NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408865 |
1z23   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z23
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 1405
_Distance_constraint_stats_list.Viol_count 3414
_Distance_constraint_stats_list.Viol_total 12551.830
_Distance_constraint_stats_list.Viol_max 0.847
_Distance_constraint_stats_list.Viol_rms 0.0772
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0223
_Distance_constraint_stats_list.Viol_average_violations_only 0.1838
_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 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 2.433 0.597 11 1 "[ . 1+ . 2]"
1 6 PRO 2.528 0.597 11 1 "[ . 1+ . 2]"
1 7 LEU 11.595 0.524 3 4 "[ *+ - 1 . *]"
1 8 GLU 20.315 0.732 10 7 "[ ** - +* . **]"
1 9 LEU 14.174 0.748 13 1 "[ . 1 + . 2]"
1 10 GLU 19.868 0.748 13 5 "[ . ** + .- *2]"
1 11 VAL 9.354 0.445 4 0 "[ . 1 . 2]"
1 12 ALA 3.691 0.295 15 0 "[ . 1 . 2]"
1 13 VAL 20.860 0.564 20 4 "[ . 1 * .- * +]"
1 14 GLU 23.364 0.511 4 5 "[ - +. **1 . *]"
1 15 THR 16.001 0.602 19 3 "[ - . *1 . +2]"
1 16 LEU 6.713 0.372 14 0 "[ . 1 . 2]"
1 17 ALA 8.263 0.694 20 4 "[ . 1 -** +]"
1 18 ARG 6.162 0.531 7 1 "[ . + 1 . 2]"
1 19 LEU 9.590 0.630 1 4 "[+ . 1 * . -*2]"
1 20 GLN 8.739 0.243 3 0 "[ . 1 . 2]"
1 21 GLN 14.724 0.405 8 0 "[ . 1 . 2]"
1 22 GLY 8.082 0.250 20 0 "[ . 1 . 2]"
1 23 VAL 8.433 0.405 8 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 3.702 0.259 1 0 "[ . 1 . 2]"
1 26 THR 0.702 0.184 13 0 "[ . 1 . 2]"
1 27 VAL 6.225 0.350 13 0 "[ . 1 . 2]"
1 28 ALA 8.858 0.360 19 0 "[ . 1 . 2]"
1 29 HIS 23.580 0.375 5 0 "[ . 1 . 2]"
1 30 LEU 11.357 0.375 14 0 "[ . 1 . 2]"
1 31 LEU 9.582 0.319 2 0 "[ . 1 . 2]"
1 32 ASP 7.747 0.246 14 0 "[ . 1 . 2]"
1 33 LEU 4.903 0.209 13 0 "[ . 1 . 2]"
1 34 VAL 0.683 0.152 20 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 SER 0.034 0.034 13 0 "[ . 1 . 2]"
1 37 ALA 0.553 0.152 20 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 1.133 0.116 13 0 "[ . 1 . 2]"
1 40 PRO 1.133 0.116 13 0 "[ . 1 . 2]"
1 43 TRP 2.106 0.542 20 1 "[ . 1 . +]"
1 44 ARG 0.660 0.333 20 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.635 0.142 6 0 "[ . 1 . 2]"
1 51 GLU 4.214 0.458 19 0 "[ . 1 . 2]"
1 52 PRO 3.080 0.458 19 0 "[ . 1 . 2]"
1 54 VAL 3.234 0.383 14 0 "[ . 1 . 2]"
1 55 GLN 12.604 0.479 6 0 "[ . 1 . 2]"
1 56 ASP 18.359 0.479 6 0 "[ . 1 . 2]"
1 57 LEU 14.556 0.473 17 0 "[ . 1 . 2]"
1 58 LYS 7.277 0.259 18 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.438 0.157 15 0 "[ . 1 . 2]"
1 61 VAL 1.054 0.152 16 0 "[ . 1 . 2]"
1 62 ALA 0.559 0.140 20 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 4.261 0.676 18 4 "[ .- * . +*2]"
1 65 HIS 8.166 0.519 17 1 "[ . 1 . + 2]"
1 66 GLY 10.451 0.519 17 1 "[ . 1 . + 2]"
1 67 ALA 6.891 0.250 20 0 "[ . 1 . 2]"
1 68 VAL 12.943 0.538 8 1 "[ . + 1 . 2]"
1 69 HIS 20.398 0.847 17 3 "[ . *1 -. + 2]"
1 70 GLU 22.188 0.743 7 11 "[** ** + *** *.* - 2]"
1 71 LEU 8.887 0.593 16 9 "[** ** ** *.+ - 2]"
1 72 LEU 32.166 0.847 17 6 "[ - .*** 1 .*+ 2]"
1 73 GLU 7.051 0.436 16 0 "[ . 1 . 2]"
1 74 PHE 30.644 0.743 7 7 "[ . + 1 * -** **]"
1 75 ALA 7.676 0.630 1 4 "[+ . 1 * . -*2]"
1 76 ARG 23.729 0.516 8 1 "[ . + 1 . 2]"
1 77 SER 13.070 0.500 5 0 "[ . 1 . 2]"
1 78 ALA 5.581 0.335 11 0 "[ . 1 . 2]"
1 79 VAL 3.120 0.289 13 0 "[ . 1 . 2]"
1 80 SER 0.996 0.380 4 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 1.712 0.380 4 0 "[ . 1 . 2]"
1 83 THR 0.516 0.328 9 0 "[ . 1 . 2]"
1 84 HIS 0.181 0.079 13 0 "[ . 1 . 2]"
1 89 THR 0.335 0.092 5 0 "[ . 1 . 2]"
1 90 LEU 4.693 0.374 13 0 "[ . 1 . 2]"
1 91 HIS 1.018 0.147 9 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 4.538 0.374 13 0 "[ . 1 . 2]"
1 94 LEU 3.691 0.303 8 0 "[ . 1 . 2]"
1 95 SER 0.048 0.016 7 0 "[ . 1 . 2]"
1 96 ARG 5.909 0.595 5 2 "[ + 1 . - 2]"
1 97 GLN 9.199 0.595 5 2 "[ + 1 . - 2]"
1 98 LEU 8.033 0.434 16 0 "[ . 1 . 2]"
1 99 GLN 9.601 0.379 3 0 "[ . 1 . 2]"
1 100 LYS 7.533 0.434 16 0 "[ . 1 . 2]"
1 101 MET 18.379 0.390 2 0 "[ . 1 . 2]"
1 102 GLU 26.517 0.588 6 1 "[ .+ 1 . 2]"
1 103 ASP 22.375 0.588 6 1 "[ .+ 1 . 2]"
1 104 VAL 4.722 0.304 18 0 "[ . 1 . 2]"
1 105 TYR 27.646 0.563 19 5 "[ .* **1 -. +2]"
1 106 GLN 4.023 0.281 6 0 "[ . 1 . 2]"
1 107 THR 0.856 0.273 18 0 "[ . 1 . 2]"
1 108 LEU 2.395 0.363 18 0 "[ . 1 . 2]"
1 109 VAL 11.914 0.440 17 0 "[ . 1 . 2]"
1 110 VAL 8.289 0.334 18 0 "[ . 1 . 2]"
1 111 HIS 0.663 0.246 2 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLN 17.467 0.440 17 0 "[ . 1 . 2]"
1 114 VAL 0.256 0.079 17 0 "[ . 1 . 2]"
1 115 LEU 5.645 0.328 5 0 "[ . 1 . 2]"
1 116 ASP 2.853 0.198 7 0 "[ . 1 . 2]"
1 117 SER 0.006 0.006 2 0 "[ . 1 . 2]"
1 121 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 PRO 0.927 0.160 1 0 "[ . 1 . 2]"
1 123 GLY 0.187 0.087 18 0 "[ . 1 . 2]"
1 124 PHE 5.221 0.198 7 0 "[ . 1 . 2]"
1 125 THR 0.200 0.050 12 0 "[ . 1 . 2]"
1 126 LEU 8.461 0.311 18 0 "[ . 1 . 2]"
1 127 ASP 5.962 0.311 18 0 "[ . 1 . 2]"
1 128 ASP 6.628 0.264 16 0 "[ . 1 . 2]"
1 129 LEU 24.441 0.471 20 0 "[ . 1 . 2]"
1 130 ASP 8.356 0.383 20 0 "[ . 1 . 2]"
1 131 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 LEU 19.908 0.555 20 7 "[ *.* *1** - +]"
1 133 VAL 5.958 0.309 13 0 "[ . 1 . 2]"
1 134 ALA 9.681 0.555 20 7 "[ *.* *1** - +]"
1 135 CYS 0.110 0.048 5 0 "[ . 1 . 2]"
1 136 SER 4.228 0.484 3 0 "[ . 1 . 2]"
1 137 ARG 17.699 0.570 3 6 "[ +**- *1 .* 2]"
1 138 ALA 5.446 0.318 17 0 "[ . 1 . 2]"
1 139 VAL 11.619 0.563 19 1 "[ . 1 . +2]"
1 140 PRO 0.821 0.067 4 0 "[ . 1 . 2]"
1 141 GLU 14.417 0.570 3 5 "[ +**- 1 .* 2]"
1 142 ASP 4.023 0.303 1 0 "[ . 1 . 2]"
1 143 ALA 2.567 0.227 3 0 "[ . 1 . 2]"
1 144 LYS 9.095 0.426 2 0 "[ . 1 . 2]"
1 145 GLN 7.953 0.472 5 0 "[ . 1 . 2]"
1 146 LEU 6.148 0.536 3 8 "[ *+*. * 1* .- * *]"
1 147 ALA 7.862 0.472 5 0 "[ . 1 . 2]"
1 148 SER 1.290 0.156 4 0 "[ . 1 . 2]"
1 149 PHE 16.636 0.404 3 0 "[ . 1 . 2]"
1 150 LEU 10.252 0.536 15 2 "[ . - 1 + 2]"
1 151 HIS 7.866 0.404 3 0 "[ . 1 . 2]"
1 152 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 ASN 1.848 0.121 17 0 "[ . 1 . 2]"
1 154 ALA 3.103 0.306 12 0 "[ . 1 . 2]"
1 156 LEU 9.500 0.713 10 2 "[ . - + . 2]"
1 157 LEU 15.254 0.447 4 0 "[ . 1 . 2]"
1 158 PHE 42.059 0.549 11 4 "[ **. 1+ - . 2]"
1 159 ARG 9.521 0.549 11 3 "[ *-. 1+ . 2]"
1 160 ARG 1.093 0.396 16 0 "[ . 1 . 2]"
1 161 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 LYS 0.320 0.062 6 0 "[ . 1 . 2]"
1 163 ALA 0.320 0.062 6 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 4 ARG HA 1 4 ARG QB 2.400 . 3.400 2.385 2.198 2.451 . 0 0 "[ . 1 . 2]" 1
2 1 4 ARG HA 1 4 ARG QD 3.600 . 5.000 3.692 2.158 4.268 . 0 0 "[ . 1 . 2]" 1
3 1 4 ARG HA 1 5 GLU H 2.800 . 3.900 2.986 2.235 3.588 . 0 0 "[ . 1 . 2]" 1
4 1 4 ARG QB 1 4 ARG QG 2.000 . 2.800 2.094 2.031 2.109 . 0 0 "[ . 1 . 2]" 1
5 1 4 ARG QG 1 5 GLU H 3.400 . 4.800 3.628 2.163 4.319 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU H 1 5 GLU HB3 2.600 . 3.600 3.298 2.350 3.661 0.061 4 0 "[ . 1 . 2]" 1
7 1 5 GLU H 1 5 GLU QB 3.000 . 4.200 2.534 2.115 2.929 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU QG 3.300 . 4.600 3.555 2.476 4.201 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU HA 1 5 GLU QG 2.600 . 3.600 2.399 2.167 3.252 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU HA 1 6 PRO HD2 2.200 . 3.100 2.501 2.222 3.697 0.597 11 1 "[ . 1+ . 2]" 1
11 1 5 GLU HB3 1 5 GLU QG 2.100 . 2.900 2.364 2.172 2.542 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU HB2 1 5 GLU QG 1.800 . 2.500 2.349 2.185 2.542 0.042 14 0 "[ . 1 . 2]" 1
13 1 5 GLU QG 1 6 PRO HD3 2.900 . 4.100 3.910 3.020 4.367 0.267 16 0 "[ . 1 . 2]" 1
14 1 5 GLU QG 1 6 PRO HD2 2.900 . 4.200 3.209 2.288 4.163 . 0 0 "[ . 1 . 2]" 1
15 1 6 PRO HA 1 6 PRO HB3 2.100 . 2.900 2.306 2.282 2.321 . 0 0 "[ . 1 . 2]" 1
16 1 6 PRO HA 1 6 PRO HB2 2.300 . 3.300 2.830 2.705 2.995 . 0 0 "[ . 1 . 2]" 1
17 1 6 PRO HA 1 6 PRO HD3 3.300 . 4.600 3.639 3.058 3.905 . 0 0 "[ . 1 . 2]" 1
18 1 6 PRO HA 1 7 LEU H 2.500 . 3.500 2.579 2.260 3.569 0.069 14 0 "[ . 1 . 2]" 1
19 1 6 PRO HB3 1 158 PHE HA 6.000 . 8.400 6.117 4.634 7.700 . 0 0 "[ . 1 . 2]" 1
20 1 6 PRO HB2 1 6 PRO HD2 3.000 . 4.200 3.653 3.043 4.051 . 0 0 "[ . 1 . 2]" 1
21 1 6 PRO HB2 1 7 LEU H 2.500 . 3.600 2.877 1.825 3.687 0.087 19 0 "[ . 1 . 2]" 1
22 1 6 PRO HB2 1 158 PHE HA 4.300 . 6.400 5.706 3.555 6.470 0.070 14 0 "[ . 1 . 2]" 1
23 1 6 PRO HD2 1 6 PRO QG 2.300 . 3.200 2.212 2.194 2.260 . 0 0 "[ . 1 . 2]" 1
24 1 7 LEU H 1 7 LEU HB3 3.100 . 4.300 3.649 3.268 3.836 . 0 0 "[ . 1 . 2]" 1
25 1 7 LEU H 1 7 LEU HB2 3.100 . 4.300 2.510 2.091 2.703 . 0 0 "[ . 1 . 2]" 1
26 1 7 LEU H 1 7 LEU HG 2.600 . 3.700 2.776 1.954 3.909 0.209 12 0 "[ . 1 . 2]" 1
27 1 7 LEU H 1 7 LEU MD1 4.100 . 5.700 3.714 1.774 4.099 0.026 2 0 "[ . 1 . 2]" 1
28 1 7 LEU H 1 8 GLU H 2.900 . 4.100 4.243 2.282 4.624 0.524 3 4 "[ *+ - 1 . *]" 1
29 1 7 LEU H 1 158 PHE QD 3.300 . 4.600 4.224 3.457 4.664 0.064 18 0 "[ . 1 . 2]" 1
30 1 7 LEU HA 1 7 LEU HB3 2.700 . 3.800 2.513 2.417 2.864 . 0 0 "[ . 1 . 2]" 1
31 1 7 LEU HA 1 7 LEU HB2 2.600 . 3.700 3.013 2.856 3.037 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU HA 1 7 LEU HG 2.300 . 3.200 3.037 2.356 3.640 0.440 12 0 "[ . 1 . 2]" 1
33 1 7 LEU HA 1 7 LEU QD 2.500 . 3.500 2.125 1.935 2.622 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU HA 1 7 LEU MD1 2.600 . 3.700 3.576 2.131 3.870 0.170 1 0 "[ . 1 . 2]" 1
35 1 7 LEU HA 1 8 GLU H 2.500 . 3.500 2.530 2.202 3.518 0.018 11 0 "[ . 1 . 2]" 1
36 1 7 LEU HB3 1 7 LEU QD 2.900 . 4.000 2.081 2.018 2.289 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU HB3 1 8 GLU H 2.900 . 4.100 2.820 2.006 3.411 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU HB3 1 12 ALA MB 3.100 . 4.400 3.539 2.576 4.431 0.031 7 0 "[ . 1 . 2]" 1
39 1 7 LEU HB3 1 158 PHE QD 3.600 . 5.100 4.074 2.304 5.120 0.020 12 0 "[ . 1 . 2]" 1
40 1 7 LEU HB3 1 158 PHE QE 4.100 . 5.700 4.236 2.604 5.226 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU HB2 1 7 LEU QD 2.900 . 4.100 2.280 2.023 2.365 . 0 0 "[ . 1 . 2]" 1
42 1 7 LEU HB2 1 8 GLU H 2.900 . 4.100 3.663 2.958 4.174 0.074 15 0 "[ . 1 . 2]" 1
43 1 7 LEU HB2 1 12 ALA MB 3.200 . 4.500 3.889 2.714 4.511 0.011 10 0 "[ . 1 . 2]" 1
44 1 7 LEU HB2 1 158 PHE QD 3.700 . 5.200 3.116 2.277 4.333 . 0 0 "[ . 1 . 2]" 1
45 1 7 LEU HB2 1 158 PHE QE 3.800 . 5.300 3.569 2.938 4.192 . 0 0 "[ . 1 . 2]" 1
46 1 7 LEU MD1 1 8 GLU H 4.900 . 6.900 4.619 2.663 5.136 . 0 0 "[ . 1 . 2]" 1
47 1 7 LEU QD 1 8 GLU H 2.800 . 3.900 3.475 2.637 4.099 0.199 19 0 "[ . 1 . 2]" 1
48 1 8 GLU H 1 8 GLU HA 2.500 . 3.500 2.891 2.382 2.991 . 0 0 "[ . 1 . 2]" 1
49 1 8 GLU H 1 8 GLU QB 2.200 . 3.100 2.605 2.358 3.177 0.077 11 0 "[ . 1 . 2]" 1
50 1 8 GLU H 1 8 GLU QG 2.800 . 3.900 3.221 1.832 4.424 0.524 19 2 "[ . - . +2]" 1
51 1 8 GLU H 1 9 LEU H 3.100 . 4.300 4.384 3.107 4.612 0.312 20 0 "[ . 1 . 2]" 1
52 1 8 GLU H 1 10 GLU H 3.500 . 4.900 5.167 4.824 5.632 0.732 10 3 "[ . +- . *2]" 1
53 1 8 GLU H 1 12 ALA MB 3.400 . 4.800 4.486 3.744 4.847 0.047 19 0 "[ . 1 . 2]" 1
54 1 8 GLU HA 1 8 GLU QB 2.500 . 3.500 2.385 2.186 2.492 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLU HA 1 8 GLU QG 2.500 . 3.500 2.440 2.248 3.256 . 0 0 "[ . 1 . 2]" 1
56 1 8 GLU HA 1 9 LEU H 2.800 . 3.900 2.375 2.193 2.612 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLU HA 1 10 GLU H 3.400 . 4.800 4.279 3.705 4.638 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLU HA 1 11 VAL H 3.400 . 4.800 4.638 4.272 4.852 0.052 8 0 "[ . 1 . 2]" 1
59 1 8 GLU QB 1 9 LEU H 2.800 . 3.900 2.934 2.189 3.991 0.091 11 0 "[ . 1 . 2]" 1
60 1 8 GLU QG 1 9 LEU H 3.200 . 4.600 3.420 1.983 4.339 . 0 0 "[ . 1 . 2]" 1
61 1 9 LEU H 1 9 LEU HA 2.900 . 4.200 2.828 2.800 2.861 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU H 1 9 LEU HB3 2.600 . 3.700 2.552 2.307 3.663 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU H 1 9 LEU HB2 2.600 . 3.600 2.713 2.427 3.638 0.038 20 0 "[ . 1 . 2]" 1
64 1 9 LEU H 1 9 LEU HG 3.400 . 4.700 4.096 2.404 4.629 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU H 1 9 LEU MD1 3.100 . 4.300 3.836 1.729 4.321 0.071 8 0 "[ . 1 . 2]" 1
66 1 9 LEU H 1 10 GLU H 3.200 . 4.500 2.784 2.670 2.856 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 11 VAL H 3.100 . 4.400 4.383 4.270 4.503 0.103 8 0 "[ . 1 . 2]" 1
68 1 9 LEU H 1 12 ALA MB 4.100 . 5.800 4.422 4.191 4.650 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU H 1 158 PHE HA 3.900 . 5.500 5.506 4.987 5.703 0.203 17 0 "[ . 1 . 2]" 1
70 1 9 LEU H 1 158 PHE QB 3.200 . 4.500 2.919 2.423 3.235 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU H 1 158 PHE QD 3.600 . 5.100 4.249 3.781 4.996 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HA 1 9 LEU HB3 2.500 . 3.500 2.931 2.510 3.032 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU HA 1 9 LEU HB2 2.400 . 3.400 2.473 2.374 3.027 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU HA 1 9 LEU HG 2.300 . 3.200 3.178 2.203 3.639 0.439 18 0 "[ . 1 . 2]" 1
75 1 9 LEU HA 1 9 LEU MD1 2.300 . 3.200 2.465 2.058 3.583 0.383 20 0 "[ . 1 . 2]" 1
76 1 9 LEU HA 1 10 GLU H 3.300 . 4.600 3.561 3.534 3.589 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU HA 1 12 ALA MB 3.300 . 4.700 2.401 2.266 2.620 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU HA 1 158 PHE QB 2.800 . 3.900 3.228 2.751 3.430 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU HA 1 158 PHE QD 4.100 . 5.800 3.128 2.600 3.561 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU HB3 1 10 GLU H 4.000 . 5.800 2.865 2.535 3.945 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU HB2 1 9 LEU MD1 2.300 . 3.200 2.352 2.142 3.157 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU HB2 1 10 GLU H 4.900 . 7.100 3.845 2.618 4.077 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU MD1 1 10 GLU H 2.800 . 3.900 3.982 2.672 4.648 0.748 13 1 "[ . 1 + . 2]" 1
84 1 10 GLU H 1 10 GLU HA 2.800 . 3.900 2.857 2.826 2.876 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLU H 1 10 GLU HB3 3.100 . 4.400 3.139 2.621 3.638 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLU H 1 10 GLU QB 2.500 . 3.500 2.362 2.251 2.485 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLU H 1 10 GLU HB2 3.100 . 4.300 2.481 2.423 2.531 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLU H 1 10 GLU QG 3.200 . 4.500 3.116 2.050 4.085 . 0 0 "[ . 1 . 2]" 1
89 1 10 GLU H 1 11 VAL H 2.900 . 4.100 2.761 2.675 2.832 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLU H 1 12 ALA H 3.500 . 4.900 4.130 3.967 4.227 . 0 0 "[ . 1 . 2]" 1
91 1 10 GLU HA 1 10 GLU QB 1.900 . 2.700 2.389 2.370 2.405 . 0 0 "[ . 1 . 2]" 1
92 1 10 GLU HA 1 10 GLU QG 2.300 . 3.200 2.433 2.281 2.827 . 0 0 "[ . 1 . 2]" 1
93 1 10 GLU HA 1 11 VAL H 3.200 . 4.500 3.584 3.562 3.606 . 0 0 "[ . 1 . 2]" 1
94 1 10 GLU HA 1 13 VAL H 2.300 . 3.200 3.485 3.339 3.673 0.473 11 0 "[ . 1 . 2]" 1
95 1 10 GLU HA 1 13 VAL MG1 2.300 . 3.200 3.193 2.220 3.711 0.511 16 1 "[ . 1 .+ 2]" 1
96 1 10 GLU HB3 1 11 VAL H 3.400 . 4.800 3.116 2.462 3.766 . 0 0 "[ . 1 . 2]" 1
97 1 10 GLU HB2 1 11 VAL H 3.600 . 5.100 3.241 2.505 3.945 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLU QG 1 11 VAL H 3.300 . 4.700 3.919 3.629 4.409 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL H 1 11 VAL HA 2.900 . 4.000 2.898 2.877 2.920 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL H 1 11 VAL HB 2.600 . 3.600 2.459 2.323 2.568 . 0 0 "[ . 1 . 2]" 1
101 1 11 VAL H 1 11 VAL MG1 4.000 . 5.600 3.773 3.716 3.804 . 0 0 "[ . 1 . 2]" 1
102 1 11 VAL H 1 11 VAL QG 3.000 . 4.200 2.299 1.991 2.563 . 0 0 "[ . 1 . 2]" 1
103 1 11 VAL H 1 11 VAL MG2 3.200 . 4.500 2.321 1.998 2.612 . 0 0 "[ . 1 . 2]" 1
104 1 11 VAL H 1 12 ALA H 2.700 . 3.800 2.531 2.401 2.654 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL H 1 13 VAL H 2.700 . 3.800 3.996 3.866 4.221 0.421 15 0 "[ . 1 . 2]" 1
106 1 11 VAL HA 1 12 ALA H 3.300 . 4.600 3.543 3.515 3.562 . 0 0 "[ . 1 . 2]" 1
107 1 11 VAL HA 1 14 GLU H 3.000 . 4.200 3.322 3.114 3.534 . 0 0 "[ . 1 . 2]" 1
108 1 11 VAL HA 1 14 GLU QB 2.600 . 3.600 2.596 2.247 3.850 0.250 16 0 "[ . 1 . 2]" 1
109 1 11 VAL HA 1 14 GLU HG2 2.400 . 3.400 3.606 2.999 3.845 0.445 4 0 "[ . 1 . 2]" 1
110 1 11 VAL HB 1 12 ALA H 2.500 . 3.500 2.522 2.373 2.689 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL MG1 1 12 ALA H 5.100 . 7.100 3.332 3.119 3.494 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL QG 1 12 ALA H 3.100 . 4.300 3.137 3.015 3.254 . 0 0 "[ . 1 . 2]" 1
113 1 11 VAL MG2 1 12 ALA H 5.100 . 7.100 3.840 3.673 3.998 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA H 1 12 ALA HA 3.000 . 4.200 2.839 2.815 2.865 . 0 0 "[ . 1 . 2]" 1
115 1 12 ALA H 1 12 ALA MB 3.100 . 4.400 2.180 2.042 2.247 . 0 0 "[ . 1 . 2]" 1
116 1 12 ALA H 1 14 GLU H 3.200 . 4.500 4.143 3.971 4.469 . 0 0 "[ . 1 . 2]" 1
117 1 12 ALA HA 1 15 THR HB 2.500 . 3.500 3.394 2.641 3.795 0.295 15 0 "[ . 1 . 2]" 1
118 1 12 ALA HA 1 158 PHE QE 3.200 . 4.500 4.494 4.153 4.668 0.168 16 0 "[ . 1 . 2]" 1
119 1 12 ALA MB 1 13 VAL H 3.200 . 4.500 2.544 2.421 2.683 . 0 0 "[ . 1 . 2]" 1
120 1 12 ALA MB 1 15 THR HB 3.700 . 5.300 4.827 4.240 5.167 . 0 0 "[ . 1 . 2]" 1
121 1 12 ALA MB 1 158 PHE QB 5.300 . 6.100 4.062 3.426 4.481 . 0 0 "[ . 1 . 2]" 1
122 1 12 ALA MB 1 158 PHE QD 4.100 . 5.800 3.272 2.805 3.520 . 0 0 "[ . 1 . 2]" 1
123 1 12 ALA MB 1 158 PHE QE 3.700 . 5.200 2.429 2.025 2.711 . 0 0 "[ . 1 . 2]" 1
124 1 12 ALA MB 1 158 PHE HZ 4.200 . 5.900 2.417 2.101 3.039 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL H 1 13 VAL HA 2.300 . 3.200 2.888 2.868 2.900 . 0 0 "[ . 1 . 2]" 1
126 1 13 VAL H 1 13 VAL HB 2.200 . 3.100 2.477 2.153 3.664 0.564 20 3 "[ . 1 - . * +]" 1
127 1 13 VAL H 1 13 VAL MG1 2.900 . 4.100 3.124 1.690 3.647 0.110 15 0 "[ . 1 . 2]" 1
128 1 13 VAL H 1 14 GLU H 2.800 . 3.900 2.603 2.512 2.690 . 0 0 "[ . 1 . 2]" 1
129 1 13 VAL HA 1 14 GLU H 2.400 . 3.400 3.546 3.507 3.567 0.167 9 0 "[ . 1 . 2]" 1
130 1 13 VAL HA 1 16 LEU HB3 2.600 . 3.700 3.133 2.623 4.072 0.372 14 0 "[ . 1 . 2]" 1
131 1 13 VAL HA 1 16 LEU HB2 2.600 . 3.700 3.631 2.439 3.947 0.247 16 0 "[ . 1 . 2]" 1
132 1 14 GLU H 1 14 GLU HA 2.300 . 3.300 2.895 2.879 2.913 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLU H 1 14 GLU QB 2.700 . 3.800 2.258 2.074 2.920 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLU H 1 14 GLU HG3 3.200 . 4.500 3.994 1.757 4.472 0.043 16 0 "[ . 1 . 2]" 1
135 1 14 GLU H 1 14 GLU HG2 2.700 . 3.800 3.348 1.896 3.997 0.197 19 0 "[ . 1 . 2]" 1
136 1 14 GLU H 1 15 THR H 2.700 . 3.800 2.663 2.577 2.744 . 0 0 "[ . 1 . 2]" 1
137 1 14 GLU HA 1 14 GLU QB 2.300 . 3.200 2.235 2.171 2.364 . 0 0 "[ . 1 . 2]" 1
138 1 14 GLU HA 1 14 GLU HG3 2.400 . 3.400 3.139 2.791 3.791 0.391 2 0 "[ . 1 . 2]" 1
139 1 14 GLU HA 1 14 GLU HG2 2.200 . 3.100 3.429 2.959 3.611 0.511 4 3 "[ +. - 1 . *]" 1
140 1 14 GLU HA 1 17 ALA MB 2.100 . 2.900 2.612 2.303 2.944 0.044 8 0 "[ . 1 . 2]" 1
141 1 14 GLU QB 1 15 THR H 2.700 . 3.800 2.613 2.268 2.762 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLU HG3 1 15 THR H 3.000 . 4.200 3.783 2.783 4.692 0.492 2 0 "[ . 1 . 2]" 1
143 1 14 GLU HG2 1 15 THR H 2.600 . 3.600 2.957 2.433 4.107 0.507 9 2 "[ - . +1 . 2]" 1
144 1 15 THR H 1 15 THR HA 2.500 . 3.500 2.857 2.839 2.884 . 0 0 "[ . 1 . 2]" 1
145 1 15 THR H 1 15 THR HB 2.300 . 3.200 2.914 2.271 3.463 0.263 15 0 "[ . 1 . 2]" 1
146 1 15 THR H 1 15 THR MG 2.800 . 3.900 3.329 2.514 3.778 . 0 0 "[ . 1 . 2]" 1
147 1 15 THR H 1 74 PHE QD 3.700 . 5.200 5.469 5.142 5.802 0.602 19 1 "[ . 1 . +2]" 1
148 1 15 THR HA 1 15 THR HB 2.500 . 3.500 2.880 2.609 3.035 . 0 0 "[ . 1 . 2]" 1
149 1 15 THR HA 1 17 ALA H 3.300 . 4.600 4.429 4.041 4.635 0.035 6 0 "[ . 1 . 2]" 1
150 1 15 THR HA 1 18 ARG H 2.800 . 4.000 3.517 3.233 3.713 . 0 0 "[ . 1 . 2]" 1
151 1 15 THR HA 1 18 ARG QB 2.500 . 3.500 2.959 2.418 3.351 . 0 0 "[ . 1 . 2]" 1
152 1 15 THR HA 1 18 ARG QG 2.900 . 4.100 3.584 2.435 4.471 0.371 11 0 "[ . 1 . 2]" 1
153 1 15 THR HB 1 16 LEU H 2.400 . 3.300 2.862 2.411 3.670 0.370 5 0 "[ . 1 . 2]" 1
154 1 15 THR HB 1 74 PHE QD 3.800 . 5.300 3.076 2.292 4.753 . 0 0 "[ . 1 . 2]" 1
155 1 15 THR MG 1 19 LEU MD2 3.200 . 4.600 3.799 2.005 4.701 0.101 4 0 "[ . 1 . 2]" 1
156 1 15 THR MG 1 74 PHE QD 4.000 . 5.600 3.080 2.138 3.870 . 0 0 "[ . 1 . 2]" 1
157 1 16 LEU H 1 16 LEU MD2 3.700 . 5.200 4.139 3.307 4.381 . 0 0 "[ . 1 . 2]" 1
158 1 16 LEU H 1 17 ALA H 2.600 . 3.600 2.690 2.540 2.862 . 0 0 "[ . 1 . 2]" 1
159 1 16 LEU H 1 18 ARG H 2.900 . 4.100 4.215 4.067 4.366 0.266 12 0 "[ . 1 . 2]" 1
160 1 16 LEU H 1 74 PHE QD 3.200 . 4.500 3.963 3.386 4.722 0.222 12 0 "[ . 1 . 2]" 1
161 1 16 LEU HA 1 16 LEU HB3 2.500 . 3.500 2.980 2.628 3.034 . 0 0 "[ . 1 . 2]" 1
162 1 16 LEU HA 1 16 LEU HB2 2.600 . 3.600 2.601 2.407 3.000 . 0 0 "[ . 1 . 2]" 1
163 1 16 LEU HA 1 16 LEU MD1 3.100 . 4.400 2.830 2.080 3.758 . 0 0 "[ . 1 . 2]" 1
164 1 16 LEU HA 1 16 LEU MD2 4.500 . 6.300 3.083 1.891 3.827 . 0 0 "[ . 1 . 2]" 1
165 1 16 LEU HA 1 17 ALA H 3.800 . 5.400 3.551 3.503 3.574 . 0 0 "[ . 1 . 2]" 1
166 1 16 LEU HA 1 19 LEU HB3 3.200 . 4.500 4.185 3.750 4.510 0.010 20 0 "[ . 1 . 2]" 1
167 1 16 LEU HA 1 19 LEU HB2 3.300 . 4.600 2.696 2.308 2.970 . 0 0 "[ . 1 . 2]" 1
168 1 16 LEU HA 1 19 LEU MD1 3.200 . 4.500 3.465 2.416 4.517 0.017 8 0 "[ . 1 . 2]" 1
169 1 16 LEU HA 1 19 LEU MD2 3.600 . 5.200 2.903 2.226 3.622 . 0 0 "[ . 1 . 2]" 1
170 1 16 LEU HA 1 74 PHE QD 3.800 . 5.300 3.164 2.267 4.875 . 0 0 "[ . 1 . 2]" 1
171 1 16 LEU HB3 1 17 ALA H 3.000 . 4.200 2.669 2.371 3.613 . 0 0 "[ . 1 . 2]" 1
172 1 16 LEU HB2 1 17 ALA H 2.700 . 3.800 3.649 2.681 3.914 0.114 12 0 "[ . 1 . 2]" 1
173 1 16 LEU MD2 1 74 PHE QD 4.700 . 6.600 4.769 2.406 6.542 . 0 0 "[ . 1 . 2]" 1
174 1 17 ALA H 1 17 ALA HA 2.400 . 3.400 2.851 2.818 2.875 . 0 0 "[ . 1 . 2]" 1
175 1 17 ALA H 1 17 ALA MB 2.600 . 3.600 2.154 2.027 2.245 . 0 0 "[ . 1 . 2]" 1
176 1 17 ALA H 1 19 LEU H 3.000 . 4.200 4.110 4.013 4.255 0.055 19 0 "[ . 1 . 2]" 1
177 1 17 ALA H 1 74 PHE QR 3.300 . 4.600 4.963 4.695 5.294 0.694 20 4 "[ . 1 -** +]" 1
178 1 17 ALA HA 1 20 GLN HB2 2.500 . 3.500 2.783 2.341 3.332 . 0 0 "[ . 1 . 2]" 1
179 1 17 ALA HA 1 20 GLN QG 2.600 . 3.700 3.391 2.799 3.943 0.243 3 0 "[ . 1 . 2]" 1
180 1 17 ALA MB 1 18 ARG H 2.600 . 3.700 2.622 2.495 2.792 . 0 0 "[ . 1 . 2]" 1
181 1 18 ARG H 1 18 ARG QB 2.200 . 3.100 2.337 2.071 2.555 . 0 0 "[ . 1 . 2]" 1
182 1 18 ARG H 1 18 ARG QD 2.800 . 3.900 3.754 2.077 4.431 0.531 7 1 "[ . + 1 . 2]" 1
183 1 18 ARG H 1 19 LEU H 2.500 . 3.500 2.628 2.581 2.756 . 0 0 "[ . 1 . 2]" 1
184 1 19 LEU HA 1 19 LEU HB3 2.600 . 3.700 2.696 2.610 2.768 . 0 0 "[ . 1 . 2]" 1
185 1 19 LEU HA 1 19 LEU HB2 2.500 . 3.500 2.976 2.934 3.012 . 0 0 "[ . 1 . 2]" 1
186 1 19 LEU HA 1 19 LEU HG 2.300 . 3.200 2.471 2.249 2.699 . 0 0 "[ . 1 . 2]" 1
187 1 19 LEU HA 1 19 LEU MD1 2.600 . 3.800 2.215 2.065 2.492 . 0 0 "[ . 1 . 2]" 1
188 1 19 LEU HA 1 19 LEU MD2 3.100 . 4.400 3.730 3.677 3.795 . 0 0 "[ . 1 . 2]" 1
189 1 19 LEU HA 1 22 GLY H 2.800 . 3.900 3.432 3.239 3.539 . 0 0 "[ . 1 . 2]" 1
190 1 19 LEU HB3 1 19 LEU MD1 2.700 . 3.800 3.187 3.174 3.204 . 0 0 "[ . 1 . 2]" 1
191 1 19 LEU HB3 1 19 LEU MD2 3.400 . 4.700 2.438 2.346 2.536 . 0 0 "[ . 1 . 2]" 1
192 1 19 LEU HB2 1 19 LEU MD2 2.700 . 3.800 2.250 2.141 2.375 . 0 0 "[ . 1 . 2]" 1
193 1 19 LEU MD1 1 19 LEU MD2 2.900 . 4.100 2.008 1.907 2.070 . 0 0 "[ . 1 . 2]" 1
194 1 19 LEU MD1 1 70 GLU QB 2.900 . 4.100 3.221 2.688 4.292 0.192 20 0 "[ . 1 . 2]" 1
195 1 19 LEU MD1 1 70 GLU HG3 3.000 . 4.200 3.959 2.762 4.407 0.207 11 0 "[ . 1 . 2]" 1
196 1 19 LEU MD1 1 70 GLU HG2 4.300 . 6.400 4.992 3.492 5.497 . 0 0 "[ . 1 . 2]" 1
197 1 19 LEU MD1 1 71 LEU H 6.000 . 8.400 5.281 5.085 5.450 . 0 0 "[ . 1 . 2]" 1
198 1 19 LEU MD1 1 74 PHE QD 5.400 . 7.600 3.446 2.300 4.611 . 0 0 "[ . 1 . 2]" 1
199 1 19 LEU MD2 1 70 GLU H 3.900 . 5.500 4.625 3.981 5.508 0.008 15 0 "[ . 1 . 2]" 1
200 1 19 LEU MD2 1 70 GLU QB 5.000 . 7.200 2.579 1.977 4.133 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU MD2 1 71 LEU H 3.300 . 4.600 3.221 2.542 3.921 . 0 0 "[ . 1 . 2]" 1
202 1 19 LEU MD2 1 71 LEU HA 3.200 . 4.500 2.092 1.961 2.227 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU MD2 1 71 LEU HB3 3.400 . 4.800 4.260 3.758 4.821 0.021 8 0 "[ . 1 . 2]" 1
204 1 19 LEU MD2 1 71 LEU MD2 6.000 . 8.400 4.214 2.040 5.092 . 0 0 "[ . 1 . 2]" 1
205 1 19 LEU MD2 1 74 PHE H 4.600 . 6.400 3.496 3.192 3.999 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU MD2 1 74 PHE HA 3.900 . 5.500 4.448 4.220 5.065 . 0 0 "[ . 1 . 2]" 1
207 1 19 LEU MD2 1 74 PHE QB 3.900 . 5.400 2.302 2.074 2.774 . 0 0 "[ . 1 . 2]" 1
208 1 19 LEU MD2 1 74 PHE QD 3.900 . 5.500 2.451 2.204 2.705 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU MD2 1 75 ALA H 2.700 . 3.800 4.181 3.849 4.430 0.630 1 4 "[+ . 1 * . -*2]" 1
210 1 20 GLN H 1 20 GLN HA 2.400 . 3.400 2.852 2.835 2.869 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLN H 1 20 GLN HB3 2.600 . 3.700 3.554 3.335 3.621 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLN H 1 20 GLN HB2 2.500 . 3.500 2.326 2.067 2.484 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLN H 1 20 GLN QG 3.000 . 4.200 2.573 2.113 3.819 . 0 0 "[ . 1 . 2]" 1
214 1 20 GLN H 1 21 GLN H 2.500 . 3.500 2.702 2.593 2.804 . 0 0 "[ . 1 . 2]" 1
215 1 20 GLN H 1 22 GLY H 2.900 . 4.200 4.316 4.247 4.384 0.184 15 0 "[ . 1 . 2]" 1
216 1 20 GLN HA 1 20 GLN HB2 2.000 . 2.800 2.998 2.879 3.034 0.234 20 0 "[ . 1 . 2]" 1
217 1 20 GLN HA 1 20 GLN QG 2.400 . 3.400 2.440 2.209 2.840 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLN HA 1 21 GLN H 2.700 . 3.800 3.535 3.508 3.578 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLN HA 1 23 VAL H 2.800 . 3.900 3.607 3.468 3.732 . 0 0 "[ . 1 . 2]" 1
220 1 20 GLN HB3 1 20 GLN QG 2.200 . 3.100 2.362 2.192 2.416 . 0 0 "[ . 1 . 2]" 1
221 1 20 GLN HE22 1 20 GLN QG 3.500 . 4.900 3.338 3.271 3.544 . 0 0 "[ . 1 . 2]" 1
222 1 20 GLN QG 1 21 GLN H 3.200 . 4.500 4.315 4.102 4.630 0.130 18 0 "[ . 1 . 2]" 1
223 1 20 GLN QG 1 144 LYS HA 2.300 . 3.400 3.427 2.729 3.604 0.204 17 0 "[ . 1 . 2]" 1
224 1 21 GLN H 1 21 GLN HA 2.000 . 2.800 2.923 2.909 2.930 0.130 14 0 "[ . 1 . 2]" 1
225 1 21 GLN H 1 21 GLN QG 2.500 . 3.500 2.361 1.647 3.491 0.153 9 0 "[ . 1 . 2]" 1
226 1 21 GLN H 1 22 GLY H 2.500 . 3.700 2.493 2.445 2.578 . 0 0 "[ . 1 . 2]" 1
227 1 21 GLN H 1 23 VAL H 2.500 . 3.500 3.759 3.683 3.905 0.405 8 0 "[ . 1 . 2]" 1
228 1 21 GLN HA 1 21 GLN QB 2.000 . 2.800 2.381 2.194 2.456 . 0 0 "[ . 1 . 2]" 1
229 1 21 GLN HA 1 21 GLN QG 2.600 . 3.600 2.565 2.299 3.310 . 0 0 "[ . 1 . 2]" 1
230 1 21 GLN HA 1 22 GLY H 2.400 . 3.400 3.556 3.543 3.577 0.177 12 0 "[ . 1 . 2]" 1
231 1 21 GLN HA 1 25 THR H 4.400 . 6.200 3.657 3.485 3.826 . 0 0 "[ . 1 . 2]" 1
232 1 21 GLN QB 1 22 GLY H 2.700 . 3.800 2.494 2.307 3.297 . 0 0 "[ . 1 . 2]" 1
233 1 21 GLN QB 1 25 THR MG 3.400 . 4.700 4.775 4.633 4.898 0.198 14 0 "[ . 1 . 2]" 1
234 1 21 GLN QG 1 25 THR MG 4.200 . 6.200 6.201 5.420 6.459 0.259 1 0 "[ . 1 . 2]" 1
235 1 22 GLY H 1 22 GLY HA2 2.300 . 3.200 2.854 2.839 2.863 . 0 0 "[ . 1 . 2]" 1
236 1 22 GLY H 1 22 GLY HA3 2.500 . 3.500 2.345 2.340 2.351 . 0 0 "[ . 1 . 2]" 1
237 1 22 GLY H 1 23 VAL H 2.900 . 4.100 2.653 2.610 2.696 . 0 0 "[ . 1 . 2]" 1
238 1 22 GLY H 1 67 ALA MB 3.500 . 4.900 5.032 4.917 5.150 0.250 20 0 "[ . 1 . 2]" 1
239 1 22 GLY HA2 1 23 VAL H 2.800 . 3.900 3.533 3.518 3.549 . 0 0 "[ . 1 . 2]" 1
240 1 22 GLY HA2 1 25 THR HB 2.600 . 3.600 2.316 2.287 2.358 . 0 0 "[ . 1 . 2]" 1
241 1 22 GLY HA3 1 23 VAL H 2.900 . 4.100 2.938 2.915 2.955 . 0 0 "[ . 1 . 2]" 1
242 1 23 VAL H 1 23 VAL HA 2.900 . 4.100 2.901 2.889 2.914 . 0 0 "[ . 1 . 2]" 1
243 1 23 VAL H 1 23 VAL MG2 4.100 . 5.700 2.390 2.232 2.519 . 0 0 "[ . 1 . 2]" 1
244 1 23 VAL H 1 24 SER H 2.500 . 3.500 2.624 2.577 2.675 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL H 1 25 THR H 3.200 . 4.500 3.814 3.663 3.925 . 0 0 "[ . 1 . 2]" 1
246 1 23 VAL H 1 67 ALA MB 2.700 . 3.800 3.730 3.526 3.977 0.177 7 0 "[ . 1 . 2]" 1
247 1 23 VAL HA 1 23 VAL HB 2.700 . 3.800 3.036 3.031 3.039 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL HA 1 23 VAL MG1 2.800 . 4.200 2.340 2.279 2.417 . 0 0 "[ . 1 . 2]" 1
249 1 23 VAL HA 1 23 VAL MG2 2.800 . 3.900 2.324 2.221 2.382 . 0 0 "[ . 1 . 2]" 1
250 1 23 VAL HA 1 24 SER H 2.600 . 3.700 3.573 3.564 3.579 . 0 0 "[ . 1 . 2]" 1
251 1 23 VAL HA 1 26 THR MG 3.700 . 5.200 3.242 3.112 3.460 . 0 0 "[ . 1 . 2]" 1
252 1 23 VAL HA 1 67 ALA MB 3.100 . 4.400 2.520 2.166 3.061 . 0 0 "[ . 1 . 2]" 1
253 1 23 VAL HA 1 143 ALA MB 3.900 . 5.700 5.791 5.369 5.927 0.227 3 0 "[ . 1 . 2]" 1
254 1 23 VAL HB 1 23 VAL MG2 2.200 . 3.100 2.125 2.112 2.151 . 0 0 "[ . 1 . 2]" 1
255 1 23 VAL HB 1 24 SER H 2.300 . 3.200 2.440 2.391 2.477 . 0 0 "[ . 1 . 2]" 1
256 1 23 VAL HB 1 143 ALA MB 2.900 . 4.000 3.952 3.403 4.073 0.073 9 0 "[ . 1 . 2]" 1
257 1 23 VAL MG1 1 24 SER H 4.300 . 6.000 3.216 3.048 3.326 . 0 0 "[ . 1 . 2]" 1
258 1 23 VAL QG 1 24 SER H 3.000 . 4.200 3.060 2.946 3.116 . 0 0 "[ . 1 . 2]" 1
259 1 23 VAL QG 1 140 PRO HA 2.900 . 4.200 2.595 2.378 2.975 . 0 0 "[ . 1 . 2]" 1
260 1 23 VAL MG1 1 140 PRO HA 2.800 . 3.900 2.606 2.383 2.989 . 0 0 "[ . 1 . 2]" 1
261 1 23 VAL MG1 1 140 PRO QD 4.100 . 5.700 3.837 3.381 4.477 . 0 0 "[ . 1 . 2]" 1
262 1 24 SER HA 1 27 VAL MG2 2.700 . 3.800 2.769 2.047 3.436 . 0 0 "[ . 1 . 2]" 1
263 1 24 SER HB3 1 25 THR H 3.200 . 4.500 3.481 2.552 3.825 . 0 0 "[ . 1 . 2]" 1
264 1 25 THR H 1 25 THR HA 2.900 . 4.100 2.857 2.848 2.913 . 0 0 "[ . 1 . 2]" 1
265 1 25 THR H 1 25 THR HB 2.800 . 3.900 2.532 2.476 2.584 . 0 0 "[ . 1 . 2]" 1
266 1 25 THR H 1 25 THR MG 4.300 . 6.100 3.759 3.748 3.774 . 0 0 "[ . 1 . 2]" 1
267 1 25 THR H 1 27 VAL H 2.900 . 4.100 4.100 4.022 4.176 0.076 16 0 "[ . 1 . 2]" 1
268 1 25 THR HA 1 25 THR HB 2.300 . 3.300 3.033 3.030 3.034 . 0 0 "[ . 1 . 2]" 1
269 1 25 THR HA 1 25 THR MG 2.900 . 4.200 2.292 2.255 2.355 . 0 0 "[ . 1 . 2]" 1
270 1 25 THR HA 1 27 VAL H 6.000 . 8.400 4.355 4.235 4.681 . 0 0 "[ . 1 . 2]" 1
271 1 25 THR HA 1 28 ALA MB 2.800 . 4.100 2.907 2.694 3.185 . 0 0 "[ . 1 . 2]" 1
272 1 25 THR HB 1 25 THR MG 2.400 . 3.400 2.125 2.103 2.145 . 0 0 "[ . 1 . 2]" 1
273 1 25 THR HB 1 26 THR H 2.800 . 3.900 2.542 2.499 2.611 . 0 0 "[ . 1 . 2]" 1
274 1 25 THR MG 1 26 THR H 3.700 . 5.200 3.468 3.374 3.577 . 0 0 "[ . 1 . 2]" 1
275 1 26 THR H 1 26 THR HA 2.900 . 4.000 2.876 2.855 2.886 . 0 0 "[ . 1 . 2]" 1
276 1 26 THR H 1 26 THR HB 3.100 . 4.400 3.617 3.595 3.626 . 0 0 "[ . 1 . 2]" 1
277 1 26 THR H 1 26 THR MG 2.900 . 4.100 2.291 2.170 2.514 . 0 0 "[ . 1 . 2]" 1
278 1 26 THR H 1 27 VAL H 2.500 . 3.500 2.629 2.587 2.710 . 0 0 "[ . 1 . 2]" 1
279 1 26 THR H 1 64 VAL MG2 3.600 . 5.000 4.224 4.021 4.814 . 0 0 "[ . 1 . 2]" 1
280 1 26 THR HA 1 26 THR MG 2.500 . 3.500 2.344 2.242 2.398 . 0 0 "[ . 1 . 2]" 1
281 1 26 THR HA 1 27 VAL H 4.600 . 6.500 3.537 3.524 3.567 . 0 0 "[ . 1 . 2]" 1
282 1 26 THR HA 1 29 HIS QB 3.100 . 4.400 2.811 2.564 3.284 . 0 0 "[ . 1 . 2]" 1
283 1 26 THR HA 1 30 LEU H 4.000 . 5.600 4.544 4.193 4.814 . 0 0 "[ . 1 . 2]" 1
284 1 26 THR HA 1 64 VAL MG2 3.000 . 4.200 3.959 3.447 4.384 0.184 13 0 "[ . 1 . 2]" 1
285 1 26 THR HB 1 63 ALA MB 3.000 . 4.200 3.244 2.551 3.840 . 0 0 "[ . 1 . 2]" 1
286 1 26 THR HB 1 64 VAL H 3.000 . 4.200 3.534 2.888 4.297 0.097 20 0 "[ . 1 . 2]" 1
287 1 26 THR HB 1 64 VAL MG2 2.900 . 4.100 2.458 2.164 2.841 . 0 0 "[ . 1 . 2]" 1
288 1 26 THR MG 1 27 VAL H 4.200 . 5.900 3.955 3.894 4.100 . 0 0 "[ . 1 . 2]" 1
289 1 26 THR MG 1 64 VAL H 3.900 . 5.400 4.301 3.321 4.996 . 0 0 "[ . 1 . 2]" 1
290 1 26 THR MG 1 64 VAL HA 2.800 . 3.900 3.006 2.515 3.387 . 0 0 "[ . 1 . 2]" 1
291 1 26 THR MG 1 64 VAL MG2 3.300 . 4.900 3.555 3.415 3.719 . 0 0 "[ . 1 . 2]" 1
292 1 27 VAL H 1 27 VAL HA 3.000 . 4.200 2.874 2.852 2.904 . 0 0 "[ . 1 . 2]" 1
293 1 27 VAL H 1 27 VAL HB 2.500 . 3.600 2.516 2.359 3.622 0.022 1 0 "[ . 1 . 2]" 1
294 1 27 VAL H 1 27 VAL MG1 2.900 . 4.100 3.677 1.976 3.794 . 0 0 "[ . 1 . 2]" 1
295 1 27 VAL H 1 27 VAL MG2 3.300 . 4.700 2.310 2.010 2.530 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL H 1 29 HIS H 2.800 . 3.900 4.136 4.064 4.250 0.350 13 0 "[ . 1 . 2]" 1
297 1 27 VAL H 1 64 VAL MG2 5.100 . 7.100 3.007 2.615 3.657 . 0 0 "[ . 1 . 2]" 1
298 1 27 VAL HA 1 27 VAL HB 2.400 . 3.400 3.002 2.455 3.035 . 0 0 "[ . 1 . 2]" 1
299 1 27 VAL HA 1 27 VAL MG1 2.600 . 3.700 2.353 2.279 2.445 . 0 0 "[ . 1 . 2]" 1
300 1 27 VAL HA 1 27 VAL MG2 2.800 . 4.100 2.349 2.152 3.194 . 0 0 "[ . 1 . 2]" 1
301 1 27 VAL HA 1 28 ALA H 3.200 . 4.500 3.546 3.531 3.556 . 0 0 "[ . 1 . 2]" 1
302 1 27 VAL HA 1 29 HIS H 3.000 . 4.200 4.241 4.109 4.382 0.182 4 0 "[ . 1 . 2]" 1
303 1 27 VAL HA 1 30 LEU H 2.900 . 4.100 3.369 3.200 3.521 . 0 0 "[ . 1 . 2]" 1
304 1 27 VAL HA 1 30 LEU HB3 2.500 . 3.500 3.165 2.728 3.582 0.082 14 0 "[ . 1 . 2]" 1
305 1 27 VAL HA 1 30 LEU HB2 3.200 . 4.500 3.449 3.087 3.766 . 0 0 "[ . 1 . 2]" 1
306 1 27 VAL HA 1 31 LEU H 3.300 . 4.700 4.249 3.994 4.624 . 0 0 "[ . 1 . 2]" 1
307 1 27 VAL MG1 1 27 VAL MG2 2.500 . 3.500 1.980 1.869 2.073 . 0 0 "[ . 1 . 2]" 1
308 1 28 ALA HA 1 29 HIS H 2.300 . 3.200 3.540 3.528 3.560 0.360 19 0 "[ . 1 . 2]" 1
309 1 28 ALA HA 1 31 LEU H 3.300 . 4.600 3.507 3.375 3.704 . 0 0 "[ . 1 . 2]" 1
310 1 28 ALA HA 1 31 LEU HB3 2.700 . 3.800 3.873 3.447 4.091 0.291 9 0 "[ . 1 . 2]" 1
311 1 28 ALA HA 1 31 LEU HB2 2.500 . 3.500 2.828 2.422 3.410 . 0 0 "[ . 1 . 2]" 1
312 1 28 ALA MB 1 29 HIS H 2.600 . 3.800 2.579 2.455 2.694 . 0 0 "[ . 1 . 2]" 1
313 1 29 HIS H 1 29 HIS HA 2.500 . 3.500 2.840 2.823 2.877 . 0 0 "[ . 1 . 2]" 1
314 1 29 HIS H 1 29 HIS QB 2.600 . 3.600 2.219 2.107 2.551 . 0 0 "[ . 1 . 2]" 1
315 1 29 HIS H 1 29 HIS HD2 3.300 . 4.600 4.797 4.222 4.975 0.375 5 0 "[ . 1 . 2]" 1
316 1 29 HIS H 1 30 LEU H 2.900 . 4.000 2.819 2.638 2.892 . 0 0 "[ . 1 . 2]" 1
317 1 29 HIS H 1 31 LEU H 3.300 . 4.600 4.272 4.177 4.361 . 0 0 "[ . 1 . 2]" 1
318 1 29 HIS HA 1 29 HIS HB3 2.200 . 3.100 2.955 2.433 3.032 . 0 0 "[ . 1 . 2]" 1
319 1 29 HIS HA 1 29 HIS HB2 2.000 . 2.800 2.459 2.281 3.033 0.233 1 0 "[ . 1 . 2]" 1
320 1 29 HIS HA 1 29 HIS HD2 4.100 . 5.800 3.955 2.310 4.816 . 0 0 "[ . 1 . 2]" 1
321 1 29 HIS HA 1 30 LEU H 3.100 . 4.300 3.577 3.560 3.588 . 0 0 "[ . 1 . 2]" 1
322 1 29 HIS HA 1 31 LEU H 3.600 . 5.000 4.583 4.434 4.729 . 0 0 "[ . 1 . 2]" 1
323 1 29 HIS HA 1 32 ASP HB3 2.700 . 3.800 3.030 2.309 3.861 0.061 4 0 "[ . 1 . 2]" 1
324 1 29 HIS HA 1 32 ASP HB2 2.600 . 3.700 2.673 2.232 3.385 . 0 0 "[ . 1 . 2]" 1
325 1 29 HIS QB 1 29 HIS HD2 3.100 . 4.400 2.891 2.686 3.325 . 0 0 "[ . 1 . 2]" 1
326 1 29 HIS HB3 1 30 LEU H 2.900 . 4.100 2.595 2.282 3.679 . 0 0 "[ . 1 . 2]" 1
327 1 29 HIS QB 1 30 LEU H 2.600 . 3.700 2.490 2.257 3.252 . 0 0 "[ . 1 . 2]" 1
328 1 29 HIS HB2 1 29 HIS HD2 2.700 . 3.800 3.599 2.759 3.979 0.179 19 0 "[ . 1 . 2]" 1
329 1 29 HIS HB2 1 30 LEU H 2.600 . 3.600 3.727 2.495 3.965 0.365 3 0 "[ . 1 . 2]" 1
330 1 29 HIS HD2 1 60 ALA HA 3.800 . 5.500 3.986 2.480 5.556 0.056 2 0 "[ . 1 . 2]" 1
331 1 29 HIS HD2 1 60 ALA MB 3.200 . 4.600 3.066 2.067 4.757 0.157 15 0 "[ . 1 . 2]" 1
332 1 30 LEU H 1 30 LEU HA 2.600 . 3.700 2.827 2.814 2.836 . 0 0 "[ . 1 . 2]" 1
333 1 30 LEU H 1 30 LEU HB3 2.900 . 4.000 2.666 2.533 2.957 . 0 0 "[ . 1 . 2]" 1
334 1 30 LEU H 1 30 LEU HB2 2.900 . 4.100 2.430 2.191 2.522 . 0 0 "[ . 1 . 2]" 1
335 1 30 LEU H 1 30 LEU HG 3.000 . 4.200 4.427 4.312 4.575 0.375 14 0 "[ . 1 . 2]" 1
336 1 30 LEU H 1 31 LEU H 2.600 . 3.700 2.828 2.794 2.862 . 0 0 "[ . 1 . 2]" 1
337 1 30 LEU H 1 32 ASP H 2.800 . 3.900 4.017 3.927 4.128 0.228 6 0 "[ . 1 . 2]" 1
338 1 30 LEU HA 1 30 LEU HB2 2.900 . 4.100 2.516 2.456 2.666 . 0 0 "[ . 1 . 2]" 1
339 1 30 LEU HA 1 30 LEU HG 2.500 . 3.500 2.581 2.256 3.567 0.067 14 0 "[ . 1 . 2]" 1
340 1 30 LEU HB2 1 30 LEU HG 2.400 . 3.400 2.888 2.504 3.035 . 0 0 "[ . 1 . 2]" 1
341 1 30 LEU HB2 1 30 LEU QD 2.800 . 3.900 2.093 2.048 2.188 . 0 0 "[ . 1 . 2]" 1
342 1 30 LEU HB2 1 31 LEU H 2.800 . 3.900 3.730 3.458 3.852 . 0 0 "[ . 1 . 2]" 1
343 1 30 LEU HG 1 31 LEU H 3.300 . 4.600 4.030 3.582 4.782 0.182 14 0 "[ . 1 . 2]" 1
344 1 31 LEU H 1 31 LEU HA 2.300 . 3.200 2.886 2.865 2.898 . 0 0 "[ . 1 . 2]" 1
345 1 31 LEU H 1 31 LEU HB3 2.900 . 4.000 3.376 3.089 3.598 . 0 0 "[ . 1 . 2]" 1
346 1 31 LEU H 1 31 LEU HB2 2.900 . 4.100 2.169 2.083 2.404 . 0 0 "[ . 1 . 2]" 1
347 1 31 LEU H 1 31 LEU HG 2.700 . 3.800 3.460 2.367 4.031 0.231 7 0 "[ . 1 . 2]" 1
348 1 31 LEU H 1 31 LEU MD2 4.700 . 6.600 3.932 1.934 4.225 . 0 0 "[ . 1 . 2]" 1
349 1 31 LEU H 1 32 ASP H 2.600 . 3.600 2.575 2.522 2.643 . 0 0 "[ . 1 . 2]" 1
350 1 31 LEU H 1 33 LEU H 2.900 . 4.000 4.121 4.042 4.187 0.187 13 0 "[ . 1 . 2]" 1
351 1 31 LEU HA 1 31 LEU HB3 2.800 . 3.900 2.762 2.518 2.933 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU HA 1 31 LEU HB2 2.600 . 3.600 2.915 2.765 3.028 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU HA 1 31 LEU MD2 2.300 . 3.200 2.371 2.164 3.519 0.319 2 0 "[ . 1 . 2]" 1
354 1 31 LEU HB3 1 31 LEU HG 2.100 . 2.900 2.934 2.521 3.034 0.134 4 0 "[ . 1 . 2]" 1
355 1 31 LEU HB3 1 31 LEU QD 2.900 . 4.100 2.084 2.039 2.183 . 0 0 "[ . 1 . 2]" 1
356 1 31 LEU HB3 1 32 ASP H 3.400 . 4.900 3.201 2.789 3.714 . 0 0 "[ . 1 . 2]" 1
357 1 31 LEU HB2 1 31 LEU QD 2.800 . 3.900 2.232 2.078 2.332 . 0 0 "[ . 1 . 2]" 1
358 1 31 LEU HB2 1 32 ASP H 3.000 . 4.300 3.068 2.756 3.445 . 0 0 "[ . 1 . 2]" 1
359 1 31 LEU QD 1 32 ASP H 2.800 . 3.900 3.943 3.757 4.146 0.246 14 0 "[ . 1 . 2]" 1
360 1 32 ASP H 1 32 ASP HB3 2.500 . 3.500 3.088 2.606 3.613 0.113 20 0 "[ . 1 . 2]" 1
361 1 32 ASP H 1 32 ASP QB 2.600 . 3.600 2.327 2.246 2.416 . 0 0 "[ . 1 . 2]" 1
362 1 32 ASP H 1 32 ASP HB2 2.500 . 3.500 2.452 2.388 2.533 . 0 0 "[ . 1 . 2]" 1
363 1 32 ASP H 1 33 LEU H 2.100 . 2.900 2.649 2.516 2.732 . 0 0 "[ . 1 . 2]" 1
364 1 32 ASP HA 1 32 ASP HB3 2.400 . 3.300 2.804 2.516 3.034 . 0 0 "[ . 1 . 2]" 1
365 1 32 ASP HA 1 32 ASP HB2 2.400 . 3.400 2.759 2.511 3.035 . 0 0 "[ . 1 . 2]" 1
366 1 32 ASP HA 1 33 LEU H 2.500 . 3.500 3.550 3.534 3.564 0.064 4 0 "[ . 1 . 2]" 1
367 1 32 ASP HA 1 35 GLY H 3.100 . 4.300 3.558 3.378 3.713 . 0 0 "[ . 1 . 2]" 1
368 1 32 ASP HB3 1 33 LEU H 2.400 . 3.400 3.059 2.550 3.609 0.209 13 0 "[ . 1 . 2]" 1
369 1 32 ASP QB 1 33 LEU H 2.200 . 3.100 2.575 2.502 2.657 . 0 0 "[ . 1 . 2]" 1
370 1 32 ASP HB2 1 33 LEU H 2.800 . 4.000 3.280 2.557 3.885 . 0 0 "[ . 1 . 2]" 1
371 1 33 LEU HA 1 33 LEU QB 2.300 . 3.200 2.433 2.387 2.523 . 0 0 "[ . 1 . 2]" 1
372 1 33 LEU QB 1 33 LEU MD2 2.200 . 3.100 2.129 2.057 2.295 . 0 0 "[ . 1 . 2]" 1
373 1 33 LEU QB 1 34 VAL H 2.700 . 3.800 2.578 2.438 2.780 . 0 0 "[ . 1 . 2]" 1
374 1 33 LEU MD2 1 56 ASP QB 4.900 . 6.900 3.399 2.222 5.051 . 0 0 "[ . 1 . 2]" 1
375 1 34 VAL H 1 34 VAL HA 2.900 . 4.100 2.870 2.828 2.929 . 0 0 "[ . 1 . 2]" 1
376 1 34 VAL H 1 34 VAL HB 2.600 . 3.600 2.625 2.309 3.645 0.045 2 0 "[ . 1 . 2]" 1
377 1 34 VAL H 1 34 VAL MG1 3.200 . 4.500 3.422 2.307 3.770 . 0 0 "[ . 1 . 2]" 1
378 1 34 VAL HA 1 37 ALA H 2.600 . 3.600 3.413 3.121 3.752 0.152 20 0 "[ . 1 . 2]" 1
379 1 34 VAL HA 1 37 ALA MB 3.600 . 5.200 3.441 2.339 5.054 . 0 0 "[ . 1 . 2]" 1
380 1 34 VAL HB 1 34 VAL MG1 2.100 . 3.000 2.129 2.109 2.144 . 0 0 "[ . 1 . 2]" 1
381 1 34 VAL HB 1 35 GLY H 3.000 . 4.200 2.970 2.400 4.134 . 0 0 "[ . 1 . 2]" 1
382 1 34 VAL QG 1 35 GLY H 3.400 . 4.800 2.908 1.826 3.311 . 0 0 "[ . 1 . 2]" 1
383 1 35 GLY H 1 35 GLY QA 2.400 . 3.300 2.238 2.235 2.246 . 0 0 "[ . 1 . 2]" 1
384 1 36 SER H 1 36 SER HA 2.500 . 3.500 2.754 2.346 2.993 . 0 0 "[ . 1 . 2]" 1
385 1 36 SER H 1 36 SER QB 2.400 . 3.400 2.658 2.267 3.434 0.034 13 0 "[ . 1 . 2]" 1
386 1 38 SER HA 1 38 SER QB 2.200 . 3.100 2.342 2.186 2.474 . 0 0 "[ . 1 . 2]" 1
387 1 39 GLY H 1 40 PRO QD 3.700 . 5.200 4.297 4.215 4.358 . 0 0 "[ . 1 . 2]" 1
388 1 39 GLY HA3 1 40 PRO QG 2.900 . 4.100 4.157 4.107 4.216 0.116 13 0 "[ . 1 . 2]" 1
389 1 39 GLY HA3 1 40 PRO QD 2.400 . 3.400 2.296 2.187 2.402 . 0 0 "[ . 1 . 2]" 1
390 1 39 GLY HA2 1 40 PRO QG 3.200 . 4.500 4.158 4.091 4.246 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLY HA2 1 40 PRO QD 2.500 . 3.500 2.264 2.170 2.395 . 0 0 "[ . 1 . 2]" 1
392 1 43 TRP H 1 43 TRP QB 2.500 . 3.500 2.606 2.115 3.119 . 0 0 "[ . 1 . 2]" 1
393 1 43 TRP H 1 43 TRP HD1 2.900 . 4.100 3.291 2.101 4.642 0.542 20 1 "[ . 1 . +]" 1
394 1 43 TRP HA 1 43 TRP HB3 2.300 . 3.200 2.547 2.256 2.999 . 0 0 "[ . 1 . 2]" 1
395 1 43 TRP HA 1 43 TRP HB2 2.300 . 3.200 2.866 2.288 3.034 . 0 0 "[ . 1 . 2]" 1
396 1 43 TRP HA 1 43 TRP HD1 3.400 . 4.700 3.864 2.656 4.483 . 0 0 "[ . 1 . 2]" 1
397 1 43 TRP HA 1 43 TRP HE3 3.600 . 5.000 3.601 2.431 5.074 0.074 1 0 "[ . 1 . 2]" 1
398 1 43 TRP HB3 1 43 TRP HD1 2.900 . 4.100 3.404 2.632 3.879 . 0 0 "[ . 1 . 2]" 1
399 1 43 TRP HB3 1 43 TRP HE3 2.800 . 3.900 3.199 2.473 4.160 0.260 8 0 "[ . 1 . 2]" 1
400 1 43 TRP HB2 1 43 TRP HD1 3.200 . 4.500 3.044 2.536 3.879 . 0 0 "[ . 1 . 2]" 1
401 1 43 TRP HB2 1 43 TRP HE3 3.100 . 4.300 3.596 2.473 4.240 . 0 0 "[ . 1 . 2]" 1
402 1 43 TRP HE3 1 44 ARG H 2.300 . 3.200 3.091 2.313 3.533 0.333 20 0 "[ . 1 . 2]" 1
403 1 47 SER HA 1 47 SER QB 1.900 . 2.700 2.361 2.192 2.544 . 0 0 "[ . 1 . 2]" 1
404 1 48 GLU HA 1 48 GLU QG 2.600 . 3.600 2.482 2.158 3.307 . 0 0 "[ . 1 . 2]" 1
405 1 48 GLU HA 1 49 PRO QD 1.900 . 2.700 2.182 1.989 2.330 . 0 0 "[ . 1 . 2]" 1
406 1 48 GLU HB3 1 48 GLU QG 2.200 . 3.100 2.294 2.176 2.524 . 0 0 "[ . 1 . 2]" 1
407 1 48 GLU QG 1 49 PRO QD 3.300 . 4.600 3.499 2.229 4.095 . 0 0 "[ . 1 . 2]" 1
408 1 49 PRO HA 1 50 GLN H 2.800 . 3.900 2.802 2.238 3.596 . 0 0 "[ . 1 . 2]" 1
409 1 50 GLN HA 1 50 GLN HB3 2.300 . 3.300 2.493 2.300 3.029 . 0 0 "[ . 1 . 2]" 1
410 1 50 GLN HA 1 50 GLN HB2 2.500 . 3.500 2.797 2.451 3.037 . 0 0 "[ . 1 . 2]" 1
411 1 50 GLN HA 1 50 GLN QG 3.000 . 4.300 2.772 2.344 3.316 . 0 0 "[ . 1 . 2]" 1
412 1 50 GLN HA 1 51 GLU H 2.700 . 3.800 2.551 2.192 3.349 . 0 0 "[ . 1 . 2]" 1
413 1 50 GLN HB3 1 50 GLN QG 2.000 . 2.800 2.387 2.168 2.548 . 0 0 "[ . 1 . 2]" 1
414 1 50 GLN HB3 1 124 PHE QE 6.000 . 8.400 6.187 3.702 7.559 . 0 0 "[ . 1 . 2]" 1
415 1 50 GLN HB2 1 50 GLN QG 2.100 . 2.900 2.336 2.179 2.527 . 0 0 "[ . 1 . 2]" 1
416 1 50 GLN HB2 1 124 PHE QE 4.200 . 5.900 5.773 4.975 6.042 0.142 6 0 "[ . 1 . 2]" 1
417 1 50 GLN HE22 1 50 GLN QG 3.600 . 5.000 3.324 3.272 3.546 . 0 0 "[ . 1 . 2]" 1
418 1 51 GLU H 1 51 GLU QG 2.700 . 3.800 3.349 2.044 4.090 0.290 1 0 "[ . 1 . 2]" 1
419 1 51 GLU H 1 52 PRO HD3 3.200 . 4.500 2.686 1.863 4.602 0.102 9 0 "[ . 1 . 2]" 1
420 1 51 GLU H 1 52 PRO HD2 3.000 . 4.200 2.791 1.723 4.540 0.340 9 0 "[ . 1 . 2]" 1
421 1 51 GLU HA 1 51 GLU QG 3.200 . 4.500 2.419 2.148 3.363 . 0 0 "[ . 1 . 2]" 1
422 1 51 GLU HA 1 52 PRO HD3 2.600 . 3.700 3.366 2.470 4.158 0.458 19 0 "[ . 1 . 2]" 1
423 1 51 GLU HA 1 52 PRO HD2 2.900 . 4.100 3.251 2.246 4.115 0.015 2 0 "[ . 1 . 2]" 1
424 1 51 GLU HB3 1 51 GLU QG 1.800 . 2.500 2.349 2.197 2.522 0.022 12 0 "[ . 1 . 2]" 1
425 1 54 VAL H 1 54 VAL HA 2.800 . 3.900 2.865 2.835 2.908 . 0 0 "[ . 1 . 2]" 1
426 1 54 VAL H 1 54 VAL HB 2.300 . 3.200 2.513 2.386 3.583 0.383 14 0 "[ . 1 . 2]" 1
427 1 54 VAL H 1 54 VAL MG1 2.700 . 3.800 3.630 2.304 3.772 . 0 0 "[ . 1 . 2]" 1
428 1 54 VAL HA 1 54 VAL HB 2.200 . 3.100 2.987 2.552 3.036 . 0 0 "[ . 1 . 2]" 1
429 1 54 VAL HA 1 54 VAL MG1 2.100 . 2.900 2.374 2.197 3.187 0.287 5 0 "[ . 1 . 2]" 1
430 1 54 VAL HA 1 57 LEU H 2.600 . 3.600 3.271 3.191 3.495 . 0 0 "[ . 1 . 2]" 1
431 1 54 VAL HA 1 57 LEU HB3 2.400 . 3.400 3.253 2.646 3.706 0.306 6 0 "[ . 1 . 2]" 1
432 1 54 VAL HA 1 57 LEU HB2 2.200 . 3.100 2.983 2.298 3.301 0.201 18 0 "[ . 1 . 2]" 1
433 1 54 VAL HA 1 57 LEU MD1 3.500 . 5.200 4.522 3.265 5.253 0.053 7 0 "[ . 1 . 2]" 1
434 1 54 VAL HB 1 55 GLN H 2.400 . 3.400 2.808 2.527 3.740 0.340 5 0 "[ . 1 . 2]" 1
435 1 54 VAL MG1 1 55 GLN H 3.100 . 4.300 3.420 1.728 4.064 0.072 5 0 "[ . 1 . 2]" 1
436 1 55 GLN H 1 55 GLN HA 2.500 . 3.500 2.836 2.819 2.867 . 0 0 "[ . 1 . 2]" 1
437 1 55 GLN H 1 55 GLN QB 3.200 . 4.500 2.382 2.256 2.538 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLN H 1 55 GLN QG 3.700 . 5.300 2.986 1.954 4.085 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN H 1 56 ASP H 2.900 . 4.100 2.767 2.692 2.868 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HA 1 55 GLN QB 2.300 . 3.200 2.384 2.199 2.419 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN HA 1 56 ASP H 2.200 . 3.100 3.565 3.546 3.579 0.479 6 0 "[ . 1 . 2]" 1
442 1 55 GLN HA 1 58 LYS HG2 3.000 . 4.200 4.343 4.207 4.459 0.259 18 0 "[ . 1 . 2]" 1
443 1 55 GLN QB 1 56 ASP H 2.600 . 3.600 2.530 2.354 3.348 . 0 0 "[ . 1 . 2]" 1
444 1 56 ASP H 1 56 ASP HA 2.600 . 3.600 2.849 2.833 2.867 . 0 0 "[ . 1 . 2]" 1
445 1 56 ASP H 1 56 ASP QB 2.700 . 3.800 2.349 2.229 2.485 . 0 0 "[ . 1 . 2]" 1
446 1 56 ASP H 1 57 LEU H 2.500 . 3.500 2.693 2.654 2.739 . 0 0 "[ . 1 . 2]" 1
447 1 56 ASP HA 1 56 ASP QB 2.300 . 3.200 2.391 2.198 2.428 . 0 0 "[ . 1 . 2]" 1
448 1 56 ASP HA 1 57 LEU H 2.200 . 3.100 3.553 3.528 3.573 0.473 17 0 "[ . 1 . 2]" 1
449 1 56 ASP HA 1 59 ALA MB 2.900 . 4.200 2.756 2.406 2.997 . 0 0 "[ . 1 . 2]" 1
450 1 56 ASP QB 1 57 LEU H 2.600 . 3.700 2.593 2.367 3.438 . 0 0 "[ . 1 . 2]" 1
451 1 57 LEU H 1 57 LEU HA 2.300 . 3.200 2.894 2.855 2.915 . 0 0 "[ . 1 . 2]" 1
452 1 57 LEU H 1 57 LEU HB3 2.700 . 3.800 2.940 2.582 3.416 . 0 0 "[ . 1 . 2]" 1
453 1 57 LEU H 1 57 LEU QB 2.200 . 3.100 2.157 2.042 2.263 . 0 0 "[ . 1 . 2]" 1
454 1 57 LEU H 1 57 LEU HB2 2.300 . 3.200 2.250 2.061 2.495 . 0 0 "[ . 1 . 2]" 1
455 1 57 LEU H 1 57 LEU MD1 4.400 . 6.300 3.906 2.568 4.279 . 0 0 "[ . 1 . 2]" 1
456 1 57 LEU H 1 58 LYS H 2.500 . 3.500 2.569 2.497 2.706 . 0 0 "[ . 1 . 2]" 1
457 1 57 LEU HA 1 57 LEU HB3 2.200 . 3.100 2.955 2.746 3.032 . 0 0 "[ . 1 . 2]" 1
458 1 57 LEU HA 1 57 LEU MD1 2.600 . 3.800 2.619 2.060 3.739 . 0 0 "[ . 1 . 2]" 1
459 1 57 LEU HA 1 60 ALA MB 2.600 . 3.700 2.748 2.498 3.059 . 0 0 "[ . 1 . 2]" 1
460 1 57 LEU HB3 1 57 LEU MD1 2.300 . 3.200 2.650 2.261 3.188 . 0 0 "[ . 1 . 2]" 1
461 1 57 LEU HB3 1 58 LYS H 2.600 . 3.600 2.653 2.475 3.152 . 0 0 "[ . 1 . 2]" 1
462 1 57 LEU HB2 1 57 LEU MD1 2.300 . 3.200 2.579 2.208 3.191 . 0 0 "[ . 1 . 2]" 1
463 1 57 LEU HB2 1 58 LYS H 2.600 . 3.600 3.440 2.911 3.816 0.216 15 0 "[ . 1 . 2]" 1
464 1 57 LEU MD1 1 58 LYS H 3.100 . 4.300 4.307 3.854 4.545 0.245 18 0 "[ . 1 . 2]" 1
465 1 57 LEU MD1 1 115 LEU MD1 3.600 . 5.000 3.196 1.938 5.015 0.015 18 0 "[ . 1 . 2]" 1
466 1 57 LEU MD1 1 124 PHE QE 4.100 . 5.700 4.787 3.464 5.724 0.024 7 0 "[ . 1 . 2]" 1
467 1 58 LYS H 1 58 LYS HA 2.500 . 3.500 2.854 2.835 2.890 . 0 0 "[ . 1 . 2]" 1
468 1 58 LYS H 1 58 LYS QB 2.600 . 3.600 2.319 2.193 2.576 . 0 0 "[ . 1 . 2]" 1
469 1 58 LYS H 1 58 LYS HG3 3.400 . 4.800 3.940 2.107 4.521 . 0 0 "[ . 1 . 2]" 1
470 1 58 LYS H 1 58 LYS HG2 3.400 . 4.800 4.057 2.582 4.677 . 0 0 "[ . 1 . 2]" 1
471 1 58 LYS H 1 59 ALA H 2.600 . 3.600 2.680 2.550 2.748 . 0 0 "[ . 1 . 2]" 1
472 1 58 LYS H 1 115 LEU MD1 3.900 . 5.500 4.705 3.678 5.551 0.051 17 0 "[ . 1 . 2]" 1
473 1 58 LYS HA 1 58 LYS QB 2.100 . 2.900 2.360 2.263 2.416 . 0 0 "[ . 1 . 2]" 1
474 1 58 LYS HA 1 58 LYS HG3 2.700 . 3.900 2.753 2.452 3.596 . 0 0 "[ . 1 . 2]" 1
475 1 58 LYS HA 1 58 LYS HG2 2.800 . 4.200 3.114 2.299 3.700 . 0 0 "[ . 1 . 2]" 1
476 1 58 LYS HA 1 58 LYS QD 3.300 . 4.600 3.498 2.255 4.032 . 0 0 "[ . 1 . 2]" 1
477 1 58 LYS HA 1 58 LYS QE 3.800 . 5.300 4.505 3.921 5.047 . 0 0 "[ . 1 . 2]" 1
478 1 58 LYS HA 1 59 ALA H 3.200 . 4.500 3.540 3.514 3.557 . 0 0 "[ . 1 . 2]" 1
479 1 58 LYS HA 1 62 ALA H 2.900 . 4.000 3.916 3.592 4.140 0.140 20 0 "[ . 1 . 2]" 1
480 1 58 LYS HA 1 115 LEU MD1 5.500 . 7.700 4.081 2.506 5.476 . 0 0 "[ . 1 . 2]" 1
481 1 58 LYS HA 1 115 LEU MD2 2.900 . 4.100 3.441 2.377 4.255 0.155 15 0 "[ . 1 . 2]" 1
482 1 58 LYS QE 1 58 LYS HG3 2.800 . 3.900 2.565 2.146 3.383 . 0 0 "[ . 1 . 2]" 1
483 1 59 ALA H 1 59 ALA HA 2.600 . 3.600 2.887 2.870 2.900 . 0 0 "[ . 1 . 2]" 1
484 1 59 ALA H 1 59 ALA MB 2.600 . 3.600 2.168 2.042 2.262 . 0 0 "[ . 1 . 2]" 1
485 1 59 ALA HA 1 62 ALA MB 2.700 . 4.000 2.508 2.304 2.794 . 0 0 "[ . 1 . 2]" 1
486 1 60 ALA H 1 60 ALA MB 2.900 . 4.100 2.190 2.056 2.256 . 0 0 "[ . 1 . 2]" 1
487 1 60 ALA MB 1 61 VAL H 3.200 . 4.500 2.447 2.362 2.571 . 0 0 "[ . 1 . 2]" 1
488 1 61 VAL H 1 61 VAL HB 2.700 . 3.800 2.732 2.316 3.626 . 0 0 "[ . 1 . 2]" 1
489 1 61 VAL H 1 61 VAL MG1 4.200 . 5.900 1.992 1.777 2.508 0.023 10 0 "[ . 1 . 2]" 1
490 1 61 VAL H 1 61 VAL MG2 4.100 . 5.700 3.568 2.333 3.789 . 0 0 "[ . 1 . 2]" 1
491 1 61 VAL HA 1 61 VAL HB 2.600 . 3.600 2.466 2.336 2.605 . 0 0 "[ . 1 . 2]" 1
492 1 61 VAL HA 1 61 VAL MG2 2.800 . 3.900 2.420 2.217 3.174 . 0 0 "[ . 1 . 2]" 1
493 1 61 VAL HA 1 64 VAL H 2.900 . 4.100 3.481 3.246 3.695 . 0 0 "[ . 1 . 2]" 1
494 1 61 VAL MG1 1 62 ALA H 5.000 . 7.000 2.202 1.798 3.578 0.002 6 0 "[ . 1 . 2]" 1
495 1 61 VAL MG2 1 62 ALA H 3.600 . 5.000 3.354 1.846 3.909 . 0 0 "[ . 1 . 2]" 1
496 1 61 VAL MG2 1 65 HIS HB3 3.500 . 4.900 4.798 3.871 5.052 0.152 16 0 "[ . 1 . 2]" 1
497 1 61 VAL MG2 1 65 HIS HD2 3.800 . 5.300 3.775 2.061 5.365 0.065 17 0 "[ . 1 . 2]" 1
498 1 62 ALA H 1 62 ALA HA 2.800 . 3.900 2.861 2.828 2.888 . 0 0 "[ . 1 . 2]" 1
499 1 62 ALA H 1 62 ALA MB 2.700 . 3.800 2.231 2.088 2.260 . 0 0 "[ . 1 . 2]" 1
500 1 62 ALA HA 1 65 HIS HD2 6.000 . 8.400 4.850 3.002 6.442 . 0 0 "[ . 1 . 2]" 1
501 1 63 ALA H 1 63 ALA MB 2.200 . 3.100 2.166 2.046 2.255 . 0 0 "[ . 1 . 2]" 1
502 1 63 ALA H 1 64 VAL H 2.300 . 3.200 2.732 2.664 2.800 . 0 0 "[ . 1 . 2]" 1
503 1 63 ALA HA 1 64 VAL H 2.700 . 3.800 3.582 3.558 3.606 . 0 0 "[ . 1 . 2]" 1
504 1 63 ALA MB 1 64 VAL H 2.800 . 4.000 2.447 2.264 2.696 . 0 0 "[ . 1 . 2]" 1
505 1 64 VAL H 1 64 VAL HB 2.200 . 3.100 2.261 2.089 2.494 . 0 0 "[ . 1 . 2]" 1
506 1 64 VAL H 1 64 VAL MG1 2.200 . 3.100 2.981 2.432 3.776 0.676 18 4 "[ .- * . +*2]" 1
507 1 64 VAL H 1 64 VAL MG2 3.600 . 5.000 3.332 2.205 3.741 . 0 0 "[ . 1 . 2]" 1
508 1 64 VAL H 1 65 HIS H 2.500 . 3.600 2.720 2.618 2.772 . 0 0 "[ . 1 . 2]" 1
509 1 64 VAL HA 1 64 VAL MG1 3.000 . 4.200 2.965 2.343 3.184 . 0 0 "[ . 1 . 2]" 1
510 1 64 VAL HA 1 64 VAL MG2 2.900 . 4.100 2.189 2.124 2.307 . 0 0 "[ . 1 . 2]" 1
511 1 64 VAL HA 1 67 ALA H 3.600 . 5.000 3.497 3.312 3.713 . 0 0 "[ . 1 . 2]" 1
512 1 64 VAL HA 1 67 ALA MB 2.800 . 3.900 3.033 2.583 3.469 . 0 0 "[ . 1 . 2]" 1
513 1 64 VAL HB 1 65 HIS H 2.600 . 3.700 3.336 2.570 3.748 0.048 3 0 "[ . 1 . 2]" 1
514 1 64 VAL MG1 1 65 HIS H 3.600 . 5.100 2.170 1.752 3.459 0.048 14 0 "[ . 1 . 2]" 1
515 1 64 VAL MG2 1 65 HIS H 4.300 . 6.000 3.968 3.816 4.187 . 0 0 "[ . 1 . 2]" 1
516 1 65 HIS H 1 65 HIS HB3 2.900 . 4.000 3.339 2.481 3.616 . 0 0 "[ . 1 . 2]" 1
517 1 65 HIS H 1 65 HIS HD2 3.500 . 4.900 4.209 3.280 5.225 0.325 4 0 "[ . 1 . 2]" 1
518 1 65 HIS HA 1 65 HIS QB 2.300 . 3.200 2.448 2.349 2.545 . 0 0 "[ . 1 . 2]" 1
519 1 65 HIS HA 1 65 HIS HB3 2.400 . 3.400 2.714 2.497 3.034 . 0 0 "[ . 1 . 2]" 1
520 1 65 HIS HA 1 65 HIS HB2 2.500 . 3.500 2.889 2.447 3.033 . 0 0 "[ . 1 . 2]" 1
521 1 65 HIS HA 1 65 HIS HD2 4.300 . 6.400 3.572 2.221 4.793 . 0 0 "[ . 1 . 2]" 1
522 1 65 HIS HA 1 68 VAL HB 2.600 . 3.600 3.035 2.467 3.967 0.367 20 0 "[ . 1 . 2]" 1
523 1 65 HIS HA 1 68 VAL MG1 3.500 . 4.900 3.611 2.087 4.462 . 0 0 "[ . 1 . 2]" 1
524 1 65 HIS HA 1 68 VAL MG2 3.500 . 4.900 3.122 2.014 4.455 . 0 0 "[ . 1 . 2]" 1
525 1 65 HIS HA 1 105 TYR QD 4.000 . 5.700 5.227 4.519 5.874 0.174 2 0 "[ . 1 . 2]" 1
526 1 65 HIS HA 1 105 TYR QE 4.000 . 5.600 3.972 2.277 5.914 0.314 4 0 "[ . 1 . 2]" 1
527 1 65 HIS HB3 1 65 HIS HD2 3.200 . 4.500 3.478 2.746 4.000 . 0 0 "[ . 1 . 2]" 1
528 1 65 HIS HB2 1 66 GLY H 2.500 . 3.500 3.034 2.516 4.019 0.519 17 1 "[ . 1 . + 2]" 1
529 1 65 HIS HD2 1 66 GLY H 3.900 . 5.500 5.446 4.405 5.788 0.288 12 0 "[ . 1 . 2]" 1
530 1 65 HIS HD2 1 109 VAL HA 3.800 . 5.300 4.818 3.111 5.382 0.082 18 0 "[ . 1 . 2]" 1
531 1 65 HIS HE1 1 109 VAL HA 4.100 . 5.700 4.306 2.329 5.683 . 0 0 "[ . 1 . 2]" 1
532 1 66 GLY H 1 66 GLY HA3 2.400 . 3.300 2.343 2.334 2.353 . 0 0 "[ . 1 . 2]" 1
533 1 66 GLY H 1 66 GLY QA 2.500 . 3.500 2.241 2.232 2.255 . 0 0 "[ . 1 . 2]" 1
534 1 66 GLY H 1 66 GLY HA2 2.600 . 3.700 2.855 2.828 2.900 . 0 0 "[ . 1 . 2]" 1
535 1 66 GLY H 1 67 ALA H 2.800 . 3.900 2.736 2.610 2.829 . 0 0 "[ . 1 . 2]" 1
536 1 66 GLY HA3 1 67 ALA H 2.400 . 3.400 2.831 2.787 2.871 . 0 0 "[ . 1 . 2]" 1
537 1 66 GLY QA 1 67 ALA H 2.600 . 3.700 2.729 2.694 2.758 . 0 0 "[ . 1 . 2]" 1
538 1 66 GLY QA 1 68 VAL H 2.700 . 3.800 4.036 3.931 4.192 0.392 7 0 "[ . 1 . 2]" 1
539 1 66 GLY QA 1 69 HIS H 3.100 . 4.300 3.548 3.449 3.654 . 0 0 "[ . 1 . 2]" 1
540 1 66 GLY HA3 1 69 HIS QB 3.000 . 4.200 4.323 4.151 4.445 0.245 13 0 "[ . 1 . 2]" 1
541 1 66 GLY HA2 1 67 ALA H 2.600 . 3.700 3.578 3.555 3.600 . 0 0 "[ . 1 . 2]" 1
542 1 66 GLY HA2 1 69 HIS QB 3.100 . 4.300 2.869 2.587 3.064 . 0 0 "[ . 1 . 2]" 1
543 1 67 ALA H 1 67 ALA MB 2.700 . 3.800 2.221 2.107 2.274 . 0 0 "[ . 1 . 2]" 1
544 1 67 ALA H 1 68 VAL H 2.300 . 3.200 2.604 2.500 2.674 . 0 0 "[ . 1 . 2]" 1
545 1 67 ALA H 1 69 HIS H 3.500 . 4.900 4.258 4.143 4.367 . 0 0 "[ . 1 . 2]" 1
546 1 67 ALA HA 1 70 GLU H 2.400 . 3.300 3.448 3.310 3.532 0.232 7 0 "[ . 1 . 2]" 1
547 1 67 ALA HA 1 70 GLU QB 2.200 . 3.100 3.063 2.760 3.329 0.229 17 0 "[ . 1 . 2]" 1
548 1 67 ALA HA 1 70 GLU HG2 2.700 . 3.800 2.972 2.319 3.765 . 0 0 "[ . 1 . 2]" 1
549 1 67 ALA MB 1 68 VAL H 2.900 . 4.100 2.663 2.515 2.755 . 0 0 "[ . 1 . 2]" 1
550 1 68 VAL H 1 68 VAL HA 2.500 . 3.500 2.883 2.864 2.910 . 0 0 "[ . 1 . 2]" 1
551 1 68 VAL H 1 68 VAL HB 2.300 . 3.200 2.517 2.275 3.336 0.136 20 0 "[ . 1 . 2]" 1
552 1 68 VAL H 1 68 VAL MG1 2.500 . 3.500 3.404 2.433 3.783 0.283 14 0 "[ . 1 . 2]" 1
553 1 68 VAL H 1 68 VAL MG2 3.200 . 4.500 2.560 1.593 3.738 0.207 20 0 "[ . 1 . 2]" 1
554 1 68 VAL H 1 69 HIS H 2.600 . 3.600 2.651 2.542 2.724 . 0 0 "[ . 1 . 2]" 1
555 1 68 VAL HA 1 68 VAL MG1 3.100 . 4.300 2.528 2.086 3.175 . 0 0 "[ . 1 . 2]" 1
556 1 68 VAL HA 1 68 VAL MG2 2.800 . 3.900 2.370 2.163 2.989 . 0 0 "[ . 1 . 2]" 1
557 1 68 VAL HA 1 71 LEU H 2.600 . 3.700 3.182 3.099 3.332 . 0 0 "[ . 1 . 2]" 1
558 1 68 VAL HA 1 71 LEU HB3 3.300 . 4.600 3.173 2.580 3.639 . 0 0 "[ . 1 . 2]" 1
559 1 68 VAL HA 1 71 LEU HB2 3.100 . 4.300 3.029 2.651 3.392 . 0 0 "[ . 1 . 2]" 1
560 1 68 VAL HA 1 71 LEU MD2 4.300 . 6.000 4.080 3.472 5.124 . 0 0 "[ . 1 . 2]" 1
561 1 68 VAL HB 1 69 HIS H 3.700 . 5.200 2.825 2.452 3.644 . 0 0 "[ . 1 . 2]" 1
562 1 68 VAL HB 1 105 TYR QD 3.500 . 4.900 4.451 3.866 5.438 0.538 8 1 "[ . + 1 . 2]" 1
563 1 68 VAL MG1 1 69 HIS H 3.000 . 4.200 2.993 1.663 4.185 0.137 7 0 "[ . 1 . 2]" 1
564 1 68 VAL MG1 1 105 TYR HB3 4.200 . 5.900 4.432 3.703 5.953 0.053 5 0 "[ . 1 . 2]" 1
565 1 68 VAL MG1 1 105 TYR QD 3.800 . 5.400 2.752 2.385 4.090 . 0 0 "[ . 1 . 2]" 1
566 1 68 VAL MG1 1 105 TYR QE 4.900 . 6.900 2.379 2.137 2.719 . 0 0 "[ . 1 . 2]" 1
567 1 68 VAL MG2 1 69 HIS H 6.000 . 8.400 3.703 2.364 3.990 . 0 0 "[ . 1 . 2]" 1
568 1 68 VAL MG2 1 101 MET ME 3.400 . 5.000 4.418 3.592 5.245 0.245 2 0 "[ . 1 . 2]" 1
569 1 68 VAL MG2 1 105 TYR QD 6.000 . 8.400 3.983 3.316 5.537 . 0 0 "[ . 1 . 2]" 1
570 1 69 HIS H 1 69 HIS HA 3.000 . 4.300 2.823 2.813 2.832 . 0 0 "[ . 1 . 2]" 1
571 1 69 HIS H 1 69 HIS QB 3.100 . 4.400 2.233 2.068 2.425 . 0 0 "[ . 1 . 2]" 1
572 1 69 HIS H 1 70 GLU H 3.000 . 4.300 2.764 2.716 2.821 . 0 0 "[ . 1 . 2]" 1
573 1 69 HIS H 1 71 LEU H 3.600 . 5.000 4.094 3.990 4.208 . 0 0 "[ . 1 . 2]" 1
574 1 69 HIS H 1 105 TYR QD 3.400 . 4.800 4.891 4.169 5.353 0.553 9 2 "[ . +1 -. 2]" 1
575 1 69 HIS H 1 105 TYR QE 4.200 . 6.000 3.728 3.236 4.051 . 0 0 "[ . 1 . 2]" 1
576 1 69 HIS HA 1 69 HIS HD2 4.400 . 6.200 3.058 2.362 4.807 . 0 0 "[ . 1 . 2]" 1
577 1 69 HIS HA 1 70 GLU H 3.300 . 4.600 3.543 3.507 3.575 . 0 0 "[ . 1 . 2]" 1
578 1 69 HIS HA 1 72 LEU H 2.500 . 3.500 3.139 2.936 3.293 . 0 0 "[ . 1 . 2]" 1
579 1 69 HIS HA 1 72 LEU HB3 2.600 . 3.600 3.866 2.370 4.447 0.847 17 1 "[ . 1 . + 2]" 1
580 1 69 HIS HA 1 72 LEU QD 3.200 . 4.500 2.608 2.031 3.564 . 0 0 "[ . 1 . 2]" 1
581 1 69 HIS HA 1 72 LEU MD2 2.700 . 3.800 3.898 3.446 4.276 0.476 18 0 "[ . 1 . 2]" 1
582 1 69 HIS HA 1 105 TYR QD 4.700 . 6.600 3.743 2.662 4.431 . 0 0 "[ . 1 . 2]" 1
583 1 69 HIS HA 1 105 TYR QE 5.300 . 7.600 3.210 2.285 4.379 . 0 0 "[ . 1 . 2]" 1
584 1 69 HIS QB 1 70 GLU H 3.000 . 4.200 2.703 2.593 2.832 . 0 0 "[ . 1 . 2]" 1
585 1 69 HIS QB 1 105 TYR QE 3.100 . 4.300 3.604 2.331 4.754 0.454 16 0 "[ . 1 . 2]" 1
586 1 69 HIS HD2 1 105 TYR QE 3.800 . 5.300 4.141 2.512 5.493 0.193 17 0 "[ . 1 . 2]" 1
587 1 70 GLU H 1 70 GLU HA 2.300 . 3.200 2.873 2.853 2.900 . 0 0 "[ . 1 . 2]" 1
588 1 70 GLU H 1 70 GLU QB 2.700 . 3.800 2.455 2.143 2.624 . 0 0 "[ . 1 . 2]" 1
589 1 70 GLU H 1 70 GLU HG3 2.700 . 3.900 3.642 3.423 4.238 0.338 7 0 "[ . 1 . 2]" 1
590 1 70 GLU H 1 70 GLU HG2 2.700 . 3.800 2.260 1.867 3.174 . 0 0 "[ . 1 . 2]" 1
591 1 70 GLU H 1 71 LEU H 2.900 . 4.100 2.571 2.487 2.635 . 0 0 "[ . 1 . 2]" 1
592 1 70 GLU H 1 74 PHE QD 4.200 . 5.900 6.175 6.000 6.643 0.743 7 2 "[ . + 1 - . 2]" 1
593 1 70 GLU H 1 105 TYR QE 4.000 . 5.600 5.478 4.830 5.979 0.379 19 0 "[ . 1 . 2]" 1
594 1 70 GLU HA 1 70 GLU HG2 2.700 . 3.800 3.131 2.892 3.683 . 0 0 "[ . 1 . 2]" 1
595 1 70 GLU HA 1 71 LEU H 2.900 . 4.000 3.506 3.480 3.528 . 0 0 "[ . 1 . 2]" 1
596 1 70 GLU QB 1 70 GLU HG2 2.600 . 3.600 2.405 2.389 2.425 . 0 0 "[ . 1 . 2]" 1
597 1 70 GLU QB 1 71 LEU H 2.800 . 3.900 2.835 2.567 3.431 . 0 0 "[ . 1 . 2]" 1
598 1 70 GLU HG2 1 71 LEU H 2.600 . 3.700 3.808 2.179 4.293 0.593 16 9 "[** ** ** *.+ - 2]" 1
599 1 71 LEU H 1 71 LEU HA 3.000 . 4.300 2.890 2.870 2.909 . 0 0 "[ . 1 . 2]" 1
600 1 71 LEU H 1 71 LEU HB3 2.800 . 4.000 2.646 2.328 2.904 . 0 0 "[ . 1 . 2]" 1
601 1 71 LEU H 1 71 LEU HB2 3.100 . 4.300 2.497 2.280 2.864 . 0 0 "[ . 1 . 2]" 1
602 1 71 LEU H 1 71 LEU MD1 5.600 . 7.800 4.118 3.921 4.326 . 0 0 "[ . 1 . 2]" 1
603 1 71 LEU H 1 71 LEU QD 3.000 . 4.200 3.680 3.358 3.774 . 0 0 "[ . 1 . 2]" 1
604 1 71 LEU H 1 71 LEU MD2 4.800 . 6.700 4.182 3.543 4.340 . 0 0 "[ . 1 . 2]" 1
605 1 71 LEU H 1 72 LEU H 2.700 . 3.800 2.527 2.435 2.601 . 0 0 "[ . 1 . 2]" 1
606 1 71 LEU H 1 73 GLU H 3.400 . 4.800 3.967 3.748 4.236 . 0 0 "[ . 1 . 2]" 1
607 1 71 LEU HA 1 71 LEU HB3 3.000 . 4.200 3.028 2.992 3.040 . 0 0 "[ . 1 . 2]" 1
608 1 71 LEU HA 1 71 LEU HB2 2.700 . 3.800 2.547 2.380 2.676 . 0 0 "[ . 1 . 2]" 1
609 1 71 LEU HA 1 71 LEU MD2 3.300 . 4.600 3.458 2.066 3.859 . 0 0 "[ . 1 . 2]" 1
610 1 71 LEU HA 1 74 PHE QB 2.700 . 3.800 2.832 2.198 4.066 0.266 2 0 "[ . 1 . 2]" 1
611 1 71 LEU HB3 1 71 LEU QD 2.700 . 3.800 2.155 2.030 2.304 . 0 0 "[ . 1 . 2]" 1
612 1 71 LEU HB3 1 71 LEU MD2 2.900 . 4.100 2.301 2.126 3.179 . 0 0 "[ . 1 . 2]" 1
613 1 71 LEU HB3 1 72 LEU H 2.900 . 4.100 2.553 2.397 2.743 . 0 0 "[ . 1 . 2]" 1
614 1 71 LEU HB2 1 71 LEU MD2 3.000 . 4.200 2.690 2.207 3.189 . 0 0 "[ . 1 . 2]" 1
615 1 71 LEU MD2 1 72 LEU H 4.300 . 6.000 3.870 3.102 4.583 . 0 0 "[ . 1 . 2]" 1
616 1 71 LEU MD2 1 101 MET ME 3.600 . 5.200 3.750 2.267 5.395 0.195 13 0 "[ . 1 . 2]" 1
617 1 71 LEU MD2 1 143 ALA MB 3.100 . 4.400 2.467 1.864 3.815 . 0 0 "[ . 1 . 2]" 1
618 1 72 LEU H 1 72 LEU HB3 2.500 . 3.500 3.422 2.406 3.606 0.106 6 0 "[ . 1 . 2]" 1
619 1 72 LEU H 1 72 LEU HB2 2.300 . 3.200 2.251 2.072 2.689 . 0 0 "[ . 1 . 2]" 1
620 1 72 LEU H 1 72 LEU HG 2.800 . 3.900 3.464 2.076 4.386 0.486 8 0 "[ . 1 . 2]" 1
621 1 72 LEU H 1 72 LEU MD2 3.900 . 5.500 4.049 3.062 4.252 . 0 0 "[ . 1 . 2]" 1
622 1 72 LEU H 1 101 MET ME 4.800 . 6.700 6.234 4.308 6.756 0.056 9 0 "[ . 1 . 2]" 1
623 1 72 LEU HA 1 72 LEU HB3 2.200 . 3.100 2.700 2.461 3.030 . 0 0 "[ . 1 . 2]" 1
624 1 72 LEU HA 1 72 LEU HG 2.300 . 3.200 2.368 2.083 3.237 0.037 8 0 "[ . 1 . 2]" 1
625 1 72 LEU HA 1 72 LEU QD 2.600 . 3.600 2.510 2.006 2.922 . 0 0 "[ . 1 . 2]" 1
626 1 72 LEU HA 1 72 LEU MD1 2.600 . 3.600 3.042 2.046 3.818 0.218 6 0 "[ . 1 . 2]" 1
627 1 72 LEU HA 1 72 LEU MD2 2.300 . 3.200 3.183 2.014 3.766 0.566 8 4 "[ - . *+ 1 .* 2]" 1
628 1 72 LEU HA 1 75 ALA MB 2.300 . 3.300 2.812 2.651 3.121 . 0 0 "[ . 1 . 2]" 1
629 1 72 LEU HB3 1 72 LEU HG 2.100 . 2.900 2.726 2.425 3.035 0.135 6 0 "[ . 1 . 2]" 1
630 1 72 LEU HB3 1 72 LEU QD 2.700 . 3.800 2.145 2.025 2.367 . 0 0 "[ . 1 . 2]" 1
631 1 72 LEU MD1 1 73 GLU H 3.100 . 4.400 4.279 4.084 4.490 0.090 16 0 "[ . 1 . 2]" 1
632 1 72 LEU QD 1 101 MET QG 3.800 . 5.300 3.152 1.947 4.255 . 0 0 "[ . 1 . 2]" 1
633 1 72 LEU MD1 1 101 MET QG 3.800 . 5.300 3.706 2.023 5.320 0.020 14 0 "[ . 1 . 2]" 1
634 1 72 LEU QD 1 101 MET ME 3.700 . 5.300 3.524 1.868 4.271 . 0 0 "[ . 1 . 2]" 1
635 1 72 LEU QD 1 102 GLU HA 3.200 . 4.500 2.288 2.131 2.553 . 0 0 "[ . 1 . 2]" 1
636 1 72 LEU QD 1 102 GLU HB3 3.300 . 4.600 3.894 3.670 4.080 . 0 0 "[ . 1 . 2]" 1
637 1 72 LEU QD 1 102 GLU HB2 3.800 . 5.300 4.161 3.964 4.388 . 0 0 "[ . 1 . 2]" 1
638 1 72 LEU QD 1 102 GLU HG3 3.700 . 5.200 3.594 3.383 3.804 . 0 0 "[ . 1 . 2]" 1
639 1 72 LEU QD 1 102 GLU HG2 3.700 . 5.200 2.476 2.285 2.669 . 0 0 "[ . 1 . 2]" 1
640 1 72 LEU MD1 1 102 GLU HG2 3.500 . 4.900 4.491 2.602 5.123 0.223 19 0 "[ . 1 . 2]" 1
641 1 72 LEU QD 1 105 TYR HA 3.000 . 4.200 4.479 4.240 4.716 0.516 8 2 "[ .- + 1 . 2]" 1
642 1 72 LEU MD1 1 105 TYR QD 3.700 . 5.200 2.915 2.020 4.514 . 0 0 "[ . 1 . 2]" 1
643 1 72 LEU QD 1 106 GLN H 3.500 . 4.900 4.752 4.439 5.173 0.273 2 0 "[ . 1 . 2]" 1
644 1 72 LEU MD2 1 101 MET HB3 2.500 . 3.500 3.309 2.797 3.664 0.164 3 0 "[ . 1 . 2]" 1
645 1 72 LEU MD2 1 101 MET QG 3.100 . 4.400 3.766 2.050 4.698 0.298 5 0 "[ . 1 . 2]" 1
646 1 72 LEU MD2 1 101 MET ME 3.500 . 4.900 4.463 1.899 4.983 0.083 4 0 "[ . 1 . 2]" 1
647 1 72 LEU MD2 1 102 GLU HB3 2.800 . 3.900 3.995 3.865 4.262 0.362 6 0 "[ . 1 . 2]" 1
648 1 72 LEU MD2 1 102 GLU HG3 2.600 . 3.600 3.655 3.452 3.839 0.239 12 0 "[ . 1 . 2]" 1
649 1 72 LEU MD2 1 105 TYR HB3 4.200 . 6.100 3.346 2.836 4.506 . 0 0 "[ . 1 . 2]" 1
650 1 72 LEU MD2 1 105 TYR HB2 5.300 . 8.100 3.137 2.492 3.727 . 0 0 "[ . 1 . 2]" 1
651 1 72 LEU MD2 1 105 TYR QD 4.200 . 5.900 3.061 2.192 4.456 . 0 0 "[ . 1 . 2]" 1
652 1 72 LEU MD2 1 105 TYR QE 4.200 . 5.900 4.086 2.710 5.339 . 0 0 "[ . 1 . 2]" 1
653 1 73 GLU H 1 73 GLU HG3 2.700 . 3.800 2.730 2.150 3.764 . 0 0 "[ . 1 . 2]" 1
654 1 73 GLU H 1 73 GLU HG2 2.800 . 3.900 3.028 2.070 3.557 . 0 0 "[ . 1 . 2]" 1
655 1 73 GLU H 1 74 PHE H 2.900 . 4.100 2.661 2.589 2.775 . 0 0 "[ . 1 . 2]" 1
656 1 73 GLU H 1 74 PHE QD 4.000 . 5.600 4.247 3.976 4.446 . 0 0 "[ . 1 . 2]" 1
657 1 73 GLU HA 1 76 ARG H 3.900 . 5.500 3.446 3.325 3.576 . 0 0 "[ . 1 . 2]" 1
658 1 73 GLU HA 1 76 ARG HD3 3.600 . 5.000 4.931 4.295 5.143 0.143 12 0 "[ . 1 . 2]" 1
659 1 73 GLU HA 1 76 ARG HD2 2.600 . 3.600 3.389 2.982 3.566 . 0 0 "[ . 1 . 2]" 1
660 1 73 GLU HG3 1 74 PHE H 3.200 . 4.500 4.352 2.459 4.832 0.332 10 0 "[ . 1 . 2]" 1
661 1 73 GLU HG2 1 74 PHE H 3.300 . 4.600 4.577 1.782 5.036 0.436 16 0 "[ . 1 . 2]" 1
662 1 74 PHE H 1 74 PHE HA 2.400 . 3.300 2.873 2.854 2.900 . 0 0 "[ . 1 . 2]" 1
663 1 74 PHE H 1 74 PHE QB 3.000 . 4.200 2.227 2.088 2.333 . 0 0 "[ . 1 . 2]" 1
664 1 74 PHE H 1 74 PHE QD 2.800 . 3.900 2.325 1.990 2.965 . 0 0 "[ . 1 . 2]" 1
665 1 74 PHE H 1 75 ALA H 2.400 . 3.400 2.696 2.597 2.800 . 0 0 "[ . 1 . 2]" 1
666 1 74 PHE HA 1 74 PHE QB 2.600 . 3.600 2.381 2.162 2.482 . 0 0 "[ . 1 . 2]" 1
667 1 74 PHE HA 1 74 PHE QD 3.200 . 4.500 2.804 2.329 3.613 . 0 0 "[ . 1 . 2]" 1
668 1 74 PHE HA 1 75 ALA H 2.900 . 4.100 3.569 3.557 3.584 . 0 0 "[ . 1 . 2]" 1
669 1 74 PHE HA 1 76 ARG H 3.700 . 5.300 4.360 4.254 4.467 . 0 0 "[ . 1 . 2]" 1
670 1 74 PHE HA 1 77 SER QB 2.100 . 2.900 2.817 2.443 3.054 0.154 13 0 "[ . 1 . 2]" 1
671 1 74 PHE QB 1 74 PHE QD 2.900 . 4.100 2.212 2.148 2.265 . 0 0 "[ . 1 . 2]" 1
672 1 74 PHE QB 1 75 ALA H 3.200 . 4.500 2.717 2.456 3.280 . 0 0 "[ . 1 . 2]" 1
673 1 74 PHE QD 1 75 ALA H 3.300 . 4.700 3.572 1.787 4.343 0.013 12 0 "[ . 1 . 2]" 1
674 1 74 PHE QD 1 77 SER H 3.500 . 4.900 5.124 4.959 5.263 0.363 8 0 "[ . 1 . 2]" 1
675 1 75 ALA H 1 75 ALA HA 2.700 . 3.800 2.867 2.855 2.884 . 0 0 "[ . 1 . 2]" 1
676 1 75 ALA H 1 76 ARG H 2.800 . 3.900 2.601 2.537 2.721 . 0 0 "[ . 1 . 2]" 1
677 1 75 ALA H 1 77 SER H 3.200 . 4.500 4.107 3.947 4.282 . 0 0 "[ . 1 . 2]" 1
678 1 75 ALA HA 1 78 ALA H 2.900 . 4.100 3.471 3.208 3.757 . 0 0 "[ . 1 . 2]" 1
679 1 75 ALA HA 1 78 ALA MB 2.800 . 4.000 2.870 2.551 3.265 . 0 0 "[ . 1 . 2]" 1
680 1 75 ALA MB 1 76 ARG H 6.000 . 8.400 2.534 2.477 2.666 . 0 0 "[ . 1 . 2]" 1
681 1 75 ALA MB 1 150 LEU MD2 2.800 . 4.100 2.812 2.048 4.139 0.039 11 0 "[ . 1 . 2]" 1
682 1 76 ARG H 1 76 ARG HA 2.900 . 4.000 2.858 2.838 2.888 . 0 0 "[ . 1 . 2]" 1
683 1 76 ARG H 1 76 ARG HG3 3.800 . 5.500 4.679 4.636 4.731 . 0 0 "[ . 1 . 2]" 1
684 1 76 ARG H 1 76 ARG HG2 3.800 . 5.300 4.439 4.394 4.490 . 0 0 "[ . 1 . 2]" 1
685 1 76 ARG H 1 76 ARG HD3 3.600 . 5.100 5.028 4.717 5.216 0.116 14 0 "[ . 1 . 2]" 1
686 1 76 ARG H 1 76 ARG HD2 4.300 . 6.100 4.130 3.811 4.767 . 0 0 "[ . 1 . 2]" 1
687 1 76 ARG H 1 77 SER H 2.900 . 4.000 2.679 2.589 2.782 . 0 0 "[ . 1 . 2]" 1
688 1 76 ARG H 1 78 ALA H 3.000 . 4.200 4.172 4.000 4.316 0.116 4 0 "[ . 1 . 2]" 1
689 1 76 ARG HA 1 76 ARG HG3 2.300 . 3.200 3.574 3.378 3.716 0.516 8 1 "[ . + 1 . 2]" 1
690 1 76 ARG HA 1 76 ARG HG2 2.300 . 3.200 2.507 2.344 2.666 . 0 0 "[ . 1 . 2]" 1
691 1 76 ARG HA 1 76 ARG HD3 3.900 . 5.500 4.045 3.784 4.333 . 0 0 "[ . 1 . 2]" 1
692 1 76 ARG HA 1 76 ARG HD2 2.900 . 4.100 4.091 3.904 4.504 0.404 15 0 "[ . 1 . 2]" 1
693 1 76 ARG QB 1 76 ARG HD3 2.900 . 4.000 3.109 2.593 3.322 . 0 0 "[ . 1 . 2]" 1
694 1 76 ARG HD2 1 76 ARG HG3 1.900 . 2.700 2.781 2.524 2.921 0.221 3 0 "[ . 1 . 2]" 1
695 1 76 ARG HG3 1 77 SER H 3.100 . 4.400 4.757 4.687 4.900 0.500 5 0 "[ . 1 . 2]" 1
696 1 76 ARG HD2 1 76 ARG HG2 2.000 . 2.800 2.905 2.793 3.035 0.235 15 0 "[ . 1 . 2]" 1
697 1 76 ARG HG2 1 77 SER H 2.900 . 4.100 4.127 4.051 4.266 0.166 16 0 "[ . 1 . 2]" 1
698 1 76 ARG HD3 1 77 SER H 3.200 . 4.500 3.493 3.092 3.783 . 0 0 "[ . 1 . 2]" 1
699 1 76 ARG HD2 1 77 SER H 2.800 . 3.900 2.847 2.465 3.764 . 0 0 "[ . 1 . 2]" 1
700 1 77 SER H 1 77 SER HA 2.300 . 3.200 2.843 2.825 2.866 . 0 0 "[ . 1 . 2]" 1
701 1 77 SER H 1 77 SER QB 2.300 . 3.200 2.331 2.191 2.577 . 0 0 "[ . 1 . 2]" 1
702 1 78 ALA H 1 78 ALA HA 2.500 . 3.500 2.862 2.836 2.887 . 0 0 "[ . 1 . 2]" 1
703 1 78 ALA H 1 78 ALA MB 2.700 . 3.800 2.202 2.044 2.255 . 0 0 "[ . 1 . 2]" 1
704 1 78 ALA H 1 157 LEU MD1 3.500 . 4.900 4.963 4.757 5.111 0.211 14 0 "[ . 1 . 2]" 1
705 1 78 ALA H 1 158 PHE QE 3.000 . 4.200 4.382 4.221 4.535 0.335 11 0 "[ . 1 . 2]" 1
706 1 78 ALA HA 1 158 PHE QE 3.800 . 5.300 2.651 2.302 3.217 . 0 0 "[ . 1 . 2]" 1
707 1 78 ALA MB 1 79 VAL H 2.800 . 3.900 2.560 2.354 2.717 . 0 0 "[ . 1 . 2]" 1
708 1 78 ALA MB 1 157 LEU MD1 3.600 . 5.100 2.357 2.052 2.855 . 0 0 "[ . 1 . 2]" 1
709 1 78 ALA MB 1 157 LEU QD 4.300 . 6.000 2.111 1.857 2.444 . 0 0 "[ . 1 . 2]" 1
710 1 78 ALA MB 1 157 LEU MD2 4.000 . 5.600 2.929 1.898 4.040 . 0 0 "[ . 1 . 2]" 1
711 1 78 ALA MB 1 158 PHE QD 4.700 . 6.600 3.862 3.613 4.294 . 0 0 "[ . 1 . 2]" 1
712 1 78 ALA MB 1 158 PHE QE 3.800 . 5.500 2.319 2.056 2.806 . 0 0 "[ . 1 . 2]" 1
713 1 78 ALA MB 1 158 PHE HZ 4.100 . 5.900 2.244 2.046 2.502 . 0 0 "[ . 1 . 2]" 1
714 1 79 VAL H 1 79 VAL HA 2.700 . 3.800 2.861 2.817 2.897 . 0 0 "[ . 1 . 2]" 1
715 1 79 VAL H 1 79 VAL HB 2.400 . 3.400 2.519 2.412 3.614 0.214 13 0 "[ . 1 . 2]" 1
716 1 79 VAL H 1 79 VAL MG1 3.700 . 5.200 3.692 2.336 3.774 . 0 0 "[ . 1 . 2]" 1
717 1 79 VAL H 1 79 VAL QG 2.900 . 4.000 2.229 1.689 2.350 0.111 13 0 "[ . 1 . 2]" 1
718 1 79 VAL HA 1 79 VAL HB 2.100 . 2.900 3.007 2.527 3.037 0.137 19 0 "[ . 1 . 2]" 1
719 1 79 VAL HA 1 79 VAL MG1 2.600 . 3.800 2.354 2.262 2.410 . 0 0 "[ . 1 . 2]" 1
720 1 79 VAL HA 1 79 VAL MG2 2.300 . 3.200 2.364 2.269 3.191 . 0 0 "[ . 1 . 2]" 1
721 1 79 VAL HA 1 82 ALA MB 3.300 . 4.700 2.685 2.266 3.927 . 0 0 "[ . 1 . 2]" 1
722 1 79 VAL HA 1 157 LEU MD1 3.900 . 5.800 3.210 2.036 4.263 . 0 0 "[ . 1 . 2]" 1
723 1 79 VAL HB 1 80 SER H 2.400 . 3.400 2.682 2.428 3.689 0.289 13 0 "[ . 1 . 2]" 1
724 1 79 VAL QG 1 80 SER H 2.900 . 4.100 3.130 2.013 3.263 . 0 0 "[ . 1 . 2]" 1
725 1 80 SER H 1 80 SER HA 2.600 . 3.600 2.773 2.350 2.880 . 0 0 "[ . 1 . 2]" 1
726 1 80 SER H 1 82 ALA H 3.500 . 4.900 4.287 3.835 5.280 0.380 4 0 "[ . 1 . 2]" 1
727 1 80 SER HA 1 80 SER QB 2.100 . 2.900 2.326 2.191 2.484 . 0 0 "[ . 1 . 2]" 1
728 1 80 SER HA 1 81 SER H 2.600 . 3.600 3.242 2.317 3.555 . 0 0 "[ . 1 . 2]" 1
729 1 82 ALA H 1 82 ALA HA 3.000 . 4.200 2.826 2.349 2.960 . 0 0 "[ . 1 . 2]" 1
730 1 82 ALA HA 1 83 THR H 3.700 . 5.300 2.682 2.182 3.549 . 0 0 "[ . 1 . 2]" 1
731 1 82 ALA HA 1 157 LEU QD 3.700 . 5.200 3.537 2.324 4.249 . 0 0 "[ . 1 . 2]" 1
732 1 82 ALA HA 1 157 LEU MD1 4.200 . 5.900 5.204 3.160 6.088 0.188 1 0 "[ . 1 . 2]" 1
733 1 82 ALA MB 1 83 THR H 4.200 . 6.200 2.858 1.787 3.730 0.013 13 0 "[ . 1 . 2]" 1
734 1 82 ALA MB 1 83 THR MG 3.700 . 5.200 4.518 2.373 5.528 0.328 9 0 "[ . 1 . 2]" 1
735 1 82 ALA MB 1 157 LEU MD1 3.600 . 5.200 3.816 1.991 5.273 0.073 4 0 "[ . 1 . 2]" 1
736 1 82 ALA MB 1 157 LEU MD2 4.000 . 5.600 3.078 1.943 5.533 . 0 0 "[ . 1 . 2]" 1
737 1 83 THR HA 1 83 THR MG 2.600 . 3.700 2.539 2.128 3.196 . 0 0 "[ . 1 . 2]" 1
738 1 84 HIS HA 1 84 HIS HB3 2.400 . 3.400 2.667 2.355 3.038 . 0 0 "[ . 1 . 2]" 1
739 1 84 HIS HA 1 84 HIS HB2 2.300 . 3.400 2.771 2.421 3.036 . 0 0 "[ . 1 . 2]" 1
740 1 84 HIS QB 1 84 HIS HD2 3.000 . 4.200 2.766 2.683 3.286 . 0 0 "[ . 1 . 2]" 1
741 1 84 HIS HB2 1 84 HIS HD2 2.800 . 3.900 3.243 2.754 3.979 0.079 13 0 "[ . 1 . 2]" 1
742 1 89 THR HA 1 89 THR MG 2.800 . 3.900 2.373 2.257 3.158 . 0 0 "[ . 1 . 2]" 1
743 1 89 THR HA 1 90 LEU H 3.100 . 4.300 3.540 3.496 3.562 . 0 0 "[ . 1 . 2]" 1
744 1 89 THR HA 1 92 ALA MB 2.900 . 4.100 2.395 2.251 2.576 . 0 0 "[ . 1 . 2]" 1
745 1 89 THR HA 1 93 LYS QE 4.700 . 6.600 5.526 4.488 6.483 . 0 0 "[ . 1 . 2]" 1
746 1 89 THR HB 1 89 THR MG 2.400 . 3.400 2.127 2.104 2.148 . 0 0 "[ . 1 . 2]" 1
747 1 89 THR HB 1 90 LEU H 2.900 . 4.000 3.340 2.551 4.092 0.092 5 0 "[ . 1 . 2]" 1
748 1 89 THR HB 1 93 LYS QE 3.600 . 5.100 4.453 3.273 5.153 0.053 19 0 "[ . 1 . 2]" 1
749 1 89 THR MG 1 90 LEU H 3.400 . 4.700 3.659 1.800 3.884 . 0 0 "[ . 1 . 2]" 1
750 1 89 THR MG 1 93 LYS QE 5.100 . 8.000 4.125 2.042 6.100 . 0 0 "[ . 1 . 2]" 1
751 1 90 LEU H 1 90 LEU QB 2.800 . 3.900 2.522 2.066 2.893 . 0 0 "[ . 1 . 2]" 1
752 1 90 LEU H 1 90 LEU QD 3.600 . 5.000 2.445 1.705 2.934 0.095 2 0 "[ . 1 . 2]" 1
753 1 90 LEU H 1 91 HIS H 3.300 . 4.600 2.815 2.784 2.850 . 0 0 "[ . 1 . 2]" 1
754 1 90 LEU HA 1 91 HIS H 2.600 . 3.600 3.581 3.570 3.594 . 0 0 "[ . 1 . 2]" 1
755 1 90 LEU HA 1 93 LYS HB3 2.400 . 3.400 3.526 3.380 3.774 0.374 13 0 "[ . 1 . 2]" 1
756 1 90 LEU HA 1 93 LYS HB2 2.000 . 2.800 2.728 2.321 2.955 0.155 15 0 "[ . 1 . 2]" 1
757 1 90 LEU HA 1 93 LYS QE 3.100 . 4.300 3.831 2.931 4.512 0.212 20 0 "[ . 1 . 2]" 1
758 1 90 LEU QB 1 91 HIS H 2.700 . 3.800 2.545 2.363 3.063 . 0 0 "[ . 1 . 2]" 1
759 1 90 LEU QD 1 91 HIS H 3.400 . 4.800 3.740 2.815 4.001 . 0 0 "[ . 1 . 2]" 1
760 1 91 HIS H 1 91 HIS HA 2.500 . 3.500 2.863 2.845 2.873 . 0 0 "[ . 1 . 2]" 1
761 1 91 HIS H 1 91 HIS QB 2.800 . 3.900 2.288 2.072 2.485 . 0 0 "[ . 1 . 2]" 1
762 1 91 HIS H 1 91 HIS HD2 3.500 . 4.900 4.696 2.865 5.047 0.147 9 0 "[ . 1 . 2]" 1
763 1 91 HIS HA 1 91 HIS QB 2.600 . 3.700 2.404 2.291 2.549 . 0 0 "[ . 1 . 2]" 1
764 1 91 HIS HA 1 91 HIS HD2 4.000 . 5.600 3.500 2.384 4.790 . 0 0 "[ . 1 . 2]" 1
765 1 91 HIS HA 1 94 LEU QD 3.100 . 4.300 3.237 2.995 3.731 . 0 0 "[ . 1 . 2]" 1
766 1 91 HIS QB 1 91 HIS HD2 3.200 . 4.500 2.841 2.682 3.200 . 0 0 "[ . 1 . 2]" 1
767 1 91 HIS QB 1 92 ALA H 3.200 . 4.500 2.478 2.377 2.613 . 0 0 "[ . 1 . 2]" 1
768 1 92 ALA H 1 92 ALA HA 2.300 . 3.200 2.839 2.822 2.872 . 0 0 "[ . 1 . 2]" 1
769 1 92 ALA H 1 92 ALA MB 2.600 . 3.600 2.158 2.035 2.245 . 0 0 "[ . 1 . 2]" 1
770 1 92 ALA HA 1 95 SER H 2.900 . 4.100 3.679 3.545 3.767 . 0 0 "[ . 1 . 2]" 1
771 1 93 LYS H 1 93 LYS HA 2.400 . 3.400 2.864 2.847 2.884 . 0 0 "[ . 1 . 2]" 1
772 1 93 LYS H 1 93 LYS HB3 3.300 . 4.600 3.270 3.100 3.559 . 0 0 "[ . 1 . 2]" 1
773 1 93 LYS H 1 93 LYS HB2 2.600 . 3.600 2.115 2.082 2.265 . 0 0 "[ . 1 . 2]" 1
774 1 93 LYS H 1 93 LYS HG3 3.200 . 4.600 3.705 2.646 4.410 . 0 0 "[ . 1 . 2]" 1
775 1 93 LYS H 1 93 LYS HG2 3.500 . 4.900 4.385 3.904 4.570 . 0 0 "[ . 1 . 2]" 1
776 1 93 LYS H 1 94 LEU H 2.700 . 3.800 2.697 2.603 2.740 . 0 0 "[ . 1 . 2]" 1
777 1 93 LYS HA 1 93 LYS HB3 2.100 . 2.900 2.849 2.633 2.938 0.038 11 0 "[ . 1 . 2]" 1
778 1 93 LYS HA 1 93 LYS HG3 2.200 . 3.100 2.381 2.178 2.628 . 0 0 "[ . 1 . 2]" 1
779 1 93 LYS HA 1 93 LYS HG2 2.600 . 3.600 2.789 2.326 3.533 . 0 0 "[ . 1 . 2]" 1
780 1 93 LYS HA 1 149 PHE QD 3.600 . 5.000 4.634 3.896 5.000 . 0 0 "[ . 1 . 2]" 1
781 1 93 LYS HB3 1 94 LEU H 3.200 . 4.500 2.876 2.629 3.439 . 0 0 "[ . 1 . 2]" 1
782 1 93 LYS HB3 1 149 PHE QD 3.500 . 4.900 2.930 2.403 3.289 . 0 0 "[ . 1 . 2]" 1
783 1 93 LYS HB2 1 149 PHE QD 3.600 . 5.000 4.559 3.757 4.983 . 0 0 "[ . 1 . 2]" 1
784 1 93 LYS QE 1 93 LYS HG3 2.800 . 4.100 3.006 2.222 3.559 . 0 0 "[ . 1 . 2]" 1
785 1 93 LYS HG3 1 149 PHE QD 4.200 . 5.900 5.026 3.769 5.773 . 0 0 "[ . 1 . 2]" 1
786 1 93 LYS HG2 1 149 PHE QD 3.900 . 5.500 4.271 3.864 4.731 . 0 0 "[ . 1 . 2]" 1
787 1 93 LYS QD 1 149 PHE QD 6.000 . 8.400 4.809 3.652 5.560 . 0 0 "[ . 1 . 2]" 1
788 1 94 LEU H 1 94 LEU HA 2.100 . 2.900 2.862 2.831 2.923 0.023 8 0 "[ . 1 . 2]" 1
789 1 94 LEU H 1 149 PHE QB 3.200 . 4.500 4.656 4.515 4.791 0.291 2 0 "[ . 1 . 2]" 1
790 1 94 LEU H 1 149 PHE QD 3.200 . 4.500 3.840 3.610 4.131 . 0 0 "[ . 1 . 2]" 1
791 1 94 LEU HA 1 94 LEU HG 2.700 . 3.800 2.690 2.247 3.282 . 0 0 "[ . 1 . 2]" 1
792 1 94 LEU HA 1 94 LEU QD 2.700 . 3.800 2.509 2.049 3.032 . 0 0 "[ . 1 . 2]" 1
793 1 94 LEU HA 1 94 LEU MD1 2.400 . 3.400 2.720 2.058 3.703 0.303 8 0 "[ . 1 . 2]" 1
794 1 94 LEU HA 1 149 PHE QD 3.300 . 4.600 2.405 2.282 2.786 . 0 0 "[ . 1 . 2]" 1
795 1 94 LEU QD 1 95 SER H 2.800 . 3.900 3.374 2.802 3.878 . 0 0 "[ . 1 . 2]" 1
796 1 95 SER H 1 95 SER HA 2.400 . 3.400 2.847 2.834 2.862 . 0 0 "[ . 1 . 2]" 1
797 1 95 SER H 1 95 SER HB3 2.800 . 3.900 3.044 2.437 3.621 . 0 0 "[ . 1 . 2]" 1
798 1 95 SER H 1 95 SER HB2 2.600 . 3.600 2.762 2.434 3.616 0.016 7 0 "[ . 1 . 2]" 1
799 1 95 SER H 1 96 ARG H 2.800 . 3.900 2.759 2.679 2.819 . 0 0 "[ . 1 . 2]" 1
800 1 95 SER HA 1 96 ARG H 2.800 . 3.900 3.563 3.542 3.591 . 0 0 "[ . 1 . 2]" 1
801 1 95 SER HB3 1 96 ARG H 3.000 . 4.200 3.324 2.414 3.904 . 0 0 "[ . 1 . 2]" 1
802 1 95 SER HB2 1 96 ARG H 2.800 . 3.900 3.240 2.482 3.887 . 0 0 "[ . 1 . 2]" 1
803 1 96 ARG H 1 96 ARG HA 2.300 . 3.200 2.849 2.837 2.863 . 0 0 "[ . 1 . 2]" 1
804 1 96 ARG H 1 96 ARG QB 2.500 . 3.500 2.293 2.145 2.523 . 0 0 "[ . 1 . 2]" 1
805 1 96 ARG QD 1 96 ARG HG3 2.100 . 2.900 2.339 2.165 2.478 . 0 0 "[ . 1 . 2]" 1
806 1 96 ARG QD 1 97 GLN H 2.700 . 3.800 4.095 3.818 4.395 0.595 5 2 "[ + 1 . - 2]" 1
807 1 97 GLN H 1 97 GLN HA 2.100 . 2.900 2.897 2.882 2.915 0.015 6 0 "[ . 1 . 2]" 1
808 1 97 GLN H 1 97 GLN QB 3.100 . 4.300 2.357 2.230 2.659 . 0 0 "[ . 1 . 2]" 1
809 1 97 GLN H 1 98 LEU H 2.500 . 3.500 2.573 2.510 2.642 . 0 0 "[ . 1 . 2]" 1
810 1 97 GLN H 1 149 PHE QD 3.000 . 4.200 4.355 4.247 4.468 0.268 14 0 "[ . 1 . 2]" 1
811 1 97 GLN HA 1 100 LYS QB 2.400 . 3.400 2.645 2.352 3.534 0.134 9 0 "[ . 1 . 2]" 1
812 1 97 GLN QB 1 97 GLN HE22 3.700 . 5.200 4.009 3.129 4.352 . 0 0 "[ . 1 . 2]" 1
813 1 97 GLN QB 1 98 LEU H 3.100 . 4.400 2.691 2.396 3.546 . 0 0 "[ . 1 . 2]" 1
814 1 98 LEU H 1 99 GLN H 2.500 . 3.600 2.737 2.596 2.895 . 0 0 "[ . 1 . 2]" 1
815 1 98 LEU H 1 100 LYS H 2.600 . 3.700 3.986 3.878 4.134 0.434 16 0 "[ . 1 . 2]" 1
816 1 98 LEU HB3 1 99 GLN H 2.600 . 3.600 2.444 2.303 2.743 . 0 0 "[ . 1 . 2]" 1
817 1 98 LEU HB2 1 99 GLN H 2.500 . 3.500 3.570 3.173 3.734 0.234 15 0 "[ . 1 . 2]" 1
818 1 98 LEU QD 1 99 GLN H 3.200 . 4.500 3.608 3.034 3.873 . 0 0 "[ . 1 . 2]" 1
819 1 99 GLN H 1 99 GLN HA 2.300 . 3.200 2.862 2.844 2.879 . 0 0 "[ . 1 . 2]" 1
820 1 99 GLN H 1 99 GLN QB 2.300 . 3.200 2.415 2.270 2.495 . 0 0 "[ . 1 . 2]" 1
821 1 99 GLN H 1 99 GLN QG 2.600 . 3.600 2.315 2.028 3.979 0.379 3 0 "[ . 1 . 2]" 1
822 1 99 GLN H 1 100 LYS H 2.400 . 3.400 2.649 2.590 2.750 . 0 0 "[ . 1 . 2]" 1
823 1 99 GLN H 1 101 MET H 2.700 . 3.800 4.038 3.926 4.164 0.364 5 0 "[ . 1 . 2]" 1
824 1 99 GLN HA 1 102 GLU HB2 2.100 . 2.900 2.403 2.291 2.751 . 0 0 "[ . 1 . 2]" 1
825 1 99 GLN HA 1 102 GLU HG3 2.200 . 3.100 2.861 2.595 3.110 0.010 9 0 "[ . 1 . 2]" 1
826 1 99 GLN HA 1 102 GLU HG2 2.300 . 3.200 3.284 3.024 3.392 0.192 19 0 "[ . 1 . 2]" 1
827 1 99 GLN QB 1 100 LYS H 2.400 . 3.400 2.752 2.555 3.452 0.052 18 0 "[ . 1 . 2]" 1
828 1 100 LYS H 1 100 LYS HA 2.100 . 2.900 2.872 2.862 2.887 . 0 0 "[ . 1 . 2]" 1
829 1 100 LYS H 1 100 LYS QB 2.200 . 3.100 2.281 2.250 2.328 . 0 0 "[ . 1 . 2]" 1
830 1 100 LYS H 1 102 GLU H 2.900 . 4.100 3.981 3.883 4.094 . 0 0 "[ . 1 . 2]" 1
831 1 100 LYS HA 1 100 LYS QB 2.100 . 3.000 2.387 2.196 2.449 . 0 0 "[ . 1 . 2]" 1
832 1 100 LYS HA 1 100 LYS QG 2.800 . 3.900 2.424 2.284 3.411 . 0 0 "[ . 1 . 2]" 1
833 1 100 LYS HA 1 101 MET H 2.600 . 3.600 3.522 3.494 3.550 . 0 0 "[ . 1 . 2]" 1
834 1 100 LYS HA 1 103 ASP HB3 2.500 . 3.500 3.198 2.938 3.517 0.017 5 0 "[ . 1 . 2]" 1
835 1 100 LYS HA 1 103 ASP HB2 2.500 . 3.500 3.515 3.195 3.598 0.098 13 0 "[ . 1 . 2]" 1
836 1 100 LYS QB 1 100 LYS QE 3.000 . 4.200 2.408 2.050 3.641 . 0 0 "[ . 1 . 2]" 1
837 1 100 LYS QB 1 101 MET H 2.500 . 3.500 2.671 2.533 3.469 . 0 0 "[ . 1 . 2]" 1
838 1 100 LYS QE 1 100 LYS QG 3.200 . 4.500 2.256 2.099 2.897 . 0 0 "[ . 1 . 2]" 1
839 1 100 LYS QG 1 101 MET H 2.900 . 4.100 3.758 1.855 4.076 . 0 0 "[ . 1 . 2]" 1
840 1 100 LYS HD3 1 100 LYS QE 2.300 . 3.200 2.325 2.166 2.519 . 0 0 "[ . 1 . 2]" 1
841 1 100 LYS HD2 1 100 LYS QE 2.300 . 3.200 2.379 2.177 2.549 . 0 0 "[ . 1 . 2]" 1
842 1 100 LYS QE 1 101 MET H 3.400 . 4.800 4.483 3.933 4.983 0.183 2 0 "[ . 1 . 2]" 1
843 1 101 MET H 1 101 MET HA 2.600 . 3.700 2.885 2.872 2.894 . 0 0 "[ . 1 . 2]" 1
844 1 101 MET H 1 101 MET HB3 2.500 . 3.500 3.075 2.310 3.630 0.130 4 0 "[ . 1 . 2]" 1
845 1 101 MET H 1 101 MET HB2 2.700 . 3.800 2.435 2.079 2.798 . 0 0 "[ . 1 . 2]" 1
846 1 101 MET H 1 101 MET QG 2.800 . 3.900 3.260 1.929 4.052 0.152 17 0 "[ . 1 . 2]" 1
847 1 101 MET H 1 101 MET ME 4.900 . 6.900 4.714 4.103 5.411 . 0 0 "[ . 1 . 2]" 1
848 1 101 MET H 1 102 GLU H 2.800 . 3.900 2.512 2.472 2.544 . 0 0 "[ . 1 . 2]" 1
849 1 101 MET H 1 103 ASP H 2.800 . 3.900 4.240 4.085 4.290 0.390 2 0 "[ . 1 . 2]" 1
850 1 101 MET HA 1 101 MET ME 3.500 . 5.100 2.896 2.289 4.022 . 0 0 "[ . 1 . 2]" 1
851 1 101 MET HA 1 102 GLU H 2.600 . 3.600 3.517 3.494 3.527 . 0 0 "[ . 1 . 2]" 1
852 1 101 MET HA 1 104 VAL MG1 3.200 . 4.500 3.761 3.488 4.327 . 0 0 "[ . 1 . 2]" 1
853 1 101 MET HA 1 104 VAL MG2 3.200 . 4.500 3.233 2.066 3.621 . 0 0 "[ . 1 . 2]" 1
854 1 101 MET HB3 1 101 MET QG 2.600 . 3.600 2.315 2.177 2.527 . 0 0 "[ . 1 . 2]" 1
855 1 101 MET HB2 1 101 MET QG 2.600 . 3.600 2.274 2.194 2.531 . 0 0 "[ . 1 . 2]" 1
856 1 101 MET ME 1 101 MET QG 3.000 . 4.200 2.175 2.106 2.287 . 0 0 "[ . 1 . 2]" 1
857 1 101 MET QG 1 102 GLU H 3.500 . 4.900 3.982 3.292 4.574 . 0 0 "[ . 1 . 2]" 1
858 1 101 MET QG 1 146 LEU QD 3.500 . 4.900 2.386 1.814 3.560 . 0 0 "[ . 1 . 2]" 1
859 1 101 MET QG 1 146 LEU MD2 3.900 . 5.800 2.938 2.018 5.425 . 0 0 "[ . 1 . 2]" 1
860 1 101 MET ME 1 104 VAL MG2 3.000 . 4.200 4.252 4.052 4.408 0.208 13 0 "[ . 1 . 2]" 1
861 1 101 MET ME 1 139 VAL HA 3.500 . 4.900 3.071 2.195 4.647 . 0 0 "[ . 1 . 2]" 1
862 1 101 MET ME 1 139 VAL MG2 3.600 . 5.200 3.296 2.223 4.968 . 0 0 "[ . 1 . 2]" 1
863 1 101 MET ME 1 142 ASP QB 3.500 . 4.900 2.402 1.951 4.684 . 0 0 "[ . 1 . 2]" 1
864 1 101 MET ME 1 143 ALA H 3.600 . 5.200 3.586 2.796 4.967 . 0 0 "[ . 1 . 2]" 1
865 1 101 MET ME 1 143 ALA HA 3.000 . 4.200 3.279 2.235 4.168 . 0 0 "[ . 1 . 2]" 1
866 1 101 MET ME 1 143 ALA MB 3.400 . 4.900 3.410 2.525 4.227 . 0 0 "[ . 1 . 2]" 1
867 1 101 MET ME 1 146 LEU QD 3.400 . 4.800 3.038 2.001 4.104 . 0 0 "[ . 1 . 2]" 1
868 1 101 MET ME 1 146 LEU MD2 3.300 . 4.600 3.758 2.773 4.693 0.093 6 0 "[ . 1 . 2]" 1
869 1 102 GLU H 1 102 GLU HB3 2.300 . 3.200 3.568 3.553 3.590 0.390 6 0 "[ . 1 . 2]" 1
870 1 102 GLU H 1 102 GLU HB2 2.500 . 3.500 2.315 2.273 2.375 . 0 0 "[ . 1 . 2]" 1
871 1 102 GLU H 1 102 GLU HG3 3.100 . 4.300 3.576 3.382 3.647 . 0 0 "[ . 1 . 2]" 1
872 1 102 GLU H 1 103 ASP H 2.500 . 3.500 2.734 2.521 2.795 . 0 0 "[ . 1 . 2]" 1
873 1 102 GLU HA 1 105 TYR H 2.600 . 3.600 3.653 3.333 3.900 0.300 9 0 "[ . 1 . 2]" 1
874 1 102 GLU HA 1 105 TYR QD 3.800 . 5.300 4.378 3.914 4.940 . 0 0 "[ . 1 . 2]" 1
875 1 102 GLU HB3 1 103 ASP H 2.100 . 2.900 3.216 3.132 3.488 0.588 6 1 "[ .+ 1 . 2]" 1
876 1 102 GLU HB2 1 103 ASP H 2.300 . 3.200 2.386 2.349 2.481 . 0 0 "[ . 1 . 2]" 1
877 1 102 GLU HG3 1 103 ASP H 3.200 . 4.500 4.725 4.675 4.758 0.258 16 0 "[ . 1 . 2]" 1
878 1 103 ASP H 1 103 ASP HA 2.300 . 3.200 2.855 2.804 2.875 . 0 0 "[ . 1 . 2]" 1
879 1 103 ASP H 1 103 ASP HB3 2.300 . 3.200 2.804 2.732 2.931 . 0 0 "[ . 1 . 2]" 1
880 1 103 ASP H 1 103 ASP HB2 2.500 . 3.500 2.310 2.234 2.367 . 0 0 "[ . 1 . 2]" 1
881 1 103 ASP H 1 104 VAL H 2.200 . 3.100 2.685 2.628 2.845 . 0 0 "[ . 1 . 2]" 1
882 1 103 ASP HA 1 103 ASP HB3 2.100 . 2.900 3.010 2.981 3.023 0.123 6 0 "[ . 1 . 2]" 1
883 1 103 ASP HA 1 103 ASP HB2 2.300 . 3.300 2.609 2.571 2.679 . 0 0 "[ . 1 . 2]" 1
884 1 103 ASP HA 1 106 GLN H 2.900 . 4.100 3.652 3.380 3.884 . 0 0 "[ . 1 . 2]" 1
885 1 103 ASP HA 1 106 GLN QG 2.900 . 4.100 3.546 2.233 4.347 0.247 18 0 "[ . 1 . 2]" 1
886 1 103 ASP HB3 1 104 VAL H 2.500 . 3.500 2.561 2.487 2.607 . 0 0 "[ . 1 . 2]" 1
887 1 103 ASP HB2 1 104 VAL H 2.600 . 3.600 3.653 3.529 3.736 0.136 8 0 "[ . 1 . 2]" 1
888 1 104 VAL H 1 104 VAL HA 2.700 . 3.800 2.873 2.842 2.905 . 0 0 "[ . 1 . 2]" 1
889 1 104 VAL H 1 104 VAL HB 2.500 . 3.500 2.476 2.313 3.616 0.116 6 0 "[ . 1 . 2]" 1
890 1 104 VAL H 1 104 VAL MG1 3.500 . 4.900 3.674 2.186 3.780 . 0 0 "[ . 1 . 2]" 1
891 1 104 VAL H 1 104 VAL MG2 3.100 . 4.300 2.304 1.780 2.491 0.020 6 0 "[ . 1 . 2]" 1
892 1 104 VAL H 1 105 TYR H 2.500 . 3.500 2.670 2.531 2.806 . 0 0 "[ . 1 . 2]" 1
893 1 104 VAL HA 1 104 VAL MG1 2.600 . 3.600 2.374 2.276 2.482 . 0 0 "[ . 1 . 2]" 1
894 1 104 VAL HA 1 104 VAL MG2 2.800 . 3.900 2.369 2.249 3.193 . 0 0 "[ . 1 . 2]" 1
895 1 104 VAL HA 1 107 THR HB 2.900 . 4.100 3.162 2.438 4.373 0.273 18 0 "[ . 1 . 2]" 1
896 1 104 VAL HA 1 107 THR MG 3.300 . 4.600 3.768 2.309 4.436 . 0 0 "[ . 1 . 2]" 1
897 1 104 VAL HB 1 105 TYR H 2.400 . 3.300 2.701 2.513 3.580 0.280 6 0 "[ . 1 . 2]" 1
898 1 104 VAL MG1 1 139 VAL MG2 2.700 . 3.800 3.252 2.106 4.104 0.304 18 0 "[ . 1 . 2]" 1
899 1 104 VAL MG2 1 105 TYR H 5.200 . 7.300 3.852 1.904 4.031 . 0 0 "[ . 1 . 2]" 1
900 1 105 TYR H 1 105 TYR HA 2.500 . 3.600 2.856 2.830 2.886 . 0 0 "[ . 1 . 2]" 1
901 1 105 TYR H 1 105 TYR HB3 3.000 . 4.300 3.083 2.559 3.594 . 0 0 "[ . 1 . 2]" 1
902 1 105 TYR H 1 105 TYR HB2 3.100 . 4.300 2.364 2.136 2.593 . 0 0 "[ . 1 . 2]" 1
903 1 105 TYR H 1 105 TYR QD 3.200 . 4.500 3.291 2.029 4.201 . 0 0 "[ . 1 . 2]" 1
904 1 105 TYR H 1 106 GLN H 2.700 . 3.800 2.725 2.600 2.883 . 0 0 "[ . 1 . 2]" 1
905 1 105 TYR H 1 107 THR H 3.000 . 4.200 4.081 3.885 4.201 0.001 17 0 "[ . 1 . 2]" 1
906 1 105 TYR HA 1 105 TYR HB3 2.400 . 3.300 2.862 2.605 3.036 . 0 0 "[ . 1 . 2]" 1
907 1 105 TYR HA 1 105 TYR HB2 2.500 . 3.500 2.742 2.482 3.011 . 0 0 "[ . 1 . 2]" 1
908 1 105 TYR HA 1 105 TYR QD 3.200 . 4.500 2.289 2.077 2.542 . 0 0 "[ . 1 . 2]" 1
909 1 105 TYR HB3 1 105 TYR QD 2.900 . 4.100 2.333 2.293 2.403 . 0 0 "[ . 1 . 2]" 1
910 1 105 TYR HB3 1 106 GLN H 3.100 . 4.300 2.989 2.686 3.581 . 0 0 "[ . 1 . 2]" 1
911 1 105 TYR HB2 1 105 TYR QD 2.900 . 4.000 2.703 2.614 2.787 . 0 0 "[ . 1 . 2]" 1
912 1 105 TYR HB2 1 106 GLN H 3.300 . 4.700 3.392 2.568 3.999 . 0 0 "[ . 1 . 2]" 1
913 1 105 TYR QD 1 106 GLN H 3.800 . 5.400 4.270 4.073 4.662 . 0 0 "[ . 1 . 2]" 1
914 1 105 TYR QD 1 106 GLN QG 4.100 . 5.700 4.756 3.427 5.759 0.059 18 0 "[ . 1 . 2]" 1
915 1 105 TYR QD 1 109 VAL MG2 5.600 . 7.900 4.092 3.207 5.157 . 0 0 "[ . 1 . 2]" 1
916 1 105 TYR QE 1 109 VAL MG2 4.700 . 6.600 4.702 2.967 6.690 0.090 4 0 "[ . 1 . 2]" 1
917 1 105 TYR QE 1 139 VAL H 4.500 . 6.300 6.509 5.205 6.863 0.563 19 1 "[ . 1 . +2]" 1
918 1 106 GLN H 1 106 GLN HA 2.500 . 3.500 2.891 2.865 2.918 . 0 0 "[ . 1 . 2]" 1
919 1 106 GLN H 1 106 GLN QB 2.600 . 3.600 2.398 2.065 2.629 . 0 0 "[ . 1 . 2]" 1
920 1 106 GLN H 1 106 GLN QG 3.000 . 4.200 2.449 1.833 3.974 . 0 0 "[ . 1 . 2]" 1
921 1 106 GLN H 1 107 THR H 2.700 . 3.800 2.568 2.466 2.647 . 0 0 "[ . 1 . 2]" 1
922 1 106 GLN HA 1 106 GLN QB 2.500 . 3.500 2.375 2.199 2.546 . 0 0 "[ . 1 . 2]" 1
923 1 106 GLN HA 1 106 GLN QG 3.000 . 4.300 2.656 2.286 3.306 . 0 0 "[ . 1 . 2]" 1
924 1 106 GLN HA 1 109 VAL H 2.200 . 3.100 3.240 3.101 3.381 0.281 6 0 "[ . 1 . 2]" 1
925 1 106 GLN HA 1 109 VAL HB 2.100 . 3.100 2.665 2.293 2.979 . 0 0 "[ . 1 . 2]" 1
926 1 106 GLN HA 1 109 VAL MG1 3.200 . 4.500 4.021 3.666 4.288 . 0 0 "[ . 1 . 2]" 1
927 1 106 GLN HA 1 109 VAL MG2 3.500 . 4.900 2.577 2.335 2.962 . 0 0 "[ . 1 . 2]" 1
928 1 106 GLN HA 1 110 VAL H 3.200 . 4.500 4.268 3.841 4.608 0.108 3 0 "[ . 1 . 2]" 1
929 1 106 GLN QB 1 106 GLN QG 2.200 . 3.100 2.074 2.030 2.109 . 0 0 "[ . 1 . 2]" 1
930 1 106 GLN QB 1 107 THR H 2.700 . 3.800 2.843 2.596 3.535 . 0 0 "[ . 1 . 2]" 1
931 1 106 GLN HE22 1 106 GLN QG 3.200 . 4.500 3.292 3.274 3.350 . 0 0 "[ . 1 . 2]" 1
932 1 106 GLN QG 1 107 THR H 3.100 . 4.500 3.829 2.032 4.579 0.079 12 0 "[ . 1 . 2]" 1
933 1 107 THR H 1 107 THR HA 2.900 . 4.100 2.854 2.831 2.902 . 0 0 "[ . 1 . 2]" 1
934 1 107 THR H 1 107 THR HB 2.600 . 3.700 2.815 2.572 3.627 . 0 0 "[ . 1 . 2]" 1
935 1 107 THR H 1 107 THR MG 3.200 . 4.500 3.479 2.224 3.778 . 0 0 "[ . 1 . 2]" 1
936 1 107 THR HA 1 107 THR HB 2.900 . 4.100 2.928 2.477 3.036 . 0 0 "[ . 1 . 2]" 1
937 1 107 THR HA 1 107 THR MG 3.000 . 4.200 2.285 2.251 2.412 . 0 0 "[ . 1 . 2]" 1
938 1 107 THR HA 1 110 VAL H 3.300 . 4.600 3.644 3.476 3.808 . 0 0 "[ . 1 . 2]" 1
939 1 107 THR HA 1 110 VAL HB 2.400 . 3.400 3.257 2.998 3.430 0.030 9 0 "[ . 1 . 2]" 1
940 1 107 THR HA 1 110 VAL MG1 3.400 . 4.800 4.612 4.384 4.758 . 0 0 "[ . 1 . 2]" 1
941 1 107 THR HA 1 110 VAL MG2 3.000 . 4.200 3.487 3.233 3.692 . 0 0 "[ . 1 . 2]" 1
942 1 107 THR HB 1 108 LEU H 2.800 . 4.000 2.788 2.400 3.760 . 0 0 "[ . 1 . 2]" 1
943 1 107 THR MG 1 108 LEU H 4.700 . 6.600 3.630 3.428 3.993 . 0 0 "[ . 1 . 2]" 1
944 1 108 LEU H 1 108 LEU HA 2.200 . 3.100 2.881 2.856 2.901 . 0 0 "[ . 1 . 2]" 1
945 1 108 LEU H 1 108 LEU HB2 2.900 . 4.100 2.492 2.142 3.618 . 0 0 "[ . 1 . 2]" 1
946 1 108 LEU H 1 108 LEU HG 2.200 . 3.100 2.346 1.878 3.119 0.019 18 0 "[ . 1 . 2]" 1
947 1 108 LEU H 1 108 LEU MD1 2.600 . 3.600 3.431 2.514 3.754 0.154 18 0 "[ . 1 . 2]" 1
948 1 108 LEU H 1 109 VAL H 2.600 . 3.600 2.607 2.541 2.700 . 0 0 "[ . 1 . 2]" 1
949 1 108 LEU HA 1 108 LEU HG 2.300 . 3.200 2.851 2.331 3.523 0.323 9 0 "[ . 1 . 2]" 1
950 1 108 LEU HA 1 111 HIS HD2 4.500 . 6.300 4.615 2.339 6.294 . 0 0 "[ . 1 . 2]" 1
951 1 108 LEU HB3 1 108 LEU MD2 2.300 . 3.200 2.219 2.133 2.349 . 0 0 "[ . 1 . 2]" 1
952 1 108 LEU HB3 1 109 VAL H 3.200 . 4.500 3.680 3.308 3.974 . 0 0 "[ . 1 . 2]" 1
953 1 108 LEU HB2 1 109 VAL H 3.500 . 4.900 2.797 2.514 3.798 . 0 0 "[ . 1 . 2]" 1
954 1 108 LEU HG 1 109 VAL H 3.200 . 4.500 4.244 1.806 4.863 0.363 18 0 "[ . 1 . 2]" 1
955 1 108 LEU QD 1 109 VAL H 2.900 . 4.100 4.012 2.573 4.208 0.108 1 0 "[ . 1 . 2]" 1
956 1 109 VAL H 1 109 VAL HB 2.500 . 3.600 2.481 2.422 2.540 . 0 0 "[ . 1 . 2]" 1
957 1 109 VAL H 1 109 VAL MG1 3.400 . 4.800 3.770 3.754 3.782 . 0 0 "[ . 1 . 2]" 1
958 1 109 VAL H 1 109 VAL MG2 3.400 . 4.700 2.207 2.080 2.359 . 0 0 "[ . 1 . 2]" 1
959 1 109 VAL HA 1 109 VAL MG1 3.300 . 4.800 2.339 2.280 2.395 . 0 0 "[ . 1 . 2]" 1
960 1 109 VAL HA 1 109 VAL MG2 3.200 . 4.500 2.320 2.246 2.402 . 0 0 "[ . 1 . 2]" 1
961 1 109 VAL HA 1 110 VAL H 4.100 . 5.700 3.578 3.573 3.588 . 0 0 "[ . 1 . 2]" 1
962 1 109 VAL HA 1 112 GLY H 5.700 . 8.000 3.381 3.294 3.462 . 0 0 "[ . 1 . 2]" 1
963 1 109 VAL HA 1 113 GLN H 2.300 . 3.200 3.538 3.473 3.640 0.440 17 0 "[ . 1 . 2]" 1
964 1 109 VAL HB 1 110 VAL H 2.900 . 4.100 2.577 2.532 2.652 . 0 0 "[ . 1 . 2]" 1
965 1 109 VAL MG1 1 110 VAL H 3.600 . 5.100 3.335 3.233 3.456 . 0 0 "[ . 1 . 2]" 1
966 1 109 VAL MG1 1 113 GLN HG3 6.000 . 8.400 2.293 2.164 2.492 . 0 0 "[ . 1 . 2]" 1
967 1 109 VAL MG1 1 113 GLN HG2 4.000 . 5.600 2.377 2.267 2.555 . 0 0 "[ . 1 . 2]" 1
968 1 109 VAL MG2 1 110 VAL H 4.000 . 5.700 3.902 3.831 3.960 . 0 0 "[ . 1 . 2]" 1
969 1 110 VAL H 1 110 VAL HA 2.600 . 3.600 2.880 2.864 2.889 . 0 0 "[ . 1 . 2]" 1
970 1 110 VAL H 1 110 VAL HB 2.400 . 3.400 2.458 2.414 2.508 . 0 0 "[ . 1 . 2]" 1
971 1 110 VAL H 1 110 VAL MG1 3.700 . 5.200 3.770 3.758 3.783 . 0 0 "[ . 1 . 2]" 1
972 1 110 VAL H 1 111 HIS H 2.400 . 3.400 2.643 2.602 2.702 . 0 0 "[ . 1 . 2]" 1
973 1 110 VAL HA 1 110 VAL HB 2.100 . 2.900 3.033 3.029 3.037 0.137 12 0 "[ . 1 . 2]" 1
974 1 110 VAL HA 1 110 VAL MG1 2.400 . 3.300 2.335 2.286 2.368 . 0 0 "[ . 1 . 2]" 1
975 1 110 VAL HA 1 111 HIS H 2.800 . 3.900 3.569 3.550 3.579 . 0 0 "[ . 1 . 2]" 1
976 1 110 VAL HA 1 113 GLN H 2.100 . 3.000 3.243 3.157 3.334 0.334 18 0 "[ . 1 . 2]" 1
977 1 110 VAL HA 1 113 GLN HG3 2.700 . 3.800 2.975 2.390 3.545 . 0 0 "[ . 1 . 2]" 1
978 1 110 VAL HA 1 113 GLN HG2 2.800 . 3.900 3.892 3.737 4.012 0.112 2 0 "[ . 1 . 2]" 1
979 1 110 VAL HB 1 111 HIS H 2.300 . 3.200 2.544 2.478 2.670 . 0 0 "[ . 1 . 2]" 1
980 1 110 VAL MG1 1 110 VAL MG2 2.500 . 3.500 2.010 1.890 2.081 . 0 0 "[ . 1 . 2]" 1
981 1 110 VAL MG1 1 111 HIS H 4.200 . 6.100 3.316 3.225 3.458 . 0 0 "[ . 1 . 2]" 1
982 1 110 VAL MG2 1 111 HIS H 3.100 . 4.400 3.883 3.811 3.939 . 0 0 "[ . 1 . 2]" 1
983 1 111 HIS H 1 111 HIS HA 2.600 . 3.700 2.865 2.848 2.881 . 0 0 "[ . 1 . 2]" 1
984 1 111 HIS H 1 111 HIS QB 2.800 . 3.900 2.335 2.080 2.472 . 0 0 "[ . 1 . 2]" 1
985 1 111 HIS H 1 111 HIS HD2 3.600 . 5.000 4.340 2.938 5.246 0.246 2 0 "[ . 1 . 2]" 1
986 1 111 HIS HA 1 111 HIS QB 2.600 . 3.600 2.403 2.187 2.538 . 0 0 "[ . 1 . 2]" 1
987 1 111 HIS HA 1 112 GLY H 3.400 . 4.700 3.530 3.518 3.550 . 0 0 "[ . 1 . 2]" 1
988 1 111 HIS HA 1 114 VAL HB 2.700 . 3.800 3.238 2.719 3.879 0.079 17 0 "[ . 1 . 2]" 1
989 1 112 GLY H 1 113 GLN H 2.500 . 3.700 2.601 2.527 2.721 . 0 0 "[ . 1 . 2]" 1
990 1 112 GLY QA 1 113 GLN H 2.600 . 3.700 2.706 2.629 2.777 . 0 0 "[ . 1 . 2]" 1
991 1 113 GLN H 1 113 GLN HA 2.300 . 3.200 2.831 2.820 2.850 . 0 0 "[ . 1 . 2]" 1
992 1 113 GLN H 1 113 GLN QB 2.300 . 3.200 2.426 2.391 2.472 . 0 0 "[ . 1 . 2]" 1
993 1 113 GLN H 1 113 GLN HG3 2.300 . 3.200 3.230 2.896 3.405 0.205 19 0 "[ . 1 . 2]" 1
994 1 113 GLN H 1 113 GLN HG2 2.500 . 3.500 2.382 2.200 2.545 . 0 0 "[ . 1 . 2]" 1
995 1 113 GLN HA 1 113 GLN QB 2.300 . 3.200 2.413 2.394 2.431 . 0 0 "[ . 1 . 2]" 1
996 1 113 GLN HA 1 113 GLN HG3 2.500 . 3.500 3.665 3.600 3.710 0.210 19 0 "[ . 1 . 2]" 1
997 1 113 GLN HA 1 113 GLN HG2 2.200 . 3.100 2.496 2.332 2.708 . 0 0 "[ . 1 . 2]" 1
998 1 113 GLN HA 1 116 ASP HB3 2.900 . 4.200 3.826 3.158 4.323 0.123 3 0 "[ . 1 . 2]" 1
999 1 113 GLN HA 1 116 ASP HB2 2.800 . 3.900 3.743 2.911 3.996 0.096 15 0 "[ . 1 . 2]" 1
1000 1 113 GLN QB 1 113 GLN HG3 1.900 . 2.700 2.177 2.168 2.188 . 0 0 "[ . 1 . 2]" 1
1001 1 113 GLN HE21 1 113 GLN HG2 3.200 . 4.500 2.540 2.249 3.563 . 0 0 "[ . 1 . 2]" 1
1002 1 113 GLN HE22 1 113 GLN HG2 4.100 . 5.700 3.637 3.507 4.095 . 0 0 "[ . 1 . 2]" 1
1003 1 114 VAL HA 1 114 VAL HB 2.200 . 3.100 3.031 3.026 3.035 . 0 0 "[ . 1 . 2]" 1
1004 1 114 VAL HA 1 115 LEU H 3.000 . 4.200 3.541 3.514 3.565 . 0 0 "[ . 1 . 2]" 1
1005 1 114 VAL MG1 1 115 LEU H 2.700 . 3.800 3.440 3.297 3.558 . 0 0 "[ . 1 . 2]" 1
1006 1 114 VAL MG1 1 124 PHE QB 4.200 . 6.100 3.155 2.060 4.495 . 0 0 "[ . 1 . 2]" 1
1007 1 114 VAL MG1 1 124 PHE QE 4.300 . 6.000 5.158 2.400 6.067 0.067 3 0 "[ . 1 . 2]" 1
1008 1 115 LEU H 1 115 LEU HA 2.400 . 3.400 2.838 2.802 2.930 . 0 0 "[ . 1 . 2]" 1
1009 1 115 LEU H 1 115 LEU HB3 2.800 . 3.900 2.653 2.168 3.628 . 0 0 "[ . 1 . 2]" 1
1010 1 115 LEU H 1 115 LEU HB2 2.600 . 3.600 2.804 2.217 3.562 . 0 0 "[ . 1 . 2]" 1
1011 1 115 LEU H 1 115 LEU HG 3.000 . 4.200 3.657 2.132 4.447 0.247 11 0 "[ . 1 . 2]" 1
1012 1 115 LEU H 1 115 LEU MD1 4.300 . 6.000 3.995 1.764 4.356 0.036 17 0 "[ . 1 . 2]" 1
1013 1 115 LEU H 1 115 LEU MD2 2.800 . 3.900 3.847 3.272 4.228 0.328 5 0 "[ . 1 . 2]" 1
1014 1 115 LEU HA 1 115 LEU HB3 2.200 . 3.100 2.838 2.507 3.035 . 0 0 "[ . 1 . 2]" 1
1015 1 115 LEU HA 1 115 LEU MD1 3.200 . 4.500 3.388 3.054 3.834 . 0 0 "[ . 1 . 2]" 1
1016 1 115 LEU HA 1 124 PHE QB 3.300 . 4.600 3.492 2.424 4.626 0.026 5 0 "[ . 1 . 2]" 1
1017 1 115 LEU HA 1 124 PHE QD 3.100 . 4.300 2.856 2.340 3.742 . 0 0 "[ . 1 . 2]" 1
1018 1 115 LEU HB3 1 115 LEU MD2 2.300 . 3.200 2.180 2.131 2.343 . 0 0 "[ . 1 . 2]" 1
1019 1 115 LEU HB2 1 115 LEU MD2 2.500 . 3.500 2.921 2.497 3.192 . 0 0 "[ . 1 . 2]" 1
1020 1 115 LEU MD2 1 115 LEU HG 2.300 . 3.300 2.147 2.130 2.153 . 0 0 "[ . 1 . 2]" 1
1021 1 115 LEU HG 1 124 PHE QD 4.000 . 5.600 4.306 2.833 5.695 0.095 18 0 "[ . 1 . 2]" 1
1022 1 115 LEU MD1 1 116 ASP H 3.900 . 5.500 4.340 2.783 5.565 0.065 8 0 "[ . 1 . 2]" 1
1023 1 115 LEU MD1 1 124 PHE QB 5.300 . 7.800 4.756 3.656 5.915 . 0 0 "[ . 1 . 2]" 1
1024 1 115 LEU MD1 1 124 PHE QD 4.900 . 6.900 4.013 3.209 5.226 . 0 0 "[ . 1 . 2]" 1
1025 1 115 LEU MD1 1 124 PHE QE 4.300 . 6.000 3.224 2.277 5.193 . 0 0 "[ . 1 . 2]" 1
1026 1 116 ASP H 1 116 ASP HB3 2.600 . 3.700 2.671 2.528 3.144 . 0 0 "[ . 1 . 2]" 1
1027 1 116 ASP H 1 116 ASP HB2 2.800 . 4.000 2.691 2.411 3.560 . 0 0 "[ . 1 . 2]" 1
1028 1 116 ASP H 1 124 PHE QE 3.600 . 5.100 5.213 5.107 5.298 0.198 7 0 "[ . 1 . 2]" 1
1029 1 117 SER HA 1 117 SER QB 1.800 . 2.500 2.301 2.175 2.506 0.006 2 0 "[ . 1 . 2]" 1
1030 1 121 GLY QA 1 122 PRO QG 3.300 . 4.600 3.852 3.631 4.013 . 0 0 "[ . 1 . 2]" 1
1031 1 121 GLY QA 1 122 PRO QD 2.300 . 3.200 2.123 2.013 2.265 . 0 0 "[ . 1 . 2]" 1
1032 1 122 PRO HA 1 123 GLY H 3.200 . 4.500 2.590 2.227 3.526 . 0 0 "[ . 1 . 2]" 1
1033 1 122 PRO HB2 1 122 PRO QD 2.400 . 3.400 3.091 2.851 3.560 0.160 1 0 "[ . 1 . 2]" 1
1034 1 122 PRO HB2 1 123 GLY H 3.400 . 4.800 3.404 2.874 3.896 . 0 0 "[ . 1 . 2]" 1
1035 1 122 PRO QD 1 122 PRO QG 2.300 . 3.100 1.992 1.986 2.000 . 0 0 "[ . 1 . 2]" 1
1036 1 123 GLY HA3 1 124 PHE H 2.800 . 3.900 2.692 2.187 3.587 . 0 0 "[ . 1 . 2]" 1
1037 1 123 GLY QA 1 124 PHE H 2.400 . 3.400 2.374 2.157 2.929 . 0 0 "[ . 1 . 2]" 1
1038 1 123 GLY HA2 1 124 PHE H 2.500 . 3.500 3.030 2.245 3.587 0.087 18 0 "[ . 1 . 2]" 1
1039 1 124 PHE H 1 124 PHE QB 3.000 . 4.300 2.912 2.279 3.165 . 0 0 "[ . 1 . 2]" 1
1040 1 124 PHE H 1 124 PHE QD 3.200 . 4.500 3.091 1.978 4.452 . 0 0 "[ . 1 . 2]" 1
1041 1 124 PHE H 1 125 THR H 3.200 . 4.500 4.270 2.770 4.547 0.047 17 0 "[ . 1 . 2]" 1
1042 1 124 PHE HA 1 124 PHE QD 3.600 . 5.000 3.425 2.282 3.717 . 0 0 "[ . 1 . 2]" 1
1043 1 124 PHE QB 1 124 PHE QD 2.900 . 4.100 2.158 2.148 2.211 . 0 0 "[ . 1 . 2]" 1
1044 1 124 PHE QB 1 125 THR H 3.500 . 4.900 2.890 2.383 4.071 . 0 0 "[ . 1 . 2]" 1
1045 1 124 PHE QD 1 128 ASP H 2.900 . 4.100 4.176 3.948 4.260 0.160 17 0 "[ . 1 . 2]" 1
1046 1 125 THR HA 1 125 THR HB 2.900 . 4.000 2.476 2.366 2.965 . 0 0 "[ . 1 . 2]" 1
1047 1 125 THR HA 1 125 THR MG 2.500 . 3.500 2.570 2.132 3.182 . 0 0 "[ . 1 . 2]" 1
1048 1 125 THR MG 1 127 ASP H 3.300 . 4.600 3.532 1.750 4.552 0.050 12 0 "[ . 1 . 2]" 1
1049 1 126 LEU H 1 126 LEU HB3 3.400 . 4.700 3.431 2.670 3.619 . 0 0 "[ . 1 . 2]" 1
1050 1 126 LEU H 1 126 LEU HB2 3.100 . 4.300 2.605 2.129 3.533 . 0 0 "[ . 1 . 2]" 1
1051 1 126 LEU H 1 127 ASP H 3.700 . 5.200 2.721 2.628 2.778 . 0 0 "[ . 1 . 2]" 1
1052 1 126 LEU HA 1 126 LEU HB3 2.400 . 3.400 2.550 2.306 3.034 . 0 0 "[ . 1 . 2]" 1
1053 1 126 LEU HA 1 126 LEU HB2 2.100 . 2.900 2.932 2.510 3.034 0.134 10 0 "[ . 1 . 2]" 1
1054 1 126 LEU HA 1 126 LEU MD2 2.300 . 3.200 2.375 2.087 3.418 0.218 8 0 "[ . 1 . 2]" 1
1055 1 126 LEU HA 1 127 ASP H 2.300 . 3.200 3.490 3.476 3.511 0.311 18 0 "[ . 1 . 2]" 1
1056 1 126 LEU HA 1 129 LEU H 2.500 . 3.500 3.329 3.245 3.444 . 0 0 "[ . 1 . 2]" 1
1057 1 126 LEU HB3 1 126 LEU QD 2.700 . 3.800 2.066 2.017 2.188 . 0 0 "[ . 1 . 2]" 1
1058 1 126 LEU QB 1 127 ASP H 2.500 . 3.500 2.912 2.787 3.454 . 0 0 "[ . 1 . 2]" 1
1059 1 126 LEU HB2 1 126 LEU QD 2.500 . 3.500 2.259 2.109 2.370 . 0 0 "[ . 1 . 2]" 1
1060 1 126 LEU QD 1 127 ASP H 3.300 . 4.600 3.980 3.283 4.197 . 0 0 "[ . 1 . 2]" 1
1061 1 127 ASP H 1 127 ASP HA 2.700 . 3.800 2.868 2.838 2.888 . 0 0 "[ . 1 . 2]" 1
1062 1 127 ASP H 1 127 ASP QB 2.900 . 4.000 2.349 2.245 2.471 . 0 0 "[ . 1 . 2]" 1
1063 1 127 ASP H 1 128 ASP H 2.400 . 3.400 2.698 2.616 2.803 . 0 0 "[ . 1 . 2]" 1
1064 1 127 ASP HA 1 127 ASP QB 2.300 . 3.200 2.383 2.199 2.418 . 0 0 "[ . 1 . 2]" 1
1065 1 128 ASP HA 1 129 LEU H 2.300 . 3.300 3.548 3.530 3.564 0.264 16 0 "[ . 1 . 2]" 1
1066 1 129 LEU H 1 129 LEU HB3 2.700 . 3.800 3.320 2.655 3.628 . 0 0 "[ . 1 . 2]" 1
1067 1 129 LEU H 1 129 LEU HB2 3.100 . 4.300 2.437 2.229 2.652 . 0 0 "[ . 1 . 2]" 1
1068 1 129 LEU HA 1 130 ASP H 2.300 . 3.200 3.559 3.540 3.583 0.383 20 0 "[ . 1 . 2]" 1
1069 1 129 LEU HA 1 132 LEU H 1.900 . 2.600 2.946 2.853 3.071 0.471 20 0 "[ . 1 . 2]" 1
1070 1 129 LEU HA 1 132 LEU HB2 2.700 . 3.800 2.576 2.275 3.231 . 0 0 "[ . 1 . 2]" 1
1071 1 129 LEU HA 1 132 LEU MD1 2.600 . 3.600 3.135 2.364 3.852 0.252 14 0 "[ . 1 . 2]" 1
1072 1 129 LEU HA 1 133 VAL H 2.300 . 3.200 3.424 3.349 3.509 0.309 13 0 "[ . 1 . 2]" 1
1073 1 129 LEU HB2 1 129 LEU MD2 2.500 . 3.500 2.783 2.276 3.192 . 0 0 "[ . 1 . 2]" 1
1074 1 130 ASP H 1 130 ASP HA 2.600 . 3.600 2.859 2.846 2.874 . 0 0 "[ . 1 . 2]" 1
1075 1 130 ASP H 1 130 ASP QB 2.500 . 3.500 2.377 2.270 2.457 . 0 0 "[ . 1 . 2]" 1
1076 1 130 ASP H 1 130 ASP HB2 2.700 . 3.800 2.476 2.434 2.514 . 0 0 "[ . 1 . 2]" 1
1077 1 130 ASP H 1 131 ARG H 2.400 . 3.400 2.575 2.521 2.642 . 0 0 "[ . 1 . 2]" 1
1078 1 130 ASP HA 1 130 ASP HB3 2.100 . 2.900 2.721 2.501 3.038 0.138 12 0 "[ . 1 . 2]" 1
1079 1 130 ASP HA 1 130 ASP HB2 2.200 . 3.100 2.839 2.521 3.040 . 0 0 "[ . 1 . 2]" 1
1080 1 130 ASP HA 1 133 VAL H 2.700 . 3.800 3.669 3.605 3.745 . 0 0 "[ . 1 . 2]" 1
1081 1 130 ASP HA 1 133 VAL HB 2.000 . 2.800 2.677 2.519 2.850 0.050 1 0 "[ . 1 . 2]" 1
1082 1 130 ASP HA 1 133 VAL MG1 4.800 . 7.600 4.002 3.855 4.183 . 0 0 "[ . 1 . 2]" 1
1083 1 130 ASP HA 1 133 VAL MG2 3.300 . 4.800 3.322 3.117 3.511 . 0 0 "[ . 1 . 2]" 1
1084 1 130 ASP QB 1 131 ARG H 2.400 . 3.300 2.614 2.564 2.650 . 0 0 "[ . 1 . 2]" 1
1085 1 131 ARG H 1 131 ARG HB2 2.500 . 3.500 2.488 2.432 2.622 . 0 0 "[ . 1 . 2]" 1
1086 1 132 LEU H 1 132 LEU HA 2.100 . 2.900 2.895 2.884 2.900 0.000 6 0 "[ . 1 . 2]" 1
1087 1 132 LEU H 1 132 LEU HB3 2.500 . 3.500 3.213 2.528 3.631 0.131 13 0 "[ . 1 . 2]" 1
1088 1 132 LEU H 1 132 LEU HB2 2.900 . 4.100 2.381 2.234 2.667 . 0 0 "[ . 1 . 2]" 1
1089 1 132 LEU HA 1 132 LEU MD1 3.000 . 4.200 3.470 2.379 3.812 . 0 0 "[ . 1 . 2]" 1
1090 1 132 LEU HA 1 133 VAL H 2.600 . 3.600 3.583 3.576 3.589 . 0 0 "[ . 1 . 2]" 1
1091 1 132 LEU HA 1 134 ALA H 2.500 . 3.500 3.984 3.932 4.055 0.555 20 7 "[ *.* *1** - +]" 1
1092 1 132 LEU HA 1 135 CYS HB3 3.200 . 4.500 3.931 2.383 4.548 0.048 5 0 "[ . 1 . 2]" 1
1093 1 132 LEU HA 1 135 CYS HB2 3.200 . 4.500 3.119 2.489 4.347 . 0 0 "[ . 1 . 2]" 1
1094 1 132 LEU HB3 1 133 VAL H 2.300 . 3.200 2.918 2.408 3.408 0.208 18 0 "[ . 1 . 2]" 1
1095 1 132 LEU HB2 1 132 LEU MD1 2.400 . 3.400 2.285 2.148 3.157 . 0 0 "[ . 1 . 2]" 1
1096 1 133 VAL H 1 133 VAL HB 2.400 . 3.400 2.466 2.434 2.490 . 0 0 "[ . 1 . 2]" 1
1097 1 133 VAL H 1 133 VAL MG2 3.400 . 4.700 2.253 2.143 2.349 . 0 0 "[ . 1 . 2]" 1
1098 1 133 VAL H 1 134 ALA H 2.500 . 3.500 2.635 2.597 2.665 . 0 0 "[ . 1 . 2]" 1
1099 1 133 VAL H 1 135 CYS H 3.600 . 5.000 4.281 4.066 4.373 . 0 0 "[ . 1 . 2]" 1
1100 1 133 VAL HA 1 133 VAL HB 2.700 . 3.800 3.033 3.029 3.035 . 0 0 "[ . 1 . 2]" 1
1101 1 133 VAL HA 1 133 VAL MG1 3.300 . 5.000 2.360 2.323 2.382 . 0 0 "[ . 1 . 2]" 1
1102 1 133 VAL HA 1 133 VAL MG2 3.000 . 4.200 2.324 2.262 2.368 . 0 0 "[ . 1 . 2]" 1
1103 1 133 VAL HA 1 136 SER H 3.300 . 4.600 3.444 3.269 3.580 . 0 0 "[ . 1 . 2]" 1
1104 1 133 VAL HA 1 136 SER HB3 3.100 . 4.500 2.754 2.393 3.046 . 0 0 "[ . 1 . 2]" 1
1105 1 133 VAL HA 1 136 SER HB2 2.700 . 3.800 3.172 2.903 3.874 0.074 20 0 "[ . 1 . 2]" 1
1106 1 133 VAL HB 1 134 ALA H 2.100 . 2.900 2.809 2.779 2.864 . 0 0 "[ . 1 . 2]" 1
1107 1 133 VAL MG1 1 134 ALA H 3.100 . 4.400 3.539 3.492 3.609 . 0 0 "[ . 1 . 2]" 1
1108 1 133 VAL MG2 1 134 ALA H 3.400 . 4.800 3.963 3.942 3.997 . 0 0 "[ . 1 . 2]" 1
1109 1 133 VAL MG2 1 136 SER HB3 3.300 . 4.600 4.451 4.232 4.632 0.032 19 0 "[ . 1 . 2]" 1
1110 1 134 ALA H 1 134 ALA HA 2.100 . 3.000 2.890 2.870 2.900 . 0 0 "[ . 1 . 2]" 1
1111 1 134 ALA H 1 134 ALA MB 2.400 . 3.300 2.210 2.050 2.260 . 0 0 "[ . 1 . 2]" 1
1112 1 134 ALA MB 1 135 CYS H 2.800 . 3.900 2.468 2.346 2.699 . 0 0 "[ . 1 . 2]" 1
1113 1 135 CYS H 1 135 CYS HA 2.300 . 3.200 2.875 2.857 2.926 . 0 0 "[ . 1 . 2]" 1
1114 1 135 CYS H 1 135 CYS HB3 2.800 . 4.000 3.244 2.074 3.624 . 0 0 "[ . 1 . 2]" 1
1115 1 135 CYS H 1 135 CYS HB2 2.700 . 3.800 2.730 2.366 3.449 . 0 0 "[ . 1 . 2]" 1
1116 1 135 CYS H 1 136 SER H 2.500 . 3.500 2.627 2.470 2.693 . 0 0 "[ . 1 . 2]" 1
1117 1 135 CYS HA 1 135 CYS HB3 2.500 . 3.500 2.567 2.384 2.981 . 0 0 "[ . 1 . 2]" 1
1118 1 135 CYS HA 1 135 CYS HB2 2.800 . 3.900 2.843 2.253 3.038 . 0 0 "[ . 1 . 2]" 1
1119 1 135 CYS HA 1 136 SER H 3.000 . 4.200 3.548 3.532 3.569 . 0 0 "[ . 1 . 2]" 1
1120 1 135 CYS HA 1 138 ALA MB 3.200 . 4.600 2.500 2.319 2.666 . 0 0 "[ . 1 . 2]" 1
1121 1 135 CYS HB3 1 136 SER H 3.600 . 5.000 3.562 2.768 3.903 . 0 0 "[ . 1 . 2]" 1
1122 1 135 CYS QB 1 136 SER H 2.900 . 4.100 2.663 2.483 3.211 . 0 0 "[ . 1 . 2]" 1
1123 1 135 CYS HB2 1 136 SER H 3.000 . 4.200 2.991 2.518 4.129 . 0 0 "[ . 1 . 2]" 1
1124 1 136 SER H 1 136 SER HB3 2.300 . 3.200 2.656 2.117 2.847 . 0 0 "[ . 1 . 2]" 1
1125 1 136 SER HA 1 136 SER HB3 2.500 . 3.500 3.029 2.911 3.040 . 0 0 "[ . 1 . 2]" 1
1126 1 136 SER HA 1 139 VAL H 3.500 . 4.900 3.757 3.530 3.925 . 0 0 "[ . 1 . 2]" 1
1127 1 136 SER HA 1 139 VAL MG1 3.000 . 4.200 4.295 2.547 4.684 0.484 3 0 "[ . 1 . 2]" 1
1128 1 136 SER HA 1 139 VAL MG2 3.100 . 4.300 3.798 2.149 4.426 0.126 15 0 "[ . 1 . 2]" 1
1129 1 136 SER HB3 1 137 ARG H 2.300 . 3.200 2.807 2.738 3.202 0.002 20 0 "[ . 1 . 2]" 1
1130 1 137 ARG H 1 137 ARG QB 2.800 . 3.900 2.329 2.131 2.685 . 0 0 "[ . 1 . 2]" 1
1131 1 137 ARG H 1 137 ARG HG3 3.000 . 4.200 3.469 2.043 4.280 0.080 7 0 "[ . 1 . 2]" 1
1132 1 137 ARG H 1 137 ARG HG2 2.800 . 3.900 3.087 2.067 4.181 0.281 1 0 "[ . 1 . 2]" 1
1133 1 137 ARG H 1 137 ARG QD 2.700 . 3.800 3.542 2.119 3.967 0.167 15 0 "[ . 1 . 2]" 1
1134 1 137 ARG H 1 138 ALA H 2.700 . 3.800 2.485 2.436 2.562 . 0 0 "[ . 1 . 2]" 1
1135 1 137 ARG HA 1 137 ARG QB 1.900 . 2.700 2.287 2.167 2.524 . 0 0 "[ . 1 . 2]" 1
1136 1 137 ARG HA 1 137 ARG HG3 2.300 . 3.200 3.274 2.243 3.726 0.526 9 1 "[ . +1 . 2]" 1
1137 1 137 ARG HA 1 137 ARG QD 2.900 . 4.100 3.724 2.071 4.275 0.175 19 0 "[ . 1 . 2]" 1
1138 1 137 ARG HA 1 138 ALA H 2.600 . 3.600 3.505 3.473 3.533 . 0 0 "[ . 1 . 2]" 1
1139 1 137 ARG HA 1 141 GLU H 2.800 . 3.900 4.353 4.206 4.470 0.570 3 5 "[ +**- 1 .* 2]" 1
1140 1 137 ARG QB 1 138 ALA H 2.600 . 3.700 3.141 2.691 3.535 . 0 0 "[ . 1 . 2]" 1
1141 1 137 ARG QD 1 137 ARG HG3 2.100 . 2.900 2.359 2.166 2.524 . 0 0 "[ . 1 . 2]" 1
1142 1 137 ARG QD 1 138 ALA H 3.300 . 4.600 4.437 3.318 4.888 0.288 18 0 "[ . 1 . 2]" 1
1143 1 138 ALA H 1 138 ALA HA 2.700 . 3.800 2.884 2.875 2.893 . 0 0 "[ . 1 . 2]" 1
1144 1 138 ALA H 1 140 PRO QD 3.200 . 4.500 3.331 3.189 3.446 . 0 0 "[ . 1 . 2]" 1
1145 1 138 ALA HA 1 139 VAL H 2.900 . 4.200 3.577 3.537 3.617 . 0 0 "[ . 1 . 2]" 1
1146 1 138 ALA HA 1 141 GLU H 2.700 . 3.800 3.900 3.815 4.052 0.252 15 0 "[ . 1 . 2]" 1
1147 1 138 ALA HA 1 141 GLU QB 2.900 . 4.100 3.128 2.812 4.136 0.036 15 0 "[ . 1 . 2]" 1
1148 1 138 ALA HA 1 141 GLU QG 3.000 . 4.200 3.963 2.194 4.518 0.318 17 0 "[ . 1 . 2]" 1
1149 1 138 ALA MB 1 139 VAL H 3.800 . 5.500 2.524 2.372 2.682 . 0 0 "[ . 1 . 2]" 1
1150 1 139 VAL H 1 139 VAL HA 2.800 . 3.900 2.828 2.806 2.854 . 0 0 "[ . 1 . 2]" 1
1151 1 139 VAL H 1 139 VAL HB 2.700 . 3.800 2.430 2.107 3.242 . 0 0 "[ . 1 . 2]" 1
1152 1 139 VAL H 1 139 VAL MG1 3.300 . 4.700 3.474 1.666 3.670 0.134 18 0 "[ . 1 . 2]" 1
1153 1 139 VAL H 1 139 VAL MG2 3.100 . 4.400 2.565 1.554 3.468 0.246 12 0 "[ . 1 . 2]" 1
1154 1 139 VAL H 1 140 PRO QD 2.900 . 4.100 2.221 2.104 2.382 . 0 0 "[ . 1 . 2]" 1
1155 1 139 VAL HA 1 139 VAL HB 2.300 . 3.200 2.909 2.216 2.978 . 0 0 "[ . 1 . 2]" 1
1156 1 139 VAL HA 1 139 VAL MG1 2.800 . 3.900 2.596 2.118 3.005 . 0 0 "[ . 1 . 2]" 1
1157 1 139 VAL HA 1 139 VAL MG2 3.000 . 4.300 2.314 2.124 2.863 . 0 0 "[ . 1 . 2]" 1
1158 1 139 VAL HA 1 140 PRO QD 2.800 . 3.900 3.504 3.479 3.544 . 0 0 "[ . 1 . 2]" 1
1159 1 139 VAL HA 1 142 ASP H 2.900 . 4.100 3.772 3.506 3.903 . 0 0 "[ . 1 . 2]" 1
1160 1 139 VAL HA 1 142 ASP QB 2.900 . 4.100 2.894 2.637 3.170 . 0 0 "[ . 1 . 2]" 1
1161 1 139 VAL HA 1 143 ALA H 3.900 . 5.500 4.008 3.559 4.647 . 0 0 "[ . 1 . 2]" 1
1162 1 139 VAL HB 1 140 PRO QD 2.800 . 3.900 2.199 1.942 3.897 . 0 0 "[ . 1 . 2]" 1
1163 1 139 VAL MG1 1 140 PRO QD 2.900 . 4.100 2.456 1.970 3.637 . 0 0 "[ . 1 . 2]" 1
1164 1 139 VAL MG2 1 140 PRO QD 3.600 . 5.000 3.193 2.028 3.630 . 0 0 "[ . 1 . 2]" 1
1165 1 140 PRO HA 1 140 PRO HB3 2.400 . 3.400 2.280 2.267 2.296 . 0 0 "[ . 1 . 2]" 1
1166 1 140 PRO HA 1 140 PRO QD 3.700 . 5.200 3.362 3.270 3.457 . 0 0 "[ . 1 . 2]" 1
1167 1 140 PRO HA 1 141 GLU H 2.900 . 4.100 3.573 3.561 3.590 . 0 0 "[ . 1 . 2]" 1
1168 1 140 PRO HA 1 142 ASP H 3.700 . 5.200 4.427 4.177 4.632 . 0 0 "[ . 1 . 2]" 1
1169 1 140 PRO HA 1 143 ALA H 4.800 . 6.700 3.271 3.027 3.500 . 0 0 "[ . 1 . 2]" 1
1170 1 140 PRO HA 1 143 ALA MB 2.600 . 3.700 2.290 2.174 2.497 . 0 0 "[ . 1 . 2]" 1
1171 1 140 PRO HA 1 144 LYS H 5.900 . 8.300 4.075 3.791 4.377 . 0 0 "[ . 1 . 2]" 1
1172 1 140 PRO HB2 1 140 PRO QD 2.500 . 3.500 3.352 2.927 3.567 0.067 4 0 "[ . 1 . 2]" 1
1173 1 140 PRO QD 1 141 GLU H 2.800 . 3.900 2.725 2.359 2.988 . 0 0 "[ . 1 . 2]" 1
1174 1 141 GLU H 1 141 GLU HA 2.100 . 2.900 2.870 2.851 2.889 . 0 0 "[ . 1 . 2]" 1
1175 1 141 GLU H 1 141 GLU QB 2.300 . 3.200 2.387 2.193 2.585 . 0 0 "[ . 1 . 2]" 1
1176 1 141 GLU H 1 141 GLU QG 2.800 . 3.900 2.906 1.972 4.093 0.193 1 0 "[ . 1 . 2]" 1
1177 1 141 GLU H 1 142 ASP H 2.500 . 3.500 2.636 2.570 2.698 . 0 0 "[ . 1 . 2]" 1
1178 1 141 GLU H 1 143 ALA H 3.200 . 4.400 3.923 3.824 4.057 . 0 0 "[ . 1 . 2]" 1
1179 1 141 GLU HA 1 141 GLU QG 2.500 . 3.500 2.682 2.322 3.360 . 0 0 "[ . 1 . 2]" 1
1180 1 141 GLU HA 1 144 LYS QE 3.100 . 4.300 3.556 2.278 4.434 0.134 12 0 "[ . 1 . 2]" 1
1181 1 141 GLU QB 1 141 GLU QG 1.900 . 2.700 2.074 2.029 2.111 . 0 0 "[ . 1 . 2]" 1
1182 1 141 GLU QB 1 142 ASP H 2.400 . 3.400 2.644 2.460 3.415 0.015 14 0 "[ . 1 . 2]" 1
1183 1 141 GLU QG 1 142 ASP H 3.400 . 4.800 3.570 1.868 4.154 . 0 0 "[ . 1 . 2]" 1
1184 1 142 ASP H 1 142 ASP HA 2.400 . 3.400 2.903 2.882 2.912 . 0 0 "[ . 1 . 2]" 1
1185 1 142 ASP H 1 142 ASP QB 2.700 . 3.800 2.380 2.274 2.425 . 0 0 "[ . 1 . 2]" 1
1186 1 142 ASP H 1 143 ALA H 2.700 . 3.800 2.516 2.459 2.602 . 0 0 "[ . 1 . 2]" 1
1187 1 142 ASP H 1 144 LYS H 2.900 . 4.000 4.200 4.131 4.303 0.303 1 0 "[ . 1 . 2]" 1
1188 1 142 ASP HA 1 143 ALA H 3.000 . 4.200 3.536 3.515 3.560 . 0 0 "[ . 1 . 2]" 1
1189 1 142 ASP HA 1 145 GLN HG3 2.600 . 3.600 3.131 2.347 3.613 0.013 3 0 "[ . 1 . 2]" 1
1190 1 142 ASP QB 1 143 ALA H 3.500 . 5.000 2.704 2.604 2.787 . 0 0 "[ . 1 . 2]" 1
1191 1 143 ALA H 1 143 ALA HA 2.400 . 3.400 2.849 2.840 2.857 . 0 0 "[ . 1 . 2]" 1
1192 1 143 ALA H 1 143 ALA MB 3.000 . 4.200 2.233 2.127 2.265 . 0 0 "[ . 1 . 2]" 1
1193 1 143 ALA H 1 144 LYS H 2.600 . 3.600 2.702 2.676 2.733 . 0 0 "[ . 1 . 2]" 1
1194 1 143 ALA HA 1 143 ALA MB 1.800 . 2.500 2.148 2.129 2.154 . 0 0 "[ . 1 . 2]" 1
1195 1 143 ALA MB 1 144 LYS H 2.300 . 3.200 2.509 2.450 2.623 . 0 0 "[ . 1 . 2]" 1
1196 1 144 LYS H 1 144 LYS QB 2.200 . 3.100 2.284 2.090 2.430 . 0 0 "[ . 1 . 2]" 1
1197 1 144 LYS HA 1 144 LYS HG3 2.400 . 3.300 2.624 2.278 3.103 . 0 0 "[ . 1 . 2]" 1
1198 1 144 LYS HA 1 144 LYS HG2 2.600 . 3.600 2.835 2.334 3.668 0.068 11 0 "[ . 1 . 2]" 1
1199 1 144 LYS HA 1 144 LYS QE 2.900 . 4.000 4.121 3.901 4.426 0.426 2 0 "[ . 1 . 2]" 1
1200 1 144 LYS QB 1 144 LYS HG3 2.500 . 3.500 2.381 2.315 2.525 . 0 0 "[ . 1 . 2]" 1
1201 1 144 LYS QB 1 144 LYS HG2 2.600 . 3.600 2.336 2.168 2.417 . 0 0 "[ . 1 . 2]" 1
1202 1 144 LYS QB 1 144 LYS QE 3.500 . 5.000 2.288 2.023 3.556 . 0 0 "[ . 1 . 2]" 1
1203 1 144 LYS QD 1 144 LYS HG3 2.100 . 2.900 2.324 2.166 2.503 . 0 0 "[ . 1 . 2]" 1
1204 1 144 LYS QE 1 144 LYS HG3 2.700 . 3.900 2.644 2.191 3.392 . 0 0 "[ . 1 . 2]" 1
1205 1 144 LYS QD 1 144 LYS HG2 2.200 . 3.100 2.284 2.177 2.540 . 0 0 "[ . 1 . 2]" 1
1206 1 144 LYS QE 1 144 LYS HG2 2.900 . 4.100 2.889 2.234 3.303 . 0 0 "[ . 1 . 2]" 1
1207 1 144 LYS QD 1 144 LYS QE 2.200 . 3.100 2.078 2.008 2.098 . 0 0 "[ . 1 . 2]" 1
1208 1 145 GLN H 1 145 GLN HG3 2.200 . 3.100 2.332 2.153 3.276 0.176 9 0 "[ . 1 . 2]" 1
1209 1 145 GLN H 1 145 GLN QG 2.400 . 3.300 2.209 2.042 2.373 . 0 0 "[ . 1 . 2]" 1
1210 1 145 GLN H 1 145 GLN HG2 2.500 . 3.500 3.351 2.063 3.598 0.098 13 0 "[ . 1 . 2]" 1
1211 1 145 GLN H 1 147 ALA H 2.600 . 3.600 3.969 3.885 4.072 0.472 5 0 "[ . 1 . 2]" 1
1212 1 145 GLN HA 1 145 GLN HG2 2.200 . 3.100 2.466 2.368 2.740 . 0 0 "[ . 1 . 2]" 1
1213 1 146 LEU H 1 146 LEU HB2 2.900 . 4.100 2.404 2.142 2.646 . 0 0 "[ . 1 . 2]" 1
1214 1 146 LEU H 1 147 ALA H 2.500 . 3.600 2.651 2.621 2.688 . 0 0 "[ . 1 . 2]" 1
1215 1 146 LEU HA 1 146 LEU HB3 1.800 . 2.500 2.796 2.455 3.036 0.536 3 8 "[ *+*. * 1* .- * *]" 1
1216 1 146 LEU HA 1 146 LEU HB2 2.700 . 3.800 2.791 2.438 3.040 . 0 0 "[ . 1 . 2]" 1
1217 1 146 LEU HA 1 149 PHE QD 3.500 . 4.900 4.055 2.939 4.521 . 0 0 "[ . 1 . 2]" 1
1218 1 146 LEU HB3 1 147 ALA H 2.900 . 4.000 3.190 2.664 3.831 . 0 0 "[ . 1 . 2]" 1
1219 1 146 LEU HB2 1 146 LEU QD 2.800 . 3.900 2.143 2.041 2.344 . 0 0 "[ . 1 . 2]" 1
1220 1 146 LEU QD 1 147 ALA H 3.000 . 4.200 3.942 3.579 4.146 . 0 0 "[ . 1 . 2]" 1
1221 1 147 ALA H 1 147 ALA MB 2.500 . 3.500 2.179 2.052 2.262 . 0 0 "[ . 1 . 2]" 1
1222 1 147 ALA HA 1 150 LEU HB2 2.800 . 4.000 2.783 2.387 3.713 . 0 0 "[ . 1 . 2]" 1
1223 1 147 ALA HA 1 150 LEU MD2 3.100 . 4.300 3.481 2.594 4.539 0.239 7 0 "[ . 1 . 2]" 1
1224 1 147 ALA MB 1 148 SER H 3.000 . 4.200 2.665 2.520 2.818 . 0 0 "[ . 1 . 2]" 1
1225 1 148 SER H 1 148 SER HA 2.600 . 3.700 2.880 2.861 2.896 . 0 0 "[ . 1 . 2]" 1
1226 1 148 SER H 1 148 SER QB 2.800 . 3.900 2.441 2.271 2.567 . 0 0 "[ . 1 . 2]" 1
1227 1 148 SER H 1 149 PHE H 2.700 . 3.800 2.642 2.603 2.725 . 0 0 "[ . 1 . 2]" 1
1228 1 148 SER H 1 150 LEU H 3.000 . 4.200 4.060 3.820 4.248 0.048 19 0 "[ . 1 . 2]" 1
1229 1 148 SER HA 1 148 SER QB 2.200 . 3.100 2.352 2.196 2.404 . 0 0 "[ . 1 . 2]" 1
1230 1 148 SER HA 1 149 PHE H 2.800 . 3.900 3.565 3.545 3.579 . 0 0 "[ . 1 . 2]" 1
1231 1 148 SER HA 1 150 LEU H 3.100 . 4.300 4.342 4.180 4.456 0.156 4 0 "[ . 1 . 2]" 1
1232 1 148 SER HA 1 151 HIS H 2.600 . 3.600 3.363 3.243 3.471 . 0 0 "[ . 1 . 2]" 1
1233 1 148 SER HA 1 151 HIS QB 2.400 . 3.500 2.737 2.301 3.207 . 0 0 "[ . 1 . 2]" 1
1234 1 149 PHE H 1 149 PHE HA 2.600 . 3.600 2.872 2.855 2.896 . 0 0 "[ . 1 . 2]" 1
1235 1 149 PHE H 1 149 PHE HB3 2.800 . 3.900 3.559 3.532 3.608 . 0 0 "[ . 1 . 2]" 1
1236 1 149 PHE H 1 149 PHE QB 2.600 . 3.600 2.234 2.191 2.341 . 0 0 "[ . 1 . 2]" 1
1237 1 149 PHE H 1 149 PHE HB2 2.500 . 3.500 2.258 2.213 2.372 . 0 0 "[ . 1 . 2]" 1
1238 1 149 PHE H 1 149 PHE QD 3.200 . 4.500 2.272 1.796 2.439 0.004 3 0 "[ . 1 . 2]" 1
1239 1 149 PHE H 1 150 LEU H 2.400 . 3.400 2.624 2.498 2.706 . 0 0 "[ . 1 . 2]" 1
1240 1 149 PHE HA 1 149 PHE HB3 2.300 . 3.200 2.641 2.575 2.670 . 0 0 "[ . 1 . 2]" 1
1241 1 149 PHE HA 1 149 PHE HB2 2.400 . 3.400 3.002 2.988 3.021 . 0 0 "[ . 1 . 2]" 1
1242 1 149 PHE HA 1 149 PHE QD 3.300 . 4.700 2.457 2.328 3.045 . 0 0 "[ . 1 . 2]" 1
1243 1 149 PHE HA 1 150 LEU H 2.600 . 3.700 3.550 3.511 3.572 . 0 0 "[ . 1 . 2]" 1
1244 1 149 PHE HA 1 151 HIS H 2.800 . 3.900 4.211 4.105 4.304 0.404 3 0 "[ . 1 . 2]" 1
1245 1 149 PHE HA 1 153 ASN H 3.200 . 4.500 4.520 4.269 4.621 0.121 17 0 "[ . 1 . 2]" 1
1246 1 149 PHE HA 1 153 ASN HD21 3.700 . 5.200 4.602 3.595 5.319 0.119 15 0 "[ . 1 . 2]" 1
1247 1 149 PHE HA 1 153 ASN HD22 3.600 . 5.000 4.093 3.013 5.052 0.052 12 0 "[ . 1 . 2]" 1
1248 1 149 PHE HB3 1 149 PHE QD 2.800 . 4.100 2.364 2.315 2.389 . 0 0 "[ . 1 . 2]" 1
1249 1 149 PHE HB3 1 150 LEU H 2.900 . 4.100 3.431 3.291 3.594 . 0 0 "[ . 1 . 2]" 1
1250 1 149 PHE QB 1 150 LEU H 2.700 . 3.800 2.697 2.579 2.861 . 0 0 "[ . 1 . 2]" 1
1251 1 149 PHE HB2 1 149 PHE QD 2.900 . 4.200 2.768 2.618 2.786 . 0 0 "[ . 1 . 2]" 1
1252 1 149 PHE HB2 1 150 LEU H 3.000 . 4.200 2.821 2.694 3.005 . 0 0 "[ . 1 . 2]" 1
1253 1 149 PHE QD 1 150 LEU H 3.000 . 4.200 4.351 4.162 4.432 0.232 6 0 "[ . 1 . 2]" 1
1254 1 150 LEU H 1 150 LEU HA 2.500 . 3.500 2.861 2.838 2.885 . 0 0 "[ . 1 . 2]" 1
1255 1 150 LEU H 1 150 LEU HB3 2.800 . 3.900 3.375 2.106 3.624 . 0 0 "[ . 1 . 2]" 1
1256 1 150 LEU H 1 150 LEU HB2 3.400 . 4.800 2.318 2.141 3.116 . 0 0 "[ . 1 . 2]" 1
1257 1 150 LEU H 1 150 LEU HG 2.800 . 3.900 3.689 2.190 4.436 0.536 15 2 "[ . - 1 + 2]" 1
1258 1 150 LEU H 1 150 LEU MD2 4.400 . 6.100 3.571 1.819 4.299 . 0 0 "[ . 1 . 2]" 1
1259 1 150 LEU H 1 151 HIS H 2.900 . 4.000 2.625 2.541 2.732 . 0 0 "[ . 1 . 2]" 1
1260 1 150 LEU H 1 152 GLY H 3.400 . 4.800 4.284 4.031 4.419 . 0 0 "[ . 1 . 2]" 1
1261 1 150 LEU H 1 157 LEU QD 3.600 . 5.000 4.810 4.507 5.357 0.357 5 0 "[ . 1 . 2]" 1
1262 1 150 LEU HA 1 150 LEU HB2 3.000 . 4.200 2.913 2.269 3.040 . 0 0 "[ . 1 . 2]" 1
1263 1 150 LEU HA 1 150 LEU MD1 2.500 . 3.500 2.691 2.139 3.827 0.327 7 0 "[ . 1 . 2]" 1
1264 1 150 LEU HA 1 150 LEU MD2 3.100 . 4.300 3.176 2.101 3.986 . 0 0 "[ . 1 . 2]" 1
1265 1 150 LEU HA 1 151 HIS H 2.500 . 3.500 3.540 3.531 3.554 0.054 14 0 "[ . 1 . 2]" 1
1266 1 150 LEU HA 1 153 ASN H 2.900 . 4.100 3.632 3.390 3.848 . 0 0 "[ . 1 . 2]" 1
1267 1 150 LEU HA 1 157 LEU MD2 3.000 . 4.400 4.010 2.502 4.636 0.236 2 0 "[ . 1 . 2]" 1
1268 1 150 LEU HB3 1 150 LEU HG 2.500 . 3.500 2.636 2.493 3.034 . 0 0 "[ . 1 . 2]" 1
1269 1 150 LEU HB3 1 150 LEU MD2 2.800 . 4.100 2.423 2.113 3.184 . 0 0 "[ . 1 . 2]" 1
1270 1 150 LEU HB3 1 151 HIS H 3.800 . 5.300 3.313 2.657 3.684 . 0 0 "[ . 1 . 2]" 1
1271 1 150 LEU HB2 1 150 LEU HG 2.500 . 3.500 2.828 2.401 3.035 . 0 0 "[ . 1 . 2]" 1
1272 1 150 LEU HB2 1 150 LEU MD1 2.700 . 3.800 2.452 2.133 3.182 . 0 0 "[ . 1 . 2]" 1
1273 1 150 LEU HB2 1 150 LEU MD2 3.200 . 4.600 2.566 2.354 3.187 . 0 0 "[ . 1 . 2]" 1
1274 1 150 LEU HB2 1 151 HIS H 3.100 . 4.400 2.989 2.648 4.162 . 0 0 "[ . 1 . 2]" 1
1275 1 150 LEU HB2 1 157 LEU QD 4.900 . 6.900 4.167 3.183 4.841 . 0 0 "[ . 1 . 2]" 1
1276 1 150 LEU HG 1 157 LEU QD 5.800 . 8.100 2.985 2.032 4.291 . 0 0 "[ . 1 . 2]" 1
1277 1 150 LEU MD1 1 150 LEU MD2 2.300 . 3.200 2.016 1.887 2.079 . 0 0 "[ . 1 . 2]" 1
1278 1 150 LEU MD2 1 151 HIS H 6.000 . 8.400 4.466 3.411 4.852 . 0 0 "[ . 1 . 2]" 1
1279 1 150 LEU MD2 1 157 LEU QD 5.300 . 7.400 2.886 1.969 3.879 . 0 0 "[ . 1 . 2]" 1
1280 1 151 HIS H 1 151 HIS HA 2.500 . 3.500 2.876 2.846 2.901 . 0 0 "[ . 1 . 2]" 1
1281 1 151 HIS H 1 151 HIS QB 2.800 . 3.900 2.324 2.057 2.481 . 0 0 "[ . 1 . 2]" 1
1282 1 151 HIS H 1 151 HIS HD2 3.200 . 4.500 3.906 2.654 4.844 0.344 10 0 "[ . 1 . 2]" 1
1283 1 151 HIS H 1 152 GLY H 2.800 . 3.900 2.702 2.558 2.860 . 0 0 "[ . 1 . 2]" 1
1284 1 151 HIS H 1 153 ASN H 3.800 . 5.300 3.964 3.756 4.070 . 0 0 "[ . 1 . 2]" 1
1285 1 151 HIS HA 1 151 HIS QB 2.400 . 3.400 2.371 2.177 2.545 . 0 0 "[ . 1 . 2]" 1
1286 1 151 HIS HA 1 151 HIS HD2 3.500 . 5.000 3.575 2.320 4.756 . 0 0 "[ . 1 . 2]" 1
1287 1 151 HIS HA 1 154 ALA H 2.500 . 3.500 3.002 2.816 3.342 . 0 0 "[ . 1 . 2]" 1
1288 1 151 HIS HA 1 154 ALA MB 2.800 . 3.900 2.117 2.020 2.292 . 0 0 "[ . 1 . 2]" 1
1289 1 151 HIS QB 1 151 HIS HD2 3.200 . 4.500 2.940 2.685 3.308 . 0 0 "[ . 1 . 2]" 1
1290 1 151 HIS QB 1 152 GLY H 3.200 . 4.500 2.585 2.383 3.330 . 0 0 "[ . 1 . 2]" 1
1291 1 151 HIS QB 1 154 ALA MB 4.300 . 6.300 3.698 3.362 4.000 . 0 0 "[ . 1 . 2]" 1
1292 1 152 GLY H 1 153 ASN H 3.300 . 4.600 2.676 2.365 2.786 . 0 0 "[ . 1 . 2]" 1
1293 1 152 GLY H 1 154 ALA H 3.600 . 5.100 3.883 3.752 4.001 . 0 0 "[ . 1 . 2]" 1
1294 1 152 GLY QA 1 153 ASN H 3.700 . 5.200 2.850 2.828 2.890 . 0 0 "[ . 1 . 2]" 1
1295 1 153 ASN H 1 153 ASN HB3 3.200 . 4.500 3.554 2.891 3.799 . 0 0 "[ . 1 . 2]" 1
1296 1 153 ASN H 1 153 ASN HB2 3.100 . 4.300 3.142 2.546 3.850 . 0 0 "[ . 1 . 2]" 1
1297 1 153 ASN H 1 153 ASN HD21 3.700 . 5.200 3.149 1.793 4.425 0.007 9 0 "[ . 1 . 2]" 1
1298 1 153 ASN H 1 153 ASN HD22 3.600 . 5.000 3.694 2.913 4.601 . 0 0 "[ . 1 . 2]" 1
1299 1 153 ASN H 1 154 ALA H 3.100 . 4.400 2.132 2.010 2.247 . 0 0 "[ . 1 . 2]" 1
1300 1 153 ASN HA 1 153 ASN HB3 2.900 . 4.100 2.386 2.250 2.603 . 0 0 "[ . 1 . 2]" 1
1301 1 153 ASN HA 1 153 ASN HB2 3.000 . 4.300 2.833 2.359 3.040 . 0 0 "[ . 1 . 2]" 1
1302 1 153 ASN HA 1 154 ALA H 5.100 . 7.300 3.256 3.191 3.315 . 0 0 "[ . 1 . 2]" 1
1303 1 153 ASN HA 1 156 LEU H 3.400 . 4.700 3.406 3.021 3.590 . 0 0 "[ . 1 . 2]" 1
1304 1 153 ASN HA 1 157 LEU MD1 4.100 . 5.700 5.181 4.710 5.737 0.037 3 0 "[ . 1 . 2]" 1
1305 1 153 ASN HA 1 157 LEU QD 4.100 . 5.700 4.635 4.165 4.980 . 0 0 "[ . 1 . 2]" 1
1306 1 153 ASN HB3 1 153 ASN HD22 3.600 . 5.100 3.820 3.508 4.121 . 0 0 "[ . 1 . 2]" 1
1307 1 153 ASN HB3 1 154 ALA H 3.200 . 4.500 4.460 4.241 4.609 0.109 6 0 "[ . 1 . 2]" 1
1308 1 153 ASN HB3 1 157 LEU QD 4.300 . 6.000 3.697 2.547 4.347 . 0 0 "[ . 1 . 2]" 1
1309 1 153 ASN HB3 1 157 LEU MD2 3.800 . 5.300 4.153 2.642 4.964 . 0 0 "[ . 1 . 2]" 1
1310 1 153 ASN HB2 1 153 ASN HD22 3.800 . 5.400 3.756 3.509 4.120 . 0 0 "[ . 1 . 2]" 1
1311 1 153 ASN HB2 1 154 ALA H 3.400 . 4.800 3.860 3.452 4.509 . 0 0 "[ . 1 . 2]" 1
1312 1 153 ASN HB2 1 157 LEU MD2 4.500 . 6.300 3.297 2.896 4.088 . 0 0 "[ . 1 . 2]" 1
1313 1 154 ALA H 1 154 ALA MB 3.200 . 4.500 2.147 2.059 2.215 . 0 0 "[ . 1 . 2]" 1
1314 1 154 ALA H 1 157 LEU QD 4.500 . 6.300 3.999 3.538 4.561 . 0 0 "[ . 1 . 2]" 1
1315 1 154 ALA HA 1 158 PHE H 2.600 . 3.700 3.786 3.403 4.006 0.306 12 0 "[ . 1 . 2]" 1
1316 1 154 ALA HA 1 158 PHE QD 3.100 . 4.500 2.887 2.239 3.569 . 0 0 "[ . 1 . 2]" 1
1317 1 154 ALA HA 1 158 PHE QE 3.100 . 4.300 2.644 2.302 3.085 . 0 0 "[ . 1 . 2]" 1
1318 1 154 ALA MB 1 157 LEU MD2 4.000 . 5.600 4.927 4.012 5.709 0.109 11 0 "[ . 1 . 2]" 1
1319 1 154 ALA MB 1 158 PHE QB 4.500 . 6.000 4.349 3.819 4.687 . 0 0 "[ . 1 . 2]" 1
1320 1 154 ALA MB 1 158 PHE QD 3.500 . 4.900 2.762 2.281 3.423 . 0 0 "[ . 1 . 2]" 1
1321 1 154 ALA MB 1 158 PHE QE 3.600 . 5.200 2.521 2.066 3.640 . 0 0 "[ . 1 . 2]" 1
1322 1 154 ALA MB 1 158 PHE HZ 3.800 . 5.300 4.528 3.978 5.394 0.094 11 0 "[ . 1 . 2]" 1
1323 1 156 LEU H 1 156 LEU HA 2.800 . 3.900 2.955 2.942 2.979 . 0 0 "[ . 1 . 2]" 1
1324 1 156 LEU H 1 156 LEU HB3 3.100 . 4.300 3.502 2.615 3.722 . 0 0 "[ . 1 . 2]" 1
1325 1 156 LEU H 1 156 LEU QB 2.100 . 3.000 2.361 2.132 2.506 . 0 0 "[ . 1 . 2]" 1
1326 1 156 LEU H 1 156 LEU HB2 3.100 . 4.300 2.419 2.156 2.655 . 0 0 "[ . 1 . 2]" 1
1327 1 156 LEU H 1 156 LEU HG 5.300 . 7.400 3.416 2.235 4.548 . 0 0 "[ . 1 . 2]" 1
1328 1 156 LEU H 1 156 LEU QD 3.000 . 4.200 2.770 1.787 3.782 0.013 17 0 "[ . 1 . 2]" 1
1329 1 156 LEU H 1 157 LEU H 2.400 . 3.500 2.368 2.140 2.483 . 0 0 "[ . 1 . 2]" 1
1330 1 156 LEU H 1 158 PHE H 3.000 . 4.200 3.949 3.700 4.193 . 0 0 "[ . 1 . 2]" 1
1331 1 156 LEU HA 1 156 LEU HB3 2.500 . 3.500 2.611 2.439 3.025 . 0 0 "[ . 1 . 2]" 1
1332 1 156 LEU HA 1 156 LEU HB2 2.500 . 3.500 2.958 2.515 3.034 . 0 0 "[ . 1 . 2]" 1
1333 1 156 LEU HA 1 156 LEU HG 2.000 . 2.800 2.703 2.297 3.513 0.713 10 2 "[ . - + . 2]" 1
1334 1 156 LEU HA 1 156 LEU QD 2.600 . 3.700 2.292 1.903 3.018 . 0 0 "[ . 1 . 2]" 1
1335 1 156 LEU HA 1 157 LEU H 3.000 . 4.200 3.536 3.387 3.602 . 0 0 "[ . 1 . 2]" 1
1336 1 156 LEU HA 1 158 PHE H 2.600 . 3.600 3.949 3.790 4.078 0.478 4 0 "[ . 1 . 2]" 1
1337 1 156 LEU HB3 1 156 LEU QD 2.700 . 3.800 2.144 2.010 2.296 . 0 0 "[ . 1 . 2]" 1
1338 1 156 LEU HB3 1 157 LEU H 3.200 . 4.500 3.564 2.610 4.137 . 0 0 "[ . 1 . 2]" 1
1339 1 156 LEU HB2 1 156 LEU QD 2.800 . 3.900 2.157 2.021 2.321 . 0 0 "[ . 1 . 2]" 1
1340 1 156 LEU HB2 1 157 LEU H 3.200 . 4.500 2.996 2.487 4.169 . 0 0 "[ . 1 . 2]" 1
1341 1 156 LEU QD 1 157 LEU H 3.300 . 4.600 3.945 3.462 4.371 . 0 0 "[ . 1 . 2]" 1
1342 1 157 LEU H 1 157 LEU HA 2.400 . 3.400 2.846 2.808 2.910 . 0 0 "[ . 1 . 2]" 1
1343 1 157 LEU H 1 157 LEU HB3 3.100 . 4.300 3.296 2.463 3.648 . 0 0 "[ . 1 . 2]" 1
1344 1 157 LEU H 1 157 LEU HB2 3.000 . 4.200 2.655 2.561 2.724 . 0 0 "[ . 1 . 2]" 1
1345 1 157 LEU H 1 157 LEU HG 3.100 . 4.300 2.678 1.828 4.494 0.194 13 0 "[ . 1 . 2]" 1
1346 1 157 LEU H 1 157 LEU MD1 3.900 . 5.400 3.706 3.522 4.078 . 0 0 "[ . 1 . 2]" 1
1347 1 157 LEU H 1 157 LEU QD 3.100 . 4.300 3.018 2.457 3.736 . 0 0 "[ . 1 . 2]" 1
1348 1 157 LEU H 1 157 LEU MD2 3.400 . 4.800 3.277 2.499 4.342 . 0 0 "[ . 1 . 2]" 1
1349 1 157 LEU H 1 158 PHE H 2.800 . 3.900 2.668 2.462 2.792 . 0 0 "[ . 1 . 2]" 1
1350 1 157 LEU HA 1 157 LEU HB3 2.800 . 4.000 2.615 2.411 3.038 . 0 0 "[ . 1 . 2]" 1
1351 1 157 LEU HA 1 157 LEU HB2 3.000 . 4.200 2.863 2.441 3.036 . 0 0 "[ . 1 . 2]" 1
1352 1 157 LEU HA 1 158 PHE H 2.200 . 3.100 3.520 3.494 3.547 0.447 4 0 "[ . 1 . 2]" 1
1353 1 157 LEU HB3 1 158 PHE H 4.200 . 5.900 3.602 2.821 4.032 . 0 0 "[ . 1 . 2]" 1
1354 1 157 LEU HB3 1 158 PHE QE 3.500 . 4.900 3.436 2.623 4.238 . 0 0 "[ . 1 . 2]" 1
1355 1 157 LEU HB2 1 158 PHE H 4.000 . 5.600 3.156 2.693 4.088 . 0 0 "[ . 1 . 2]" 1
1356 1 157 LEU HB2 1 158 PHE QE 3.700 . 5.200 3.396 2.413 4.470 . 0 0 "[ . 1 . 2]" 1
1357 1 157 LEU HG 1 158 PHE H 2.900 . 4.000 4.058 3.807 4.187 0.187 4 0 "[ . 1 . 2]" 1
1358 1 157 LEU MD1 1 157 LEU MD2 2.900 . 4.000 2.011 1.928 2.074 . 0 0 "[ . 1 . 2]" 1
1359 1 157 LEU MD1 1 158 PHE H 5.800 . 8.100 4.599 4.362 4.811 . 0 0 "[ . 1 . 2]" 1
1360 1 157 LEU MD2 1 158 PHE H 4.500 . 6.300 4.556 4.325 4.739 . 0 0 "[ . 1 . 2]" 1
1361 1 158 PHE H 1 158 PHE QB 2.700 . 3.800 2.699 2.479 2.790 . 0 0 "[ . 1 . 2]" 1
1362 1 158 PHE H 1 158 PHE QD 3.600 . 5.000 2.770 2.302 2.948 . 0 0 "[ . 1 . 2]" 1
1363 1 158 PHE H 1 158 PHE QE 2.900 . 4.100 4.417 4.324 4.601 0.501 13 1 "[ . 1 + . 2]" 1
1364 1 158 PHE H 1 159 ARG H 2.300 . 3.200 2.759 2.385 3.488 0.288 11 0 "[ . 1 . 2]" 1
1365 1 158 PHE HA 1 158 PHE QD 3.300 . 4.700 2.708 2.433 3.051 . 0 0 "[ . 1 . 2]" 1
1366 1 158 PHE HA 1 158 PHE QE 3.300 . 4.600 4.649 4.505 4.725 0.125 6 0 "[ . 1 . 2]" 1
1367 1 158 PHE HA 1 159 ARG H 3.000 . 4.200 3.547 3.365 3.600 . 0 0 "[ . 1 . 2]" 1
1368 1 158 PHE QB 1 158 PHE QE 3.600 . 3.900 3.962 3.951 3.972 0.072 16 0 "[ . 1 . 2]" 1
1369 1 158 PHE QB 1 159 ARG H 2.200 . 3.100 1.779 1.584 2.039 0.216 18 0 "[ . 1 . 2]" 1
1370 1 158 PHE QD 1 159 ARG H 3.300 . 4.700 3.429 3.161 3.820 . 0 0 "[ . 1 . 2]" 1
1371 1 158 PHE QE 1 159 ARG H 3.800 . 5.300 5.613 5.386 5.849 0.549 11 3 "[ *-. 1+ . 2]" 1
1372 1 159 ARG H 1 159 ARG HA 2.700 . 3.800 2.699 2.344 2.978 . 0 0 "[ . 1 . 2]" 1
1373 1 159 ARG H 1 159 ARG HB3 2.800 . 3.900 3.498 2.660 3.924 0.024 17 0 "[ . 1 . 2]" 1
1374 1 159 ARG H 1 159 ARG QB 2.200 . 3.100 2.792 2.132 3.101 0.001 19 0 "[ . 1 . 2]" 1
1375 1 159 ARG H 1 159 ARG HB2 2.800 . 3.900 3.017 2.163 3.495 . 0 0 "[ . 1 . 2]" 1
1376 1 159 ARG H 1 159 ARG QG 3.200 . 4.500 3.817 2.284 4.325 . 0 0 "[ . 1 . 2]" 1
1377 1 159 ARG H 1 159 ARG QD 4.400 . 6.200 4.789 3.849 5.519 . 0 0 "[ . 1 . 2]" 1
1378 1 159 ARG H 1 160 ARG H 2.600 . 3.600 3.418 2.676 3.996 0.396 16 0 "[ . 1 . 2]" 1
1379 1 159 ARG HA 1 159 ARG QB 2.600 . 3.600 2.444 2.383 2.525 . 0 0 "[ . 1 . 2]" 1
1380 1 159 ARG HA 1 159 ARG HB3 2.200 . 3.100 2.907 2.498 3.034 . 0 0 "[ . 1 . 2]" 1
1381 1 159 ARG HA 1 159 ARG HB2 2.100 . 2.900 2.693 2.491 3.040 0.140 16 0 "[ . 1 . 2]" 1
1382 1 159 ARG HA 1 159 ARG QG 2.500 . 3.500 2.318 2.182 2.844 . 0 0 "[ . 1 . 2]" 1
1383 1 159 ARG HA 1 159 ARG QD 3.500 . 4.900 3.669 2.101 4.189 . 0 0 "[ . 1 . 2]" 1
1384 1 159 ARG HA 1 160 ARG H 3.300 . 4.600 2.795 2.199 3.577 . 0 0 "[ . 1 . 2]" 1
1385 1 159 ARG HB3 1 159 ARG QG 1.900 . 2.700 2.362 2.180 2.407 . 0 0 "[ . 1 . 2]" 1
1386 1 159 ARG HB3 1 159 ARG QD 2.900 . 4.100 2.551 2.337 3.299 . 0 0 "[ . 1 . 2]" 1
1387 1 159 ARG HB2 1 159 ARG QG 1.800 . 2.500 2.347 2.200 2.486 . 0 0 "[ . 1 . 2]" 1
1388 1 159 ARG HB2 1 159 ARG QD 2.900 . 4.000 2.645 2.206 3.309 . 0 0 "[ . 1 . 2]" 1
1389 1 159 ARG QD 1 159 ARG QG 2.300 . 3.300 2.071 2.018 2.111 . 0 0 "[ . 1 . 2]" 1
1390 1 160 ARG HA 1 160 ARG HB3 2.700 . 3.800 2.772 2.250 3.035 . 0 0 "[ . 1 . 2]" 1
1391 1 160 ARG HA 1 160 ARG HB2 2.600 . 3.700 2.738 2.463 3.036 . 0 0 "[ . 1 . 2]" 1
1392 1 160 ARG HA 1 160 ARG QD 3.300 . 4.600 3.683 2.125 4.499 . 0 0 "[ . 1 . 2]" 1
1393 1 160 ARG HB3 1 160 ARG QD 2.500 . 3.500 2.531 2.205 3.297 . 0 0 "[ . 1 . 2]" 1
1394 1 160 ARG HB2 1 160 ARG QD 2.600 . 3.600 2.592 2.212 3.303 . 0 0 "[ . 1 . 2]" 1
1395 1 161 THR HA 1 161 THR HB 2.200 . 3.200 2.477 2.311 3.034 . 0 0 "[ . 1 . 2]" 1
1396 1 161 THR HA 1 161 THR MG 2.700 . 3.800 2.627 2.261 3.191 . 0 0 "[ . 1 . 2]" 1
1397 1 162 LYS HA 1 162 LYS HB3 2.800 . 3.900 2.733 2.478 3.033 . 0 0 "[ . 1 . 2]" 1
1398 1 162 LYS HA 1 162 LYS HB2 2.400 . 3.400 2.816 2.502 3.036 . 0 0 "[ . 1 . 2]" 1
1399 1 162 LYS HA 1 162 LYS QG 3.500 . 4.900 2.345 2.228 2.524 . 0 0 "[ . 1 . 2]" 1
1400 1 162 LYS HA 1 163 ALA H 2.500 . 3.500 2.751 2.208 3.540 0.040 5 0 "[ . 1 . 2]" 1
1401 1 162 LYS QB 1 163 ALA H 3.200 . 4.500 3.064 1.738 4.026 0.062 6 0 "[ . 1 . 2]" 1
1402 1 162 LYS QD 1 162 LYS QG 2.000 . 2.800 2.093 2.026 2.109 . 0 0 "[ . 1 . 2]" 1
1403 1 162 LYS QE 1 162 LYS QG 2.500 . 3.500 2.203 2.105 2.342 . 0 0 "[ . 1 . 2]" 1
1404 1 162 LYS QD 1 162 LYS QE 2.300 . 3.200 2.061 2.018 2.107 . 0 0 "[ . 1 . 2]" 1
1405 1 163 ALA H 1 163 ALA MB 3.100 . 4.300 2.535 2.044 2.925 . 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 6
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 1.381
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0045
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0345
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.069 0.036 6 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PHE 0.069 0.036 6 0 "[ . 1 . 2]"
1 149 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 HIS 0.069 0.036 6 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 16 LEU MD1 1 74 PHE QB 3.000 . 6.000 3.538 2.183 6.036 0.036 6 0 "[ . 1 . 2]" 2
2 1 16 LEU MD2 1 74 PHE QB 3.000 . 6.000 4.083 1.978 6.033 0.033 3 0 "[ . 1 . 2]" 2
3 1 12 ALA HA 1 74 PHE QR 3.000 . 6.000 4.127 2.398 5.240 . 0 0 "[ . 1 . 2]" 2
4 1 12 ALA MB 1 74 PHE QR 3.000 . 6.000 4.624 3.001 5.732 . 0 0 "[ . 1 . 2]" 2
5 1 26 THR HA 1 63 ALA MB 3.000 . 6.000 4.087 3.446 4.588 . 0 0 "[ . 1 . 2]" 2
6 1 26 THR MG 1 63 ALA MB 3.000 . 6.000 2.137 1.860 2.422 . 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 176
_Distance_constraint_stats_list.Viol_count 495
_Distance_constraint_stats_list.Viol_total 708.871
_Distance_constraint_stats_list.Viol_max 0.386
_Distance_constraint_stats_list.Viol_rms 0.0326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0716
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 LEU 0.093 0.058 12 0 "[ . 1 . 2]"
1 10 GLU 0.263 0.160 15 0 "[ . 1 . 2]"
1 11 VAL 0.070 0.029 5 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.244 0.077 16 0 "[ . 1 . 2]"
1 14 GLU 0.775 0.160 15 0 "[ . 1 . 2]"
1 15 THR 1.982 0.194 9 0 "[ . 1 . 2]"
1 16 LEU 0.110 0.106 20 0 "[ . 1 . 2]"
1 17 ALA 1.099 0.143 16 0 "[ . 1 . 2]"
1 18 ARG 0.627 0.126 20 0 "[ . 1 . 2]"
1 19 LEU 1.913 0.194 9 0 "[ . 1 . 2]"
1 20 GLN 0.110 0.106 20 0 "[ . 1 . 2]"
1 21 GLN 0.951 0.143 16 0 "[ . 1 . 2]"
1 22 GLY 0.115 0.084 8 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 SER 0.212 0.115 13 0 "[ . 1 . 2]"
1 25 THR 2.578 0.204 15 0 "[ . 1 . 2]"
1 26 THR 0.471 0.077 15 0 "[ . 1 . 2]"
1 27 VAL 0.008 0.008 1 0 "[ . 1 . 2]"
1 28 ALA 0.779 0.115 13 0 "[ . 1 . 2]"
1 29 HIS 2.657 0.204 15 0 "[ . 1 . 2]"
1 30 LEU 0.719 0.077 15 0 "[ . 1 . 2]"
1 31 LEU 0.008 0.008 1 0 "[ . 1 . 2]"
1 32 ASP 0.568 0.109 16 0 "[ . 1 . 2]"
1 33 LEU 0.084 0.082 10 0 "[ . 1 . 2]"
1 34 VAL 0.248 0.076 11 0 "[ . 1 . 2]"
1 54 VAL 0.585 0.137 8 0 "[ . 1 . 2]"
1 55 GLN 0.103 0.061 4 0 "[ . 1 . 2]"
1 56 ASP 0.157 0.084 3 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.585 0.137 8 0 "[ . 1 . 2]"
1 59 ALA 0.107 0.061 4 0 "[ . 1 . 2]"
1 60 ALA 0.493 0.084 3 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ALA 0.023 0.023 20 0 "[ . 1 . 2]"
1 63 ALA 0.148 0.085 20 0 "[ . 1 . 2]"
1 64 VAL 0.614 0.087 5 0 "[ . 1 . 2]"
1 65 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 1.467 0.244 17 0 "[ . 1 . 2]"
1 67 ALA 3.608 0.386 17 0 "[ . 1 . 2]"
1 68 VAL 0.373 0.095 17 0 "[ . 1 . 2]"
1 69 HIS 0.085 0.085 8 0 "[ . 1 . 2]"
1 70 GLU 1.610 0.244 17 0 "[ . 1 . 2]"
1 71 LEU 3.551 0.386 17 0 "[ . 1 . 2]"
1 72 LEU 0.095 0.095 17 0 "[ . 1 . 2]"
1 73 GLU 0.167 0.085 8 0 "[ . 1 . 2]"
1 74 PHE 0.537 0.099 7 0 "[ . 1 . 2]"
1 75 ALA 0.293 0.073 8 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.082 0.082 16 0 "[ . 1 . 2]"
1 78 ALA 0.371 0.099 7 0 "[ . 1 . 2]"
1 79 VAL 0.206 0.071 12 0 "[ . 1 . 2]"
1 89 THR 0.222 0.110 3 0 "[ . 1 . 2]"
1 90 LEU 0.365 0.096 19 0 "[ . 1 . 2]"
1 91 HIS 0.829 0.127 4 0 "[ . 1 . 2]"
1 92 ALA 0.034 0.034 5 0 "[ . 1 . 2]"
1 93 LYS 0.250 0.110 3 0 "[ . 1 . 2]"
1 94 LEU 0.365 0.096 19 0 "[ . 1 . 2]"
1 95 SER 0.829 0.127 4 0 "[ . 1 . 2]"
1 96 ARG 0.470 0.178 7 0 "[ . 1 . 2]"
1 97 GLN 0.136 0.108 16 0 "[ . 1 . 2]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.436 0.178 7 0 "[ . 1 . 2]"
1 101 MET 0.198 0.108 16 0 "[ . 1 . 2]"
1 102 GLU 0.072 0.072 17 0 "[ . 1 . 2]"
1 103 ASP 0.243 0.093 17 0 "[ . 1 . 2]"
1 104 VAL 0.730 0.168 12 0 "[ . 1 . 2]"
1 105 TYR 0.683 0.117 9 0 "[ . 1 . 2]"
1 106 GLN 0.409 0.120 6 0 "[ . 1 . 2]"
1 107 THR 0.243 0.093 17 0 "[ . 1 . 2]"
1 108 LEU 0.956 0.168 12 0 "[ . 1 . 2]"
1 109 VAL 2.230 0.136 16 0 "[ . 1 . 2]"
1 110 VAL 0.529 0.120 6 0 "[ . 1 . 2]"
1 111 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLY 0.226 0.081 1 0 "[ . 1 . 2]"
1 113 GLN 1.637 0.136 16 0 "[ . 1 . 2]"
1 114 VAL 0.193 0.079 15 0 "[ . 1 . 2]"
1 126 LEU 0.751 0.106 18 0 "[ . 1 . 2]"
1 127 ASP 0.823 0.137 1 0 "[ . 1 . 2]"
1 128 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 LEU 0.114 0.042 6 0 "[ . 1 . 2]"
1 130 ASP 0.751 0.106 18 0 "[ . 1 . 2]"
1 131 ARG 0.823 0.137 1 0 "[ . 1 . 2]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 VAL 2.337 0.173 12 0 "[ . 1 . 2]"
1 134 ALA 2.522 0.261 1 0 "[ . 1 . 2]"
1 135 CYS 0.178 0.086 14 0 "[ . 1 . 2]"
1 136 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ARG 5.408 0.173 12 0 "[ . 1 . 2]"
1 138 ALA 2.522 0.261 1 0 "[ . 1 . 2]"
1 139 VAL 0.185 0.086 14 0 "[ . 1 . 2]"
1 140 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 GLU 4.153 0.155 16 0 "[ . 1 . 2]"
1 142 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ALA 0.179 0.109 9 0 "[ . 1 . 2]"
1 144 LYS 1.495 0.158 5 0 "[ . 1 . 2]"
1 145 GLN 1.520 0.152 19 0 "[ . 1 . 2]"
1 146 LEU 0.178 0.117 19 0 "[ . 1 . 2]"
1 147 ALA 0.296 0.109 9 0 "[ . 1 . 2]"
1 148 SER 1.536 0.158 5 0 "[ . 1 . 2]"
1 149 PHE 0.553 0.152 19 0 "[ . 1 . 2]"
1 150 LEU 0.178 0.117 19 0 "[ . 1 . 2]"
1 151 HIS 0.124 0.070 5 0 "[ . 1 . 2]"
1 152 GLY 0.041 0.031 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 9 LEU O 1 13 VAL H 2.000 . 2.400 1.792 1.542 2.192 0.058 12 0 "[ . 1 . 2]" 3
2 1 9 LEU O 1 13 VAL N 2.900 2.400 3.400 2.700 2.496 3.071 . 0 0 "[ . 1 . 2]" 3
3 1 10 GLU O 1 14 GLU H 2.000 . 2.400 2.045 1.735 2.560 0.160 15 0 "[ . 1 . 2]" 3
4 1 10 GLU O 1 14 GLU N 2.900 2.400 3.400 2.946 2.668 3.474 0.074 15 0 "[ . 1 . 2]" 3
5 1 11 VAL O 1 15 THR H 2.000 . 2.400 1.673 1.571 1.861 0.029 5 0 "[ . 1 . 2]" 3
6 1 11 VAL O 1 15 THR N 2.900 2.400 3.400 2.641 2.537 2.827 . 0 0 "[ . 1 . 2]" 3
7 1 12 ALA O 1 16 LEU H 2.000 . 2.400 1.964 1.846 2.114 . 0 0 "[ . 1 . 2]" 3
8 1 12 ALA O 1 16 LEU N 2.900 2.400 3.400 2.881 2.762 3.007 . 0 0 "[ . 1 . 2]" 3
9 1 13 VAL O 1 17 ALA H 2.000 . 2.400 2.185 1.879 2.477 0.077 16 0 "[ . 1 . 2]" 3
10 1 13 VAL O 1 17 ALA N 2.900 2.400 3.400 3.057 2.712 3.323 . 0 0 "[ . 1 . 2]" 3
11 1 14 GLU O 1 18 ARG H 2.000 . 2.400 2.169 1.832 2.526 0.126 20 0 "[ . 1 . 2]" 3
12 1 14 GLU O 1 18 ARG N 2.900 2.400 3.400 3.078 2.797 3.376 . 0 0 "[ . 1 . 2]" 3
13 1 15 THR O 1 19 LEU H 2.000 . 2.400 2.339 1.744 2.594 0.194 9 0 "[ . 1 . 2]" 3
14 1 15 THR O 1 19 LEU N 2.900 2.400 3.400 3.222 2.657 3.454 0.054 19 0 "[ . 1 . 2]" 3
15 1 16 LEU O 1 20 GLN H 2.000 . 2.400 2.148 1.738 2.506 0.106 20 0 "[ . 1 . 2]" 3
16 1 16 LEU O 1 20 GLN N 2.900 2.400 3.400 3.064 2.662 3.404 0.004 20 0 "[ . 1 . 2]" 3
17 1 17 ALA O 1 21 GLN H 2.000 . 2.400 2.408 2.105 2.543 0.143 16 0 "[ . 1 . 2]" 3
18 1 17 ALA O 1 21 GLN N 2.900 2.400 3.400 3.276 2.966 3.420 0.020 16 0 "[ . 1 . 2]" 3
19 1 18 ARG O 1 22 GLY H 2.000 . 2.400 2.084 1.734 2.484 0.084 8 0 "[ . 1 . 2]" 3
20 1 18 ARG O 1 22 GLY N 2.900 2.400 3.400 3.047 2.707 3.431 0.031 8 0 "[ . 1 . 2]" 3
21 1 19 LEU O 1 23 VAL H 2.000 . 2.400 1.846 1.622 2.256 . 0 0 "[ . 1 . 2]" 3
22 1 19 LEU O 1 23 VAL N 2.900 2.400 3.400 2.730 2.505 3.139 . 0 0 "[ . 1 . 2]" 3
23 1 20 GLN O 1 24 SER H 2.000 . 2.400 2.162 1.934 2.336 . 0 0 "[ . 1 . 2]" 3
24 1 20 GLN O 1 24 SER N 2.900 2.400 3.400 3.106 2.853 3.297 . 0 0 "[ . 1 . 2]" 3
25 1 21 GLN O 1 25 THR H 2.000 . 2.400 1.687 1.596 1.789 0.004 13 0 "[ . 1 . 2]" 3
26 1 21 GLN O 1 25 THR N 2.900 2.400 3.400 2.603 2.522 2.705 . 0 0 "[ . 1 . 2]" 3
27 1 22 GLY O 1 26 THR H 2.000 . 2.400 2.002 1.872 2.092 . 0 0 "[ . 1 . 2]" 3
28 1 22 GLY O 1 26 THR N 2.900 2.400 3.400 2.910 2.739 2.996 . 0 0 "[ . 1 . 2]" 3
29 1 23 VAL O 1 27 VAL H 2.000 . 2.400 2.231 1.955 2.352 . 0 0 "[ . 1 . 2]" 3
30 1 23 VAL O 1 27 VAL N 2.900 2.400 3.400 3.126 2.927 3.232 . 0 0 "[ . 1 . 2]" 3
31 1 24 SER O 1 28 ALA H 2.000 . 2.400 2.257 1.901 2.515 0.115 13 0 "[ . 1 . 2]" 3
32 1 24 SER O 1 28 ALA N 2.900 2.400 3.400 3.160 2.836 3.407 0.007 13 0 "[ . 1 . 2]" 3
33 1 25 THR O 1 29 HIS H 2.000 . 2.400 2.489 2.228 2.604 0.204 15 0 "[ . 1 . 2]" 3
34 1 25 THR O 1 29 HIS N 2.900 2.400 3.400 3.399 3.141 3.504 0.104 13 0 "[ . 1 . 2]" 3
35 1 26 THR O 1 30 LEU H 2.000 . 2.400 2.343 2.120 2.477 0.077 15 0 "[ . 1 . 2]" 3
36 1 26 THR O 1 30 LEU N 2.900 2.400 3.400 3.292 3.057 3.425 0.025 17 0 "[ . 1 . 2]" 3
37 1 27 VAL O 1 31 LEU H 2.000 . 2.400 2.111 1.982 2.408 0.008 1 0 "[ . 1 . 2]" 3
38 1 27 VAL O 1 31 LEU N 2.900 2.400 3.400 3.081 2.959 3.353 . 0 0 "[ . 1 . 2]" 3
39 1 28 ALA O 1 32 ASP H 2.000 . 2.400 1.651 1.491 2.006 0.109 16 0 "[ . 1 . 2]" 3
40 1 28 ALA O 1 32 ASP N 2.900 2.400 3.400 2.542 2.414 2.869 . 0 0 "[ . 1 . 2]" 3
41 1 29 HIS O 1 33 LEU H 2.000 . 2.400 1.784 1.518 2.039 0.082 10 0 "[ . 1 . 2]" 3
42 1 29 HIS O 1 33 LEU N 2.900 2.400 3.400 2.710 2.453 2.924 . 0 0 "[ . 1 . 2]" 3
43 1 30 LEU O 1 34 VAL H 2.000 . 2.400 2.191 1.792 2.476 0.076 11 0 "[ . 1 . 2]" 3
44 1 30 LEU O 1 34 VAL N 2.900 2.400 3.400 3.111 2.734 3.413 0.013 11 0 "[ . 1 . 2]" 3
45 1 54 VAL O 1 58 LYS H 2.000 . 2.400 1.735 1.463 2.354 0.137 8 0 "[ . 1 . 2]" 3
46 1 54 VAL O 1 58 LYS N 2.900 2.400 3.400 2.685 2.403 3.262 . 0 0 "[ . 1 . 2]" 3
47 1 55 GLN O 1 59 ALA H 2.000 . 2.400 1.949 1.640 2.461 0.061 4 0 "[ . 1 . 2]" 3
48 1 55 GLN O 1 59 ALA N 2.900 2.400 3.400 2.845 2.568 3.372 . 0 0 "[ . 1 . 2]" 3
49 1 56 ASP O 1 60 ALA H 2.000 . 2.400 2.288 1.965 2.484 0.084 3 0 "[ . 1 . 2]" 3
50 1 56 ASP O 1 60 ALA N 2.900 2.400 3.400 3.170 2.930 3.334 . 0 0 "[ . 1 . 2]" 3
51 1 57 LEU O 1 61 VAL H 2.000 . 2.400 2.113 1.913 2.358 . 0 0 "[ . 1 . 2]" 3
52 1 57 LEU O 1 61 VAL N 2.900 2.400 3.400 3.083 2.877 3.318 . 0 0 "[ . 1 . 2]" 3
53 1 58 LYS O 1 62 ALA H 2.000 . 2.400 2.088 1.936 2.229 . 0 0 "[ . 1 . 2]" 3
54 1 58 LYS O 1 62 ALA N 2.900 2.400 3.400 2.978 2.799 3.124 . 0 0 "[ . 1 . 2]" 3
55 1 59 ALA O 1 63 ALA H 2.000 . 2.400 2.202 1.983 2.404 0.004 15 0 "[ . 1 . 2]" 3
56 1 59 ALA O 1 63 ALA N 2.900 2.400 3.400 3.066 2.877 3.243 . 0 0 "[ . 1 . 2]" 3
57 1 60 ALA O 1 64 VAL H 2.000 . 2.400 2.317 1.870 2.473 0.073 18 0 "[ . 1 . 2]" 3
58 1 60 ALA O 1 64 VAL N 2.900 2.400 3.400 3.274 2.847 3.433 0.033 3 0 "[ . 1 . 2]" 3
59 1 61 VAL O 1 65 HIS H 2.000 . 2.400 2.033 1.732 2.241 . 0 0 "[ . 1 . 2]" 3
60 1 61 VAL O 1 65 HIS N 2.900 2.400 3.400 2.986 2.689 3.200 . 0 0 "[ . 1 . 2]" 3
61 1 62 ALA O 1 66 GLY H 2.000 . 2.400 2.056 1.803 2.423 0.023 20 0 "[ . 1 . 2]" 3
62 1 62 ALA O 1 66 GLY N 2.900 2.400 3.400 2.924 2.722 3.240 . 0 0 "[ . 1 . 2]" 3
63 1 63 ALA O 1 67 ALA H 2.000 . 2.400 2.143 1.773 2.485 0.085 20 0 "[ . 1 . 2]" 3
64 1 63 ALA O 1 67 ALA N 2.900 2.400 3.400 3.077 2.743 3.377 . 0 0 "[ . 1 . 2]" 3
65 1 64 VAL O 1 68 VAL H 2.000 . 2.400 2.150 1.713 2.487 0.087 5 0 "[ . 1 . 2]" 3
66 1 64 VAL O 1 68 VAL N 2.900 2.400 3.400 3.065 2.665 3.433 0.033 5 0 "[ . 1 . 2]" 3
67 1 65 HIS O 1 69 HIS H 2.000 . 2.400 2.035 1.834 2.335 . 0 0 "[ . 1 . 2]" 3
68 1 65 HIS O 1 69 HIS N 2.900 2.400 3.400 2.986 2.789 3.255 . 0 0 "[ . 1 . 2]" 3
69 1 66 GLY O 1 70 GLU H 2.000 . 2.400 2.443 2.236 2.644 0.244 17 0 "[ . 1 . 2]" 3
70 1 66 GLY O 1 70 GLU N 2.900 2.400 3.400 3.307 3.106 3.454 0.054 19 0 "[ . 1 . 2]" 3
71 1 67 ALA O 1 71 LEU H 2.000 . 2.400 2.557 2.432 2.786 0.386 17 0 "[ . 1 . 2]" 3
72 1 67 ALA O 1 71 LEU N 2.900 2.400 3.400 3.354 3.213 3.512 0.112 17 0 "[ . 1 . 2]" 3
73 1 68 VAL O 1 72 LEU H 2.000 . 2.400 2.119 1.929 2.495 0.095 17 0 "[ . 1 . 2]" 3
74 1 68 VAL O 1 72 LEU N 2.900 2.400 3.400 3.028 2.859 3.368 . 0 0 "[ . 1 . 2]" 3
75 1 69 HIS O 1 73 GLU H 2.000 . 2.400 1.887 1.515 2.220 0.085 8 0 "[ . 1 . 2]" 3
76 1 69 HIS O 1 73 GLU N 2.900 2.400 3.400 2.823 2.465 3.157 . 0 0 "[ . 1 . 2]" 3
77 1 70 GLU O 1 74 PHE H 2.000 . 2.400 1.785 1.533 2.103 0.067 11 0 "[ . 1 . 2]" 3
78 1 70 GLU O 1 74 PHE N 2.900 2.400 3.400 2.729 2.492 3.043 . 0 0 "[ . 1 . 2]" 3
79 1 71 LEU O 1 75 ALA H 2.000 . 2.400 1.922 1.586 2.473 0.073 8 0 "[ . 1 . 2]" 3
80 1 71 LEU O 1 75 ALA N 2.900 2.400 3.400 2.841 2.502 3.366 . 0 0 "[ . 1 . 2]" 3
81 1 72 LEU O 1 76 ARG H 2.000 . 2.400 2.006 1.872 2.137 . 0 0 "[ . 1 . 2]" 3
82 1 72 LEU O 1 76 ARG N 2.900 2.400 3.400 2.844 2.709 2.960 . 0 0 "[ . 1 . 2]" 3
83 1 73 GLU O 1 77 SER H 2.000 . 2.400 1.881 1.518 2.200 0.082 16 0 "[ . 1 . 2]" 3
84 1 73 GLU O 1 77 SER N 2.900 2.400 3.400 2.783 2.458 3.018 . 0 0 "[ . 1 . 2]" 3
85 1 74 PHE O 1 78 ALA H 2.000 . 2.400 2.283 1.756 2.499 0.099 7 0 "[ . 1 . 2]" 3
86 1 74 PHE O 1 78 ALA N 2.900 2.400 3.400 3.197 2.717 3.389 . 0 0 "[ . 1 . 2]" 3
87 1 75 ALA O 1 79 VAL H 2.000 . 2.400 2.274 1.827 2.471 0.071 12 0 "[ . 1 . 2]" 3
88 1 75 ALA O 1 79 VAL N 2.900 2.400 3.400 3.166 2.749 3.376 . 0 0 "[ . 1 . 2]" 3
89 1 89 THR O 1 93 LYS H 2.000 . 2.400 1.698 1.490 1.936 0.110 3 0 "[ . 1 . 2]" 3
90 1 89 THR O 1 93 LYS N 2.900 2.400 3.400 2.667 2.460 2.891 . 0 0 "[ . 1 . 2]" 3
91 1 90 LEU O 1 94 LEU H 2.000 . 2.400 1.664 1.504 1.853 0.096 19 0 "[ . 1 . 2]" 3
92 1 90 LEU O 1 94 LEU N 2.900 2.400 3.400 2.605 2.427 2.741 . 0 0 "[ . 1 . 2]" 3
93 1 91 HIS O 1 95 SER H 2.000 . 2.400 1.672 1.473 1.974 0.127 4 0 "[ . 1 . 2]" 3
94 1 91 HIS O 1 95 SER N 2.900 2.400 3.400 2.624 2.391 2.931 0.009 8 0 "[ . 1 . 2]" 3
95 1 92 ALA O 1 96 ARG H 2.000 . 2.400 2.047 1.790 2.434 0.034 5 0 "[ . 1 . 2]" 3
96 1 92 ALA O 1 96 ARG N 2.900 2.400 3.400 2.979 2.724 3.365 . 0 0 "[ . 1 . 2]" 3
97 1 93 LYS O 1 97 GLN H 2.000 . 2.400 2.161 1.726 2.428 0.028 8 0 "[ . 1 . 2]" 3
98 1 93 LYS O 1 97 GLN N 2.900 2.400 3.400 3.113 2.674 3.335 . 0 0 "[ . 1 . 2]" 3
99 1 94 LEU O 1 98 LEU H 2.000 . 2.400 1.867 1.699 2.264 . 0 0 "[ . 1 . 2]" 3
100 1 94 LEU O 1 98 LEU N 2.900 2.400 3.400 2.778 2.598 3.117 . 0 0 "[ . 1 . 2]" 3
101 1 95 SER O 1 99 GLN H 2.000 . 2.400 1.934 1.624 2.201 . 0 0 "[ . 1 . 2]" 3
102 1 95 SER O 1 99 GLN N 2.900 2.400 3.400 2.893 2.535 3.174 . 0 0 "[ . 1 . 2]" 3
103 1 96 ARG O 1 100 LYS H 2.000 . 2.400 2.323 2.111 2.578 0.178 7 0 "[ . 1 . 2]" 3
104 1 96 ARG O 1 100 LYS N 2.900 2.400 3.400 3.197 3.003 3.424 0.024 16 0 "[ . 1 . 2]" 3
105 1 97 GLN O 1 101 MET H 2.000 . 2.400 2.182 1.859 2.508 0.108 16 0 "[ . 1 . 2]" 3
106 1 97 GLN O 1 101 MET N 2.900 2.400 3.400 3.021 2.699 3.343 . 0 0 "[ . 1 . 2]" 3
107 1 98 LEU O 1 102 GLU H 2.000 . 2.400 2.055 1.943 2.388 . 0 0 "[ . 1 . 2]" 3
108 1 98 LEU O 1 102 GLU N 2.900 2.400 3.400 2.944 2.842 3.269 . 0 0 "[ . 1 . 2]" 3
109 1 99 GLN O 1 103 ASP H 2.000 . 2.400 1.972 1.718 2.172 . 0 0 "[ . 1 . 2]" 3
110 1 99 GLN O 1 103 ASP N 2.900 2.400 3.400 2.944 2.672 3.140 . 0 0 "[ . 1 . 2]" 3
111 1 100 LYS O 1 104 VAL H 2.000 . 2.400 1.897 1.708 2.363 . 0 0 "[ . 1 . 2]" 3
112 1 100 LYS O 1 104 VAL N 2.900 2.400 3.400 2.827 2.641 3.296 . 0 0 "[ . 1 . 2]" 3
113 1 101 MET O 1 105 TYR H 2.000 . 2.400 1.778 1.561 2.286 0.039 4 0 "[ . 1 . 2]" 3
114 1 101 MET O 1 105 TYR N 2.900 2.400 3.400 2.696 2.474 3.222 . 0 0 "[ . 1 . 2]" 3
115 1 102 GLU O 1 106 GLN H 2.000 . 2.400 2.186 1.783 2.472 0.072 17 0 "[ . 1 . 2]" 3
116 1 102 GLU O 1 106 GLN N 2.900 2.400 3.400 3.106 2.698 3.359 . 0 0 "[ . 1 . 2]" 3
117 1 103 ASP O 1 107 THR H 2.000 . 2.400 2.230 1.850 2.493 0.093 17 0 "[ . 1 . 2]" 3
118 1 103 ASP O 1 107 THR N 2.900 2.400 3.400 3.104 2.802 3.392 . 0 0 "[ . 1 . 2]" 3
119 1 104 VAL O 1 108 LEU H 2.000 . 2.400 2.315 1.860 2.568 0.168 12 0 "[ . 1 . 2]" 3
120 1 104 VAL O 1 108 LEU N 2.900 2.400 3.400 3.232 2.781 3.476 0.076 9 0 "[ . 1 . 2]" 3
121 1 105 TYR O 1 109 VAL H 2.000 . 2.400 2.353 2.082 2.517 0.117 9 0 "[ . 1 . 2]" 3
122 1 105 TYR O 1 109 VAL N 2.900 2.400 3.400 3.252 2.957 3.431 0.031 4 0 "[ . 1 . 2]" 3
123 1 106 GLN O 1 110 VAL H 2.000 . 2.400 2.205 1.833 2.520 0.120 6 0 "[ . 1 . 2]" 3
124 1 106 GLN O 1 110 VAL N 2.900 2.400 3.400 3.153 2.803 3.461 0.061 6 0 "[ . 1 . 2]" 3
125 1 107 THR O 1 111 HIS H 2.000 . 2.400 2.115 1.938 2.281 . 0 0 "[ . 1 . 2]" 3
126 1 107 THR O 1 111 HIS N 2.900 2.400 3.400 3.074 2.901 3.234 . 0 0 "[ . 1 . 2]" 3
127 1 108 LEU O 1 112 GLY H 2.000 . 2.400 1.649 1.519 1.793 0.081 1 0 "[ . 1 . 2]" 3
128 1 108 LEU O 1 112 GLY N 2.900 2.400 3.400 2.541 2.402 2.696 . 0 0 "[ . 1 . 2]" 3
129 1 109 VAL O 1 113 GLN H 2.000 . 2.400 1.518 1.464 1.583 0.136 16 0 "[ . 1 . 2]" 3
130 1 109 VAL O 1 113 GLN N 2.900 2.400 3.400 2.460 2.424 2.546 . 0 0 "[ . 1 . 2]" 3
131 1 110 VAL O 1 114 VAL H 2.000 . 2.400 2.152 1.823 2.479 0.079 15 0 "[ . 1 . 2]" 3
132 1 110 VAL O 1 114 VAL N 2.900 2.400 3.400 2.998 2.701 3.284 . 0 0 "[ . 1 . 2]" 3
133 1 126 LEU O 1 130 ASP H 2.000 . 2.400 2.414 2.079 2.506 0.106 18 0 "[ . 1 . 2]" 3
134 1 126 LEU O 1 130 ASP N 2.900 2.400 3.400 3.280 3.031 3.377 . 0 0 "[ . 1 . 2]" 3
135 1 127 ASP O 1 131 ARG H 2.000 . 2.400 2.413 2.137 2.537 0.137 1 0 "[ . 1 . 2]" 3
136 1 127 ASP O 1 131 ARG N 2.900 2.400 3.400 3.306 3.052 3.434 0.034 1 0 "[ . 1 . 2]" 3
137 1 128 ASP O 1 132 LEU H 2.000 . 2.400 1.895 1.646 2.104 . 0 0 "[ . 1 . 2]" 3
138 1 128 ASP O 1 132 LEU N 2.900 2.400 3.400 2.801 2.546 3.000 . 0 0 "[ . 1 . 2]" 3
139 1 129 LEU O 1 133 VAL H 2.000 . 2.400 1.622 1.558 1.716 0.042 6 0 "[ . 1 . 2]" 3
140 1 129 LEU O 1 133 VAL N 2.900 2.400 3.400 2.590 2.521 2.689 . 0 0 "[ . 1 . 2]" 3
141 1 130 ASP O 1 134 ALA H 2.000 . 2.400 2.203 2.077 2.355 . 0 0 "[ . 1 . 2]" 3
142 1 130 ASP O 1 134 ALA N 2.900 2.400 3.400 2.961 2.819 3.123 . 0 0 "[ . 1 . 2]" 3
143 1 131 ARG O 1 135 CYS H 2.000 . 2.400 2.014 1.826 2.249 . 0 0 "[ . 1 . 2]" 3
144 1 131 ARG O 1 135 CYS N 2.900 2.400 3.400 2.921 2.767 3.117 . 0 0 "[ . 1 . 2]" 3
145 1 132 LEU O 1 136 SER H 2.000 . 2.400 1.824 1.605 2.116 . 0 0 "[ . 1 . 2]" 3
146 1 132 LEU O 1 136 SER N 2.900 2.400 3.400 2.784 2.580 3.063 . 0 0 "[ . 1 . 2]" 3
147 1 133 VAL O 1 137 ARG H 2.000 . 2.400 2.500 2.230 2.573 0.173 12 0 "[ . 1 . 2]" 3
148 1 133 VAL O 1 137 ARG N 2.900 2.400 3.400 3.344 3.036 3.429 0.029 18 0 "[ . 1 . 2]" 3
149 1 134 ALA O 1 138 ALA H 2.000 . 2.400 2.513 2.336 2.661 0.261 1 0 "[ . 1 . 2]" 3
150 1 134 ALA O 1 138 ALA N 2.900 2.400 3.400 3.350 3.247 3.470 0.070 15 0 "[ . 1 . 2]" 3
151 1 135 CYS O 1 139 VAL H 2.000 . 2.400 2.214 1.871 2.486 0.086 14 0 "[ . 1 . 2]" 3
152 1 135 CYS O 1 139 VAL N 2.900 2.400 3.400 3.163 2.849 3.425 0.025 14 0 "[ . 1 . 2]" 3
153 1 137 ARG O 1 141 GLU H 2.000 . 2.400 2.511 2.448 2.555 0.155 16 0 "[ . 1 . 2]" 3
154 1 137 ARG O 1 141 GLU N 2.900 2.400 3.400 3.447 3.379 3.507 0.107 16 0 "[ . 1 . 2]" 3
155 1 138 ALA O 1 142 ASP H 2.000 . 2.400 2.114 1.901 2.385 . 0 0 "[ . 1 . 2]" 3
156 1 138 ALA O 1 142 ASP N 2.900 2.400 3.400 3.039 2.843 3.290 . 0 0 "[ . 1 . 2]" 3
157 1 139 VAL O 1 143 ALA H 2.000 . 2.400 1.852 1.592 2.320 0.008 8 0 "[ . 1 . 2]" 3
158 1 139 VAL O 1 143 ALA N 2.900 2.400 3.400 2.701 2.470 3.107 . 0 0 "[ . 1 . 2]" 3
159 1 140 PRO O 1 144 LYS H 2.000 . 2.400 2.161 2.011 2.316 . 0 0 "[ . 1 . 2]" 3
160 1 140 PRO O 1 144 LYS N 2.900 2.400 3.400 3.093 2.953 3.246 . 0 0 "[ . 1 . 2]" 3
161 1 141 GLU O 1 145 GLN H 2.000 . 2.400 2.395 2.040 2.546 0.146 15 0 "[ . 1 . 2]" 3
162 1 141 GLU O 1 145 GLN N 2.900 2.400 3.400 3.309 3.011 3.441 0.041 15 0 "[ . 1 . 2]" 3
163 1 142 ASP O 1 146 LEU H 2.000 . 2.400 1.889 1.616 2.250 . 0 0 "[ . 1 . 2]" 3
164 1 142 ASP O 1 146 LEU N 2.900 2.400 3.400 2.845 2.584 3.193 . 0 0 "[ . 1 . 2]" 3
165 1 143 ALA O 1 147 ALA H 2.000 . 2.400 2.241 2.002 2.509 0.109 9 0 "[ . 1 . 2]" 3
166 1 143 ALA O 1 147 ALA N 2.900 2.400 3.400 3.100 2.869 3.356 . 0 0 "[ . 1 . 2]" 3
167 1 144 LYS O 1 148 SER H 2.000 . 2.400 2.463 2.210 2.558 0.158 5 0 "[ . 1 . 2]" 3
168 1 144 LYS O 1 148 SER N 2.900 2.400 3.400 3.286 3.063 3.415 0.015 5 0 "[ . 1 . 2]" 3
169 1 145 GLN O 1 149 PHE H 2.000 . 2.400 2.336 2.116 2.552 0.152 19 0 "[ . 1 . 2]" 3
170 1 145 GLN O 1 149 PHE N 2.900 2.400 3.400 3.249 3.062 3.426 0.026 19 0 "[ . 1 . 2]" 3
171 1 146 LEU O 1 150 LEU H 2.000 . 2.400 2.087 1.693 2.517 0.117 19 0 "[ . 1 . 2]" 3
172 1 146 LEU O 1 150 LEU N 2.900 2.400 3.400 3.015 2.613 3.461 0.061 19 0 "[ . 1 . 2]" 3
173 1 147 ALA O 1 151 HIS H 2.000 . 2.400 2.256 2.048 2.470 0.070 5 0 "[ . 1 . 2]" 3
174 1 147 ALA O 1 151 HIS N 2.900 2.400 3.400 3.130 2.887 3.333 . 0 0 "[ . 1 . 2]" 3
175 1 148 SER O 1 152 GLY H 2.000 . 2.400 2.103 1.773 2.431 0.031 16 0 "[ . 1 . 2]" 3
176 1 148 SER O 1 152 GLY N 2.900 2.400 3.400 3.046 2.726 3.345 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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