 "[ . 1 . 2]" 3
439 2 54 GLN H 2 54 GLN QG 3.100 . 3.800 3.026 1.748 3.934 0.134 16 0 "[ . 1 . 2]" 3
440 2 54 GLN QG 2 55 GLY H 3.900 . 5.400 4.554 4.116 4.830 . 0 0 "[ . 1 . 2]" 3
441 2 54 GLN H 2 55 GLY H 2.700 . 3.800 2.914 2.812 3.010 . 0 0 "[ . 1 . 2]" 3
442 2 55 GLY H 2 55 GLY HA3 3.000 . 4.200 2.872 2.768 2.975 . 0 0 "[ . 1 . 2]" 3
443 2 55 GLY H 2 55 GLY HA2 2.700 . 3.800 2.353 2.330 2.437 . 0 0 "[ . 1 . 2]" 3
444 2 55 GLY HA3 2 56 PHE H 3.600 2.200 5.000 3.223 2.923 3.383 . 0 0 "[ . 1 . 2]" 3
445 2 55 GLY HA2 2 56 PHE H 2.800 . 3.900 3.448 3.322 3.606 . 0 0 "[ . 1 . 2]" 3
446 2 55 GLY H 2 56 PHE QB 4.600 . 6.400 4.991 4.772 5.190 . 0 0 "[ . 1 . 2]" 3
447 2 56 PHE H 2 56 PHE QB 2.800 . 3.900 2.454 2.156 2.732 . 0 0 "[ . 1 . 2]" 3
448 2 56 PHE HA 2 57 THR H 3.200 . 4.500 2.775 2.183 3.481 . 0 0 "[ . 1 . 2]" 3
449 2 56 PHE QB 2 57 THR H 3.800 . 5.300 2.409 1.439 3.760 . 0 0 "[ . 1 . 2]" 3
450 2 56 PHE H 2 57 THR H 4.100 2.500 5.700 4.291 2.933 4.632 . 0 0 "[ . 1 . 2]" 3
451 2 56 PHE HA 2 58 HIS H 3.500 2.100 4.900 4.699 3.771 5.286 0.386 18 0 "[ . 1 . 2]" 3
452 2 57 THR H 2 57 THR MG 3.200 . 4.500 2.806 1.840 4.107 . 0 0 "[ . 1 . 2]" 3
453 2 57 THR HA 2 58 HIS H 3.800 2.300 5.300 3.582 3.552 3.609 . 0 0 "[ . 1 . 2]" 3
454 2 57 THR MG 2 58 HIS H 3.400 . 4.800 3.041 1.758 3.969 . 0 0 "[ . 1 . 2]" 3
455 2 57 THR H 2 58 HIS H 2.700 . 3.800 2.490 1.876 3.557 . 0 0 "[ . 1 . 2]" 3
456 2 58 HIS H 2 58 HIS QB 3.400 . 4.300 3.002 2.735 3.445 . 0 0 "[ . 1 . 2]" 3
457 2 58 HIS HA 2 59 ALA H 2.600 . 3.600 2.331 2.242 2.387 . 0 0 "[ . 1 . 2]" 3
458 2 58 HIS H 2 59 ALA MB 4.000 . 5.600 4.462 4.305 4.792 . 0 0 "[ . 1 . 2]" 3
459 2 58 HIS H 2 59 ALA H 3.600 2.200 5.000 4.348 4.308 4.518 . 0 0 "[ . 1 . 2]" 3
460 2 59 ALA H 2 59 ALA MB 2.800 . 3.900 2.646 2.578 2.694 . 0 0 "[ . 1 . 2]" 3
461 2 59 ALA HA 2 60 PHE H 2.600 . 3.600 2.429 2.172 2.506 . 0 0 "[ . 1 . 2]" 3
462 2 59 ALA H 2 60 PHE H 4.200 2.500 5.900 4.409 4.079 4.434 . 0 0 "[ . 1 . 2]" 3
463 2 60 PHE QB 2 61 SER H 3.400 . 4.800 3.226 3.093 3.721 . 0 0 "[ . 1 . 2]" 3
464 2 60 PHE H 2 61 SER H 4.400 2.700 6.100 4.317 4.284 4.546 . 0 0 "[ . 1 . 2]" 3
465 2 61 SER H 2 61 SER QB 3.200 . 4.500 2.519 2.254 3.035 . 0 0 "[ . 1 . 2]" 3
466 2 61 SER HA 2 62 MET H 2.900 . 4.000 2.243 2.193 2.278 . 0 0 "[ . 1 . 2]" 3
467 2 61 SER QB 2 62 MET H 3.500 . 4.900 3.787 3.373 4.032 . 0 0 "[ . 1 . 2]" 3
468 2 62 MET H 2 62 MET QB 3.600 . 5.000 2.479 2.336 2.624 . 0 0 "[ . 1 . 2]" 3
469 2 62 MET H 2 62 MET QG 4.100 . 5.700 2.587 2.239 3.160 . 0 0 "[ . 1 . 2]" 3
470 2 62 MET HA 2 63 THR H 2.800 . 3.900 2.130 2.123 2.157 . 0 0 "[ . 1 . 2]" 3
471 2 62 MET QB 2 63 THR H 3.500 . 4.900 3.277 3.041 3.502 . 0 0 "[ . 1 . 2]" 3
472 2 62 MET QG 2 63 THR H 4.000 . 5.600 4.139 3.968 4.337 . 0 0 "[ . 1 . 2]" 3
473 2 63 THR H 2 63 THR HB 3.200 . 4.500 2.636 2.550 2.706 . 0 0 "[ . 1 . 2]" 3
474 2 63 THR H 2 63 THR MG 3.500 . 4.500 3.858 3.760 3.903 . 0 0 "[ . 1 . 2]" 3
475 2 63 THR HA 2 64 PHE H 2.900 2.100 4.100 2.309 2.260 2.347 . 0 0 "[ . 1 . 2]" 3
476 2 63 THR HB 2 64 PHE H 3.700 2.200 5.200 4.048 3.955 4.151 . 0 0 "[ . 1 . 2]" 3
477 2 63 THR MG 2 64 PHE H 3.100 . 4.300 2.395 2.237 2.666 . 0 0 "[ . 1 . 2]" 3
478 2 63 THR H 2 64 PHE HA 3.800 2.300 5.300 4.778 4.734 4.870 . 0 0 "[ . 1 . 2]" 3
479 2 63 THR H 2 64 PHE H 4.500 2.700 6.300 4.455 4.434 4.474 . 0 0 "[ . 1 . 2]" 3
480 2 64 PHE HA 2 65 GLU H 2.900 . 4.100 2.335 2.218 2.448 . 0 0 "[ . 1 . 2]" 3
481 2 64 PHE QB 2 65 GLU H 3.700 . 5.200 2.879 2.509 3.398 . 0 0 "[ . 1 . 2]" 3
482 2 64 PHE H 2 65 GLU HA 4.400 2.700 6.100 5.028 4.945 5.131 . 0 0 "[ . 1 . 2]" 3
483 2 64 PHE HA 2 66 ASN H 3.000 . 4.200 3.878 3.489 4.125 . 0 0 "[ . 1 . 2]" 3
484 2 64 PHE QB 2 66 ASN H 3.000 . 4.200 2.579 2.458 2.775 . 0 0 "[ . 1 . 2]" 3
485 2 65 GLU H 2 65 GLU QB 2.700 . 3.800 2.345 2.289 2.471 . 0 0 "[ . 1 . 2]" 3
486 2 65 GLU H 2 65 GLU QG 3.400 . 4.800 3.738 2.172 4.108 . 0 0 "[ . 1 . 2]" 3
487 2 65 GLU HA 2 66 ASN H 2.900 . 4.100 3.471 3.439 3.493 . 0 0 "[ . 1 . 2]" 3
488 2 65 GLU QB 2 66 ASN H 2.600 . 3.700 2.794 2.658 3.466 . 0 0 "[ . 1 . 2]" 3
489 2 65 GLU QG 2 66 ASN H 3.500 . 4.900 3.930 2.584 4.439 . 0 0 "[ . 1 . 2]" 3
490 2 65 GLU H 2 66 ASN H 2.800 . 3.900 2.426 2.189 2.714 . 0 0 "[ . 1 . 2]" 3
491 2 66 ASN H 2 66 ASN HA 3.000 . 4.200 2.898 2.853 2.942 . 0 0 "[ . 1 . 2]" 3
492 2 66 ASN H 2 66 ASN QB 3.700 . 5.200 3.001 2.790 3.388 . 0 0 "[ . 1 . 2]" 3
493 2 66 ASN HA 2 67 LYS H 3.400 2.100 4.700 2.501 2.397 2.674 . 0 0 "[ . 1 . 2]" 3
494 2 66 ASN QB 2 67 LYS H 3.600 . 4.900 2.684 2.161 3.325 . 0 0 "[ . 1 . 2]" 3
495 2 66 ASN QB 2 68 ASP H 3.600 . 4.500 2.678 2.502 3.124 . 0 0 "[ . 1 . 2]" 3
496 2 66 ASN H 2 70 TYR H 3.600 2.200 5.000 4.716 4.137 5.154 0.154 14 0 "[ . 1 . 2]" 3
497 2 67 LYS H 2 67 LYS QB 3.400 . 4.800 2.443 2.207 2.566 . 0 0 "[ . 1 . 2]" 3
498 2 67 LYS QB 2 68 ASP H 2.900 . 4.100 3.169 2.865 3.707 . 0 0 "[ . 1 . 2]" 3
499 2 67 LYS QG 2 68 ASP H 4.300 . 6.000 3.635 2.219 4.259 . 0 0 "[ . 1 . 2]" 3
500 2 67 LYS H 2 68 ASP H 3.300 . 4.600 2.781 2.664 2.838 . 0 0 "[ . 1 . 2]" 3
501 2 67 LYS HA 2 70 TYR H 3.400 2.400 4.800 3.152 3.044 3.253 . 0 0 "[ . 1 . 2]" 3
502 2 67 LYS QB 2 70 TYR H 4.000 . 5.600 4.517 4.355 4.737 . 0 0 "[ . 1 . 2]" 3
503 2 68 ASP H 2 68 ASP HA 2.700 . 3.800 2.832 2.808 2.858 . 0 0 "[ . 1 . 2]" 3
504 2 68 ASP H 2 68 ASP QB 2.400 . 3.400 2.381 2.283 2.473 . 0 0 "[ . 1 . 2]" 3
505 2 68 ASP QB 2 69 GLY H 2.800 . 3.900 2.739 2.497 3.474 . 0 0 "[ . 1 . 2]" 3
506 2 68 ASP H 2 70 TYR H 3.500 2.100 4.900 4.095 3.954 4.249 . 0 0 "[ . 1 . 2]" 3
507 2 68 ASP HA 2 71 VAL H 3.300 2.100 4.600 3.533 3.427 3.655 . 0 0 "[ . 1 . 2]" 3
508 2 68 ASP H 2 71 VAL QG 3.900 . 5.500 4.069 3.967 4.167 . 0 0 "[ . 1 . 2]" 3
509 2 69 GLY HA2 2 70 TYR H 3.700 2.200 5.200 3.517 3.495 3.541 . 0 0 "[ . 1 . 2]" 3
510 2 69 GLY H 2 70 TYR QB 3.700 . 5.200 4.301 4.211 4.349 . 0 0 "[ . 1 . 2]" 3
511 2 69 GLY H 2 70 TYR H 2.900 . 4.100 2.520 2.425 2.576 . 0 0 "[ . 1 . 2]" 3
512 2 69 GLY H 2 71 VAL H 3.500 2.100 4.900 4.332 4.284 4.405 . 0 0 "[ . 1 . 2]" 3
513 2 69 GLY HA3 2 72 ALA H 3.300 . 4.600 4.588 4.506 4.653 0.053 14 0 "[ . 1 . 2]" 3
514 2 69 GLY HA2 2 72 ALA H 2.600 . 3.700 3.420 3.328 3.483 . 0 0 "[ . 1 . 2]" 3
515 2 69 GLY H 2 72 ALA MB 3.300 . 4.600 4.536 4.428 4.706 0.106 17 0 "[ . 1 . 2]" 3
516 2 69 GLY HA2 2 73 PHE H 3.400 . 4.800 3.891 3.796 4.032 . 0 0 "[ . 1 . 2]" 3
517 2 70 TYR H 2 70 TYR QB 3.100 . 4.100 2.267 2.244 2.274 . 0 0 "[ . 1 . 2]" 3
518 2 70 TYR QB 2 71 VAL H 3.200 . 4.500 2.553 2.505 2.649 . 0 0 "[ . 1 . 2]" 3
519 2 70 TYR H 2 71 VAL HA 4.100 2.600 5.700 5.406 5.359 5.462 . 0 0 "[ . 1 . 2]" 3
520 2 70 TYR H 2 71 VAL QG 3.800 . 5.300 3.677 3.625 3.741 . 0 0 "[ . 1 . 2]" 3
521 2 70 TYR H 2 71 VAL H 3.100 . 4.300 2.797 2.735 2.873 . 0 0 "[ . 1 . 2]" 3
522 2 70 TYR QB 2 72 ALA H 4.000 . 5.600 4.518 4.485 4.582 . 0 0 "[ . 1 . 2]" 3
523 2 70 TYR H 2 72 ALA H 3.800 2.300 5.300 3.904 3.857 3.942 . 0 0 "[ . 1 . 2]" 3
524 2 70 TYR H 2 73 PHE H 3.200 . 4.500 4.967 4.934 5.025 0.525 17 2 "[ . 1- . + 2]" 3
525 2 71 VAL H 2 71 VAL HB 2.700 . 3.800 3.682 3.680 3.682 . 0 0 "[ . 1 . 2]" 3
526 2 71 VAL H 2 71 VAL QG 2.500 . 3.500 1.877 1.876 1.878 . 0 0 "[ . 1 . 2]" 3
527 2 71 VAL HA 2 72 ALA H 3.200 2.500 4.500 3.489 3.488 3.491 . 0 0 "[ . 1 . 2]" 3
528 2 71 VAL HB 2 72 ALA H 2.800 . 3.900 3.975 3.974 3.976 0.076 10 0 "[ . 1 . 2]" 3
529 2 71 VAL QG 2 72 ALA H 3.000 . 4.200 2.235 2.234 2.235 . 0 0 "[ . 1 . 2]" 3
530 2 71 VAL H 2 72 ALA MB 3.500 . 4.900 4.182 4.181 4.182 . 0 0 "[ . 1 . 2]" 3
531 2 71 VAL H 2 72 ALA H 2.900 . 4.100 2.494 2.493 2.495 . 0 0 "[ . 1 . 2]" 3
532 2 72 ALA H 2 72 ALA MB 2.300 . 3.200 2.223 2.221 2.224 . 0 0 "[ . 1 . 2]" 3
533 2 72 ALA MB 2 73 PHE H 2.700 . 3.800 2.150 2.132 2.160 . 0 0 "[ . 1 . 2]" 3
534 2 72 ALA H 2 73 PHE H 2.900 . 4.100 2.862 2.855 2.877 . 0 0 "[ . 1 . 2]" 3
535 2 72 ALA H 2 74 THR MG 4.000 . 5.600 3.967 3.834 4.684 . 0 0 "[ . 1 . 2]" 3
536 2 72 ALA H 2 74 THR H 3.500 2.100 4.900 4.174 3.911 4.533 . 0 0 "[ . 1 . 2]" 3
537 2 72 ALA HA 2 75 SER H 3.300 2.100 4.600 3.637 3.255 4.114 . 0 0 "[ . 1 . 2]" 3
538 2 72 ALA MB 2 75 SER H 3.900 . 5.500 4.586 4.339 4.804 . 0 0 "[ . 1 . 2]" 3
539 2 73 PHE H 2 73 PHE QB 2.700 . 3.800 2.199 2.047 2.778 . 0 0 "[ . 1 . 2]" 3
540 2 73 PHE HA 2 74 THR H 3.600 2.200 5.000 3.577 3.547 3.612 . 0 0 "[ . 1 . 2]" 3
541 2 73 PHE QB 2 74 THR H 3.000 . 4.200 2.894 2.365 3.254 . 0 0 "[ . 1 . 2]" 3
542 2 73 PHE H 2 74 THR H 3.000 . 4.200 2.933 2.801 3.077 . 0 0 "[ . 1 . 2]" 3
543 2 73 PHE QB 2 75 SER H 3.600 . 5.000 4.844 4.557 5.064 0.064 2 0 "[ . 1 . 2]" 3
544 2 73 PHE H 2 75 SER QB 4.400 . 6.200 5.257 4.890 5.729 . 0 0 "[ . 1 . 2]" 3
545 2 74 THR H 2 74 THR HB 3.200 . 4.500 2.857 2.424 3.647 . 0 0 "[ . 1 . 2]" 3
546 2 74 THR H 2 74 THR MG 2.600 . 3.700 1.887 1.632 2.375 . 0 0 "[ . 1 . 2]" 3
547 2 74 THR HA 2 75 SER H 3.400 2.600 4.800 3.526 3.494 3.550 . 0 0 "[ . 1 . 2]" 3
548 2 74 THR MG 2 75 SER H 3.100 . 4.300 2.305 1.782 3.808 . 0 0 "[ . 1 . 2]" 3
549 2 74 THR H 2 75 SER H 2.700 . 3.800 2.541 2.376 2.887 . 0 0 "[ . 1 . 2]" 3
550 2 74 THR HA 2 76 HIS H 4.200 2.500 5.900 3.925 3.156 4.270 . 0 0 "[ . 1 . 2]" 3
551 2 75 SER H 2 75 SER HA 2.600 . 3.700 2.868 2.824 2.923 . 0 0 "[ . 1 . 2]" 3
552 2 75 SER H 2 75 SER QB 2.500 . 3.500 2.406 2.264 2.574 . 0 0 "[ . 1 . 2]" 3
553 2 75 SER HA 2 76 HIS H 2.900 2.200 4.100 3.453 3.148 3.555 . 0 0 "[ . 1 . 2]" 3
554 2 75 SER QB 2 76 HIS H 3.500 . 4.900 3.202 2.708 4.000 . 0 0 "[ . 1 . 2]" 3
555 2 75 SER H 2 76 HIS QB 3.600 . 5.100 4.669 4.436 5.093 . 0 0 "[ . 1 . 2]" 3
556 2 75 SER H 2 76 HIS H 2.700 . 3.800 2.729 2.554 3.030 . 0 0 "[ . 1 . 2]" 3
557 2 76 HIS H 2 76 HIS QB 2.800 . 3.900 2.402 2.197 2.936 . 0 0 "[ . 1 . 2]" 3
558 2 76 HIS H 2 77 PRO QD 3.600 . 4.900 4.352 4.246 4.426 . 0 0 "[ . 1 . 2]" 3
559 2 76 HIS QB 2 78 LEU H 4.300 . 6.000 2.451 2.278 2.751 . 0 0 "[ . 1 . 2]" 3
560 2 76 HIS H 2 78 LEU H 3.900 2.300 5.500 4.638 4.399 5.110 . 0 0 "[ . 1 . 2]" 3
561 2 76 HIS QB 2 79 HIS H 3.700 . 5.200 3.685 3.248 4.697 . 0 0 "[ . 1 . 2]" 3
562 2 76 HIS H 2 79 HIS QB 3.600 . 5.100 4.351 3.731 5.189 0.089 20 0 "[ . 1 . 2]" 3
563 2 77 PRO QB 2 78 LEU H 3.800 . 5.300 3.446 3.092 3.861 . 0 0 "[ . 1 . 2]" 3
564 2 77 PRO QD 2 78 LEU H 4.000 . 5.200 3.140 2.641 3.400 . 0 0 "[ . 1 . 2]" 3
565 2 78 LEU H 2 78 LEU QB 2.500 . 3.500 2.243 2.176 2.271 . 0 0 "[ . 1 . 2]" 3
566 2 78 LEU H 2 78 LEU MD1 2.800 . 3.900 3.996 3.727 4.242 0.342 11 0 "[ . 1 . 2]" 3
567 2 78 LEU QB 2 79 HIS H 3.700 . 5.200 2.786 2.664 2.871 . 0 0 "[ . 1 . 2]" 3
568 2 78 LEU HG 2 79 HIS H 3.500 2.300 4.900 4.350 3.990 4.790 . 0 0 "[ . 1 . 2]" 3
569 2 78 LEU H 2 79 HIS QB 4.300 . 6.000 4.409 4.338 4.524 . 0 0 "[ . 1 . 2]" 3
570 2 78 LEU H 2 79 HIS H 2.900 . 4.000 2.597 2.530 2.711 . 0 0 "[ . 1 . 2]" 3
571 2 78 LEU H 2 80 VAL H 4.000 2.400 5.600 4.263 4.045 4.449 . 0 0 "[ . 1 . 2]" 3
572 2 78 LEU HA 2 81 GLU H 3.100 2.300 4.300 4.252 4.052 4.408 0.108 18 0 "[ . 1 . 2]" 3
573 2 79 HIS H 2 79 HIS QB 3.200 . 4.000 2.285 2.221 2.312 . 0 0 "[ . 1 . 2]" 3
574 2 79 HIS QB 2 80 VAL H 3.800 . 5.200 2.619 2.451 2.824 . 0 0 "[ . 1 . 2]" 3
575 2 79 HIS H 2 80 VAL H 3.100 . 4.300 2.471 2.385 2.565 . 0 0 "[ . 1 . 2]" 3
576 2 79 HIS HA 2 82 PHE H 3.000 2.100 4.200 3.628 3.468 3.809 . 0 0 "[ . 1 . 2]" 3
577 2 80 VAL HA 2 81 GLU H 3.400 2.300 4.800 3.586 3.584 3.588 . 0 0 "[ . 1 . 2]" 3
578 2 80 VAL MG2 2 81 GLU H 2.700 . 3.800 3.385 2.847 3.811 0.011 14 0 "[ . 1 . 2]" 3
579 2 80 VAL H 2 81 GLU H 2.900 . 4.100 2.910 2.782 2.972 . 0 0 "[ . 1 . 2]" 3
580 2 80 VAL HA 2 83 SER H 3.700 2.600 5.200 3.408 3.165 3.625 . 0 0 "[ . 1 . 2]" 3
581 2 80 VAL MG2 2 83 SER H 4.200 . 5.900 4.786 4.153 5.151 . 0 0 "[ . 1 . 2]" 3
582 2 81 GLU H 2 81 GLU QB 2.200 . 3.100 2.344 2.248 2.535 . 0 0 "[ . 1 . 2]" 3
583 2 81 GLU H 2 81 GLU QG 3.100 . 4.300 3.142 1.952 4.076 . 0 0 "[ . 1 . 2]" 3
584 2 81 GLU QB 2 82 PHE H 2.800 . 3.900 2.617 2.484 3.405 . 0 0 "[ . 1 . 2]" 3
585 2 81 GLU H 2 82 PHE QB 4.200 . 5.900 4.604 4.528 4.709 . 0 0 "[ . 1 . 2]" 3
586 2 81 GLU H 2 82 PHE H 2.800 . 3.900 2.790 2.734 2.849 . 0 0 "[ . 1 . 2]" 3
587 2 81 GLU HA 2 83 SER H 3.300 . 4.600 4.452 4.062 4.644 0.044 14 0 "[ . 1 . 2]" 3
588 2 81 GLU QB 2 83 SER H 4.000 . 5.600 4.742 4.586 5.221 . 0 0 "[ . 1 . 2]" 3
589 2 81 GLU H 2 83 SER H 4.400 2.600 6.200 4.209 4.049 4.313 . 0 0 "[ . 1 . 2]" 3
590 2 81 GLU HA 2 84 ALA H 2.600 . 3.700 3.667 3.342 3.807 0.107 13 0 "[ . 1 . 2]" 3
591 2 82 PHE H 2 82 PHE HA 2.900 . 4.100 2.883 2.838 2.903 . 0 0 "[ . 1 . 2]" 3
592 2 82 PHE H 2 82 PHE QB 2.900 . 4.100 2.267 2.201 2.289 . 0 0 "[ . 1 . 2]" 3
593 2 82 PHE HA 2 83 SER H 3.500 2.300 4.900 3.550 3.512 3.571 . 0 0 "[ . 1 . 2]" 3
594 2 82 PHE QB 2 83 SER H 3.300 . 4.600 2.628 2.474 2.808 . 0 0 "[ . 1 . 2]" 3
595 2 82 PHE H 2 83 SER QB 4.100 . 5.700 4.553 4.291 4.945 . 0 0 "[ . 1 . 2]" 3
596 2 82 PHE H 2 83 SER H 2.900 . 4.100 2.612 2.514 2.779 . 0 0 "[ . 1 . 2]" 3
597 2 82 PHE HA 2 85 ALA H 3.200 . 4.100 3.554 3.348 3.759 . 0 0 "[ . 1 . 2]" 3
598 2 83 SER H 2 83 SER HA 3.000 . 4.200 2.849 2.838 2.867 . 0 0 "[ . 1 . 2]" 3
599 2 83 SER H 2 83 SER QB 2.600 . 3.600 2.362 2.246 2.559 . 0 0 "[ . 1 . 2]" 3
600 2 83 SER HA 2 84 ALA H 3.500 2.300 4.900 3.566 3.527 3.581 . 0 0 "[ . 1 . 2]" 3
601 2 83 SER QB 2 84 ALA H 3.000 . 4.200 2.846 2.479 3.544 . 0 0 "[ . 1 . 2]" 3
602 2 83 SER H 2 84 ALA MB 3.800 . 5.300 4.451 4.375 4.487 . 0 0 "[ . 1 . 2]" 3
603 2 83 SER H 2 84 ALA H 3.100 . 4.300 2.760 2.658 2.809 . 0 0 "[ . 1 . 2]" 3
604 2 83 SER H 2 85 ALA MB 4.400 . 6.200 5.083 4.782 5.393 . 0 0 "[ . 1 . 2]" 3
605 2 83 SER H 2 85 ALA H 3.500 2.100 4.900 4.357 4.042 4.614 . 0 0 "[ . 1 . 2]" 3
606 2 83 SER HA 2 86 PHE H 4.100 2.400 5.000 3.306 3.074 3.553 . 0 0 "[ . 1 . 2]" 3
607 2 83 SER HA 2 87 THR H 3.800 2.300 5.300 4.434 4.186 4.831 . 0 0 "[ . 1 . 2]" 3
608 2 84 ALA H 2 84 ALA MB 2.300 . 3.200 2.262 2.249 2.270 . 0 0 "[ . 1 . 2]" 3
609 2 84 ALA MB 2 85 ALA H 2.700 . 3.800 2.381 2.171 2.664 . 0 0 "[ . 1 . 2]" 3
610 2 84 ALA H 2 85 ALA MB 3.300 . 4.600 4.424 4.336 4.508 . 0 0 "[ . 1 . 2]" 3
611 2 84 ALA H 2 85 ALA H 2.700 . 3.800 2.738 2.640 2.829 . 0 0 "[ . 1 . 2]" 3
612 2 84 ALA H 2 86 PHE H 3.900 2.300 5.500 4.020 3.850 4.219 . 0 0 "[ . 1 . 2]" 3
613 2 84 ALA HA 2 87 THR H 2.900 2.400 4.100 3.861 3.680 4.184 0.084 7 0 "[ . 1 . 2]" 3
614 2 85 ALA H 2 85 ALA HA 2.700 . 3.800 2.891 2.872 2.936 . 0 0 "[ . 1 . 2]" 3
615 2 85 ALA H 2 85 ALA MB 2.400 . 3.400 2.246 2.205 2.280 . 0 0 "[ . 1 . 2]" 3
616 2 85 ALA MB 2 86 PHE H 3.200 . 4.500 2.491 2.402 2.574 . 0 0 "[ . 1 . 2]" 3
617 2 85 ALA H 2 86 PHE QB 4.000 . 5.200 4.302 4.091 4.390 . 0 0 "[ . 1 . 2]" 3
618 2 85 ALA H 2 86 PHE H 2.900 . 4.100 2.573 2.420 2.633 . 0 0 "[ . 1 . 2]" 3
619 2 86 PHE H 2 86 PHE QB 3.400 . 4.700 2.224 2.128 2.297 . 0 0 "[ . 1 . 2]" 3
620 2 86 PHE QB 2 87 THR H 3.500 . 4.800 2.876 2.762 3.149 . 0 0 "[ . 1 . 2]" 3
621 2 86 PHE HA 2 89 VAL H 3.700 2.200 5.200 3.907 3.819 4.115 . 0 0 "[ . 1 . 2]" 3
622 2 87 THR H 2 87 THR HB 3.200 . 4.500 2.768 2.616 3.626 . 0 0 "[ . 1 . 2]" 3
623 2 87 THR H 2 87 THR MG 3.100 . 4.300 3.508 1.684 3.803 . 0 0 "[ . 1 . 2]" 3
624 2 87 THR H 2 88 ALA MB 3.500 . 4.900 4.067 4.019 4.105 . 0 0 "[ . 1 . 2]" 3
625 2 87 THR H 2 88 ALA H 3.100 . 4.300 2.609 2.559 2.668 . 0 0 "[ . 1 . 2]" 3
626 2 87 THR HB 2 89 VAL H 4.400 2.700 6.100 4.540 4.320 5.201 . 0 0 "[ . 1 . 2]" 3
627 2 87 THR HB 2 90 ILE H 3.400 . 4.800 5.013 4.841 5.261 0.461 7 0 "[ . 1 . 2]" 3
628 2 88 ALA H 2 88 ALA HA 2.700 . 3.700 2.748 2.726 2.787 . 0 0 "[ . 1 . 2]" 3
629 2 88 ALA H 2 88 ALA MB 2.500 . 3.200 2.220 2.128 2.272 . 0 0 "[ . 1 . 2]" 3
630 2 89 VAL H 2 89 VAL HB 3.600 . 5.000 3.626 2.636 3.821 . 0 0 "[ . 1 . 2]" 3
631 2 89 VAL H 2 89 VAL MG2 2.600 . 3.600 2.175 1.862 3.838 0.238 1 0 "[ . 1 . 2]" 3
632 2 89 VAL HA 2 90 ILE H 3.700 2.200 5.200 3.240 3.158 3.398 . 0 0 "[ . 1 . 2]" 3
633 2 89 VAL HB 2 90 ILE H 3.800 2.300 5.300 4.450 4.305 4.511 . 0 0 "[ . 1 . 2]" 3
634 2 89 VAL MG2 2 90 ILE H 3.000 . 4.100 3.107 2.461 4.272 0.172 1 0 "[ . 1 . 2]" 3
635 2 89 VAL H 2 90 ILE MG 3.800 . 5.300 5.442 5.018 5.662 0.362 11 0 "[ . 1 . 2]" 3
636 2 89 VAL H 2 90 ILE H 2.500 . 3.500 2.432 1.971 2.701 . 0 0 "[ . 1 . 2]" 3
637 2 90 ILE H 2 90 ILE HB 2.800 . 3.900 2.593 2.452 2.685 . 0 0 "[ . 1 . 2]" 3
638 2 90 ILE H 2 90 ILE QG 3.000 . 3.900 3.294 3.037 4.095 0.195 4 0 "[ . 1 . 2]" 3
639 2 90 ILE H 2 90 ILE MG 3.000 . 4.200 3.736 3.407 3.853 . 0 0 "[ . 1 . 2]" 3
640 2 90 ILE HA 2 91 ASP H 3.100 2.200 4.300 2.343 2.292 2.389 . 0 0 "[ . 1 . 2]" 3
641 2 90 ILE MG 2 91 ASP H 3.400 . 4.700 1.764 1.640 1.989 . 0 0 "[ . 1 . 2]" 3
642 2 90 ILE H 2 91 ASP HA 4.100 2.400 5.800 4.967 4.893 5.032 . 0 0 "[ . 1 . 2]" 3
643 2 90 ILE H 2 91 ASP H 4.300 2.600 6.000 4.486 4.466 4.506 . 0 0 "[ . 1 . 2]" 3
644 2 90 ILE HA 2 92 LYS H 3.500 2.100 4.900 4.066 3.936 4.213 . 0 0 "[ . 1 . 2]" 3
645 2 90 ILE MG 2 92 LYS H 3.200 . 4.500 1.859 1.709 2.071 . 0 0 "[ . 1 . 2]" 3
646 2 90 ILE MG 2 93 ILE H 3.400 . 4.800 3.873 3.744 4.010 . 0 0 "[ . 1 . 2]" 3
647 2 91 ASP H 2 91 ASP HA 2.900 . 4.100 2.989 2.977 2.999 . 0 0 "[ . 1 . 2]" 3
648 2 91 ASP H 2 91 ASP QB 3.400 . 4.800 2.353 2.299 2.467 . 0 0 "[ . 1 . 2]" 3
649 2 91 ASP HA 2 92 LYS H 3.000 . 4.200 3.498 3.454 3.516 . 0 0 "[ . 1 . 2]" 3
650 2 91 ASP QB 2 92 LYS H 3.200 . 4.200 2.618 2.534 2.838 . 0 0 "[ . 1 . 2]" 3
651 2 91 ASP H 2 92 LYS QB 3.600 . 5.000 4.467 3.882 4.692 . 0 0 "[ . 1 . 2]" 3
652 2 91 ASP H 2 92 LYS H 2.900 . 4.000 1.961 1.748 2.096 0.052 6 0 "[ . 1 . 2]" 3
653 2 92 LYS H 2 92 LYS QB 3.400 . 3.800 2.881 2.412 3.059 . 0 0 "[ . 1 . 2]" 3
654 2 92 LYS H 2 92 LYS QG 3.400 . 4.600 2.698 2.290 3.797 . 0 0 "[ . 1 . 2]" 3
655 2 92 LYS QB 2 93 ILE H 3.000 . 3.900 3.191 2.913 3.833 . 0 0 "[ . 1 . 2]" 3
656 2 92 LYS H 2 93 ILE H 3.900 2.300 5.500 4.369 4.325 4.391 . 0 0 "[ . 1 . 2]" 3
657 2 93 ILE HA 2 94 VAL H 3.000 2.200 4.200 2.158 2.154 2.173 0.046 2 0 "[ . 1 . 2]" 3
658 2 93 ILE HB 2 94 VAL H 3.400 2.600 4.800 4.385 4.295 4.456 . 0 0 "[ . 1 . 2]" 3
659 2 93 ILE MD 2 94 VAL H 2.800 . 3.900 3.313 3.066 3.578 . 0 0 "[ . 1 . 2]" 3
660 2 93 ILE QG 2 94 VAL H 3.300 . 4.600 2.675 2.445 2.918 . 0 0 "[ . 1 . 2]" 3
661 2 93 ILE H 2 94 VAL H 4.000 2.400 5.600 4.306 4.252 4.353 . 0 0 "[ . 1 . 2]" 3
662 2 94 VAL H 2 94 VAL HB 3.200 . 4.500 2.819 2.637 3.750 . 0 0 "[ . 1 . 2]" 3
663 2 94 VAL H 2 94 VAL MG1 3.100 . 4.300 3.793 2.162 3.953 . 0 0 "[ . 1 . 2]" 3
664 2 94 VAL HA 2 95 LEU H 2.600 . 3.700 2.312 2.292 2.384 . 0 0 "[ . 1 . 2]" 3
665 2 94 VAL MG2 2 95 LEU H 2.800 . 3.900 4.129 2.327 4.300 0.400 16 0 "[ . 1 . 2]" 3
666 2 94 VAL H 2 95 LEU H 4.300 2.600 6.000 4.408 4.393 4.419 . 0 0 "[ . 1 . 2]" 3
667 2 95 LEU H 2 95 LEU QB 2.800 . 3.900 2.978 2.942 3.008 . 0 0 "[ . 1 . 2]" 3
668 2 95 LEU H 2 95 LEU MD2 3.300 . 4.600 4.235 4.144 4.297 . 0 0 "[ . 1 . 2]" 3
669 2 95 LEU HA 2 96 LEU H 2.600 . 3.600 2.181 2.158 2.212 . 0 0 "[ . 1 . 2]" 3
670 2 95 LEU H 2 96 LEU HA 4.400 2.700 6.100 4.879 4.844 4.936 . 0 0 "[ . 1 . 2]" 3
671 2 95 LEU H 2 96 LEU H 4.200 2.500 5.900 4.363 4.335 4.394 . 0 0 "[ . 1 . 2]" 3
672 2 96 LEU H 2 96 LEU HG 2.600 . 3.600 3.109 2.714 3.593 . 0 0 "[ . 1 . 2]" 3
673 2 96 LEU HA 2 97 ASP H 2.800 . 3.900 2.223 2.220 2.232 . 0 0 "[ . 1 . 2]" 3
674 2 96 LEU QB 2 97 ASP H 3.300 . 4.600 3.331 3.214 3.412 . 0 0 "[ . 1 . 2]" 3
675 2 96 LEU MD1 2 97 ASP H 3.400 . 4.800 4.897 4.777 5.033 0.233 13 0 "[ . 1 . 2]" 3
676 2 96 LEU H 2 97 ASP H 3.400 . 4.800 4.343 4.306 4.380 . 0 0 "[ . 1 . 2]" 3
677 2 97 ASP H 2 97 ASP QB 3.100 . 4.300 2.670 2.475 3.082 . 0 0 "[ . 1 . 2]" 3
678 2 97 ASP HA 2 98 PHE H 2.400 . 3.400 2.220 2.204 2.250 . 0 0 "[ . 1 . 2]" 3
679 2 97 ASP H 2 98 PHE H 3.500 2.100 4.900 4.370 4.320 4.408 . 0 0 "[ . 1 . 2]" 3
680 2 98 PHE H 2 98 PHE QB 3.400 . 4.700 2.916 2.629 3.402 . 0 0 "[ . 1 . 2]" 3
681 2 98 PHE H 2 99 PRO QD 3.600 . 5.100 4.161 3.984 4.372 . 0 0 "[ . 1 . 2]" 3
682 2 98 PHE H 2 100 VAL QG 3.300 . 4.600 4.241 3.823 4.868 0.268 4 0 "[ . 1 . 2]" 3
683 2 99 PRO HA 2 100 VAL H 2.800 . 3.900 2.233 2.223 2.272 . 0 0 "[ . 1 . 2]" 3
684 2 99 PRO QB 2 100 VAL H 3.500 . 4.600 3.397 3.121 3.667 . 0 0 "[ . 1 . 2]" 3
685 2 99 PRO QG 2 100 VAL H 4.300 . 6.000 4.720 4.569 4.828 . 0 0 "[ . 1 . 2]" 3
686 2 99 PRO QB 2 101 ALA H 3.800 . 5.300 5.206 4.564 5.567 0.267 9 0 "[ . 1 . 2]" 3
687 2 100 VAL H 2 100 VAL HB 3.000 . 4.200 2.655 2.383 3.678 . 0 0 "[ . 1 . 2]" 3
688 2 100 VAL H 2 100 VAL QG 2.600 . 3.600 2.435 1.681 2.974 . 0 0 "[ . 1 . 2]" 3
689 2 100 VAL HA 2 101 ALA H 2.500 . 3.500 2.214 2.183 2.259 . 0 0 "[ . 1 . 2]" 3
690 2 100 VAL HB 2 101 ALA H 3.200 . 4.500 4.134 3.060 4.383 . 0 0 "[ . 1 . 2]" 3
691 2 100 VAL QG 2 101 ALA H 2.300 . 3.200 2.566 2.139 3.401 0.201 5 0 "[ . 1 . 2]" 3
692 2 100 VAL H 2 101 ALA H 3.300 . 4.600 4.474 4.372 4.534 . 0 0 "[ . 1 . 2]" 3
693 2 101 ALA HA 2 102 ALA H 2.300 . 3.200 2.350 2.204 2.532 . 0 0 "[ . 1 . 2]" 3
694 2 101 ALA MB 2 102 ALA H 2.700 . 3.800 3.605 3.195 3.725 . 0 0 "[ . 1 . 2]" 3
695 2 101 ALA H 2 102 ALA H 3.300 . 4.600 3.911 3.498 4.260 . 0 0 "[ . 1 . 2]" 3
696 2 102 ALA H 2 102 ALA MB 2.500 . 3.500 2.313 2.181 2.851 . 0 0 "[ . 1 . 2]" 3
697 2 102 ALA H 2 103 VAL MG2 3.900 . 5.400 4.348 3.470 4.875 . 0 0 "[ . 1 . 2]" 3
698 2 102 ALA H 2 103 VAL H 2.900 . 4.000 4.058 3.841 4.360 0.360 17 0 "[ . 1 . 2]" 3
699 2 103 VAL H 2 103 VAL HB 2.800 . 3.900 3.918 3.801 3.970 0.070 16 0 "[ . 1 . 2]" 3
700 2 103 VAL H 2 103 VAL MG2 2.600 . 3.700 2.206 1.883 2.393 . 0 0 "[ . 1 . 2]" 3
701 2 103 VAL HA 2 104 LYS H 2.600 . 3.600 2.799 2.184 3.583 . 0 0 "[ . 1 . 2]" 3
702 2 103 VAL HB 2 104 LYS H 2.700 . 3.800 3.785 2.899 4.204 0.404 10 0 "[ . 1 . 2]" 3
703 2 103 VAL MG2 2 104 LYS H 2.700 . 3.800 3.217 1.690 4.205 0.405 6 0 "[ . 1 . 2]" 3
704 2 103 VAL H 2 104 LYS QD 3.700 . 5.200 3.784 2.909 5.335 0.135 19 0 "[ . 1 . 2]" 3
705 2 103 VAL H 2 104 LYS QG 2.900 . 4.000 3.368 2.641 4.159 0.159 4 0 "[ . 1 . 2]" 3
706 2 103 VAL H 2 104 LYS H 2.800 . 3.900 2.883 1.545 4.334 0.434 15 0 "[ . 1 . 2]" 3
707 2 103 VAL MG2 2 105 SER H 4.300 . 6.000 4.827 3.245 6.379 0.379 9 0 "[ . 1 . 2]" 3
708 2 103 VAL H 2 105 SER H 4.200 2.500 5.900 5.664 3.523 6.704 0.804 14 3 "[ . *- +. 2]" 3
709 2 104 LYS H 2 104 LYS HA 2.700 . 3.800 2.729 2.349 2.995 . 0 0 "[ . 1 . 2]" 3
710 2 104 LYS H 2 104 LYS QB 2.800 . 3.900 2.912 2.500 3.425 . 0 0 "[ . 1 . 2]" 3
711 2 104 LYS H 2 104 LYS QG 3.200 2.200 4.500 2.636 1.776 3.563 0.424 1 0 "[ . 1 . 2]" 3
712 2 104 LYS HA 2 105 SER H 2.800 . 3.900 3.026 2.206 3.533 . 0 0 "[ . 1 . 2]" 3
713 2 104 LYS QB 2 105 SER H 4.100 . 5.700 2.740 1.659 3.919 . 0 0 "[ . 1 . 2]" 3
714 2 104 LYS QG 2 105 SER H 3.900 . 5.500 3.983 1.787 4.620 . 0 0 "[ . 1 . 2]" 3
715 2 104 LYS HA 2 106 SER H 2.700 . 3.800 3.554 2.764 4.427 0.627 14 1 "[ . 1 +. 2]" 3
716 2 104 LYS H 2 106 SER QB 4.100 . 5.700 5.495 4.523 6.665 0.965 17 1 "[ . 1 . + 2]" 3
717 2 105 SER H 2 105 SER QB 3.300 . 4.600 3.089 2.270 3.531 . 0 0 "[ . 1 . 2]" 3
718 2 105 SER QB 2 106 SER H 2.700 . 3.800 2.929 1.771 3.952 0.152 1 0 "[ . 1 . 2]" 3
719 2 106 SER HA 2 107 VAL H 2.200 . 3.100 2.587 2.176 3.546 0.446 17 0 "[ . 1 . 2]" 3
720 2 106 SER QB 2 107 VAL H 2.700 . 3.800 3.517 1.759 4.075 0.275 10 0 "[ . 1 . 2]" 3
721 2 106 SER H 2 107 VAL H 3.300 . 4.600 3.657 2.176 4.677 0.077 11 0 "[ . 1 . 2]" 3
722 2 107 VAL H 2 107 VAL HA 2.700 . 3.800 2.870 2.352 2.994 . 0 0 "[ . 1 . 2]" 3
723 2 107 VAL H 2 107 VAL HB 2.400 . 3.400 3.001 2.412 3.587 0.187 15 0 "[ . 1 . 2]" 3
724 2 108 VAL H 2 108 VAL HA 2.100 . 2.900 2.898 2.388 2.995 0.095 17 0 "[ . 1 . 2]" 3
725 2 108 VAL H 2 108 VAL HB 2.400 . 3.400 3.211 2.327 3.749 0.349 13 0 "[ . 1 . 2]" 3
726 2 108 VAL H 2 108 VAL MG1 2.400 . 3.400 2.493 2.002 3.847 0.447 3 0 "[ . 1 . 2]" 3
727 2 108 VAL HA 2 109 ALA H 2.300 . 3.200 2.504 2.183 3.423 0.223 12 0 "[ . 1 . 2]" 3
728 2 108 VAL HB 2 109 ALA H 3.400 2.100 4.700 4.268 3.279 4.675 . 0 0 "[ . 1 . 2]" 3
729 2 108 VAL MG1 2 109 ALA H 3.100 . 4.400 3.508 1.613 4.370 . 0 0 "[ . 1 . 2]" 3
730 2 108 VAL MG1 2 110 THR H 4.000 . 5.600 4.634 3.574 5.738 0.138 16 0 "[ . 1 . 2]" 3
731 2 109 ALA H 2 109 ALA HA 3.000 . 4.200 2.908 2.808 2.987 . 0 0 "[ . 1 . 2]" 3
732 2 109 ALA H 2 109 ALA MB 2.700 . 3.800 2.316 2.206 2.578 . 0 0 "[ . 1 . 2]" 3
733 2 109 ALA HA 2 110 THR H 2.400 . 3.300 2.347 2.211 2.661 . 0 0 "[ . 1 . 2]" 3
734 2 109 ALA MB 2 110 THR H 3.700 . 5.200 3.034 2.172 3.707 . 0 0 "[ . 1 . 2]" 3
735 2 4 SER QB 2 102 ALA H 4.100 2.500 5.700 2.499 2.192 3.016 0.308 4 0 "[ . 1 . 2]" 3
736 2 7 LYS QE 2 8 HIS H 4.200 2.500 5.900 4.135 3.074 4.699 . 0 0 "[ . 1 . 2]" 3
737 2 9 LEU MD1 2 61 SER H 4.300 2.600 6.000 4.421 4.088 4.672 . 0 0 "[ . 1 . 2]" 3
738 2 42 TRP H 2 60 PHE QB 4.200 2.500 5.900 4.463 3.993 5.266 . 0 0 "[ . 1 . 2]" 3
739 2 44 GLU H 2 59 ALA MB 4.400 2.600 6.200 4.167 3.605 4.555 . 0 0 "[ . 1 . 2]" 3
740 2 52 LEU QB 2 53 ARG H 3.600 2.200 4.700 2.560 1.855 3.215 0.345 5 0 "[ . 1 . 2]" 3
741 2 52 LEU MD2 2 54 GLN H 4.400 2.600 6.200 5.069 4.910 5.254 . 0 0 "[ . 1 . 2]" 3
742 2 53 ARG H 2 54 GLN HA 4.100 2.500 5.700 4.969 4.618 5.202 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 607
_Distance_constraint_stats_list.Viol_count 1634
_Distance_constraint_stats_list.Viol_total 6092.941
_Distance_constraint_stats_list.Viol_max 0.951
_Distance_constraint_stats_list.Viol_rms 0.0849
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0251
_Distance_constraint_stats_list.Viol_average_violations_only 0.1864
_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
2 1 MET 1.516 0.407 16 0 "[ . 1 . 2]"
2 2 ALA 1.849 0.642 16 1 "[ . 1 .+ 2]"
2 3 THR 11.512 0.726 15 5 "[ . * 1- * +* 2]"
2 4 SER 6.944 0.531 16 1 "[ . 1 .+ 2]"
2 5 GLY 7.157 0.726 15 4 "[ . * 1- * + 2]"
2 6 PHE 3.091 0.385 10 0 "[ . 1 . 2]"
2 7 LYS 8.512 0.385 10 0 "[ . 1 . 2]"
2 8 HIS 4.888 0.499 4 0 "[ . 1 . 2]"
2 9 LEU 6.455 0.409 11 0 "[ . 1 . 2]"
2 10 VAL 20.211 0.752 15 4 "[ *. 1 - + * 2]"
2 11 VAL 18.130 0.873 9 1 "[ . +1 . 2]"
2 12 VAL 13.496 0.758 12 1 "[ . 1 + . 2]"
2 13 LYS 7.298 0.733 4 1 "[ +. 1 . 2]"
2 14 PHE 3.270 0.333 5 0 "[ . 1 . 2]"
2 15 LYS 6.584 0.471 12 0 "[ . 1 . 2]"
2 16 GLU 0.793 0.201 19 0 "[ . 1 . 2]"
2 17 ASP 6.491 0.471 12 0 "[ . 1 . 2]"
2 18 THR 14.222 0.758 12 1 "[ . 1 + . 2]"
2 19 LYS 12.085 0.562 17 4 "[ . * 1 -* + 2]"
2 20 VAL 22.766 0.550 19 7 "[ -.* * **. * +2]"
2 21 ASP 3.187 0.306 18 0 "[ . 1 . 2]"
2 22 GLU 12.021 0.562 17 3 "[ . 1 -* + 2]"
2 23 ILE 14.224 0.545 6 5 "[ -.+ 1 **. * 2]"
2 24 LEU 9.868 0.951 10 2 "[ . + . *2]"
2 25 LYS 11.733 0.489 14 0 "[ . 1 . 2]"
2 26 GLY 1.947 0.951 10 2 "[ . + . -2]"
2 27 LEU 20.900 0.673 5 4 "[ + 1 .-* *2]"
2 28 GLU 4.740 0.423 8 0 "[ . 1 . 2]"
2 29 ASN 6.032 0.527 17 1 "[ . 1 . + 2]"
2 30 LEU 36.139 0.708 12 9 "[* - * * + *** *2]"
2 31 VAL 0.311 0.311 7 0 "[ . 1 . 2]"
2 32 SER 2.183 0.341 9 0 "[ . 1 . 2]"
2 33 GLN 13.428 0.527 15 3 "[ - . 1 + *]"
2 34 ILE 3.614 0.263 11 0 "[ . 1 . 2]"
2 35 ASP 0.045 0.045 1 0 "[ . 1 . 2]"
2 36 THR 0.866 0.171 8 0 "[ . 1 . 2]"
2 37 VAL 3.550 0.349 10 0 "[ . 1 . 2]"
2 38 LYS 4.601 0.349 10 0 "[ . 1 . 2]"
2 39 SER 0.137 0.137 10 0 "[ . 1 . 2]"
2 40 PHE 4.073 0.221 16 0 "[ . 1 . 2]"
2 41 GLU 2.794 0.187 4 0 "[ . 1 . 2]"
2 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 GLU 8.202 0.557 3 2 "[ + . - 1 . 2]"
2 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 LYS 15.899 0.951 19 8 "[ . * -* **. * +*]"
2 47 GLU 0.032 0.032 19 0 "[ . 1 . 2]"
2 48 SER 7.782 0.884 19 3 "[ *- 1 . +2]"
2 49 HIS 0.249 0.096 17 0 "[ . 1 . 2]"
2 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 MET 1.052 0.403 5 0 "[ . 1 . 2]"
2 52 LEU 7.595 0.884 19 3 "[ *- 1 . +2]"
2 53 ARG 1.052 0.403 5 0 "[ . 1 . 2]"
2 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 GLY 6.204 0.951 19 4 "[ . -1 *. * +2]"
2 56 PHE 4.760 0.733 4 1 "[ +. 1 . 2]"
2 57 THR 11.738 0.804 14 4 "[ . * - *+. 2]"
2 58 HIS 8.306 0.557 3 2 "[ + . - 1 . 2]"
2 59 ALA 2.818 0.752 15 1 "[ . 1 + 2]"
2 60 PHE 8.443 0.499 4 0 "[ . 1 . 2]"
2 61 SER 1.876 0.183 10 0 "[ . 1 . 2]"
2 62 MET 8.759 0.308 13 0 "[ . 1 . 2]"
2 63 THR 3.161 0.222 15 0 "[ . 1 . 2]"
2 64 PHE 1.131 0.316 4 0 "[ . 1 . 2]"
2 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 ASN 3.025 0.409 12 0 "[ . 1 . 2]"
2 67 LYS 0.674 0.294 12 0 "[ . 1 . 2]"
2 68 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 GLY 0.603 0.171 8 0 "[ . 1 . 2]"
2 70 TYR 3.025 0.409 12 0 "[ . 1 . 2]"
2 71 VAL 0.676 0.294 12 0 "[ . 1 . 2]"
2 72 ALA 0.538 0.225 16 0 "[ . 1 . 2]"
2 73 PHE 0.120 0.082 18 0 "[ . 1 . 2]"
2 74 THR 6.490 0.508 20 1 "[ . 1 . +]"
2 75 SER 1.321 0.396 14 0 "[ . 1 . 2]"
2 76 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 PRO 4.210 0.487 5 0 "[ . 1 . 2]"
2 78 LEU 20.738 0.708 12 5 "[* * * + . - 2]"
2 79 HIS 7.727 0.447 5 0 "[ . 1 . 2]"
2 80 VAL 4.547 0.487 5 0 "[ . 1 . 2]"
2 81 GLU 0.275 0.087 7 0 "[ . 1 . 2]"
2 82 PHE 1.609 0.253 11 0 "[ . 1 . 2]"
2 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 ALA 1.743 0.253 11 0 "[ . 1 . 2]"
2 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 THR 9.462 0.533 1 2 "[+ . - . 2]"
2 88 ALA 10.309 0.533 1 2 "[+ . - . 2]"
2 89 VAL 4.519 0.556 8 1 "[ . + 1 . 2]"
2 90 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 ASP 1.524 0.337 6 0 "[ . 1 . 2]"
2 92 LYS 6.202 0.448 1 0 "[ . 1 . 2]"
2 93 ILE 19.252 0.539 9 4 "[*- . +1 *. 2]"
2 94 VAL 9.892 0.873 9 4 "[ *. +1 - . * 2]"
2 95 LEU 10.249 0.389 19 0 "[ . 1 . 2]"
2 96 LEU 7.225 0.310 19 0 "[ . 1 . 2]"
2 97 ASP 0.049 0.032 11 0 "[ . 1 . 2]"
2 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 100 VAL 2.195 0.298 9 0 "[ . 1 . 2]"
2 101 ALA 4.861 0.531 16 1 "[ . 1 .+ 2]"
2 102 ALA 0.725 0.239 9 0 "[ . 1 . 2]"
2 103 VAL 3.529 0.373 1 0 "[ . 1 . 2]"
2 104 LYS 1.048 0.213 11 0 "[ . 1 . 2]"
2 105 SER 4.257 0.724 14 1 "[ . 1 +. 2]"
2 107 VAL 4.257 0.724 14 1 "[ . 1 +. 2]"
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 2 1 MET HA 2 1 MET QB 2.500 . 3.500 2.343 2.187 2.440 . 0 0 "[ . 1 . 2]" 4
2 2 1 MET HA 2 1 MET QG 3.200 . 4.500 2.626 2.249 3.445 . 0 0 "[ . 1 . 2]" 4
3 2 1 MET HA 2 2 ALA H 2.800 . 3.900 3.396 2.199 3.588 . 0 0 "[ . 1 . 2]" 4
4 2 1 MET QB 2 2 ALA MB 4.100 . 5.800 4.188 3.227 4.578 . 0 0 "[ . 1 . 2]" 4
5 2 1 MET QB 2 2 ALA H 3.500 . 4.900 2.720 1.808 3.860 . 0 0 "[ . 1 . 2]" 4
6 2 1 MET QB 2 3 THR MG 3.300 . 4.600 3.992 2.876 4.899 0.299 12 0 "[ . 1 . 2]" 4
7 2 1 MET QB 2 3 THR HB 4.000 . 5.600 3.628 2.809 4.586 . 0 0 "[ . 1 . 2]" 4
8 2 1 MET QG 2 3 THR MG 3.600 . 5.100 4.548 2.804 5.507 0.407 16 0 "[ . 1 . 2]" 4
9 2 2 ALA HA 2 2 ALA MB 2.300 . 3.200 2.143 2.127 2.150 . 0 0 "[ . 1 . 2]" 4
10 2 2 ALA HA 2 3 THR HB 3.600 2.200 5.000 4.899 4.206 5.253 0.253 17 0 "[ . 1 . 2]" 4
11 2 2 ALA HA 2 3 THR MG 3.400 . 4.800 4.241 3.698 5.442 0.642 16 1 "[ . 1 .+ 2]" 4
12 2 3 THR HA 2 3 THR HB 2.700 . 3.800 2.606 2.463 2.986 . 0 0 "[ . 1 . 2]" 4
13 2 3 THR HB 2 3 THR MG 2.400 . 3.400 2.137 2.133 2.146 . 0 0 "[ . 1 . 2]" 4
14 2 3 THR MG 2 5 GLY HA3 4.300 . 6.000 6.032 4.451 6.726 0.726 15 4 "[ . * 1- * + 2]" 4
15 2 3 THR HB 2 101 ALA MB 4.100 . 5.700 4.481 3.647 5.883 0.183 7 0 "[ . 1 . 2]" 4
16 2 3 THR MG 2 103 VAL MG2 3.000 . 4.200 4.287 3.775 4.573 0.373 1 0 "[ . 1 . 2]" 4
17 2 4 SER HA 2 5 GLY HA3 4.500 2.700 6.300 5.008 4.659 5.257 . 0 0 "[ . 1 . 2]" 4
18 2 4 SER QB 2 5 GLY HA2 3.000 . 4.200 4.157 3.944 4.586 0.386 16 0 "[ . 1 . 2]" 4
19 2 4 SER QB 2 100 VAL QG 2.800 . 3.900 3.720 2.530 4.198 0.298 9 0 "[ . 1 . 2]" 4
20 2 4 SER HA 2 101 ALA HA 3.300 . 4.600 4.789 4.229 5.131 0.531 16 1 "[ . 1 .+ 2]" 4
21 2 4 SER QB 2 102 ALA MB 2.900 . 4.100 3.533 2.594 4.339 0.239 9 0 "[ . 1 . 2]" 4
22 2 5 GLY HA3 2 6 PHE H 3.300 . 4.600 2.665 2.362 3.047 . 0 0 "[ . 1 . 2]" 4
23 2 5 GLY HA3 2 63 THR MG 4.400 . 6.200 3.210 2.793 3.622 . 0 0 "[ . 1 . 2]" 4
24 2 5 GLY HA2 2 63 THR MG 4.300 . 6.000 4.170 3.551 4.578 . 0 0 "[ . 1 . 2]" 4
25 2 5 GLY HA2 2 64 PHE HA 4.300 2.600 6.000 5.919 5.390 6.316 0.316 4 0 "[ . 1 . 2]" 4
26 2 5 GLY HA3 2 100 VAL QG 4.500 . 6.300 3.826 3.036 4.863 . 0 0 "[ . 1 . 2]" 4
27 2 5 GLY HA2 2 100 VAL QG 4.500 . 6.300 4.839 3.846 5.812 . 0 0 "[ . 1 . 2]" 4
28 2 6 PHE QB 2 7 LYS QG 4.100 . 5.700 5.846 5.634 6.085 0.385 10 0 "[ . 1 . 2]" 4
29 2 6 PHE QB 2 63 THR MG 3.200 . 4.500 4.378 4.141 4.540 0.040 17 0 "[ . 1 . 2]" 4
30 2 6 PHE H 2 63 THR HA 4.000 2.400 5.600 4.355 4.068 4.681 . 0 0 "[ . 1 . 2]" 4
31 2 7 LYS QE 2 7 LYS QG 3.000 . 4.200 2.178 2.103 2.353 . 0 0 "[ . 1 . 2]" 4
32 2 7 LYS QG 2 8 HIS QB 3.300 . 4.600 4.325 4.120 4.759 0.159 19 0 "[ . 1 . 2]" 4
33 2 7 LYS QE 2 9 LEU HA 3.300 . 4.600 4.449 3.778 4.675 0.075 3 0 "[ . 1 . 2]" 4
34 2 7 LYS QD 2 61 SER QB 4.300 . 6.000 4.276 2.382 5.423 . 0 0 "[ . 1 . 2]" 4
35 2 7 LYS QG 2 62 MET QB 3.400 . 4.800 4.871 4.657 5.011 0.211 5 0 "[ . 1 . 2]" 4
36 2 7 LYS HA 2 63 THR MG 3.900 . 5.400 3.050 2.583 3.301 . 0 0 "[ . 1 . 2]" 4
37 2 7 LYS QG 2 63 THR HB 3.700 . 5.200 4.739 4.246 5.208 0.008 10 0 "[ . 1 . 2]" 4
38 2 7 LYS H 2 63 THR MG 3.100 . 4.300 4.347 4.034 4.514 0.214 10 0 "[ . 1 . 2]" 4
39 2 7 LYS QE 2 96 LEU QB 3.400 . 4.800 3.376 2.269 4.435 . 0 0 "[ . 1 . 2]" 4
40 2 7 LYS QE 2 96 LEU MD1 2.800 . 3.900 3.975 3.601 4.210 0.310 19 0 "[ . 1 . 2]" 4
41 2 7 LYS QG 2 98 PHE H 3.800 . 5.300 4.620 3.756 5.271 . 0 0 "[ . 1 . 2]" 4
42 2 7 LYS H 2 100 VAL QG 2.900 . 4.000 2.629 1.968 3.128 . 0 0 "[ . 1 . 2]" 4
43 2 8 HIS HA 2 9 LEU HA 4.000 2.400 5.600 4.465 4.455 4.476 . 0 0 "[ . 1 . 2]" 4
44 2 8 HIS QB 2 60 PHE QB 4.100 . 5.700 5.936 5.764 6.199 0.499 4 0 "[ . 1 . 2]" 4
45 2 8 HIS QB 2 62 MET HA 4.100 . 5.700 4.677 4.237 4.974 . 0 0 "[ . 1 . 2]" 4
46 2 8 HIS QB 2 62 MET QB 4.400 . 6.200 2.175 2.036 2.291 . 0 0 "[ . 1 . 2]" 4
47 2 8 HIS QB 2 62 MET QG 4.000 . 5.600 3.976 3.656 4.170 . 0 0 "[ . 1 . 2]" 4
48 2 8 HIS HA 2 96 LEU MD1 4.300 . 6.000 5.479 5.145 5.855 . 0 0 "[ . 1 . 2]" 4
49 2 8 HIS HA 2 97 ASP QB 3.700 . 5.200 3.184 2.227 4.038 . 0 0 "[ . 1 . 2]" 4
50 2 9 LEU HA 2 9 LEU MD1 2.700 . 3.800 3.329 3.299 3.363 . 0 0 "[ . 1 . 2]" 4
51 2 9 LEU MD1 2 9 LEU MD2 1.900 . 2.600 2.074 2.063 2.080 . 0 0 "[ . 1 . 2]" 4
52 2 9 LEU H 2 9 LEU MD1 3.500 . 4.900 4.690 4.635 4.720 . 0 0 "[ . 1 . 2]" 4
53 2 9 LEU MD2 2 11 VAL HA 3.600 . 5.000 3.718 3.571 3.931 . 0 0 "[ . 1 . 2]" 4
54 2 9 LEU MD2 2 11 VAL MG1 2.200 . 3.100 3.346 3.179 3.509 0.409 11 0 "[ . 1 . 2]" 4
55 2 9 LEU HG 2 11 VAL MG2 3.600 . 5.100 4.108 3.989 4.220 . 0 0 "[ . 1 . 2]" 4
56 2 9 LEU MD1 2 60 PHE HA 3.800 . 5.300 5.212 4.804 5.420 0.120 8 0 "[ . 1 . 2]" 4
57 2 9 LEU MD1 2 60 PHE H 3.700 . 5.200 4.547 4.225 5.242 0.042 18 0 "[ . 1 . 2]" 4
58 2 9 LEU MD2 2 60 PHE HA 4.100 . 5.700 5.711 5.505 5.856 0.156 20 0 "[ . 1 . 2]" 4
59 2 9 LEU HA 2 61 SER HA 3.500 2.100 4.900 2.753 2.262 3.186 . 0 0 "[ . 1 . 2]" 4
60 2 9 LEU HA 2 61 SER QB 3.600 . 5.000 4.655 3.914 5.064 0.064 20 0 "[ . 1 . 2]" 4
61 2 9 LEU QB 2 61 SER HA 4.100 . 5.700 3.352 2.970 3.658 . 0 0 "[ . 1 . 2]" 4
62 2 9 LEU MD1 2 61 SER HA 3.400 . 4.800 2.614 2.331 3.110 . 0 0 "[ . 1 . 2]" 4
63 2 9 LEU MD1 2 61 SER QB 3.400 . 4.500 2.709 2.211 3.203 . 0 0 "[ . 1 . 2]" 4
64 2 9 LEU QB 2 96 LEU MD1 3.300 . 4.500 2.204 2.034 2.439 . 0 0 "[ . 1 . 2]" 4
65 2 9 LEU MD1 2 96 LEU QB 3.800 . 5.300 4.512 4.200 4.930 . 0 0 "[ . 1 . 2]" 4
66 2 9 LEU MD2 2 96 LEU QB 3.300 . 4.600 3.773 3.255 4.105 . 0 0 "[ . 1 . 2]" 4
67 2 10 VAL HA 2 10 VAL MG2 3.100 . 4.300 2.343 2.228 2.441 . 0 0 "[ . 1 . 2]" 4
68 2 10 VAL MG1 2 10 VAL MG2 2.300 . 3.200 2.048 1.986 2.082 . 0 0 "[ . 1 . 2]" 4
69 2 10 VAL H 2 10 VAL MG2 3.700 . 5.200 3.844 2.959 3.921 . 0 0 "[ . 1 . 2]" 4
70 2 10 VAL MG1 2 11 VAL HA 3.300 . 4.600 3.783 3.662 4.029 . 0 0 "[ . 1 . 2]" 4
71 2 10 VAL H 2 11 VAL MG2 4.200 . 5.900 4.126 3.922 4.263 . 0 0 "[ . 1 . 2]" 4
72 2 10 VAL MG1 2 59 ALA MB 2.600 . 3.600 3.640 3.177 4.352 0.752 15 1 "[ . 1 + 2]" 4
73 2 10 VAL MG2 2 60 PHE H 3.100 . 4.300 4.406 4.021 4.553 0.253 15 0 "[ . 1 . 2]" 4
74 2 10 VAL HA 2 93 ILE MD 3.300 . 4.600 4.739 4.565 4.880 0.280 9 0 "[ . 1 . 2]" 4
75 2 10 VAL HB 2 93 ILE QG 3.900 . 5.400 4.659 4.410 5.450 0.050 15 0 "[ . 1 . 2]" 4
76 2 10 VAL HA 2 94 VAL MG2 3.700 . 5.200 5.484 3.606 5.751 0.551 4 3 "[ +. 1 - . * 2]" 4
77 2 10 VAL HA 2 95 LEU HA 3.700 2.200 5.200 2.260 2.188 2.320 0.012 4 0 "[ . 1 . 2]" 4
78 2 10 VAL HB 2 95 LEU HG 3.400 . 4.800 3.616 3.194 4.813 0.013 15 0 "[ . 1 . 2]" 4
79 2 10 VAL MG1 2 95 LEU HA 3.900 . 5.500 4.888 3.840 5.055 . 0 0 "[ . 1 . 2]" 4
80 2 10 VAL MG1 2 95 LEU QB 3.600 . 5.000 4.859 4.067 5.033 0.033 7 0 "[ . 1 . 2]" 4
81 2 10 VAL MG1 2 95 LEU MD2 2.800 . 3.900 3.962 3.248 4.196 0.296 11 0 "[ . 1 . 2]" 4
82 2 10 VAL MG1 2 95 LEU HG 3.600 . 5.100 4.622 2.672 4.976 . 0 0 "[ . 1 . 2]" 4
83 2 10 VAL MG2 2 95 LEU HA 3.800 . 5.300 3.618 2.866 3.910 . 0 0 "[ . 1 . 2]" 4
84 2 10 VAL H 2 95 LEU QB 3.600 . 5.000 5.121 4.868 5.389 0.389 19 0 "[ . 1 . 2]" 4
85 2 10 VAL HA 2 96 LEU MD1 3.700 . 5.200 3.588 3.043 3.908 . 0 0 "[ . 1 . 2]" 4
86 2 10 VAL H 2 96 LEU MD1 3.900 . 5.500 4.460 4.136 4.775 . 0 0 "[ . 1 . 2]" 4
87 2 11 VAL HA 2 11 VAL MG1 3.000 . 4.200 2.182 2.130 2.233 . 0 0 "[ . 1 . 2]" 4
88 2 11 VAL HA 2 11 VAL MG2 3.000 . 4.200 2.680 2.629 2.766 . 0 0 "[ . 1 . 2]" 4
89 2 11 VAL H 2 11 VAL MG1 3.700 . 5.200 3.907 3.872 3.934 . 0 0 "[ . 1 . 2]" 4
90 2 11 VAL HA 2 12 VAL MG1 3.000 . 4.200 3.210 3.067 3.549 . 0 0 "[ . 1 . 2]" 4
91 2 11 VAL HB 2 12 VAL MG1 3.200 . 4.500 4.419 4.323 4.528 0.028 15 0 "[ . 1 . 2]" 4
92 2 11 VAL MG1 2 12 VAL HB 4.000 . 5.600 5.844 5.673 5.990 0.390 9 0 "[ . 1 . 2]" 4
93 2 11 VAL MG2 2 12 VAL HA 4.300 . 6.000 5.318 5.201 5.382 . 0 0 "[ . 1 . 2]" 4
94 2 11 VAL MG2 2 12 VAL H 3.300 . 4.600 4.390 4.345 4.426 . 0 0 "[ . 1 . 2]" 4
95 2 11 VAL H 2 12 VAL MG2 4.100 . 5.800 5.346 4.953 5.556 . 0 0 "[ . 1 . 2]" 4
96 2 11 VAL MG1 2 56 PHE QB 3.400 . 4.600 2.464 1.972 3.071 . 0 0 "[ . 1 . 2]" 4
97 2 11 VAL MG1 2 57 THR H 4.200 . 5.900 4.375 3.728 5.155 . 0 0 "[ . 1 . 2]" 4
98 2 11 VAL HA 2 59 ALA HA 3.300 . 4.600 2.799 2.378 3.032 . 0 0 "[ . 1 . 2]" 4
99 2 11 VAL MG1 2 59 ALA HA 3.700 . 5.200 3.909 3.547 4.264 . 0 0 "[ . 1 . 2]" 4
100 2 11 VAL MG1 2 59 ALA H 3.700 . 5.200 5.007 4.594 5.331 0.131 7 0 "[ . 1 . 2]" 4
101 2 11 VAL MG2 2 59 ALA HA 3.400 . 4.700 4.563 4.314 4.836 0.136 3 0 "[ . 1 . 2]" 4
102 2 11 VAL HB 2 93 ILE HA 4.300 2.600 6.000 5.620 5.420 5.805 . 0 0 "[ . 1 . 2]" 4
103 2 11 VAL HB 2 93 ILE QG 4.500 . 6.300 6.407 6.138 6.627 0.327 9 0 "[ . 1 . 2]" 4
104 2 11 VAL MG2 2 93 ILE HA 4.100 . 5.700 5.870 5.761 5.953 0.253 11 0 "[ . 1 . 2]" 4
105 2 11 VAL H 2 93 ILE MD 4.000 . 5.600 4.480 4.193 4.679 . 0 0 "[ . 1 . 2]" 4
106 2 11 VAL HA 2 94 VAL MG2 4.300 . 6.000 5.326 3.738 6.261 0.261 11 0 "[ . 1 . 2]" 4
107 2 11 VAL HB 2 94 VAL MG2 3.300 . 4.600 3.244 2.076 4.275 . 0 0 "[ . 1 . 2]" 4
108 2 11 VAL HB 2 94 VAL H 4.000 2.400 5.600 4.100 3.844 4.563 . 0 0 "[ . 1 . 2]" 4
109 2 11 VAL MG2 2 94 VAL HB 3.300 . 4.600 2.672 2.308 4.703 0.103 11 0 "[ . 1 . 2]" 4
110 2 11 VAL MG2 2 94 VAL MG1 2.200 . 3.100 2.922 2.113 3.973 0.873 9 1 "[ . +1 . 2]" 4
111 2 11 VAL MG2 2 94 VAL MG2 2.700 . 3.800 3.705 1.964 3.886 0.086 20 0 "[ . 1 . 2]" 4
112 2 11 VAL H 2 95 LEU MD2 4.400 . 6.100 4.961 4.689 5.328 . 0 0 "[ . 1 . 2]" 4
113 2 11 VAL MG2 2 96 LEU MD1 3.200 . 4.500 2.413 2.033 2.654 . 0 0 "[ . 1 . 2]" 4
114 2 12 VAL HA 2 12 VAL MG2 3.200 . 4.500 3.170 3.154 3.185 . 0 0 "[ . 1 . 2]" 4
115 2 12 VAL HB 2 12 VAL MG1 2.400 . 3.300 2.152 2.142 2.156 . 0 0 "[ . 1 . 2]" 4
116 2 12 VAL H 2 12 VAL MG2 3.500 . 4.900 2.181 2.026 2.318 . 0 0 "[ . 1 . 2]" 4
117 2 12 VAL HA 2 13 LYS HA 4.100 2.500 5.700 4.478 4.435 4.524 . 0 0 "[ . 1 . 2]" 4
118 2 12 VAL HA 2 13 LYS QB 4.000 . 5.600 4.042 3.936 4.381 . 0 0 "[ . 1 . 2]" 4
119 2 12 VAL MG1 2 13 LYS H 3.300 . 4.600 3.916 3.735 4.088 . 0 0 "[ . 1 . 2]" 4
120 2 12 VAL MG2 2 13 LYS HA 3.400 . 4.800 3.554 3.330 3.838 . 0 0 "[ . 1 . 2]" 4
121 2 12 VAL MG2 2 13 LYS QB 3.500 . 4.900 4.626 4.435 5.079 0.179 11 0 "[ . 1 . 2]" 4
122 2 12 VAL MG2 2 18 THR MG 2.400 . 3.400 3.537 2.990 4.158 0.758 12 1 "[ . 1 + . 2]" 4
123 2 12 VAL MG2 2 56 PHE QB 4.100 . 5.500 4.576 3.960 5.264 . 0 0 "[ . 1 . 2]" 4
124 2 12 VAL MG2 2 58 HIS QB 4.100 . 5.200 3.203 2.580 4.092 . 0 0 "[ . 1 . 2]" 4
125 2 12 VAL H 2 59 ALA HA 3.600 2.200 5.000 3.336 2.742 3.717 . 0 0 "[ . 1 . 2]" 4
126 2 12 VAL HB 2 90 ILE QG 3.200 . 4.500 2.539 1.966 3.483 . 0 0 "[ . 1 . 2]" 4
127 2 12 VAL HB 2 90 ILE MG 3.200 . 4.500 2.203 1.994 2.762 . 0 0 "[ . 1 . 2]" 4
128 2 12 VAL MG1 2 90 ILE QG 2.500 . 3.500 2.851 2.236 3.244 . 0 0 "[ . 1 . 2]" 4
129 2 12 VAL MG1 2 92 LYS QE 3.400 . 4.700 4.788 4.399 5.148 0.448 1 0 "[ . 1 . 2]" 4
130 2 12 VAL MG1 2 92 LYS QG 3.000 . 4.200 4.107 3.785 4.454 0.254 12 0 "[ . 1 . 2]" 4
131 2 12 VAL HA 2 93 ILE HA 3.800 2.300 5.300 3.306 3.196 3.398 . 0 0 "[ . 1 . 2]" 4
132 2 12 VAL HA 2 93 ILE MD 4.200 . 5.900 4.015 3.712 4.302 . 0 0 "[ . 1 . 2]" 4
133 2 12 VAL HA 2 93 ILE QG 3.700 . 5.200 5.236 4.956 5.400 0.200 14 0 "[ . 1 . 2]" 4
134 2 12 VAL HB 2 93 ILE MD 3.300 . 4.600 3.382 2.939 3.702 . 0 0 "[ . 1 . 2]" 4
135 2 12 VAL MG1 2 93 ILE QG 2.500 . 3.500 3.383 2.941 3.726 0.226 15 0 "[ . 1 . 2]" 4
136 2 12 VAL MG2 2 93 ILE HA 4.200 . 5.900 5.007 4.710 5.295 . 0 0 "[ . 1 . 2]" 4
137 2 12 VAL MG1 2 94 VAL H 3.800 . 5.300 2.980 2.621 3.337 . 0 0 "[ . 1 . 2]" 4
138 2 13 LYS HA 2 13 LYS QG 3.600 . 5.000 2.460 2.185 2.980 . 0 0 "[ . 1 . 2]" 4
139 2 13 LYS QD 2 13 LYS QE 2.100 . 2.900 2.056 1.971 2.108 . 0 0 "[ . 1 . 2]" 4
140 2 13 LYS QE 2 13 LYS QG 3.100 . 4.300 2.249 2.102 2.543 . 0 0 "[ . 1 . 2]" 4
141 2 13 LYS H 2 13 LYS QG 4.100 . 5.700 3.868 2.849 4.229 . 0 0 "[ . 1 . 2]" 4
142 2 13 LYS HA 2 14 PHE QB 4.200 . 5.900 4.158 4.006 4.610 . 0 0 "[ . 1 . 2]" 4
143 2 13 LYS QD 2 56 PHE QB 2.600 . 3.600 3.814 3.537 4.333 0.733 4 1 "[ +. 1 . 2]" 4
144 2 13 LYS QE 2 56 PHE HA 3.100 . 4.300 3.370 2.256 4.184 . 0 0 "[ . 1 . 2]" 4
145 2 13 LYS QG 2 56 PHE HA 3.200 . 4.500 3.568 2.045 4.602 0.102 19 0 "[ . 1 . 2]" 4
146 2 13 LYS H 2 57 THR MG 3.800 . 5.300 4.745 3.991 5.655 0.355 5 0 "[ . 1 . 2]" 4
147 2 13 LYS QB 2 91 ASP QB 3.400 . 4.600 2.772 2.183 3.611 . 0 0 "[ . 1 . 2]" 4
148 2 13 LYS QD 2 91 ASP QB 3.700 . 5.200 4.909 4.053 5.537 0.337 6 0 "[ . 1 . 2]" 4
149 2 13 LYS QG 2 91 ASP QB 3.800 . 5.300 3.822 2.510 5.446 0.146 5 0 "[ . 1 . 2]" 4
150 2 13 LYS QG 2 92 LYS QE 3.900 . 5.500 3.770 2.272 5.489 . 0 0 "[ . 1 . 2]" 4
151 2 14 PHE HA 2 15 LYS HA 3.600 2.200 5.000 4.486 4.388 4.505 . 0 0 "[ . 1 . 2]" 4
152 2 14 PHE HA 2 18 THR HB 3.800 2.300 5.300 4.537 4.329 4.837 . 0 0 "[ . 1 . 2]" 4
153 2 14 PHE QB 2 18 THR HB 4.200 . 5.900 2.319 2.127 3.035 . 0 0 "[ . 1 . 2]" 4
154 2 14 PHE HA 2 57 THR MG 3.000 . 4.200 4.351 4.073 4.533 0.333 5 0 "[ . 1 . 2]" 4
155 2 15 LYS HA 2 15 LYS QE 4.400 . 6.200 5.338 4.252 5.699 . 0 0 "[ . 1 . 2]" 4
156 2 15 LYS HA 2 15 LYS QG 3.600 . 5.000 3.311 3.244 3.366 . 0 0 "[ . 1 . 2]" 4
157 2 15 LYS QE 2 16 GLU QG 3.300 . 4.600 3.716 2.589 4.801 0.201 19 0 "[ . 1 . 2]" 4
158 2 15 LYS H 2 17 ASP HA 3.500 2.100 4.900 5.190 5.076 5.371 0.471 12 0 "[ . 1 . 2]" 4
159 2 15 LYS HA 2 91 ASP QB 4.200 . 5.900 3.668 3.041 4.028 . 0 0 "[ . 1 . 2]" 4
160 2 15 LYS QB 2 91 ASP QB 3.800 . 5.200 2.323 2.146 3.582 . 0 0 "[ . 1 . 2]" 4
161 2 15 LYS QG 2 91 ASP HA 4.200 . 5.900 3.090 2.271 4.738 . 0 0 "[ . 1 . 2]" 4
162 2 15 LYS QG 2 91 ASP QB 4.100 . 5.700 2.561 2.091 3.473 . 0 0 "[ . 1 . 2]" 4
163 2 16 GLU HA 2 16 GLU QB 2.400 . 3.400 2.403 2.350 2.463 . 0 0 "[ . 1 . 2]" 4
164 2 16 GLU HA 2 16 GLU QG 2.800 . 3.900 2.457 2.318 2.927 . 0 0 "[ . 1 . 2]" 4
165 2 16 GLU QB 2 16 GLU QG 2.300 . 3.200 2.095 2.029 2.110 . 0 0 "[ . 1 . 2]" 4
166 2 16 GLU HA 2 17 ASP HA 3.700 2.200 5.200 5.000 4.950 5.027 . 0 0 "[ . 1 . 2]" 4
167 2 16 GLU QB 2 17 ASP HA 3.700 . 5.200 4.460 4.406 4.536 . 0 0 "[ . 1 . 2]" 4
168 2 16 GLU QB 2 17 ASP QB 4.100 . 4.900 3.675 3.308 4.386 . 0 0 "[ . 1 . 2]" 4
169 2 16 GLU QG 2 17 ASP QB 4.500 . 6.300 4.313 2.800 5.740 . 0 0 "[ . 1 . 2]" 4
170 2 16 GLU H 2 17 ASP HA 4.000 2.400 5.600 4.482 4.439 4.648 . 0 0 "[ . 1 . 2]" 4
171 2 17 ASP HA 2 18 THR MG 4.000 . 5.600 5.627 5.448 5.672 0.072 16 0 "[ . 1 . 2]" 4
172 2 18 THR HA 2 18 THR MG 2.800 . 3.900 2.271 2.240 2.460 . 0 0 "[ . 1 . 2]" 4
173 2 18 THR HA 2 19 LYS HA 4.100 2.500 5.700 4.466 4.395 4.487 . 0 0 "[ . 1 . 2]" 4
174 2 18 THR HA 2 19 LYS QB 3.600 . 5.000 4.674 4.322 4.792 . 0 0 "[ . 1 . 2]" 4
175 2 18 THR HA 2 19 LYS QE 4.000 . 5.600 3.082 2.336 4.512 . 0 0 "[ . 1 . 2]" 4
176 2 18 THR HA 2 19 LYS QG 4.200 . 5.900 3.743 3.396 4.741 . 0 0 "[ . 1 . 2]" 4
177 2 18 THR MG 2 19 LYS QB 4.300 . 6.000 4.430 3.719 4.654 . 0 0 "[ . 1 . 2]" 4
178 2 18 THR HA 2 20 VAL MG1 4.000 . 5.600 4.706 4.470 4.937 . 0 0 "[ . 1 . 2]" 4
179 2 18 THR HB 2 20 VAL MG2 3.400 . 4.800 5.064 4.916 5.245 0.445 12 0 "[ . 1 . 2]" 4
180 2 18 THR MG 2 20 VAL HA 3.200 . 4.500 2.769 2.671 2.880 . 0 0 "[ . 1 . 2]" 4
181 2 18 THR MG 2 20 VAL MG2 2.800 . 3.900 4.100 4.009 4.259 0.359 19 0 "[ . 1 . 2]" 4
182 2 18 THR MG 2 89 VAL HB 3.100 . 4.300 2.848 2.291 4.749 0.449 20 0 "[ . 1 . 2]" 4
183 2 19 LYS HA 2 19 LYS QB 2.600 . 3.600 2.233 2.192 2.411 . 0 0 "[ . 1 . 2]" 4
184 2 19 LYS HA 2 19 LYS QE 3.600 . 5.000 4.770 4.288 5.090 0.090 20 0 "[ . 1 . 2]" 4
185 2 19 LYS HA 2 19 LYS QG 3.000 . 4.200 3.044 2.254 3.396 . 0 0 "[ . 1 . 2]" 4
186 2 19 LYS QB 2 19 LYS QE 4.200 . 5.900 3.446 2.045 3.858 . 0 0 "[ . 1 . 2]" 4
187 2 19 LYS QD 2 19 LYS QG 2.300 . 3.200 2.085 2.029 2.106 . 0 0 "[ . 1 . 2]" 4
188 2 19 LYS H 2 19 LYS QE 4.000 . 5.600 2.443 2.007 3.410 . 0 0 "[ . 1 . 2]" 4
189 2 19 LYS HA 2 20 VAL MG2 3.200 . 4.500 3.523 3.432 3.615 . 0 0 "[ . 1 . 2]" 4
190 2 19 LYS QB 2 21 ASP QB 3.800 . 5.300 4.464 3.848 5.152 . 0 0 "[ . 1 . 2]" 4
191 2 19 LYS HA 2 22 GLU QB 3.000 . 4.200 4.507 4.235 4.762 0.562 17 3 "[ . 1 -* + 2]" 4
192 2 19 LYS QB 2 22 GLU QG 3.000 . 4.200 3.137 2.161 4.117 . 0 0 "[ . 1 . 2]" 4
193 2 19 LYS QG 2 22 GLU QB 4.100 . 5.700 2.860 2.124 3.631 . 0 0 "[ . 1 . 2]" 4
194 2 19 LYS H 2 22 GLU QB 3.300 . 4.600 4.552 4.204 4.846 0.246 20 0 "[ . 1 . 2]" 4
195 2 19 LYS QE 2 23 ILE H 3.900 . 5.500 5.510 5.178 5.760 0.260 1 0 "[ . 1 . 2]" 4
196 2 19 LYS QE 2 89 VAL HA 2.900 . 4.000 4.092 3.397 4.556 0.556 8 1 "[ . + 1 . 2]" 4
197 2 20 VAL HA 2 20 VAL MG2 2.500 . 3.500 3.186 3.178 3.190 . 0 0 "[ . 1 . 2]" 4
198 2 20 VAL HB 2 20 VAL MG1 2.300 . 3.200 2.148 2.145 2.154 . 0 0 "[ . 1 . 2]" 4
199 2 20 VAL HB 2 20 VAL MG2 2.400 . 3.400 2.151 2.147 2.155 . 0 0 "[ . 1 . 2]" 4
200 2 20 VAL H 2 20 VAL MG2 2.600 . 3.600 1.862 1.751 1.985 . 0 0 "[ . 1 . 2]" 4
201 2 20 VAL MG2 2 21 ASP HA 3.500 . 4.900 3.289 3.144 3.469 . 0 0 "[ . 1 . 2]" 4
202 2 20 VAL HA 2 23 ILE HB 3.400 . 4.800 2.114 2.038 2.182 . 0 0 "[ . 1 . 2]" 4
203 2 20 VAL HA 2 23 ILE MD 4.100 . 5.700 3.646 2.229 4.565 . 0 0 "[ . 1 . 2]" 4
204 2 20 VAL HA 2 23 ILE QG 3.700 . 4.900 3.266 2.753 3.753 . 0 0 "[ . 1 . 2]" 4
205 2 20 VAL HA 2 23 ILE MG 3.600 . 5.000 3.220 3.028 3.416 . 0 0 "[ . 1 . 2]" 4
206 2 20 VAL MG1 2 23 ILE MD 4.000 . 5.600 4.411 3.016 5.284 . 0 0 "[ . 1 . 2]" 4
207 2 20 VAL MG2 2 23 ILE HB 4.000 . 5.600 4.595 4.532 4.661 . 0 0 "[ . 1 . 2]" 4
208 2 20 VAL MG2 2 23 ILE QG 3.900 . 5.400 5.357 5.065 5.595 0.195 6 0 "[ . 1 . 2]" 4
209 2 20 VAL MG2 2 23 ILE MG 3.300 . 4.600 5.073 4.904 5.145 0.545 6 5 "[ -.+ 1 **. * 2]" 4
210 2 20 VAL HB 2 24 LEU MD1 4.000 . 5.600 4.679 4.317 5.835 0.235 10 0 "[ . 1 . 2]" 4
211 2 20 VAL MG2 2 24 LEU MD1 3.400 . 4.700 4.813 4.706 5.250 0.550 19 2 "[ . - . +2]" 4
212 2 21 ASP HA 2 21 ASP QB 2.600 . 3.500 2.279 2.191 2.394 . 0 0 "[ . 1 . 2]" 4
213 2 21 ASP H 2 21 ASP QB 3.000 . 4.200 2.446 2.394 2.523 . 0 0 "[ . 1 . 2]" 4
214 2 21 ASP HA 2 22 GLU H 3.500 2.100 4.900 3.588 3.571 3.600 . 0 0 "[ . 1 . 2]" 4
215 2 21 ASP HA 2 24 LEU QB 2.900 . 4.000 2.210 2.129 2.307 . 0 0 "[ . 1 . 2]" 4
216 2 21 ASP HA 2 24 LEU MD1 3.000 . 4.200 3.879 3.403 4.251 0.051 11 0 "[ . 1 . 2]" 4
217 2 21 ASP HA 2 24 LEU HG 4.400 2.600 6.200 4.789 4.059 5.064 . 0 0 "[ . 1 . 2]" 4
218 2 21 ASP QB 2 24 LEU HG 4.200 . 5.900 6.053 5.857 6.206 0.306 18 0 "[ . 1 . 2]" 4
219 2 21 ASP HA 2 25 LYS H 3.600 2.200 5.000 4.281 3.693 4.626 . 0 0 "[ . 1 . 2]" 4
220 2 22 GLU HA 2 22 GLU QB 2.400 . 3.300 2.428 2.381 2.463 . 0 0 "[ . 1 . 2]" 4
221 2 22 GLU HA 2 22 GLU QG 2.700 . 3.800 2.403 2.224 2.842 . 0 0 "[ . 1 . 2]" 4
222 2 22 GLU QB 2 22 GLU QG 2.100 . 2.900 2.073 2.008 2.108 . 0 0 "[ . 1 . 2]" 4
223 2 22 GLU HA 2 25 LYS QB 2.300 . 3.200 2.855 2.513 3.236 0.036 6 0 "[ . 1 . 2]" 4
224 2 22 GLU HA 2 25 LYS QD 3.000 . 4.200 3.899 2.698 4.689 0.489 14 0 "[ . 1 . 2]" 4
225 2 22 GLU QB 2 25 LYS QE 3.300 . 4.600 4.657 4.099 4.999 0.399 8 0 "[ . 1 . 2]" 4
226 2 23 ILE HA 2 23 ILE MD 2.900 . 4.000 2.718 2.040 3.786 . 0 0 "[ . 1 . 2]" 4
227 2 23 ILE HA 2 23 ILE MG 3.000 . 4.200 2.583 2.531 2.699 . 0 0 "[ . 1 . 2]" 4
228 2 23 ILE HB 2 23 ILE MD 3.500 . 4.900 2.834 2.295 3.181 . 0 0 "[ . 1 . 2]" 4
229 2 23 ILE MD 2 23 ILE MG 2.600 . 3.600 1.873 1.717 3.223 . 0 0 "[ . 1 . 2]" 4
230 2 23 ILE MG 2 24 LEU H 4.000 . 5.600 2.936 2.654 3.106 . 0 0 "[ . 1 . 2]" 4
231 2 23 ILE QG 2 26 GLY HA3 4.600 . 6.400 5.633 5.158 6.089 . 0 0 "[ . 1 . 2]" 4
232 2 23 ILE MG 2 27 LEU QB 3.400 . 4.800 3.466 2.708 4.041 . 0 0 "[ . 1 . 2]" 4
233 2 23 ILE MG 2 27 LEU MD1 3.300 . 4.600 4.338 2.202 5.019 0.419 2 0 "[ . 1 . 2]" 4
234 2 23 ILE MD 2 89 VAL MG2 2.800 . 3.900 2.200 1.961 2.542 . 0 0 "[ . 1 . 2]" 4
235 2 24 LEU HA 2 24 LEU MD1 2.700 . 3.800 2.297 2.159 3.219 . 0 0 "[ . 1 . 2]" 4
236 2 24 LEU HA 2 24 LEU HG 2.900 . 4.100 2.745 2.507 3.670 . 0 0 "[ . 1 . 2]" 4
237 2 24 LEU H 2 24 LEU MD1 3.800 . 5.300 3.836 3.684 3.940 . 0 0 "[ . 1 . 2]" 4
238 2 24 LEU H 2 24 LEU HG 3.700 . 5.200 4.464 4.433 4.617 . 0 0 "[ . 1 . 2]" 4
239 2 24 LEU HA 2 25 LYS HA 3.900 2.400 5.400 4.828 4.801 4.859 . 0 0 "[ . 1 . 2]" 4
240 2 24 LEU HG 2 25 LYS HA 3.800 2.300 5.300 4.331 3.971 5.352 0.052 19 0 "[ . 1 . 2]" 4
241 2 24 LEU HG 2 26 GLY H 3.900 2.300 5.500 5.506 5.160 6.451 0.951 10 2 "[ . + . -2]" 4
242 2 24 LEU HA 2 27 LEU QB 3.800 . 5.300 2.366 2.057 2.959 . 0 0 "[ . 1 . 2]" 4
243 2 24 LEU HA 2 27 LEU MD1 3.600 . 5.100 3.824 2.259 4.977 . 0 0 "[ . 1 . 2]" 4
244 2 24 LEU HA 2 27 LEU MD2 4.200 . 5.900 4.464 3.260 5.050 . 0 0 "[ . 1 . 2]" 4
245 2 24 LEU MD1 2 27 LEU QB 3.200 . 4.500 2.863 2.570 3.767 . 0 0 "[ . 1 . 2]" 4
246 2 24 LEU HG 2 27 LEU QB 4.200 . 5.400 3.497 2.787 5.214 . 0 0 "[ . 1 . 2]" 4
247 2 24 LEU HA 2 28 GLU QG 3.600 . 5.100 4.530 4.023 4.910 . 0 0 "[ . 1 . 2]" 4
248 2 24 LEU MD1 2 28 GLU QB 4.000 . 5.600 5.147 4.135 5.991 0.391 11 0 "[ . 1 . 2]" 4
249 2 24 LEU MD1 2 28 GLU QG 4.000 . 5.600 4.351 2.367 5.395 . 0 0 "[ . 1 . 2]" 4
250 2 25 LYS HA 2 25 LYS QD 2.900 . 4.100 4.005 3.500 4.219 0.119 8 0 "[ . 1 . 2]" 4
251 2 25 LYS HA 2 25 LYS QE 4.000 . 5.600 3.627 2.578 4.766 . 0 0 "[ . 1 . 2]" 4
252 2 25 LYS HA 2 25 LYS QG 2.900 . 4.100 2.362 1.938 3.368 . 0 0 "[ . 1 . 2]" 4
253 2 25 LYS H 2 25 LYS HA 2.700 . 3.800 2.864 2.847 2.877 . 0 0 "[ . 1 . 2]" 4
254 2 25 LYS QB 2 25 LYS QE 2.900 . 4.100 2.336 2.082 3.613 . 0 0 "[ . 1 . 2]" 4
255 2 25 LYS QD 2 25 LYS QG 2.200 . 3.100 2.042 2.027 2.091 . 0 0 "[ . 1 . 2]" 4
256 2 25 LYS H 2 25 LYS QD 3.500 . 4.900 4.386 3.510 4.746 . 0 0 "[ . 1 . 2]" 4
257 2 25 LYS QE 2 25 LYS QG 3.200 . 4.500 2.267 2.107 2.812 . 0 0 "[ . 1 . 2]" 4
258 2 25 LYS QE 2 26 GLY H 4.200 . 5.900 3.339 2.815 4.351 . 0 0 "[ . 1 . 2]" 4
259 2 25 LYS QE 2 27 LEU QB 4.200 . 5.900 6.051 5.730 6.346 0.446 4 0 "[ . 1 . 2]" 4
260 2 25 LYS QB 2 28 GLU QG 3.400 . 4.800 4.256 3.749 4.958 0.158 7 0 "[ . 1 . 2]" 4
261 2 25 LYS QE 2 28 GLU QG 3.300 . 4.600 4.632 4.218 5.023 0.423 8 0 "[ . 1 . 2]" 4
262 2 26 GLY HA3 2 27 LEU H 3.900 2.300 5.500 2.718 2.643 3.011 . 0 0 "[ . 1 . 2]" 4
263 2 26 GLY HA2 2 27 LEU H 4.300 2.600 6.000 3.568 3.479 3.582 . 0 0 "[ . 1 . 2]" 4
264 2 26 GLY HA3 2 29 ASN QB 3.400 . 4.800 3.841 3.473 4.554 . 0 0 "[ . 1 . 2]" 4
265 2 26 GLY HA2 2 29 ASN QB 4.100 . 5.800 2.478 2.023 3.247 . 0 0 "[ . 1 . 2]" 4
266 2 27 LEU HA 2 27 LEU MD1 3.400 . 4.800 3.161 2.114 3.823 . 0 0 "[ . 1 . 2]" 4
267 2 27 LEU HA 2 27 LEU MD2 2.900 . 4.000 2.458 2.070 3.049 . 0 0 "[ . 1 . 2]" 4
268 2 27 LEU HA 2 27 LEU HG 3.700 . 5.200 2.760 2.180 3.604 . 0 0 "[ . 1 . 2]" 4
269 2 27 LEU QB 2 27 LEU MD1 2.900 . 4.100 2.164 2.084 2.314 . 0 0 "[ . 1 . 2]" 4
270 2 27 LEU QB 2 27 LEU MD2 2.900 . 4.100 2.162 2.040 2.295 . 0 0 "[ . 1 . 2]" 4
271 2 27 LEU H 2 27 LEU MD1 3.700 . 5.200 4.134 3.314 4.285 . 0 0 "[ . 1 . 2]" 4
272 2 27 LEU H 2 27 LEU MD2 3.700 . 5.200 3.822 2.058 4.341 . 0 0 "[ . 1 . 2]" 4
273 2 27 LEU QB 2 28 GLU HA 3.400 . 4.800 3.926 3.796 4.065 . 0 0 "[ . 1 . 2]" 4
274 2 27 LEU QB 2 28 GLU QG 3.500 . 4.700 3.644 3.276 4.304 . 0 0 "[ . 1 . 2]" 4
275 2 27 LEU HA 2 30 LEU QB 4.200 . 4.800 2.159 1.944 2.347 . 0 0 "[ . 1 . 2]" 4
276 2 27 LEU HA 2 30 LEU MD1 3.100 . 4.300 4.496 3.242 4.869 0.569 19 2 "[ . 1 .- +2]" 4
277 2 27 LEU HA 2 30 LEU MD2 3.300 . 4.600 3.474 2.398 5.043 0.443 15 0 "[ . 1 . 2]" 4
278 2 27 LEU HA 2 30 LEU HG 3.400 . 4.800 3.612 2.935 4.132 . 0 0 "[ . 1 . 2]" 4
279 2 27 LEU MD1 2 30 LEU MD2 3.500 . 4.900 4.873 3.668 5.364 0.464 7 0 "[ . 1 . 2]" 4
280 2 27 LEU MD2 2 30 LEU MD1 3.000 . 4.200 4.128 2.310 4.480 0.280 13 0 "[ . 1 . 2]" 4
281 2 27 LEU MD2 2 30 LEU MD2 3.500 . 4.900 4.175 3.624 4.845 . 0 0 "[ . 1 . 2]" 4
282 2 27 LEU HG 2 30 LEU QB 3.700 . 5.200 3.796 2.625 4.991 . 0 0 "[ . 1 . 2]" 4
283 2 27 LEU HG 2 30 LEU MD1 4.000 . 5.600 5.346 4.336 6.273 0.673 5 2 "[ + 1 . - 2]" 4
284 2 27 LEU MD1 2 31 VAL MG2 3.700 . 5.200 3.921 2.174 5.511 0.311 7 0 "[ . 1 . 2]" 4
285 2 27 LEU MD2 2 78 LEU MD2 4.100 . 5.700 5.621 5.285 5.931 0.231 11 0 "[ . 1 . 2]" 4
286 2 28 GLU HA 2 28 GLU QG 3.600 . 3.800 2.909 2.321 3.379 . 0 0 "[ . 1 . 2]" 4
287 2 28 GLU H 2 28 GLU QB 3.700 . 5.200 2.536 2.356 2.647 . 0 0 "[ . 1 . 2]" 4
288 2 28 GLU HA 2 29 ASN H 3.700 2.200 5.200 3.533 3.501 3.555 . 0 0 "[ . 1 . 2]" 4
289 2 28 GLU HA 2 31 VAL HB 3.500 2.100 4.900 3.297 2.938 3.701 . 0 0 "[ . 1 . 2]" 4
290 2 28 GLU HA 2 31 VAL MG2 2.800 . 3.900 2.444 2.141 2.911 . 0 0 "[ . 1 . 2]" 4
291 2 29 ASN HA 2 30 LEU HA 3.700 2.200 5.200 4.948 4.912 4.968 . 0 0 "[ . 1 . 2]" 4
292 2 29 ASN QB 2 30 LEU HA 4.300 . 6.000 4.307 3.808 4.766 . 0 0 "[ . 1 . 2]" 4
293 2 29 ASN QB 2 30 LEU QB 3.500 . 4.900 4.336 3.970 4.797 . 0 0 "[ . 1 . 2]" 4
294 2 29 ASN HA 2 78 LEU MD1 3.500 . 4.900 4.640 3.799 5.427 0.527 17 1 "[ . 1 . + 2]" 4
295 2 29 ASN QB 2 78 LEU QB 4.100 . 5.700 5.500 4.328 6.183 0.483 3 0 "[ . 1 . 2]" 4
296 2 29 ASN HD22 2 78 LEU MD1 3.200 . 4.500 3.348 1.567 4.789 0.289 14 0 "[ . 1 . 2]" 4
297 2 30 LEU HA 2 30 LEU MD1 2.800 . 3.900 2.352 2.043 3.720 . 0 0 "[ . 1 . 2]" 4
298 2 30 LEU HA 2 30 LEU MD2 3.600 . 5.000 2.120 1.944 2.284 . 0 0 "[ . 1 . 2]" 4
299 2 30 LEU HA 2 30 LEU HG 2.900 . 4.000 3.552 2.599 3.649 . 0 0 "[ . 1 . 2]" 4
300 2 30 LEU QB 2 30 LEU MD1 2.800 . 3.900 2.244 2.121 2.354 . 0 0 "[ . 1 . 2]" 4
301 2 30 LEU QB 2 30 LEU HG 2.500 . 3.500 2.194 2.183 2.300 . 0 0 "[ . 1 . 2]" 4
302 2 30 LEU MD1 2 30 LEU MD2 1.800 . 2.500 1.996 1.956 2.064 . 0 0 "[ . 1 . 2]" 4
303 2 30 LEU H 2 30 LEU MD2 3.600 . 5.100 2.964 1.938 4.053 . 0 0 "[ . 1 . 2]" 4
304 2 30 LEU H 2 30 LEU HG 4.200 . 5.900 4.293 3.652 4.598 . 0 0 "[ . 1 . 2]" 4
305 2 30 LEU HA 2 31 VAL H 3.800 2.300 5.300 3.578 3.566 3.588 . 0 0 "[ . 1 . 2]" 4
306 2 30 LEU QB 2 31 VAL HA 3.600 . 5.100 3.839 3.720 4.019 . 0 0 "[ . 1 . 2]" 4
307 2 30 LEU QB 2 31 VAL MG2 3.200 . 4.500 3.195 2.987 3.386 . 0 0 "[ . 1 . 2]" 4
308 2 30 LEU MD2 2 32 SER QB 3.600 . 5.000 4.997 4.575 5.341 0.341 9 0 "[ . 1 . 2]" 4
309 2 30 LEU HA 2 33 GLN QB 4.400 . 6.200 4.432 3.540 4.937 . 0 0 "[ . 1 . 2]" 4
310 2 30 LEU HA 2 33 GLN QG 4.100 . 5.800 3.670 2.972 5.201 . 0 0 "[ . 1 . 2]" 4
311 2 30 LEU MD1 2 33 GLN QB 2.900 . 4.100 3.521 2.741 4.627 0.527 15 1 "[ . 1 + 2]" 4
312 2 30 LEU HG 2 33 GLN QG 4.100 . 5.700 5.681 5.223 6.206 0.506 3 1 "[ + . 1 . 2]" 4
313 2 30 LEU MD1 2 41 GLU QG 4.000 . 5.600 4.470 3.307 5.177 . 0 0 "[ . 1 . 2]" 4
314 2 30 LEU MD1 2 62 MET QG 3.500 . 4.900 5.037 4.757 5.208 0.308 13 0 "[ . 1 . 2]" 4
315 2 30 LEU MD1 2 73 PHE HA 3.500 . 4.900 4.250 3.568 4.982 0.082 18 0 "[ . 1 . 2]" 4
316 2 30 LEU HA 2 78 LEU QB 3.600 . 5.100 4.307 3.967 4.533 . 0 0 "[ . 1 . 2]" 4
317 2 30 LEU HA 2 78 LEU MD1 3.500 . 4.900 4.078 3.318 4.577 . 0 0 "[ . 1 . 2]" 4
318 2 30 LEU MD1 2 78 LEU QB 3.300 . 4.600 4.120 3.174 4.940 0.340 15 0 "[ . 1 . 2]" 4
319 2 30 LEU MD1 2 78 LEU MD2 2.800 . 3.900 2.719 2.131 3.725 . 0 0 "[ . 1 . 2]" 4
320 2 30 LEU MD2 2 78 LEU HA 4.300 . 6.000 5.108 4.786 5.552 . 0 0 "[ . 1 . 2]" 4
321 2 30 LEU MD2 2 78 LEU QB 3.400 . 4.700 3.546 2.952 3.970 . 0 0 "[ . 1 . 2]" 4
322 2 30 LEU MD2 2 78 LEU MD1 3.600 . 5.000 3.810 3.260 4.459 . 0 0 "[ . 1 . 2]" 4
323 2 30 LEU MD2 2 78 LEU HG 3.900 . 5.500 3.379 2.462 4.314 . 0 0 "[ . 1 . 2]" 4
324 2 30 LEU HG 2 78 LEU MD2 2.700 . 3.800 4.105 2.263 4.508 0.708 12 4 "[* * - + . 2]" 4
325 2 30 LEU H 2 78 LEU MD2 3.300 . 4.600 3.281 2.864 3.641 . 0 0 "[ . 1 . 2]" 4
326 2 30 LEU MD1 2 79 HIS HA 3.300 . 4.600 4.577 3.646 5.047 0.447 5 0 "[ . 1 . 2]" 4
327 2 30 LEU MD1 2 79 HIS QB 4.000 . 5.300 4.095 3.063 4.592 . 0 0 "[ . 1 . 2]" 4
328 2 30 LEU MD2 2 79 HIS HA 2.900 . 4.100 3.426 2.638 4.452 0.352 15 0 "[ . 1 . 2]" 4
329 2 30 LEU MD2 2 79 HIS H 3.500 . 4.900 4.724 3.749 5.273 0.373 7 0 "[ . 1 . 2]" 4
330 2 31 VAL HA 2 31 VAL MG1 2.500 . 3.500 2.361 2.303 2.421 . 0 0 "[ . 1 . 2]" 4
331 2 31 VAL MG1 2 31 VAL MG2 1.800 . 2.500 2.071 1.957 2.084 . 0 0 "[ . 1 . 2]" 4
332 2 31 VAL H 2 31 VAL MG1 2.900 . 4.100 3.776 3.764 3.788 . 0 0 "[ . 1 . 2]" 4
333 2 31 VAL MG1 2 32 SER HA 3.500 . 4.900 3.823 3.433 4.166 . 0 0 "[ . 1 . 2]" 4
334 2 31 VAL MG1 2 32 SER H 3.400 . 4.800 3.717 3.394 3.963 . 0 0 "[ . 1 . 2]" 4
335 2 31 VAL HA 2 34 ILE HB 3.800 2.300 5.300 2.829 2.307 4.017 . 0 0 "[ . 1 . 2]" 4
336 2 32 SER HA 2 32 SER QB 2.300 . 3.200 2.367 2.202 2.443 . 0 0 "[ . 1 . 2]" 4
337 2 32 SER QB 2 33 GLN HA 3.000 . 4.200 4.129 3.864 4.423 0.223 9 0 "[ . 1 . 2]" 4
338 2 32 SER QB 2 33 GLN QG 4.000 . 5.600 3.538 2.837 5.587 . 0 0 "[ . 1 . 2]" 4
339 2 32 SER QB 2 78 LEU HG 4.500 . 6.300 5.798 5.101 6.441 0.141 9 0 "[ . 1 . 2]" 4
340 2 33 GLN HA 2 33 GLN QG 2.800 . 3.500 3.063 2.347 3.417 . 0 0 "[ . 1 . 2]" 4
341 2 33 GLN HA 2 34 ILE QG 3.500 . 4.900 4.927 4.494 5.149 0.249 17 0 "[ . 1 . 2]" 4
342 2 33 GLN H 2 34 ILE HB 4.100 2.500 5.700 5.224 4.988 5.523 . 0 0 "[ . 1 . 2]" 4
343 2 33 GLN QG 2 74 THR MG 4.400 . 6.200 6.485 6.350 6.708 0.508 20 1 "[ . 1 . +]" 4
344 2 33 GLN QB 2 78 LEU MD2 3.200 . 4.500 4.116 3.287 4.821 0.321 18 0 "[ . 1 . 2]" 4
345 2 33 GLN QG 2 78 LEU MD1 3.400 . 4.500 4.553 4.088 4.836 0.336 4 0 "[ . 1 . 2]" 4
346 2 34 ILE HA 2 34 ILE MD 3.300 . 4.600 3.140 2.015 3.900 . 0 0 "[ . 1 . 2]" 4
347 2 34 ILE HA 2 34 ILE QG 3.300 . 4.600 2.682 2.397 3.083 . 0 0 "[ . 1 . 2]" 4
348 2 34 ILE HA 2 34 ILE MG 2.800 . 3.900 2.175 2.101 2.261 . 0 0 "[ . 1 . 2]" 4
349 2 34 ILE HB 2 34 ILE MD 2.800 . 3.900 2.624 2.208 3.192 . 0 0 "[ . 1 . 2]" 4
350 2 34 ILE MD 2 34 ILE MG 2.500 . 3.500 1.919 1.783 2.076 . 0 0 "[ . 1 . 2]" 4
351 2 34 ILE QG 2 34 ILE MG 2.800 . 3.900 2.259 2.148 2.420 . 0 0 "[ . 1 . 2]" 4
352 2 34 ILE MG 2 35 ASP HA 3.700 . 5.200 4.330 4.109 4.615 . 0 0 "[ . 1 . 2]" 4
353 2 34 ILE QG 2 36 THR H 4.200 . 5.700 4.918 4.641 5.566 . 0 0 "[ . 1 . 2]" 4
354 2 34 ILE MG 2 36 THR MG 3.000 . 4.200 3.505 1.961 4.367 0.167 16 0 "[ . 1 . 2]" 4
355 2 34 ILE HB 2 37 VAL MG1 3.500 . 4.900 4.914 4.318 5.163 0.263 11 0 "[ . 1 . 2]" 4
356 2 34 ILE MG 2 37 VAL MG1 2.800 . 3.900 3.512 2.832 4.076 0.176 3 0 "[ . 1 . 2]" 4
357 2 35 ASP QB 2 36 THR HA 3.700 . 5.200 4.286 4.016 4.589 . 0 0 "[ . 1 . 2]" 4
358 2 35 ASP H 2 36 THR MG 4.200 . 5.900 3.409 3.214 3.830 . 0 0 "[ . 1 . 2]" 4
359 2 35 ASP HA 2 37 VAL MG1 3.900 . 5.400 3.352 3.099 3.581 . 0 0 "[ . 1 . 2]" 4
360 2 35 ASP HA 2 37 VAL MG2 3.700 . 5.200 4.887 4.605 5.245 0.045 1 0 "[ . 1 . 2]" 4
361 2 36 THR HA 2 36 THR MG 2.300 . 3.200 2.671 2.286 3.199 . 0 0 "[ . 1 . 2]" 4
362 2 36 THR H 2 37 VAL HA 4.000 2.400 5.600 4.773 4.627 4.898 . 0 0 "[ . 1 . 2]" 4
363 2 36 THR MG 2 69 GLY HA2 3.000 . 4.200 3.912 2.956 4.371 0.171 8 0 "[ . 1 . 2]" 4
364 2 37 VAL HA 2 37 VAL MG1 3.200 . 4.500 2.335 2.265 2.436 . 0 0 "[ . 1 . 2]" 4
365 2 37 VAL HA 2 37 VAL MG2 3.100 . 4.300 3.190 3.188 3.192 . 0 0 "[ . 1 . 2]" 4
366 2 37 VAL HA 2 38 LYS HA 4.500 2.700 6.300 4.488 4.435 4.508 . 0 0 "[ . 1 . 2]" 4
367 2 37 VAL HA 2 38 LYS QB 4.500 . 6.300 4.995 4.839 5.129 . 0 0 "[ . 1 . 2]" 4
368 2 37 VAL HA 2 38 LYS QG 3.500 . 4.900 4.921 4.583 5.249 0.349 10 0 "[ . 1 . 2]" 4
369 2 38 LYS HA 2 38 LYS QE 3.200 . 4.500 4.422 4.088 4.638 0.138 6 0 "[ . 1 . 2]" 4
370 2 38 LYS HA 2 38 LYS QG 2.300 . 3.200 2.533 2.148 3.313 0.113 8 0 "[ . 1 . 2]" 4
371 2 38 LYS QB 2 38 LYS QD 2.900 . 4.100 2.180 2.114 2.398 . 0 0 "[ . 1 . 2]" 4
372 2 38 LYS QD 2 38 LYS QE 2.200 . 3.100 2.078 2.000 2.108 . 0 0 "[ . 1 . 2]" 4
373 2 38 LYS H 2 38 LYS QE 3.500 . 4.900 4.727 3.978 5.197 0.297 7 0 "[ . 1 . 2]" 4
374 2 38 LYS HA 2 39 SER QB 3.800 . 5.300 4.683 4.440 5.168 . 0 0 "[ . 1 . 2]" 4
375 2 38 LYS QD 2 65 GLU QB 3.500 . 4.900 3.241 2.287 4.253 . 0 0 "[ . 1 . 2]" 4
376 2 39 SER HA 2 40 PHE QB 3.500 . 4.900 4.332 3.859 4.411 . 0 0 "[ . 1 . 2]" 4
377 2 39 SER QB 2 40 PHE H 3.400 . 4.800 2.759 2.223 3.315 . 0 0 "[ . 1 . 2]" 4
378 2 39 SER H 2 40 PHE HA 3.700 2.200 5.200 4.596 4.524 5.337 0.137 10 0 "[ . 1 . 2]" 4
379 2 39 SER QB 2 64 PHE HA 3.600 . 5.000 2.495 2.067 4.319 . 0 0 "[ . 1 . 2]" 4
380 2 40 PHE HA 2 62 MET HA 3.800 2.300 5.300 5.430 5.249 5.521 0.221 16 0 "[ . 1 . 2]" 4
381 2 40 PHE HA 2 62 MET QG 4.600 . 6.300 6.356 6.204 6.440 0.140 7 0 "[ . 1 . 2]" 4
382 2 40 PHE QB 2 63 THR MG 3.600 . 5.000 3.616 3.419 3.791 . 0 0 "[ . 1 . 2]" 4
383 2 41 GLU QB 2 61 SER HA 4.600 . 6.400 6.393 6.085 6.568 0.168 8 0 "[ . 1 . 2]" 4
384 2 41 GLU QG 2 61 SER QB 4.100 . 5.700 5.714 5.553 5.883 0.183 10 0 "[ . 1 . 2]" 4
385 2 41 GLU HA 2 62 MET QB 3.400 . 4.800 4.309 3.738 4.716 . 0 0 "[ . 1 . 2]" 4
386 2 41 GLU QB 2 62 MET HA 3.700 . 5.200 3.908 3.754 4.043 . 0 0 "[ . 1 . 2]" 4
387 2 41 GLU QB 2 62 MET QG 2.900 . 4.100 2.977 2.670 3.156 . 0 0 "[ . 1 . 2]" 4
388 2 41 GLU QG 2 62 MET HA 4.000 . 5.600 2.448 2.281 2.612 . 0 0 "[ . 1 . 2]" 4
389 2 41 GLU QG 2 63 THR HA 4.200 . 5.900 5.894 5.598 6.087 0.187 4 0 "[ . 1 . 2]" 4
390 2 43 GLY HA3 2 59 ALA H 4.500 2.700 6.300 5.315 4.301 6.089 . 0 0 "[ . 1 . 2]" 4
391 2 43 GLY HA3 2 60 PHE HA 4.000 2.400 5.600 4.204 3.694 4.820 . 0 0 "[ . 1 . 2]" 4
392 2 44 GLU HA 2 58 HIS HA 3.400 . 4.800 5.210 5.053 5.357 0.557 3 2 "[ + . - 1 . 2]" 4
393 2 45 ASP HA 2 46 LYS HA 3.600 2.200 5.000 4.450 4.346 4.555 . 0 0 "[ . 1 . 2]" 4
394 2 46 LYS HA 2 46 LYS QD 2.600 . 3.600 3.591 2.814 4.293 0.693 20 2 "[ . 1 - . +]" 4
395 2 46 LYS HA 2 46 LYS QE 4.000 . 5.600 4.893 3.832 5.578 . 0 0 "[ . 1 . 2]" 4
396 2 46 LYS HA 2 46 LYS QG 3.000 . 4.200 3.190 2.096 3.399 . 0 0 "[ . 1 . 2]" 4
397 2 46 LYS QB 2 46 LYS QD 2.300 . 3.200 2.251 1.917 2.757 . 0 0 "[ . 1 . 2]" 4
398 2 46 LYS H 2 46 LYS QD 4.100 . 5.700 2.161 1.600 4.242 . 0 0 "[ . 1 . 2]" 4
399 2 46 LYS QD 2 46 LYS QE 2.100 . 2.900 2.047 1.979 2.106 . 0 0 "[ . 1 . 2]" 4
400 2 46 LYS H 2 46 LYS QE 4.200 . 5.900 3.880 3.126 4.489 . 0 0 "[ . 1 . 2]" 4
401 2 46 LYS HA 2 47 GLU H 3.400 . 4.800 2.295 2.163 2.480 . 0 0 "[ . 1 . 2]" 4
402 2 46 LYS H 2 47 GLU QB 4.200 . 5.900 5.290 4.126 5.932 0.032 19 0 "[ . 1 . 2]" 4
403 2 46 LYS QD 2 55 GLY HA3 4.300 . 6.000 5.805 4.215 6.467 0.467 6 0 "[ . 1 . 2]" 4
404 2 46 LYS QD 2 55 GLY HA2 4.100 2.700 5.800 4.819 2.648 5.805 0.052 2 0 "[ . 1 . 2]" 4
405 2 46 LYS QE 2 56 PHE HA 3.600 . 5.000 4.264 3.723 4.805 . 0 0 "[ . 1 . 2]" 4
406 2 46 LYS QD 2 57 THR HB 4.100 . 5.700 4.697 3.989 5.896 0.196 13 0 "[ . 1 . 2]" 4
407 2 46 LYS QD 2 57 THR MG 3.200 . 4.500 4.052 3.019 5.083 0.583 13 1 "[ . 1 + . 2]" 4
408 2 46 LYS QE 2 57 THR HB 4.100 . 5.700 5.026 4.262 5.891 0.191 4 0 "[ . 1 . 2]" 4
409 2 46 LYS QE 2 57 THR MG 3.400 . 4.800 4.090 2.856 5.131 0.331 6 0 "[ . 1 . 2]" 4
410 2 46 LYS QG 2 57 THR HA 4.400 . 6.200 4.042 2.188 5.405 . 0 0 "[ . 1 . 2]" 4
411 2 46 LYS QG 2 57 THR HB 4.400 . 6.200 6.084 4.305 7.004 0.804 14 3 "[ . * - +. 2]" 4
412 2 47 GLU HA 2 47 GLU QG 2.900 . 4.100 2.500 2.151 3.314 . 0 0 "[ . 1 . 2]" 4
413 2 48 SER HA 2 49 HIS QB 4.000 . 5.200 4.684 3.878 5.296 0.096 17 0 "[ . 1 . 2]" 4
414 2 48 SER HA 2 52 LEU QB 3.700 . 5.200 5.204 4.221 6.084 0.884 19 3 "[ *- 1 . +2]" 4
415 2 48 SER HA 2 52 LEU MD1 3.900 . 5.500 5.379 4.576 6.041 0.541 19 1 "[ . 1 . +2]" 4
416 2 49 HIS QB 2 50 ASP HA 4.100 . 5.800 4.731 4.502 5.059 . 0 0 "[ . 1 . 2]" 4
417 2 49 HIS HA 2 51 MET H 3.500 2.100 4.900 4.086 3.785 4.518 . 0 0 "[ . 1 . 2]" 4
418 2 49 HIS HA 2 52 LEU QB 3.600 . 5.100 4.875 4.591 5.131 0.031 2 0 "[ . 1 . 2]" 4
419 2 49 HIS QB 2 52 LEU QB 2.600 . 3.600 2.434 2.108 3.134 . 0 0 "[ . 1 . 2]" 4
420 2 49 HIS QB 2 52 LEU MD1 3.300 . 4.600 2.471 2.147 3.068 . 0 0 "[ . 1 . 2]" 4
421 2 51 MET HA 2 51 MET QB 2.600 . 3.600 2.344 2.168 2.420 . 0 0 "[ . 1 . 2]" 4
422 2 51 MET HA 2 51 MET QG 2.900 . 4.000 2.625 2.222 3.297 . 0 0 "[ . 1 . 2]" 4
423 2 51 MET HA 2 53 ARG H 3.700 2.200 5.200 4.798 3.945 5.603 0.403 5 0 "[ . 1 . 2]" 4
424 2 52 LEU HA 2 52 LEU MD1 3.100 . 4.300 3.829 3.772 3.909 . 0 0 "[ . 1 . 2]" 4
425 2 52 LEU HA 2 52 LEU MD2 2.300 . 3.200 2.127 2.043 2.255 . 0 0 "[ . 1 . 2]" 4
426 2 52 LEU QB 2 52 LEU MD1 2.700 . 3.200 2.100 2.086 2.107 . 0 0 "[ . 1 . 2]" 4
427 2 52 LEU QB 2 52 LEU MD2 . . 3.100 2.246 2.191 2.294 . 0 0 "[ . 1 . 2]" 4
428 2 52 LEU MD1 2 52 LEU MD2 2.100 . 2.900 2.070 2.051 2.079 . 0 0 "[ . 1 . 2]" 4
429 2 54 GLN HA 2 54 GLN QG 2.600 . 3.700 2.422 2.089 2.980 . 0 0 "[ . 1 . 2]" 4
430 2 54 GLN HA 2 55 GLY H 3.200 . 4.500 3.232 2.929 3.418 . 0 0 "[ . 1 . 2]" 4
431 2 57 THR HA 2 57 THR MG 2.900 . 4.000 2.628 2.326 3.195 . 0 0 "[ . 1 . 2]" 4
432 2 57 THR HB 2 58 HIS QB 4.200 . 5.900 4.114 3.404 4.848 . 0 0 "[ . 1 . 2]" 4
433 2 57 THR HB 2 58 HIS H 3.600 2.200 5.000 3.272 2.096 3.869 0.104 5 0 "[ . 1 . 2]" 4
434 2 58 HIS HA 2 59 ALA MB 3.700 . 5.200 3.915 3.850 3.991 . 0 0 "[ . 1 . 2]" 4
435 2 60 PHE HA 2 61 SER H 3.300 . 4.600 2.212 2.197 2.229 . 0 0 "[ . 1 . 2]" 4
436 2 62 MET HA 2 62 MET QG 3.800 . 5.000 2.365 2.294 2.476 . 0 0 "[ . 1 . 2]" 4
437 2 63 THR HA 2 63 THR MG 2.800 . 3.900 2.363 2.270 2.487 . 0 0 "[ . 1 . 2]" 4
438 2 63 THR HA 2 64 PHE HA 3.600 2.200 5.000 4.486 4.475 4.504 . 0 0 "[ . 1 . 2]" 4
439 2 63 THR MG 2 64 PHE HA 2.900 . 4.000 3.809 3.597 3.998 . 0 0 "[ . 1 . 2]" 4
440 2 63 THR MG 2 100 VAL HB 3.400 . 4.800 4.015 3.309 4.930 0.130 5 0 "[ . 1 . 2]" 4
441 2 63 THR MG 2 100 VAL QG 2.600 . 3.600 3.121 2.409 3.822 0.222 15 0 "[ . 1 . 2]" 4
442 2 64 PHE HA 2 65 GLU QB 3.500 . 4.900 4.290 4.203 4.562 . 0 0 "[ . 1 . 2]" 4
443 2 65 GLU HA 2 65 GLU QG 2.800 . 3.900 2.506 2.240 3.485 . 0 0 "[ . 1 . 2]" 4
444 2 66 ASN QB 2 70 TYR H 4.100 . 5.300 5.450 5.274 5.709 0.409 12 0 "[ . 1 . 2]" 4
445 2 67 LYS HA 2 67 LYS QG 3.600 . 5.000 2.625 2.292 3.300 . 0 0 "[ . 1 . 2]" 4
446 2 67 LYS QB 2 67 LYS QD 2.800 . 3.900 2.256 2.135 2.354 . 0 0 "[ . 1 . 2]" 4
447 2 67 LYS QE 2 67 LYS QG 3.300 . 4.600 2.391 2.137 2.900 . 0 0 "[ . 1 . 2]" 4
448 2 67 LYS HA 2 70 TYR QB 3.600 . 5.100 2.480 2.246 2.732 . 0 0 "[ . 1 . 2]" 4
449 2 67 LYS QB 2 71 VAL HA 4.400 . 6.200 6.018 5.787 6.494 0.294 12 0 "[ . 1 . 2]" 4
450 2 67 LYS QB 2 71 VAL QG 3.500 . 4.900 3.066 2.823 3.443 . 0 0 "[ . 1 . 2]" 4
451 2 67 LYS QD 2 71 VAL QG 3.600 . 5.000 4.383 3.213 4.880 . 0 0 "[ . 1 . 2]" 4
452 2 67 LYS QE 2 71 VAL QG 3.200 . 4.500 3.935 2.946 4.595 0.095 15 0 "[ . 1 . 2]" 4
453 2 67 LYS QG 2 71 VAL QG 3.800 . 5.300 4.059 2.167 4.733 . 0 0 "[ . 1 . 2]" 4
454 2 68 ASP HA 2 71 VAL QG 3.000 . 4.200 2.185 2.114 2.400 . 0 0 "[ . 1 . 2]" 4
455 2 68 ASP QB 2 71 VAL QG 3.400 . 4.800 3.648 3.435 3.824 . 0 0 "[ . 1 . 2]" 4
456 2 69 GLY HA3 2 72 ALA MB 3.100 . 4.300 3.717 3.630 3.794 . 0 0 "[ . 1 . 2]" 4
457 2 69 GLY HA2 2 72 ALA MB 3.700 . 5.200 2.327 2.248 2.412 . 0 0 "[ . 1 . 2]" 4
458 2 70 TYR QB 2 74 THR MG 3.600 . 5.000 4.401 3.915 4.682 . 0 0 "[ . 1 . 2]" 4
459 2 71 VAL HA 2 71 VAL QG 2.600 . 3.600 2.284 2.283 2.284 . 0 0 "[ . 1 . 2]" 4
460 2 71 VAL QG 2 72 ALA HA 3.600 . 5.000 3.135 3.134 3.136 . 0 0 "[ . 1 . 2]" 4
461 2 71 VAL HA 2 74 THR HB 4.200 2.500 5.900 4.370 4.224 4.909 . 0 0 "[ . 1 . 2]" 4
462 2 71 VAL HA 2 74 THR MG 3.400 . 4.800 2.068 1.938 3.016 . 0 0 "[ . 1 . 2]" 4
463 2 71 VAL HA 2 74 THR H 4.200 2.500 5.900 3.728 3.483 4.140 . 0 0 "[ . 1 . 2]" 4
464 2 71 VAL QG 2 74 THR MG 2.800 . 3.900 3.310 3.198 3.903 0.003 10 0 "[ . 1 . 2]" 4
465 2 72 ALA HA 2 72 ALA MB 2.300 . 3.200 2.150 2.149 2.151 . 0 0 "[ . 1 . 2]" 4
466 2 72 ALA H 2 72 ALA HA 3.000 . 4.200 2.873 2.872 2.875 . 0 0 "[ . 1 . 2]" 4
467 2 72 ALA MB 2 73 PHE HA 4.200 . 5.900 3.723 3.696 3.765 . 0 0 "[ . 1 . 2]" 4
468 2 72 ALA MB 2 73 PHE QB 3.800 . 5.300 3.709 3.548 4.255 . 0 0 "[ . 1 . 2]" 4
469 2 72 ALA MB 2 75 SER QB 3.400 . 4.800 4.344 3.892 5.025 0.225 16 0 "[ . 1 . 2]" 4
470 2 73 PHE HA 2 76 HIS QB 4.100 . 5.700 3.560 2.696 4.778 . 0 0 "[ . 1 . 2]" 4
471 2 73 PHE HA 2 76 HIS H 4.100 2.500 5.700 3.978 3.385 4.756 . 0 0 "[ . 1 . 2]" 4
472 2 74 THR HA 2 74 THR HB 3.000 . 4.200 2.430 2.245 2.521 . 0 0 "[ . 1 . 2]" 4
473 2 74 THR HA 2 74 THR MG 2.800 . 3.900 3.096 2.487 3.195 . 0 0 "[ . 1 . 2]" 4
474 2 74 THR HB 2 75 SER H 4.100 2.500 5.700 4.054 3.882 4.332 . 0 0 "[ . 1 . 2]" 4
475 2 74 THR MG 2 75 SER HA 3.600 . 5.000 3.677 3.167 5.396 0.396 14 0 "[ . 1 . 2]" 4
476 2 75 SER HA 2 75 SER QB 2.500 . 3.500 2.324 2.192 2.410 . 0 0 "[ . 1 . 2]" 4
477 2 76 HIS HA 2 77 PRO QD 2.800 . 3.900 2.029 1.964 2.125 . 0 0 "[ . 1 . 2]" 4
478 2 76 HIS HA 2 77 PRO QG 3.300 . 4.600 3.958 3.886 4.051 . 0 0 "[ . 1 . 2]" 4
479 2 77 PRO HA 2 77 PRO QD 3.700 . 5.200 3.336 3.233 3.478 . 0 0 "[ . 1 . 2]" 4
480 2 77 PRO HA 2 77 PRO QG 2.500 . 3.500 3.109 2.781 3.512 0.012 1 0 "[ . 1 . 2]" 4
481 2 77 PRO HA 2 79 HIS QB 3.800 . 5.300 4.913 4.744 5.153 . 0 0 "[ . 1 . 2]" 4
482 2 77 PRO HA 2 80 VAL HB 2.900 . 4.100 3.504 2.854 4.227 0.127 16 0 "[ . 1 . 2]" 4
483 2 77 PRO HA 2 80 VAL MG1 2.800 . 3.900 3.256 2.118 4.387 0.487 5 0 "[ . 1 . 2]" 4
484 2 77 PRO HA 2 80 VAL H 3.800 2.300 5.300 3.461 3.230 3.662 . 0 0 "[ . 1 . 2]" 4
485 2 77 PRO QB 2 80 VAL MG1 3.700 . 5.200 3.874 2.697 4.904 . 0 0 "[ . 1 . 2]" 4
486 2 77 PRO HA 2 81 GLU H 3.900 2.300 5.500 4.240 4.021 4.649 . 0 0 "[ . 1 . 2]" 4
487 2 78 LEU HA 2 78 LEU MD1 2.300 . 3.200 2.525 2.095 3.378 0.178 3 0 "[ . 1 . 2]" 4
488 2 78 LEU HA 2 78 LEU MD2 3.100 . 4.400 3.695 3.206 3.849 . 0 0 "[ . 1 . 2]" 4
489 2 78 LEU HA 2 78 LEU HG 3.100 . 4.300 2.496 2.129 2.960 . 0 0 "[ . 1 . 2]" 4
490 2 78 LEU QB 2 78 LEU MD1 2.500 . 3.500 2.133 2.062 2.184 . 0 0 "[ . 1 . 2]" 4
491 2 78 LEU MD1 2 78 LEU HG 2.300 . 3.200 2.146 2.134 2.152 . 0 0 "[ . 1 . 2]" 4
492 2 78 LEU H 2 78 LEU MD2 3.500 . 4.900 4.295 4.150 4.354 . 0 0 "[ . 1 . 2]" 4
493 2 78 LEU HA 2 79 HIS H 3.700 2.200 5.200 3.524 3.503 3.549 . 0 0 "[ . 1 . 2]" 4
494 2 78 LEU MD1 2 79 HIS H 3.400 . 4.800 4.886 4.585 5.054 0.254 20 0 "[ . 1 . 2]" 4
495 2 78 LEU HA 2 81 GLU QB 3.100 . 4.300 3.549 3.148 4.377 0.077 1 0 "[ . 1 . 2]" 4
496 2 78 LEU HA 2 81 GLU QG 4.100 . 5.700 4.912 2.621 5.744 0.044 13 0 "[ . 1 . 2]" 4
497 2 79 HIS HA 2 82 PHE QB 3.800 . 4.900 2.502 2.299 2.687 . 0 0 "[ . 1 . 2]" 4
498 2 79 HIS QB 2 82 PHE H 4.400 . 6.200 5.080 4.957 5.214 . 0 0 "[ . 1 . 2]" 4
499 2 80 VAL HA 2 80 VAL MG1 2.400 . 3.400 2.792 2.374 3.189 . 0 0 "[ . 1 . 2]" 4
500 2 80 VAL HA 2 80 VAL MG2 2.600 . 3.600 2.314 2.250 2.387 . 0 0 "[ . 1 . 2]" 4
501 2 80 VAL HB 2 80 VAL MG1 2.400 . 3.300 2.140 2.134 2.145 . 0 0 "[ . 1 . 2]" 4
502 2 80 VAL HB 2 80 VAL MG2 2.100 . 2.900 2.149 2.145 2.153 . 0 0 "[ . 1 . 2]" 4
503 2 80 VAL H 2 80 VAL MG1 2.600 . 3.700 2.794 1.739 3.748 0.048 5 0 "[ . 1 . 2]" 4
504 2 80 VAL HA 2 81 GLU HA 4.200 2.500 5.900 4.816 4.776 4.869 . 0 0 "[ . 1 . 2]" 4
505 2 80 VAL HB 2 81 GLU H 3.500 2.100 4.900 2.963 2.181 3.744 . 0 0 "[ . 1 . 2]" 4
506 2 80 VAL MG1 2 81 GLU HA 3.000 . 4.200 3.240 3.075 3.497 . 0 0 "[ . 1 . 2]" 4
507 2 80 VAL MG1 2 81 GLU QB 3.400 . 4.800 3.463 2.710 4.339 . 0 0 "[ . 1 . 2]" 4
508 2 80 VAL HA 2 82 PHE H 4.300 2.600 6.000 4.395 3.990 4.566 . 0 0 "[ . 1 . 2]" 4
509 2 80 VAL HA 2 83 SER QB 3.500 . 4.900 2.822 2.301 3.550 . 0 0 "[ . 1 . 2]" 4
510 2 80 VAL MG1 2 83 SER QB 4.600 . 6.400 4.512 3.623 5.576 . 0 0 "[ . 1 . 2]" 4
511 2 81 GLU HA 2 82 PHE H 3.500 2.100 4.900 3.550 3.517 3.562 . 0 0 "[ . 1 . 2]" 4
512 2 81 GLU QB 2 82 PHE HA 3.900 . 5.500 4.048 3.898 4.403 . 0 0 "[ . 1 . 2]" 4
513 2 81 GLU HA 2 85 ALA H 3.500 2.100 4.900 4.615 4.275 4.987 0.087 7 0 "[ . 1 . 2]" 4
514 2 82 PHE QB 2 83 SER HA 4.400 . 6.200 4.059 3.867 4.200 . 0 0 "[ . 1 . 2]" 4
515 2 82 PHE HA 2 85 ALA MB 3.100 . 4.300 2.925 2.520 3.349 . 0 0 "[ . 1 . 2]" 4
516 2 82 PHE QB 2 85 ALA H 3.600 . 5.100 5.108 4.811 5.353 0.253 11 0 "[ . 1 . 2]" 4
517 2 83 SER HA 2 84 ALA HA 3.900 2.300 5.500 4.822 4.788 4.849 . 0 0 "[ . 1 . 2]" 4
518 2 83 SER QB 2 84 ALA HA 3.900 . 5.500 4.164 3.888 4.457 . 0 0 "[ . 1 . 2]" 4
519 2 83 SER QB 2 84 ALA MB 4.300 . 6.000 4.163 3.822 4.719 . 0 0 "[ . 1 . 2]" 4
520 2 83 SER HA 2 85 ALA H 3.600 2.200 5.000 4.496 4.070 4.721 . 0 0 "[ . 1 . 2]" 4
521 2 83 SER HA 2 86 PHE QB 4.000 . 4.900 2.178 2.094 2.304 . 0 0 "[ . 1 . 2]" 4
522 2 83 SER QB 2 86 PHE QB 4.200 . 5.900 3.884 3.494 4.218 . 0 0 "[ . 1 . 2]" 4
523 2 84 ALA HA 2 84 ALA MB 2.200 . 3.100 2.150 2.148 2.152 . 0 0 "[ . 1 . 2]" 4
524 2 84 ALA H 2 84 ALA HA 2.900 . 4.000 2.854 2.832 2.873 . 0 0 "[ . 1 . 2]" 4
525 2 84 ALA HA 2 85 ALA H 3.300 . 4.600 3.555 3.509 3.574 . 0 0 "[ . 1 . 2]" 4
526 2 85 ALA HA 2 85 ALA MB 2.200 . 3.100 2.147 2.142 2.150 . 0 0 "[ . 1 . 2]" 4
527 2 85 ALA HA 2 86 PHE H 3.500 2.100 4.900 3.567 3.557 3.578 . 0 0 "[ . 1 . 2]" 4
528 2 85 ALA MB 2 86 PHE HA 3.600 . 5.000 3.801 3.747 3.828 . 0 0 "[ . 1 . 2]" 4
529 2 85 ALA HA 2 88 ALA MB 2.800 . 3.900 2.240 2.179 2.312 . 0 0 "[ . 1 . 2]" 4
530 2 86 PHE HA 2 90 ILE QG 3.700 . 5.200 3.867 3.091 5.018 . 0 0 "[ . 1 . 2]" 4
531 2 87 THR HA 2 87 THR HB 2.900 . 4.100 2.926 2.312 3.032 . 0 0 "[ . 1 . 2]" 4
532 2 87 THR HA 2 87 THR MG 2.400 . 3.400 2.381 2.247 3.194 . 0 0 "[ . 1 . 2]" 4
533 2 87 THR H 2 87 THR HA 2.900 . 4.100 2.943 2.932 2.950 . 0 0 "[ . 1 . 2]" 4
534 2 87 THR HA 2 88 ALA MB 3.300 . 4.600 5.015 5.001 5.032 0.432 5 0 "[ . 1 . 2]" 4
535 2 87 THR HA 2 88 ALA H 3.200 . 4.500 3.568 3.567 3.570 . 0 0 "[ . 1 . 2]" 4
536 2 87 THR HB 2 88 ALA MB 3.800 . 5.300 3.949 3.658 5.217 . 0 0 "[ . 1 . 2]" 4
537 2 87 THR HB 2 88 ALA H 3.300 . 4.600 2.246 1.971 3.651 0.029 16 0 "[ . 1 . 2]" 4
538 2 87 THR MG 2 88 ALA HA 3.300 . 4.600 3.854 3.256 5.133 0.533 1 2 "[+ . - . 2]" 4
539 2 87 THR MG 2 88 ALA MB 3.200 . 4.500 4.257 2.709 4.439 . 0 0 "[ . 1 . 2]" 4
540 2 87 THR H 2 88 ALA HA 4.100 2.500 5.700 5.201 5.171 5.248 . 0 0 "[ . 1 . 2]" 4
541 2 88 ALA HA 2 88 ALA MB 2.100 . 3.000 2.144 2.130 2.150 . 0 0 "[ . 1 . 2]" 4
542 2 88 ALA HA 2 89 VAL MG1 3.700 . 5.200 4.487 4.216 5.249 0.049 1 0 "[ . 1 . 2]" 4
543 2 88 ALA HA 2 89 VAL H 3.200 . 4.500 3.485 3.387 3.531 . 0 0 "[ . 1 . 2]" 4
544 2 88 ALA MB 2 89 VAL HA 4.100 . 5.700 3.958 3.890 4.046 . 0 0 "[ . 1 . 2]" 4
545 2 88 ALA MB 2 89 VAL MG1 2.800 . 3.900 2.656 2.369 4.090 0.190 1 0 "[ . 1 . 2]" 4
546 2 88 ALA MB 2 89 VAL MG2 3.300 . 4.600 3.940 3.710 4.627 0.027 20 0 "[ . 1 . 2]" 4
547 2 88 ALA MB 2 89 VAL H 2.900 . 4.100 2.812 2.660 3.108 . 0 0 "[ . 1 . 2]" 4
548 2 88 ALA H 2 89 VAL HA 3.900 2.300 5.500 5.513 5.454 5.548 0.048 3 0 "[ . 1 . 2]" 4
549 2 89 VAL HA 2 89 VAL MG1 2.600 . 3.600 2.494 2.370 3.176 . 0 0 "[ . 1 . 2]" 4
550 2 89 VAL HA 2 89 VAL MG2 3.200 . 4.500 3.094 2.193 3.199 . 0 0 "[ . 1 . 2]" 4
551 2 89 VAL H 2 89 VAL MG1 2.900 . 4.100 2.324 2.100 2.566 . 0 0 "[ . 1 . 2]" 4
552 2 89 VAL MG2 2 90 ILE QG 3.500 . 4.900 2.646 2.044 3.939 . 0 0 "[ . 1 . 2]" 4
553 2 90 ILE HA 2 90 ILE MG 3.300 . 4.600 2.480 2.370 2.773 . 0 0 "[ . 1 . 2]" 4
554 2 90 ILE HB 2 90 ILE MD 3.200 . 4.500 2.547 2.183 3.189 . 0 0 "[ . 1 . 2]" 4
555 2 90 ILE H 2 90 ILE MD 3.600 . 5.000 3.774 2.876 4.125 . 0 0 "[ . 1 . 2]" 4
556 2 90 ILE QG 2 90 ILE MG 3.100 . 4.300 2.238 2.095 2.312 . 0 0 "[ . 1 . 2]" 4
557 2 90 ILE HA 2 91 ASP HA 3.500 2.100 4.900 4.450 4.427 4.493 . 0 0 "[ . 1 . 2]" 4
558 2 90 ILE HB 2 91 ASP H 4.200 2.500 5.900 3.828 3.671 4.093 . 0 0 "[ . 1 . 2]" 4
559 2 90 ILE MG 2 93 ILE HB 3.400 . 4.700 2.985 2.658 3.219 . 0 0 "[ . 1 . 2]" 4
560 2 90 ILE MG 2 93 ILE MD 2.600 . 3.600 2.566 2.228 2.793 . 0 0 "[ . 1 . 2]" 4
561 2 92 LYS QB 2 92 LYS QE 2.400 . 3.300 3.298 2.119 3.652 0.352 19 0 "[ . 1 . 2]" 4
562 2 93 ILE HA 2 93 ILE MD 3.200 . 4.500 2.237 2.193 2.307 . 0 0 "[ . 1 . 2]" 4
563 2 93 ILE HA 2 93 ILE QG 3.800 . 4.300 2.523 2.408 2.593 . 0 0 "[ . 1 . 2]" 4
564 2 93 ILE HB 2 93 ILE MD 2.500 . 3.500 2.184 2.127 2.233 . 0 0 "[ . 1 . 2]" 4
565 2 93 ILE H 2 93 ILE HB 4.100 . 5.700 3.026 2.925 3.100 . 0 0 "[ . 1 . 2]" 4
566 2 93 ILE H 2 93 ILE MD 2.800 . 3.900 4.328 4.174 4.439 0.539 9 4 "[*- . +1 *. 2]" 4
567 2 93 ILE HA 2 94 VAL MG1 3.900 . 5.500 5.310 3.664 5.491 . 0 0 "[ . 1 . 2]" 4
568 2 93 ILE QG 2 94 VAL HA 3.700 . 5.200 3.977 3.793 4.225 . 0 0 "[ . 1 . 2]" 4
569 2 94 VAL HA 2 94 VAL MG1 2.800 . 3.900 2.361 2.250 3.205 . 0 0 "[ . 1 . 2]" 4
570 2 94 VAL HA 2 94 VAL MG2 3.100 . 4.300 2.470 2.267 3.185 . 0 0 "[ . 1 . 2]" 4
571 2 94 VAL HB 2 94 VAL MG1 2.400 . 3.400 2.137 2.132 2.143 . 0 0 "[ . 1 . 2]" 4
572 2 94 VAL H 2 94 VAL MG2 3.800 . 5.300 2.678 2.100 3.971 . 0 0 "[ . 1 . 2]" 4
573 2 94 VAL HA 2 95 LEU QB 3.900 . 5.400 4.744 4.706 4.805 . 0 0 "[ . 1 . 2]" 4
574 2 94 VAL HA 2 95 LEU HG 3.000 . 4.200 3.835 3.608 4.071 . 0 0 "[ . 1 . 2]" 4
575 2 94 VAL MG1 2 95 LEU HG 3.500 . 4.900 4.656 4.346 5.199 0.299 9 0 "[ . 1 . 2]" 4
576 2 95 LEU HA 2 95 LEU MD1 3.600 . 5.000 3.487 3.389 3.576 . 0 0 "[ . 1 . 2]" 4
577 2 95 LEU HA 2 95 LEU MD2 3.300 . 4.600 3.641 3.585 3.747 . 0 0 "[ . 1 . 2]" 4
578 2 95 LEU QB 2 95 LEU MD1 2.700 . 3.800 2.150 2.110 2.174 . 0 0 "[ . 1 . 2]" 4
579 2 95 LEU MD1 2 95 LEU HG 2.300 . 3.200 2.128 2.110 2.143 . 0 0 "[ . 1 . 2]" 4
580 2 95 LEU H 2 95 LEU MD1 3.400 . 4.700 1.935 1.849 2.011 . 0 0 "[ . 1 . 2]" 4
581 2 95 LEU HA 2 96 LEU MD2 3.600 . 5.000 5.083 4.946 5.187 0.187 15 0 "[ . 1 . 2]" 4
582 2 95 LEU QB 2 96 LEU HA 4.200 . 5.900 4.161 4.097 4.212 . 0 0 "[ . 1 . 2]" 4
583 2 95 LEU MD1 2 96 LEU HA 3.700 . 5.200 5.363 5.263 5.460 0.260 7 0 "[ . 1 . 2]" 4
584 2 95 LEU H 2 96 LEU MD1 3.600 . 5.000 4.062 3.482 4.613 . 0 0 "[ . 1 . 2]" 4
585 2 96 LEU HA 2 96 LEU MD1 2.700 . 3.800 3.438 3.153 3.635 . 0 0 "[ . 1 . 2]" 4
586 2 96 LEU HA 2 96 LEU MD2 3.400 . 4.800 3.690 3.535 3.836 . 0 0 "[ . 1 . 2]" 4
587 2 96 LEU MD1 2 96 LEU MD2 2.200 . 3.100 2.023 1.870 2.079 . 0 0 "[ . 1 . 2]" 4
588 2 96 LEU MD1 2 96 LEU HG 2.400 . 3.400 2.132 2.114 2.153 . 0 0 "[ . 1 . 2]" 4
589 2 96 LEU MD2 2 97 ASP H 3.700 . 5.200 5.120 4.983 5.232 0.032 11 0 "[ . 1 . 2]" 4
590 2 98 PHE HA 2 99 PRO QD 2.900 . 4.000 2.026 1.972 2.159 . 0 0 "[ . 1 . 2]" 4
591 2 98 PHE HA 2 99 PRO QG 4.000 . 5.000 3.950 3.867 4.107 . 0 0 "[ . 1 . 2]" 4
592 2 98 PHE QB 2 99 PRO QG 4.300 . 6.000 4.771 3.412 5.270 . 0 0 "[ . 1 . 2]" 4
593 2 100 VAL HA 2 100 VAL QG 2.700 . 3.800 2.109 2.022 2.372 . 0 0 "[ . 1 . 2]" 4
594 2 101 ALA HA 2 102 ALA MB 3.000 . 4.200 4.184 4.060 4.343 0.143 17 0 "[ . 1 . 2]" 4
595 2 102 ALA MB 2 103 VAL H 3.000 . 4.200 3.506 2.570 3.713 . 0 0 "[ . 1 . 2]" 4
596 2 103 VAL HA 2 103 VAL MG1 2.500 . 3.500 2.304 2.155 2.426 . 0 0 "[ . 1 . 2]" 4
597 2 103 VAL HA 2 103 VAL MG2 2.600 . 3.600 3.184 3.147 3.195 . 0 0 "[ . 1 . 2]" 4
598 2 103 VAL HB 2 103 VAL MG2 2.400 . 3.300 2.140 2.124 2.150 . 0 0 "[ . 1 . 2]" 4
599 2 103 VAL MG2 2 104 LYS QE 3.500 . 4.900 4.716 3.945 5.113 0.213 11 0 "[ . 1 . 2]" 4
600 2 104 LYS HA 2 104 LYS QE 3.000 . 4.200 4.056 2.331 4.340 0.140 16 0 "[ . 1 . 2]" 4
601 2 104 LYS H 2 104 LYS QD 4.300 . 6.000 3.254 2.045 4.647 . 0 0 "[ . 1 . 2]" 4
602 2 105 SER HA 2 105 SER QB 2.300 . 3.200 2.295 2.178 2.484 . 0 0 "[ . 1 . 2]" 4
603 2 105 SER QB 2 107 VAL HB 3.700 . 5.200 4.961 3.181 5.924 0.724 14 1 "[ . 1 +. 2]" 4
604 2 107 VAL HA 2 107 VAL MG1 2.500 . 3.500 2.806 2.255 3.195 . 0 0 "[ . 1 . 2]" 4
605 2 43 GLY HA2 2 59 ALA MB 4.700 2.800 6.600 4.858 4.129 5.484 . 0 0 "[ . 1 . 2]" 4
606 2 46 LYS QG 2 55 GLY HA3 4.500 2.700 6.300 5.878 4.250 7.251 0.951 19 4 "[ . -1 *. * +2]" 4
607 2 56 PHE QB 2 92 LYS QE 4.200 2.500 5.900 4.106 2.771 5.560 . 0 0 "[ . 1 . 2]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 171
_Distance_constraint_stats_list.Viol_total 700.443
_Distance_constraint_stats_list.Viol_max 0.855
_Distance_constraint_stats_list.Viol_rms 0.1395
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0649
_Distance_constraint_stats_list.Viol_average_violations_only 0.2048
_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 28 GLU 2.693 0.327 3 0 "[ . 1 . 2]"
1 29 ASN 3.868 0.855 17 3 "[ - 1 .*+ 2]"
1 31 VAL 0.795 0.318 13 0 "[ . 1 . 2]"
1 41 GLU 3.278 0.464 16 0 "[ . 1 . 2]"
1 42 TRP 0.945 0.419 1 0 "[ . 1 . 2]"
1 46 LYS 3.560 0.723 20 3 "[ . - * . +]"
1 51 MET 0.955 0.264 10 0 "[ . 1 . 2]"
1 52 LEU 6.720 0.626 19 2 "[ . 1 -. +2]"
1 54 GLN 3.070 0.400 5 0 "[ . 1 . 2]"
1 55 GLY 8.775 0.843 11 7 "[ *.- * 1+ **. * 2]"
1 56 PHE 0.365 0.250 4 0 "[ . 1 . 2]"
2 94 VAL 0.368 0.156 11 0 "[ . 1 . 2]"
2 95 LEU 6.410 0.626 19 2 "[ . 1 -. +2]"
2 96 LEU 16.666 0.843 11 10 "[ *.-** *+ **. * *]"
2 104 LYS 5.018 0.464 16 0 "[ . 1 . 2]"
2 107 VAL 0.526 0.259 17 0 "[ . 1 . 2]"
2 108 VAL 3.868 0.855 17 3 "[ - 1 .*+ 2]"
2 109 ALA 2.167 0.327 3 0 "[ . 1 . 2]"
2 110 THR 0.000 0.000 . 0 "[ . 1 . 2]"
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 31 VAL HB 2 104 LYS QB 4.300 2.600 6.000 5.463 3.790 6.318 0.318 13 0 "[ . 1 . 2]" 5
2 1 41 GLU HA 2 104 LYS QG 4.200 2.500 5.900 6.037 5.514 6.364 0.464 16 0 "[ . 1 . 2]" 5
3 1 46 LYS QB 2 96 LEU HA 4.200 2.500 5.900 5.269 4.061 6.623 0.723 20 3 "[ . - * . +]" 5
4 1 51 MET QG 2 95 LEU MD1 4.100 2.500 5.700 4.925 3.008 5.964 0.264 10 0 "[ . 1 . 2]" 5
5 1 52 LEU HA 2 95 LEU QB 4.300 2.600 6.000 3.616 2.807 4.444 . 0 0 "[ . 1 . 2]" 5
6 1 52 LEU HA 2 95 LEU MD1 4.400 2.700 6.100 3.759 3.284 4.792 . 0 0 "[ . 1 . 2]" 5
7 1 52 LEU QB 2 95 LEU QB 4.300 2.600 6.000 4.275 3.599 5.127 . 0 0 "[ . 1 . 2]" 5
8 1 52 LEU QB 2 95 LEU MD1 4.100 2.500 5.700 4.942 4.510 5.797 0.097 4 0 "[ . 1 . 2]" 5
9 1 52 LEU QB 2 95 LEU MD2 4.500 2.700 6.300 5.631 4.779 6.744 0.444 11 0 "[ . 1 . 2]" 5
10 1 52 LEU MD1 2 95 LEU QB 3.500 2.100 4.900 5.039 4.305 5.526 0.626 19 2 "[ . 1 -. +2]" 5
11 1 52 LEU MD2 2 95 LEU QB 3.400 . 4.800 3.203 2.713 3.703 . 0 0 "[ . 1 . 2]" 5
12 1 54 GLN QB 2 94 VAL MG1 4.200 2.500 5.900 3.458 2.449 4.912 0.051 4 0 "[ . 1 . 2]" 5
13 1 54 GLN QG 2 94 VAL MG1 3.200 . 4.200 2.173 1.866 3.483 0.034 12 0 "[ . 1 . 2]" 5
14 1 54 GLN QG 2 94 VAL MG2 3.800 2.300 5.300 4.011 2.254 4.606 0.046 11 0 "[ . 1 . 2]" 5
15 1 56 PHE QB 2 96 LEU MD2 4.400 2.600 5.900 3.407 2.350 3.988 0.250 4 0 "[ . 1 . 2]" 5
16 1 56 PHE H 2 96 LEU MD2 4.100 2.500 4.900 4.296 3.381 4.804 . 0 0 "[ . 1 . 2]" 5
17 1 28 GLU HA 2 107 VAL H 4.500 2.700 6.300 5.988 5.157 6.559 0.259 17 0 "[ . 1 . 2]" 5
18 1 28 GLU H 2 109 ALA HA 4.600 2.800 6.400 6.379 4.802 6.727 0.327 3 0 "[ . 1 . 2]" 5
19 1 28 GLU QB 2 110 THR H 4.700 2.800 6.600 5.347 3.642 6.462 . 0 0 "[ . 1 . 2]" 5
20 1 29 ASN HA 2 108 VAL H 4.000 2.400 5.600 5.692 4.602 6.455 0.855 17 3 "[ - 1 .*+ 2]" 5
21 1 42 TRP H 2 104 LYS QE 4.000 2.400 5.600 5.137 4.378 6.019 0.419 1 0 "[ . 1 . 2]" 5
22 1 52 LEU QB 2 95 LEU H 4.700 2.800 6.600 5.807 5.028 6.448 . 0 0 "[ . 1 . 2]" 5
23 1 52 LEU H 2 96 LEU HA 4.500 2.700 6.300 6.150 5.156 6.722 0.422 3 0 "[ . 1 . 2]" 5
24 1 54 GLN H 2 94 VAL MG1 4.000 2.400 5.600 4.902 4.211 5.756 0.156 11 0 "[ . 1 . 2]" 5
25 1 54 GLN H 2 96 LEU HA 3.000 . 4.200 4.297 3.894 4.600 0.400 5 0 "[ . 1 . 2]" 5
26 1 55 GLY H 2 96 LEU HA 4.100 2.400 5.800 6.161 5.783 6.643 0.843 11 7 "[ *.- * 1+ **. * 2]" 5
27 1 55 GLY H 2 96 LEU HG 4.500 2.700 6.300 6.070 5.248 6.667 0.367 10 0 "[ . 1 . 2]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 328
_Distance_constraint_stats_list.Viol_total 901.377
_Distance_constraint_stats_list.Viol_max 0.448
_Distance_constraint_stats_list.Viol_rms 0.0711
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.1374
_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 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 4.240 0.282 11 0 "[ . 1 . 2]"
1 8 HIS 0.042 0.029 16 0 "[ . 1 . 2]"
1 9 LEU 0.254 0.109 16 0 "[ . 1 . 2]"
1 10 VAL 0.818 0.166 18 0 "[ . 1 . 2]"
1 11 VAL 0.321 0.181 11 0 "[ . 1 . 2]"
1 12 VAL 3.603 0.279 13 0 "[ . 1 . 2]"
1 13 LYS 13.889 0.426 3 0 "[ . 1 . 2]"
1 20 VAL 0.689 0.166 19 0 "[ . 1 . 2]"
1 21 ASP 0.031 0.031 4 0 "[ . 1 . 2]"
1 22 GLU 2.539 0.345 6 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.689 0.166 19 0 "[ . 1 . 2]"
1 25 LYS 1.485 0.261 19 0 "[ . 1 . 2]"
1 26 GLY 2.613 0.345 6 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 5.874 0.448 16 0 "[ . 1 . 2]"
1 29 ASN 1.455 0.261 19 0 "[ . 1 . 2]"
1 30 LEU 0.074 0.066 1 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 SER 5.874 0.448 16 0 "[ . 1 . 2]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TRP 2.318 0.314 11 0 "[ . 1 . 2]"
1 44 GLU 2.392 0.410 18 0 "[ . 1 . 2]"
1 58 HIS 3.603 0.279 13 0 "[ . 1 . 2]"
1 59 ALA 2.392 0.410 18 0 "[ . 1 . 2]"
1 60 PHE 0.818 0.166 18 0 "[ . 1 . 2]"
1 61 SER 2.318 0.314 11 0 "[ . 1 . 2]"
1 62 MET 0.042 0.029 16 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASP 0.046 0.046 17 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 TYR 0.583 0.210 8 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.046 0.046 17 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 0.583 0.210 8 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PRO 1.660 0.174 18 0 "[ . 1 . 2]"
1 78 LEU 1.537 0.204 13 0 "[ . 1 . 2]"
1 79 HIS 0.129 0.053 20 0 "[ . 1 . 2]"
1 80 VAL 0.076 0.075 7 0 "[ . 1 . 2]"
1 81 GLU 3.169 0.254 7 0 "[ . 1 . 2]"
1 82 PHE 1.537 0.204 13 0 "[ . 1 . 2]"
1 83 SER 1.121 0.248 5 0 "[ . 1 . 2]"
1 84 ALA 0.076 0.075 7 0 "[ . 1 . 2]"
1 85 ALA 1.508 0.254 7 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.991 0.248 5 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 13.889 0.426 3 0 "[ . 1 . 2]"
1 94 VAL 0.321 0.181 11 0 "[ . 1 . 2]"
1 96 LEU 0.254 0.109 16 0 "[ . 1 . 2]"
1 98 PHE 4.240 0.282 11 0 "[ . 1 . 2]"
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 20 VAL O 1 24 LEU H 1.900 . 2.500 1.658 1.334 1.851 0.166 19 0 "[ . 1 . 2]" 6
2 1 20 VAL O 1 24 LEU N 2.900 2.400 3.600 2.525 2.249 2.696 0.151 19 0 "[ . 1 . 2]" 6
3 1 21 ASP O 1 25 LYS H 1.900 . 2.500 2.195 1.835 2.531 0.031 4 0 "[ . 1 . 2]" 6
4 1 21 ASP O 1 25 LYS N 2.900 2.400 3.600 3.031 2.720 3.308 . 0 0 "[ . 1 . 2]" 6
5 1 22 GLU O 1 26 GLY H 1.900 . 2.500 2.575 2.220 2.845 0.345 6 0 "[ . 1 . 2]" 6
6 1 22 GLU O 1 26 GLY N 2.900 2.400 3.600 3.395 2.934 3.642 0.042 1 0 "[ . 1 . 2]" 6
7 1 23 ILE O 1 27 LEU H 1.900 . 2.500 1.954 1.591 2.305 . 0 0 "[ . 1 . 2]" 6
8 1 23 ILE O 1 27 LEU N 2.900 2.400 3.600 2.882 2.549 3.215 . 0 0 "[ . 1 . 2]" 6
9 1 24 LEU O 1 28 GLU H 1.900 . 2.500 1.972 1.651 2.388 . 0 0 "[ . 1 . 2]" 6
10 1 24 LEU O 1 28 GLU N 2.900 2.400 3.600 2.915 2.626 3.280 . 0 0 "[ . 1 . 2]" 6
11 1 25 LYS O 1 29 ASN H 1.900 . 2.500 2.433 1.974 2.761 0.261 19 0 "[ . 1 . 2]" 6
12 1 25 LYS O 1 29 ASN N 2.900 2.400 3.600 3.290 2.830 3.618 0.018 19 0 "[ . 1 . 2]" 6
13 1 26 GLY O 1 30 LEU H 1.900 . 2.500 1.899 1.434 2.342 0.066 1 0 "[ . 1 . 2]" 6
14 1 26 GLY O 1 30 LEU N 2.900 2.400 3.600 2.801 2.398 3.226 0.002 17 0 "[ . 1 . 2]" 6
15 1 27 LEU O 1 31 VAL H 1.900 . 2.500 2.070 1.553 2.364 . 0 0 "[ . 1 . 2]" 6
16 1 27 LEU O 1 31 VAL N 2.900 2.400 3.600 2.983 2.527 3.198 . 0 0 "[ . 1 . 2]" 6
17 1 28 GLU O 1 32 SER H 1.900 . 2.500 2.780 2.322 2.948 0.448 16 0 "[ . 1 . 2]" 6
18 1 28 GLU O 1 32 SER N 2.900 2.400 3.600 3.514 3.155 3.634 0.034 15 0 "[ . 1 . 2]" 6
19 1 67 LYS O 1 71 VAL H 1.900 . 2.500 2.024 1.882 2.214 . 0 0 "[ . 1 . 2]" 6
20 1 67 LYS O 1 71 VAL N 2.900 2.400 3.600 2.969 2.836 3.146 . 0 0 "[ . 1 . 2]" 6
21 1 68 ASP O 1 72 ALA H 1.900 . 2.500 2.252 2.116 2.546 0.046 17 0 "[ . 1 . 2]" 6
22 1 68 ASP O 1 72 ALA N 2.900 2.400 3.600 3.100 2.981 3.398 . 0 0 "[ . 1 . 2]" 6
23 1 69 GLY O 1 73 PHE H 1.900 . 2.500 2.040 1.946 2.132 . 0 0 "[ . 1 . 2]" 6
24 1 69 GLY O 1 73 PHE N 2.900 2.400 3.600 3.015 2.918 3.109 . 0 0 "[ . 1 . 2]" 6
25 1 70 TYR O 1 74 THR H 1.900 . 2.500 2.412 2.150 2.710 0.210 8 0 "[ . 1 . 2]" 6
26 1 70 TYR O 1 74 THR N 2.900 2.400 3.600 3.328 3.058 3.607 0.007 8 0 "[ . 1 . 2]" 6
27 1 71 VAL O 1 75 SER H 1.900 . 2.500 2.041 1.814 2.296 . 0 0 "[ . 1 . 2]" 6
28 1 71 VAL O 1 75 SER N 2.900 2.400 3.600 2.867 2.679 3.093 . 0 0 "[ . 1 . 2]" 6
29 1 77 PRO O 1 81 GLU H 1.900 . 2.500 2.568 2.378 2.674 0.174 18 0 "[ . 1 . 2]" 6
30 1 77 PRO O 1 81 GLU N 2.900 2.400 3.600 3.511 3.303 3.621 0.021 7 0 "[ . 1 . 2]" 6
31 1 78 LEU O 1 82 PHE H 1.900 . 2.500 2.562 2.389 2.704 0.204 13 0 "[ . 1 . 2]" 6
32 1 78 LEU O 1 82 PHE N 2.900 2.400 3.600 3.398 3.199 3.579 . 0 0 "[ . 1 . 2]" 6
33 1 79 HIS O 1 83 SER H 1.900 . 2.500 1.788 1.447 2.333 0.053 20 0 "[ . 1 . 2]" 6
34 1 79 HIS O 1 83 SER N 2.900 2.400 3.600 2.655 2.362 3.086 0.038 13 0 "[ . 1 . 2]" 6
35 1 80 VAL O 1 84 ALA H 1.900 . 2.500 2.169 1.959 2.575 0.075 7 0 "[ . 1 . 2]" 6
36 1 80 VAL O 1 84 ALA N 2.900 2.400 3.600 3.092 2.915 3.449 . 0 0 "[ . 1 . 2]" 6
37 1 81 GLU O 1 85 ALA H 1.900 . 2.500 2.548 2.352 2.754 0.254 7 0 "[ . 1 . 2]" 6
38 1 81 GLU O 1 85 ALA N 2.900 2.400 3.600 3.497 3.314 3.637 0.037 7 0 "[ . 1 . 2]" 6
39 1 82 PHE O 1 86 PHE H 1.900 . 2.500 1.703 1.577 2.015 . 0 0 "[ . 1 . 2]" 6
40 1 82 PHE O 1 86 PHE N 2.900 2.400 3.600 2.643 2.536 2.924 . 0 0 "[ . 1 . 2]" 6
41 1 83 SER O 1 87 THR H 1.900 . 2.500 2.505 2.336 2.748 0.248 5 0 "[ . 1 . 2]" 6
42 1 83 SER O 1 87 THR N 2.900 2.400 3.600 3.297 3.119 3.608 0.008 5 0 "[ . 1 . 2]" 6
43 1 84 ALA O 1 88 ALA H 1.900 . 2.500 2.270 2.149 2.428 . 0 0 "[ . 1 . 2]" 6
44 1 84 ALA O 1 88 ALA N 2.900 2.400 3.600 3.225 3.102 3.371 . 0 0 "[ . 1 . 2]" 6
45 1 85 ALA O 1 89 VAL H 1.900 . 2.500 1.889 1.771 2.030 . 0 0 "[ . 1 . 2]" 6
46 1 85 ALA O 1 89 VAL N 2.900 2.400 3.600 2.744 2.552 2.881 . 0 0 "[ . 1 . 2]" 6
47 1 6 PHE O 1 64 PHE H 1.900 . 2.500 1.939 1.787 2.112 . 0 0 "[ . 1 . 2]" 6
48 1 6 PHE O 1 64 PHE N 2.900 2.400 3.600 2.857 2.727 3.028 . 0 0 "[ . 1 . 2]" 6
49 1 6 PHE H 1 64 PHE O 1.900 . 2.500 2.161 1.786 2.478 . 0 0 "[ . 1 . 2]" 6
50 1 6 PHE N 1 64 PHE O 2.900 2.400 3.600 3.061 2.672 3.422 . 0 0 "[ . 1 . 2]" 6
51 1 7 LYS O 1 98 PHE H 1.900 . 2.500 2.446 2.192 2.610 0.110 8 0 "[ . 1 . 2]" 6
52 1 7 LYS O 1 98 PHE N 2.900 2.400 3.600 3.291 3.013 3.476 . 0 0 "[ . 1 . 2]" 6
53 1 7 LYS H 1 98 PHE O 1.900 . 2.500 2.565 1.935 2.782 0.282 11 0 "[ . 1 . 2]" 6
54 1 7 LYS N 1 98 PHE O 2.900 2.400 3.600 3.487 2.782 3.728 0.128 15 0 "[ . 1 . 2]" 6
55 1 8 HIS O 1 62 MET H 1.900 . 2.500 1.908 1.565 2.046 . 0 0 "[ . 1 . 2]" 6
56 1 8 HIS O 1 62 MET N 2.900 2.400 3.600 2.739 2.401 2.943 . 0 0 "[ . 1 . 2]" 6
57 1 8 HIS H 1 62 MET O 1.900 . 2.500 1.708 1.487 1.956 0.013 16 0 "[ . 1 . 2]" 6
58 1 8 HIS N 1 62 MET O 2.900 2.400 3.600 2.613 2.371 2.824 0.029 16 0 "[ . 1 . 2]" 6
59 1 9 LEU O 1 96 LEU H 1.900 . 2.500 2.122 1.932 2.330 . 0 0 "[ . 1 . 2]" 6
60 1 9 LEU O 1 96 LEU N 2.900 2.400 3.600 2.984 2.822 3.124 . 0 0 "[ . 1 . 2]" 6
61 1 9 LEU H 1 96 LEU O 1.900 . 2.500 2.368 2.186 2.609 0.109 16 0 "[ . 1 . 2]" 6
62 1 9 LEU N 1 96 LEU O 2.900 2.400 3.600 3.179 3.032 3.436 . 0 0 "[ . 1 . 2]" 6
63 1 10 VAL O 1 60 PHE H 1.900 . 2.500 2.327 1.812 2.666 0.166 18 0 "[ . 1 . 2]" 6
64 1 10 VAL O 1 60 PHE N 2.900 2.400 3.600 3.219 2.739 3.405 . 0 0 "[ . 1 . 2]" 6
65 1 10 VAL H 1 60 PHE O 1.900 . 2.500 2.349 2.065 2.660 0.160 20 0 "[ . 1 . 2]" 6
66 1 10 VAL N 1 60 PHE O 2.900 2.400 3.600 3.276 3.023 3.556 . 0 0 "[ . 1 . 2]" 6
67 1 11 VAL O 1 94 VAL H 1.900 . 2.500 2.306 2.045 2.681 0.181 11 0 "[ . 1 . 2]" 6
68 1 11 VAL O 1 94 VAL N 2.900 2.400 3.600 3.152 2.947 3.483 . 0 0 "[ . 1 . 2]" 6
69 1 11 VAL H 1 94 VAL O 1.900 . 2.500 1.846 1.668 2.143 . 0 0 "[ . 1 . 2]" 6
70 1 11 VAL N 1 94 VAL O 2.900 2.400 3.600 2.778 2.609 3.065 . 0 0 "[ . 1 . 2]" 6
71 1 12 VAL O 1 58 HIS H 1.900 . 2.500 2.643 2.388 2.779 0.279 13 0 "[ . 1 . 2]" 6
72 1 12 VAL O 1 58 HIS N 2.900 2.400 3.600 3.566 3.339 3.718 0.118 19 0 "[ . 1 . 2]" 6
73 1 12 VAL H 1 58 HIS O 1.900 . 2.500 2.273 2.000 2.459 . 0 0 "[ . 1 . 2]" 6
74 1 12 VAL N 1 58 HIS O 2.900 2.400 3.600 3.213 2.966 3.363 . 0 0 "[ . 1 . 2]" 6
75 1 13 LYS O 1 92 LYS H 1.900 . 2.500 2.748 2.488 2.868 0.368 15 0 "[ . 1 . 2]" 6
76 1 13 LYS O 1 92 LYS N 2.900 2.400 3.600 3.591 3.374 3.692 0.092 7 0 "[ . 1 . 2]" 6
77 1 13 LYS H 1 92 LYS O 1.900 . 2.500 2.809 2.634 2.926 0.426 3 0 "[ . 1 . 2]" 6
78 1 13 LYS N 1 92 LYS O 2.900 2.400 3.600 3.702 3.504 3.837 0.237 3 0 "[ . 1 . 2]" 6
79 1 40 PHE O 1 63 THR H 1.900 . 2.500 1.992 1.827 2.351 . 0 0 "[ . 1 . 2]" 6
80 1 40 PHE O 1 63 THR N 2.900 2.400 3.600 2.926 2.778 3.139 . 0 0 "[ . 1 . 2]" 6
81 1 40 PHE H 1 63 THR O 1.900 . 2.500 1.750 1.551 2.067 . 0 0 "[ . 1 . 2]" 6
82 1 40 PHE N 1 63 THR O 2.900 2.400 3.600 2.642 2.484 2.775 . 0 0 "[ . 1 . 2]" 6
83 1 42 TRP O 1 61 SER H 1.900 . 2.500 2.447 2.177 2.734 0.234 19 0 "[ . 1 . 2]" 6
84 1 42 TRP O 1 61 SER N 2.900 2.400 3.600 3.360 3.109 3.650 0.050 19 0 "[ . 1 . 2]" 6
85 1 42 TRP H 1 61 SER O 1.900 . 2.500 2.532 2.048 2.814 0.314 11 0 "[ . 1 . 2]" 6
86 1 42 TRP N 1 61 SER O 2.900 2.400 3.600 3.387 2.947 3.665 0.065 11 0 "[ . 1 . 2]" 6
87 1 44 GLU O 1 59 ALA H 1.900 . 2.500 2.264 1.934 2.766 0.266 3 0 "[ . 1 . 2]" 6
88 1 44 GLU O 1 59 ALA N 2.900 2.400 3.600 3.112 2.819 3.581 . 0 0 "[ . 1 . 2]" 6
89 1 44 GLU H 1 59 ALA O 1.900 . 2.500 2.548 2.160 2.910 0.410 18 0 "[ . 1 . 2]" 6
90 1 44 GLU N 1 59 ALA O 2.900 2.400 3.600 3.313 2.954 3.544 . 0 0 "[ . 1 . 2]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 329
_Distance_constraint_stats_list.Viol_total 900.880
_Distance_constraint_stats_list.Viol_max 0.445
_Distance_constraint_stats_list.Viol_rms 0.0710
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.1369
_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
2 6 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 LYS 4.199 0.283 11 0 "[ . 1 . 2]"
2 8 HIS 0.042 0.029 16 0 "[ . 1 . 2]"
2 9 LEU 0.264 0.110 16 0 "[ . 1 . 2]"
2 10 VAL 0.809 0.161 18 0 "[ . 1 . 2]"
2 11 VAL 0.320 0.181 11 0 "[ . 1 . 2]"
2 12 VAL 3.605 0.276 13 0 "[ . 1 . 2]"
2 13 LYS 13.890 0.429 3 0 "[ . 1 . 2]"
2 20 VAL 0.678 0.162 19 0 "[ . 1 . 2]"
2 21 ASP 0.037 0.037 4 0 "[ . 1 . 2]"
2 22 GLU 2.523 0.345 6 0 "[ . 1 . 2]"
2 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 LEU 0.678 0.162 19 0 "[ . 1 . 2]"
2 25 LYS 1.501 0.260 19 0 "[ . 1 . 2]"
2 26 GLY 2.595 0.345 6 0 "[ . 1 . 2]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 GLU 5.873 0.445 16 0 "[ . 1 . 2]"
2 29 ASN 1.464 0.260 19 0 "[ . 1 . 2]"
2 30 LEU 0.071 0.067 1 0 "[ . 1 . 2]"
2 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 SER 5.873 0.445 16 0 "[ . 1 . 2]"
2 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 TRP 2.313 0.311 11 0 "[ . 1 . 2]"
2 44 GLU 2.401 0.405 18 0 "[ . 1 . 2]"
2 58 HIS 3.605 0.276 13 0 "[ . 1 . 2]"
2 59 ALA 2.401 0.405 18 0 "[ . 1 . 2]"
2 60 PHE 0.809 0.161 18 0 "[ . 1 . 2]"
2 61 SER 2.313 0.311 11 0 "[ . 1 . 2]"
2 62 MET 0.042 0.029 16 0 "[ . 1 . 2]"
2 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 64 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 ASP 0.045 0.045 17 0 "[ . 1 . 2]"
2 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 TYR 0.577 0.209 8 0 "[ . 1 . 2]"
2 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 ALA 0.045 0.045 17 0 "[ . 1 . 2]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 THR 0.577 0.209 8 0 "[ . 1 . 2]"
2 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 PRO 1.696 0.177 18 0 "[ . 1 . 2]"
2 78 LEU 1.520 0.203 13 0 "[ . 1 . 2]"
2 79 HIS 0.125 0.050 20 0 "[ . 1 . 2]"
2 80 VAL 0.078 0.077 7 0 "[ . 1 . 2]"
2 81 GLU 3.214 0.262 7 0 "[ . 1 . 2]"
2 82 PHE 1.520 0.203 13 0 "[ . 1 . 2]"
2 83 SER 1.119 0.247 5 0 "[ . 1 . 2]"
2 84 ALA 0.078 0.077 7 0 "[ . 1 . 2]"
2 85 ALA 1.518 0.262 7 0 "[ . 1 . 2]"
2 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 THR 0.993 0.247 5 0 "[ . 1 . 2]"
2 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 92 LYS 13.890 0.429 3 0 "[ . 1 . 2]"
2 94 VAL 0.320 0.181 11 0 "[ . 1 . 2]"
2 96 LEU 0.264 0.110 16 0 "[ . 1 . 2]"
2 98 PHE 4.199 0.283 11 0 "[ . 1 . 2]"
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 2 20 VAL O 2 24 LEU H 1.900 . 2.500 1.659 1.338 1.853 0.162 19 0 "[ . 1 . 2]" 7
2 2 20 VAL O 2 24 LEU N 2.900 2.400 3.600 2.526 2.251 2.696 0.149 19 0 "[ . 1 . 2]" 7
3 2 21 ASP O 2 25 LYS H 1.900 . 2.500 2.194 1.834 2.537 0.037 4 0 "[ . 1 . 2]" 7
4 2 21 ASP O 2 25 LYS N 2.900 2.400 3.600 3.030 2.721 3.312 . 0 0 "[ . 1 . 2]" 7
5 2 22 GLU O 2 26 GLY H 1.900 . 2.500 2.575 2.225 2.845 0.345 6 0 "[ . 1 . 2]" 7
6 2 22 GLU O 2 26 GLY N 2.900 2.400 3.600 3.394 2.939 3.640 0.040 1 0 "[ . 1 . 2]" 7
7 2 23 ILE O 2 27 LEU H 1.900 . 2.500 1.954 1.592 2.304 . 0 0 "[ . 1 . 2]" 7
8 2 23 ILE O 2 27 LEU N 2.900 2.400 3.600 2.881 2.549 3.214 . 0 0 "[ . 1 . 2]" 7
9 2 24 LEU O 2 28 GLU H 1.900 . 2.500 1.971 1.651 2.384 . 0 0 "[ . 1 . 2]" 7
10 2 24 LEU O 2 28 GLU N 2.900 2.400 3.600 2.915 2.628 3.277 . 0 0 "[ . 1 . 2]" 7
11 2 25 LYS O 2 29 ASN H 1.900 . 2.500 2.434 1.973 2.760 0.260 19 0 "[ . 1 . 2]" 7
12 2 25 LYS O 2 29 ASN N 2.900 2.400 3.600 3.291 2.828 3.617 0.017 19 0 "[ . 1 . 2]" 7
13 2 26 GLY O 2 30 LEU H 1.900 . 2.500 1.900 1.433 2.343 0.067 1 0 "[ . 1 . 2]" 7
14 2 26 GLY O 2 30 LEU N 2.900 2.400 3.600 2.802 2.398 3.226 0.002 17 0 "[ . 1 . 2]" 7
15 2 27 LEU O 2 31 VAL H 1.900 . 2.500 2.071 1.553 2.365 . 0 0 "[ . 1 . 2]" 7
16 2 27 LEU O 2 31 VAL N 2.900 2.400 3.600 2.982 2.526 3.198 . 0 0 "[ . 1 . 2]" 7
17 2 28 GLU O 2 32 SER H 1.900 . 2.500 2.781 2.322 2.945 0.445 16 0 "[ . 1 . 2]" 7
18 2 28 GLU O 2 32 SER N 2.900 2.400 3.600 3.514 3.155 3.631 0.031 15 0 "[ . 1 . 2]" 7
19 2 67 LYS O 2 71 VAL H 1.900 . 2.500 2.026 1.885 2.214 . 0 0 "[ . 1 . 2]" 7
20 2 67 LYS O 2 71 VAL N 2.900 2.400 3.600 2.970 2.837 3.144 . 0 0 "[ . 1 . 2]" 7
21 2 68 ASP O 2 72 ALA H 1.900 . 2.500 2.254 2.117 2.545 0.045 17 0 "[ . 1 . 2]" 7
22 2 68 ASP O 2 72 ALA N 2.900 2.400 3.600 3.103 2.984 3.396 . 0 0 "[ . 1 . 2]" 7
23 2 69 GLY O 2 73 PHE H 1.900 . 2.500 2.042 1.943 2.134 . 0 0 "[ . 1 . 2]" 7
24 2 69 GLY O 2 73 PHE N 2.900 2.400 3.600 3.016 2.915 3.111 . 0 0 "[ . 1 . 2]" 7
25 2 70 TYR O 2 74 THR H 1.900 . 2.500 2.410 2.149 2.709 0.209 8 0 "[ . 1 . 2]" 7
26 2 70 TYR O 2 74 THR N 2.900 2.400 3.600 3.326 3.055 3.604 0.004 8 0 "[ . 1 . 2]" 7
27 2 71 VAL O 2 75 SER H 1.900 . 2.500 2.036 1.810 2.294 . 0 0 "[ . 1 . 2]" 7
28 2 71 VAL O 2 75 SER N 2.900 2.400 3.600 2.863 2.676 3.090 . 0 0 "[ . 1 . 2]" 7
29 2 77 PRO O 2 81 GLU H 1.900 . 2.500 2.570 2.379 2.677 0.177 18 0 "[ . 1 . 2]" 7
30 2 77 PRO O 2 81 GLU N 2.900 2.400 3.600 3.512 3.304 3.624 0.024 7 0 "[ . 1 . 2]" 7
31 2 78 LEU O 2 82 PHE H 1.900 . 2.500 2.560 2.382 2.703 0.203 13 0 "[ . 1 . 2]" 7
32 2 78 LEU O 2 82 PHE N 2.900 2.400 3.600 3.396 3.193 3.579 . 0 0 "[ . 1 . 2]" 7
33 2 79 HIS O 2 83 SER H 1.900 . 2.500 1.789 1.450 2.335 0.050 20 0 "[ . 1 . 2]" 7
34 2 79 HIS O 2 83 SER N 2.900 2.400 3.600 2.655 2.364 3.084 0.036 13 0 "[ . 1 . 2]" 7
35 2 80 VAL O 2 84 ALA H 1.900 . 2.500 2.169 1.959 2.577 0.077 7 0 "[ . 1 . 2]" 7
36 2 80 VAL O 2 84 ALA N 2.900 2.400 3.600 3.092 2.915 3.452 . 0 0 "[ . 1 . 2]" 7
37 2 81 GLU O 2 85 ALA H 1.900 . 2.500 2.548 2.351 2.762 0.262 7 0 "[ . 1 . 2]" 7
38 2 81 GLU O 2 85 ALA N 2.900 2.400 3.600 3.497 3.312 3.643 0.043 7 0 "[ . 1 . 2]" 7
39 2 82 PHE O 2 86 PHE H 1.900 . 2.500 1.703 1.576 2.008 . 0 0 "[ . 1 . 2]" 7
40 2 82 PHE O 2 86 PHE N 2.900 2.400 3.600 2.644 2.536 2.920 . 0 0 "[ . 1 . 2]" 7
41 2 83 SER O 2 87 THR H 1.900 . 2.500 2.506 2.332 2.747 0.247 5 0 "[ . 1 . 2]" 7
42 2 83 SER O 2 87 THR N 2.900 2.400 3.600 3.297 3.115 3.606 0.006 5 0 "[ . 1 . 2]" 7
43 2 84 ALA O 2 88 ALA H 1.900 . 2.500 2.270 2.148 2.425 . 0 0 "[ . 1 . 2]" 7
44 2 84 ALA O 2 88 ALA N 2.900 2.400 3.600 3.224 3.103 3.369 . 0 0 "[ . 1 . 2]" 7
45 2 85 ALA O 2 89 VAL H 1.900 . 2.500 1.890 1.767 2.027 . 0 0 "[ . 1 . 2]" 7
46 2 85 ALA O 2 89 VAL N 2.900 2.400 3.600 2.743 2.553 2.881 . 0 0 "[ . 1 . 2]" 7
47 2 6 PHE O 2 64 PHE H 1.900 . 2.500 1.938 1.787 2.113 . 0 0 "[ . 1 . 2]" 7
48 2 6 PHE O 2 64 PHE N 2.900 2.400 3.600 2.857 2.727 3.029 . 0 0 "[ . 1 . 2]" 7
49 2 6 PHE H 2 64 PHE O 1.900 . 2.500 2.161 1.787 2.476 . 0 0 "[ . 1 . 2]" 7
50 2 6 PHE N 2 64 PHE O 2.900 2.400 3.600 3.061 2.673 3.421 . 0 0 "[ . 1 . 2]" 7
51 2 7 LYS O 2 98 PHE H 1.900 . 2.500 2.446 2.194 2.610 0.110 8 0 "[ . 1 . 2]" 7
52 2 7 LYS O 2 98 PHE N 2.900 2.400 3.600 3.291 3.015 3.476 . 0 0 "[ . 1 . 2]" 7
53 2 7 LYS H 2 98 PHE O 1.900 . 2.500 2.564 1.937 2.783 0.283 11 0 "[ . 1 . 2]" 7
54 2 7 LYS N 2 98 PHE O 2.900 2.400 3.600 3.486 2.783 3.728 0.128 15 0 "[ . 1 . 2]" 7
55 2 8 HIS O 2 62 MET H 1.900 . 2.500 1.909 1.569 2.050 . 0 0 "[ . 1 . 2]" 7
56 2 8 HIS O 2 62 MET N 2.900 2.400 3.600 2.739 2.405 2.949 . 0 0 "[ . 1 . 2]" 7
57 2 8 HIS H 2 62 MET O 1.900 . 2.500 1.707 1.488 1.958 0.012 16 0 "[ . 1 . 2]" 7
58 2 8 HIS N 2 62 MET O 2.900 2.400 3.600 2.612 2.371 2.825 0.029 16 0 "[ . 1 . 2]" 7
59 2 9 LEU O 2 96 LEU H 1.900 . 2.500 2.123 1.936 2.331 . 0 0 "[ . 1 . 2]" 7
60 2 9 LEU O 2 96 LEU N 2.900 2.400 3.600 2.985 2.824 3.123 . 0 0 "[ . 1 . 2]" 7
61 2 9 LEU H 2 96 LEU O 1.900 . 2.500 2.368 2.183 2.610 0.110 16 0 "[ . 1 . 2]" 7
62 2 9 LEU N 2 96 LEU O 2.900 2.400 3.600 3.179 3.030 3.438 . 0 0 "[ . 1 . 2]" 7
63 2 10 VAL O 2 60 PHE H 1.900 . 2.500 2.327 1.813 2.661 0.161 18 0 "[ . 1 . 2]" 7
64 2 10 VAL O 2 60 PHE N 2.900 2.400 3.600 3.219 2.741 3.406 . 0 0 "[ . 1 . 2]" 7
65 2 10 VAL H 2 60 PHE O 1.900 . 2.500 2.349 2.062 2.661 0.161 20 0 "[ . 1 . 2]" 7
66 2 10 VAL N 2 60 PHE O 2.900 2.400 3.600 3.276 3.022 3.557 . 0 0 "[ . 1 . 2]" 7
67 2 11 VAL O 2 94 VAL H 1.900 . 2.500 2.307 2.048 2.681 0.181 11 0 "[ . 1 . 2]" 7
68 2 11 VAL O 2 94 VAL N 2.900 2.400 3.600 3.152 2.947 3.481 . 0 0 "[ . 1 . 2]" 7
69 2 11 VAL H 2 94 VAL O 1.900 . 2.500 1.846 1.670 2.145 . 0 0 "[ . 1 . 2]" 7
70 2 11 VAL N 2 94 VAL O 2.900 2.400 3.600 2.779 2.609 3.064 . 0 0 "[ . 1 . 2]" 7
71 2 12 VAL O 2 58 HIS H 1.900 . 2.500 2.643 2.386 2.776 0.276 13 0 "[ . 1 . 2]" 7
72 2 12 VAL O 2 58 HIS N 2.900 2.400 3.600 3.567 3.339 3.719 0.119 19 0 "[ . 1 . 2]" 7
73 2 12 VAL H 2 58 HIS O 1.900 . 2.500 2.273 2.001 2.460 . 0 0 "[ . 1 . 2]" 7
74 2 12 VAL N 2 58 HIS O 2.900 2.400 3.600 3.212 2.966 3.362 . 0 0 "[ . 1 . 2]" 7
75 2 13 LYS O 2 92 LYS H 1.900 . 2.500 2.749 2.491 2.866 0.366 15 0 "[ . 1 . 2]" 7
76 2 13 LYS O 2 92 LYS N 2.900 2.400 3.600 3.592 3.376 3.693 0.093 7 0 "[ . 1 . 2]" 7
77 2 13 LYS H 2 92 LYS O 1.900 . 2.500 2.809 2.633 2.929 0.429 3 0 "[ . 1 . 2]" 7
78 2 13 LYS N 2 92 LYS O 2.900 2.400 3.600 3.701 3.503 3.839 0.239 3 0 "[ . 1 . 2]" 7
79 2 40 PHE O 2 63 THR H 1.900 . 2.500 1.990 1.823 2.352 . 0 0 "[ . 1 . 2]" 7
80 2 40 PHE O 2 63 THR N 2.900 2.400 3.600 2.924 2.773 3.140 . 0 0 "[ . 1 . 2]" 7
81 2 40 PHE H 2 63 THR O 1.900 . 2.500 1.749 1.555 2.070 . 0 0 "[ . 1 . 2]" 7
82 2 40 PHE N 2 63 THR O 2.900 2.400 3.600 2.643 2.489 2.771 . 0 0 "[ . 1 . 2]" 7
83 2 42 TRP O 2 61 SER H 1.900 . 2.500 2.448 2.178 2.737 0.237 19 0 "[ . 1 . 2]" 7
84 2 42 TRP O 2 61 SER N 2.900 2.400 3.600 3.361 3.110 3.651 0.051 19 0 "[ . 1 . 2]" 7
85 2 42 TRP H 2 61 SER O 1.900 . 2.500 2.533 2.050 2.811 0.311 11 0 "[ . 1 . 2]" 7
86 2 42 TRP N 2 61 SER O 2.900 2.400 3.600 3.388 2.948 3.661 0.061 11 0 "[ . 1 . 2]" 7
87 2 44 GLU O 2 59 ALA H 1.900 . 2.500 2.265 1.932 2.762 0.262 3 0 "[ . 1 . 2]" 7
88 2 44 GLU O 2 59 ALA N 2.900 2.400 3.600 3.112 2.817 3.577 . 0 0 "[ . 1 . 2]" 7
89 2 44 GLU H 2 59 ALA O 1.900 . 2.500 2.548 2.158 2.905 0.405 18 0 "[ . 1 . 2]" 7
90 2 44 GLU N 2 59 ALA O 2.900 2.400 3.600 3.313 2.954 3.551 . 0 0 "[ . 1 . 2]" 7
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