NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636298 |
6g7g   |
27439 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6g7g
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 1055
_Distance_constraint_stats_list.Viol_count 3905
_Distance_constraint_stats_list.Viol_total 12788.746
_Distance_constraint_stats_list.Viol_max 2.518
_Distance_constraint_stats_list.Viol_rms 0.1068
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0303
_Distance_constraint_stats_list.Viol_average_violations_only 0.1637
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 1.820 0.429 15 0 "[ . 1 . 2]"
1 3 GLY 13.115 0.821 12 4 "[ .* 1 + -. * 2]"
1 4 CYS 16.239 0.821 12 4 "[ .* 1 + -. * 2]"
1 5 LYS 8.040 1.327 11 3 "[ * . -1+ . 2]"
1 6 GLU 15.006 1.350 19 3 "[ . * -1 . +2]"
1 7 ILE 26.205 2.027 17 3 "[ . 1 .*+ -2]"
1 8 GLU 18.188 2.136 16 4 "[ . - 1* .+* 2]"
1 9 ILE 27.831 1.758 18 3 "[ . 1 * . +-2]"
1 10 VAL 23.459 0.937 19 2 "[ - . 1 . +2]"
1 11 ILE 39.372 1.758 18 4 "[ . 1 * - +*2]"
1 12 LYS 39.050 0.937 19 7 "[ .-** 1 * *. *+2]"
1 13 ASN 1.876 1.401 13 1 "[ . 1 + . 2]"
1 14 THR 45.502 1.845 13 19 "[***-********+**** **]"
1 15 LEU 42.068 1.755 17 6 "[ .* * 1 **-. + 2]"
1 16 GLY 2.803 0.467 7 0 "[ . 1 . 2]"
1 17 PRO 4.590 2.484 18 2 "[ . 1 .- + 2]"
1 18 SER 7.773 1.758 18 3 "[ . 1 * . +-2]"
1 19 ARG 14.317 1.677 13 4 "[ . *- 1 *+ . 2]"
1 20 ILE 34.066 1.758 18 5 "[ . * * - +*2]"
1 21 LEU 1.976 0.226 18 0 "[ . 1 . 2]"
1 22 GLN 2.342 0.388 10 0 "[ . 1 . 2]"
1 23 TYR 25.973 1.958 16 2 "[ . 1 -.+ 2]"
1 24 HIS 12.739 1.105 18 3 "[ . 1 * . +-2]"
1 25 CYS 5.295 0.353 6 0 "[ . 1 . 2]"
1 26 ARG 5.160 0.686 20 2 "[ . 1 . -+]"
1 27 SER 4.640 0.686 20 2 "[ . 1 . -+]"
1 28 GLY 4.454 0.799 5 1 "[ + 1 . 2]"
1 29 ASN 6.104 0.977 11 3 "[* - . 1+ . 2]"
1 30 THR 8.019 0.350 4 0 "[ . 1 . 2]"
1 31 ASN 1.038 0.220 8 0 "[ . 1 . 2]"
1 32 VAL 3.553 1.347 18 1 "[ . 1 . + 2]"
1 33 GLY 10.970 0.726 13 2 "[ . 1 + . -2]"
1 34 VAL 13.351 1.105 18 3 "[ . 1 * . +-2]"
1 35 GLN 2.794 0.972 10 2 "[ . + - 2]"
1 36 TYR 22.624 0.972 10 12 "[-* *.** *+ * *** *2]"
1 37 LEU 12.241 0.937 19 2 "[ . 1 - +2]"
1 38 ASN 1.309 0.492 13 0 "[ . 1 . 2]"
1 39 PHE 21.607 2.484 18 3 "[ . 1 * .- + 2]"
1 40 LYS 1.326 0.198 6 0 "[ . 1 . 2]"
1 41 GLY 0.440 0.097 12 0 "[ . 1 . 2]"
1 42 THR 15.406 0.850 12 4 "[ * . *- 1 + . 2]"
1 43 ARG 8.044 1.958 16 2 "[ . 1 -.+ 2]"
1 44 ILE 24.085 0.840 3 1 "[ + . 1 . 2]"
1 45 ILE 39.806 1.347 18 4 "[ .* 1 - .* + 2]"
1 46 LYS 6.125 0.380 19 0 "[ . 1 . 2]"
1 47 PHE 14.512 0.949 17 2 "[ . - 1 . + 2]"
1 48 LYS 19.149 1.350 19 3 "[ . * 1 . * +2]"
1 49 ASP 1.741 0.278 1 0 "[ . 1 . 2]"
1 50 ASP 11.091 0.685 17 4 "[ .* 1 * -. + 2]"
1 51 GLY 8.537 0.685 17 4 "[ .* 1 * -. + 2]"
1 52 THR 4.614 0.301 4 0 "[ . 1 . 2]"
1 53 GLU 2.560 0.261 11 0 "[ . 1 . 2]"
1 54 ARG 3.413 0.447 11 0 "[ . 1 . 2]"
1 55 SER 15.496 0.977 11 8 "[* - ** 1+ **.* 2]"
1 56 ARG 22.495 1.709 15 9 "[* - ** 1* **+* 2]"
1 57 TRP 14.656 1.724 20 3 "[ . 1- * +]"
1 58 ASN 10.577 2.200 11 3 "[ . *1+ .- 2]"
1 59 CYS 4.188 0.541 15 1 "[ . 1 + 2]"
1 60 LEU 3.218 0.180 11 0 "[ . 1 . 2]"
1 61 PHE 41.749 1.206 18 1 "[ . 1 . + 2]"
1 62 ARG 2.827 0.912 11 2 "[ . 1+ . - 2]"
1 63 GLN 0.190 0.061 13 0 "[ . 1 . 2]"
1 64 GLY 0.424 0.110 13 0 "[ . 1 . 2]"
1 65 ILE 10.935 0.457 11 0 "[ . 1 . 2]"
1 68 LYS 0.819 0.173 13 0 "[ . 1 . 2]"
1 69 PHE 5.602 0.688 18 4 "[ **- 1 . + 2]"
1 70 PHE 12.751 0.912 11 3 "[ - . 1+ . * 2]"
1 71 THR 23.866 0.807 3 6 "[ + .* 1 -**.* 2]"
1 72 GLU 13.171 0.807 3 5 "[ + .* 1 -*.* 2]"
1 73 VAL 6.643 0.281 13 0 "[ . 1 . 2]"
1 74 GLU 7.344 0.752 5 3 "[ + 1- .* 2]"
1 75 ALA 19.605 2.010 16 6 "[ . *1 * .+ *-*]"
1 76 TYR 21.622 2.200 11 4 "[ * *1+ .* 2]"
1 77 ARG 0.492 0.492 13 0 "[ . 1 . 2]"
1 78 PRO 4.038 0.381 6 0 "[ . 1 . 2]"
1 79 ASP 14.409 2.518 10 6 "[ * * + *-.* 2]"
1 80 LEU 7.575 0.721 12 2 "[ . 1 + . - 2]"
1 81 LYS 3.413 0.322 16 0 "[ . 1 . 2]"
1 82 HIS 13.505 2.518 10 6 "[ * * + *-.* 2]"
1 83 PRO 1.580 0.429 15 0 "[ . 1 . 2]"
1 84 LEU 3.248 0.301 16 0 "[ . 1 . 2]"
1 85 CYS 11.759 2.027 17 1 "[ . 1 . + 2]"
1 86 GLY 7.761 1.327 11 3 "[ * . -1+ . 2]"
1 87 LYS 6.189 1.933 16 1 "[ . 1 .+ 2]"
1 88 ARG 7.307 2.136 16 2 "[ . 1- .+ 2]"
1 89 TYR 3.393 0.492 13 0 "[ . 1 . 2]"
1 90 GLU 13.222 0.455 11 0 "[ . 1 . 2]"
1 91 LEU 15.181 0.455 11 0 "[ . 1 . 2]"
1 92 SER 18.743 0.751 14 4 "[ .- 1 +. **2]"
1 93 ALA 29.251 1.401 13 2 "[ . 1 + . - 2]"
1 94 ARG 30.311 1.755 17 4 "[ .* 1 * -. + 2]"
1 95 MET 8.258 0.352 18 0 "[ . 1 . 2]"
1 96 ASP 0.250 0.233 17 0 "[ . 1 . 2]"
1 97 ALA 10.947 0.444 18 0 "[ . 1 . 2]"
1 98 ILE 47.374 1.206 18 2 "[ - . 1 . + 2]"
1 99 TYR 6.103 0.631 12 1 "[ . 1 + . 2]"
1 100 PHE 3.388 0.274 14 0 "[ . 1 . 2]"
1 101 LYS 0.210 0.190 12 0 "[ . 1 . 2]"
1 102 MET 1.435 0.379 8 0 "[ . 1 . 2]"
1 103 ASP 14.388 0.807 3 5 "[ + .* 1 -*.* 2]"
1 104 GLU 14.985 0.807 3 5 "[ + .* 1 -*.* 2]"
1 105 ARG 8.743 0.960 20 8 "[-* *** *1 . *+]"
1 107 PRO 1.141 0.631 12 1 "[ . 1 + . 2]"
1 108 GLN 1.203 0.215 8 0 "[ . 1 . 2]"
1 109 PRO 0.769 0.089 13 0 "[ . 1 . 2]"
1 110 LEU 7.450 0.296 14 0 "[ . 1 . 2]"
1 111 ASN 17.304 0.514 12 1 "[ . 1 + . 2]"
1 112 LYS 8.486 0.877 3 1 "[ + . 1 . 2]"
1 113 TRP 5.992 0.441 8 0 "[ . 1 . 2]"
1 114 ARG 3.373 0.349 10 0 "[ . 1 . 2]"
1 115 SER 6.953 0.688 18 4 "[ **- 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 92 SER HA 1 93 ALA H 2.050 . 2.575 2.108 2.038 2.422 . 0 0 "[ . 1 . 2]" 1
2 1 30 THR HA 1 30 THR MG 1.968 . 2.452 2.251 2.082 2.520 0.068 18 0 "[ . 1 . 2]" 1
3 1 30 THR HB 1 30 THR MG 1.915 . 2.373 2.127 2.091 2.135 . 0 0 "[ . 1 . 2]" 1
4 1 42 THR HA 1 42 THR MG 2.030 . 2.534 2.176 2.083 2.229 . 0 0 "[ . 1 . 2]" 1
5 1 42 THR HB 1 42 THR MG 1.822 . 2.237 2.125 2.118 2.129 . 0 0 "[ . 1 . 2]" 1
6 1 71 THR HA 1 71 THR MG 2.325 . 3.001 3.139 2.907 3.182 0.181 11 0 "[ . 1 . 2]" 1
7 1 10 VAL H 1 10 VAL HA 2.603 . 3.450 2.935 2.905 2.978 . 0 0 "[ . 1 . 2]" 1
8 1 10 VAL HA 1 10 VAL QG 2.116 . 2.645 2.536 2.125 2.598 . 0 0 "[ . 1 . 2]" 1
9 1 98 ILE HA 1 98 ILE MD 1.931 . 2.397 2.270 2.062 2.504 0.107 14 0 "[ . 1 . 2]" 1
10 1 93 ALA MB 1 98 ILE MD 2.005 . 2.507 1.863 1.728 2.062 . 0 0 "[ . 1 . 2]" 1
11 1 73 VAL QG 1 98 ILE MD 2.302 . 2.965 2.703 2.417 2.939 . 0 0 "[ . 1 . 2]" 1
12 1 98 ILE MD 1 98 ILE HG12 2.075 . 2.613 2.075 2.024 2.086 . 0 0 "[ . 1 . 2]" 1
13 1 98 ILE MD 1 98 ILE MG 1.801 . 2.207 1.792 1.560 1.930 . 0 0 "[ . 1 . 2]" 1
14 1 71 THR MG 1 98 ILE MD 2.129 . 2.695 2.485 2.246 2.898 0.203 18 0 "[ . 1 . 2]" 1
15 1 61 PHE QE 1 98 ILE MD 2.159 . 2.535 2.252 1.974 2.663 0.128 18 0 "[ . 1 . 2]" 1
16 1 94 ARG H 1 98 ILE MD 2.412 . 3.139 3.342 3.131 3.428 0.289 1 0 "[ . 1 . 2]" 1
17 1 98 ILE MD 1 99 TYR H 2.561 . 3.381 3.586 3.511 3.696 0.315 14 0 "[ . 1 . 2]" 1
18 1 7 ILE MD 1 7 ILE QG 1.973 . 2.402 1.863 1.825 1.888 . 0 0 "[ . 1 . 2]" 1
19 1 5 LYS QB 1 7 ILE MD 2.092 . 2.639 2.669 2.291 2.827 0.188 20 0 "[ . 1 . 2]" 1
20 1 7 ILE MD 1 85 CYS HA 2.428 . 3.165 2.871 1.937 5.192 2.027 17 1 "[ . 1 . + 2]" 1
21 1 7 ILE MD 1 8 GLU H 2.560 . 3.379 3.495 3.252 3.789 0.410 17 0 "[ . 1 . 2]" 1
22 1 9 ILE MD 1 9 ILE MG 1.895 . 2.314 1.738 1.591 2.339 0.025 11 0 "[ . 1 . 2]" 1
23 1 9 ILE MD 1 75 ALA MB 2.052 . 2.578 2.422 1.629 2.711 0.133 4 0 "[ . 1 . 2]" 1
24 1 11 ILE MD 1 11 ILE HG12 1.907 . 2.332 2.097 2.070 2.106 . 0 0 "[ . 1 . 2]" 1
25 1 20 ILE MD 1 20 ILE QG 1.761 . 2.140 1.864 1.827 1.873 . 0 0 "[ . 1 . 2]" 1
26 1 65 ILE HB 1 65 ILE MD 2.230 . 2.851 2.401 2.361 2.488 . 0 0 "[ . 1 . 2]" 1
27 1 20 ILE HA 1 20 ILE MD 2.499 . 3.280 2.761 2.205 3.492 0.212 13 0 "[ . 1 . 2]" 1
28 1 20 ILE MD 1 38 ASN HA 2.431 . 3.170 1.895 1.720 2.465 . 0 0 "[ . 1 . 2]" 1
29 1 25 CYS HB3 1 45 ILE MD 2.414 . 3.143 2.677 1.835 3.343 0.200 12 0 "[ . 1 . 2]" 1
30 1 45 ILE HB 1 45 ILE MD 1.868 . 2.304 2.135 1.899 2.456 0.152 5 0 "[ . 1 . 2]" 1
31 1 9 ILE QG 1 45 ILE MD 2.039 . 2.559 2.185 1.786 2.842 0.283 18 0 "[ . 1 . 2]" 1
32 1 9 ILE HB 1 9 ILE MG 1.904 . 2.357 2.097 2.062 2.122 . 0 0 "[ . 1 . 2]" 1
33 1 9 ILE QG 1 9 ILE MG 2.078 . 2.618 2.454 1.944 2.612 . 0 0 "[ . 1 . 2]" 1
34 1 20 ILE HB 1 20 ILE MG 1.978 . 2.451 2.117 2.099 2.132 . 0 0 "[ . 1 . 2]" 1
35 1 65 ILE HB 1 65 ILE MG 1.911 . 2.368 2.098 2.079 2.113 . 0 0 "[ . 1 . 2]" 1
36 1 65 ILE MG 1 68 LYS QB 2.361 . 3.058 3.019 2.216 3.231 0.173 13 0 "[ . 1 . 2]" 1
37 1 9 ILE MG 1 75 ALA MB 1.997 . 2.496 2.044 1.736 2.706 0.210 8 0 "[ . 1 . 2]" 1
38 1 45 ILE MD 1 45 ILE HG12 1.812 . 2.222 2.093 2.077 2.106 . 0 0 "[ . 1 . 2]" 1
39 1 45 ILE HA 1 45 ILE HG13 2.158 . 2.740 2.762 2.313 2.988 0.248 1 0 "[ . 1 . 2]" 1
40 1 61 PHE QB 1 98 ILE MD 2.710 . 3.628 3.498 3.319 3.585 . 0 0 "[ . 1 . 2]" 1
41 1 7 ILE MD 1 84 LEU QB 2.371 . 2.979 2.233 1.652 3.200 0.221 19 0 "[ . 1 . 2]" 1
42 1 7 ILE MD 1 7 ILE MG 1.875 . 2.315 2.143 1.580 2.750 0.435 19 0 "[ . 1 . 2]" 1
43 1 7 ILE HB 1 7 ILE MD 2.263 . 2.903 3.110 2.620 3.163 0.260 5 0 "[ . 1 . 2]" 1
44 1 7 ILE MG 1 9 ILE MD 2.531 . 3.332 3.142 2.101 3.776 0.444 17 0 "[ . 1 . 2]" 1
45 1 20 ILE MG 1 21 LEU H 2.257 . 2.894 2.667 1.801 2.987 0.093 7 0 "[ . 1 . 2]" 1
46 1 20 ILE MG 1 37 LEU H 2.477 . 3.244 2.789 2.266 3.324 0.080 8 0 "[ . 1 . 2]" 1
47 1 44 ILE MG 1 45 ILE H 2.185 . 2.782 2.627 2.373 2.885 0.103 7 0 "[ . 1 . 2]" 1
48 1 98 ILE MG 1 99 TYR H 2.288 . 2.943 2.870 2.590 3.028 0.085 6 0 "[ . 1 . 2]" 1
49 1 92 SER H 1 98 ILE MG 2.411 . 3.138 3.175 2.912 3.302 0.164 18 0 "[ . 1 . 2]" 1
50 1 11 ILE MG 1 12 LYS H 2.272 . 2.917 2.942 2.688 3.050 0.133 18 0 "[ . 1 . 2]" 1
51 1 7 ILE MG 1 76 TYR QD 2.321 . 2.994 3.000 2.114 3.349 0.355 9 0 "[ . 1 . 2]" 1
52 1 7 ILE MG 1 8 GLU H 2.335 . 3.017 2.366 1.774 3.128 0.111 19 0 "[ . 1 . 2]" 1
53 1 97 ALA MB 1 98 ILE H 2.101 . 2.653 1.864 1.648 2.069 0.092 12 0 "[ . 1 . 2]" 1
54 1 93 ALA MB 1 94 ARG H 2.425 . 3.160 3.223 2.699 3.443 0.283 2 0 "[ . 1 . 2]" 1
55 1 93 ALA H 1 93 ALA MB 2.214 . 2.827 2.176 2.029 2.573 . 0 0 "[ . 1 . 2]" 1
56 1 73 VAL H 1 73 VAL QG 2.260 . 2.899 2.190 1.968 2.490 . 0 0 "[ . 1 . 2]" 1
57 1 10 VAL H 1 10 VAL QG 2.092 . 2.639 1.988 1.770 2.668 0.029 13 0 "[ . 1 . 2]" 1
58 1 75 ALA HA 1 75 ALA MB 1.910 . 2.366 2.119 2.081 2.138 . 0 0 "[ . 1 . 2]" 1
59 1 14 THR HB 1 14 THR MG 1.910 . 2.366 2.108 2.098 2.137 . 0 0 "[ . 1 . 2]" 1
60 1 15 LEU QD 1 95 MET HA 2.232 . 2.844 2.786 2.067 3.033 0.189 6 0 "[ . 1 . 2]" 1
61 1 97 ALA HA 1 97 ALA MB 1.948 . 2.423 2.130 2.112 2.152 . 0 0 "[ . 1 . 2]" 1
62 1 97 ALA MB 1 112 LYS HA 2.139 . 2.711 2.823 2.643 2.926 0.215 6 0 "[ . 1 . 2]" 1
63 1 34 VAL HA 1 34 VAL QG 1.938 . 2.407 2.101 2.037 2.130 . 0 0 "[ . 1 . 2]" 1
64 1 97 ALA MB 1 109 PRO HA 2.464 . 3.223 2.970 2.582 3.291 0.068 19 0 "[ . 1 . 2]" 1
65 1 34 VAL HB 1 34 VAL QG 1.840 . 2.189 1.892 1.877 1.899 . 0 0 "[ . 1 . 2]" 1
66 1 93 ALA MB 1 98 ILE HG12 2.460 . 3.216 3.444 3.391 3.504 0.288 17 0 "[ . 1 . 2]" 1
67 1 30 THR MG 1 47 PHE QD 2.329 . 3.007 2.884 1.789 3.324 0.317 5 0 "[ . 1 . 2]" 1
68 1 97 ALA MB 1 112 LYS QB 2.387 . 3.099 2.660 2.170 3.057 . 0 0 "[ . 1 . 2]" 1
69 1 97 ALA MB 1 109 PRO QB 2.008 . 2.512 1.947 1.769 2.531 0.049 8 0 "[ . 1 . 2]" 1
70 1 20 ILE MG 1 36 TYR HB2 2.386 . 3.098 2.256 1.742 3.313 0.215 11 0 "[ . 1 . 2]" 1
71 1 1 ALA MB 1 83 PRO HA 2.408 . 3.133 2.860 1.956 3.562 0.429 15 0 "[ . 1 . 2]" 1
72 1 20 ILE QG 1 20 ILE MG 2.280 . 2.819 2.456 2.254 2.623 . 0 0 "[ . 1 . 2]" 1
73 1 20 ILE MG 1 36 TYR HA 2.622 . 3.481 3.659 3.194 4.125 0.644 10 2 "[ . + - 2]" 1
74 1 20 ILE MG 1 38 ASN HA 2.712 . 3.631 2.990 2.488 3.441 . 0 0 "[ . 1 . 2]" 1
75 1 74 GLU HA 1 74 GLU HB3 2.260 . 2.898 2.522 2.220 3.013 0.115 6 0 "[ . 1 . 2]" 1
76 1 68 LYS HA 1 68 LYS QB 2.350 . 2.706 2.372 2.148 2.481 . 0 0 "[ . 1 . 2]" 1
77 1 114 ARG HA 1 114 ARG QB 2.369 . 3.071 2.301 2.084 2.503 . 0 0 "[ . 1 . 2]" 1
78 1 39 PHE QB 1 39 PHE QD 2.417 . 2.771 2.150 2.114 2.244 . 0 0 "[ . 1 . 2]" 1
79 1 74 GLU HA 1 74 GLU HG3 2.387 . 3.100 3.024 2.370 3.740 0.640 11 3 "[ - 1+ .* 2]" 1
80 1 50 ASP HA 1 50 ASP HB2 2.197 . 2.800 2.496 2.354 2.997 0.197 18 0 "[ . 1 . 2]" 1
81 1 85 CYS HA 1 85 CYS QB 2.467 . 3.048 2.243 2.101 2.407 . 0 0 "[ . 1 . 2]" 1
82 1 24 HIS HA 1 24 HIS QB 2.371 . 2.936 2.343 2.173 2.374 . 0 0 "[ . 1 . 2]" 1
83 1 97 ALA HA 1 98 ILE H 2.229 . 2.850 2.553 2.395 2.786 . 0 0 "[ . 1 . 2]" 1
84 1 9 ILE MG 1 75 ALA HA 2.391 . 3.105 2.878 1.765 3.391 0.286 2 0 "[ . 1 . 2]" 1
85 1 72 GLU HA 1 73 VAL H 2.060 . 2.590 2.161 2.094 2.223 . 0 0 "[ . 1 . 2]" 1
86 1 23 TYR HA 1 24 HIS H 2.269 . 2.913 2.184 2.048 2.394 . 0 0 "[ . 1 . 2]" 1
87 1 91 LEU HA 1 92 SER H 2.113 . 2.671 2.156 2.061 2.244 . 0 0 "[ . 1 . 2]" 1
88 1 58 ASN HA 1 59 CYS H 2.314 . 2.983 2.255 2.121 2.484 . 0 0 "[ . 1 . 2]" 1
89 1 109 PRO HA 1 109 PRO QB 2.298 . 2.927 2.221 2.174 2.240 . 0 0 "[ . 1 . 2]" 1
90 1 65 ILE HA 1 65 ILE HB 2.300 . 2.961 2.368 2.280 2.541 . 0 0 "[ . 1 . 2]" 1
91 1 32 VAL HA 1 32 VAL HB 2.445 . 3.192 2.681 2.137 3.026 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE HB 1 7 ILE QG 2.612 . 3.376 2.136 2.105 2.161 . 0 0 "[ . 1 . 2]" 1
93 1 7 ILE HA 1 8 GLU H 2.195 . 2.797 2.272 2.034 2.648 . 0 0 "[ . 1 . 2]" 1
94 1 9 ILE H 1 9 ILE MD 2.613 . 3.466 3.068 2.457 3.609 0.143 7 0 "[ . 1 . 2]" 1
95 1 9 ILE HA 1 9 ILE MD 2.602 . 3.448 3.178 2.119 3.767 0.319 16 0 "[ . 1 . 2]" 1
96 1 9 ILE HA 1 9 ILE HB 2.825 . 3.823 2.819 2.554 3.029 . 0 0 "[ . 1 . 2]" 1
97 1 45 ILE H 1 45 ILE HB 2.460 . 3.216 2.512 2.213 3.268 0.052 7 0 "[ . 1 . 2]" 1
98 1 11 ILE H 1 11 ILE HG12 2.598 . 3.442 2.800 2.336 3.154 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MD 1 12 LYS H 2.586 . 3.422 3.539 3.256 3.707 0.285 10 0 "[ . 1 . 2]" 1
100 1 20 ILE MG 1 36 TYR QE 2.597 . 3.440 3.526 3.407 3.639 0.199 13 0 "[ . 1 . 2]" 1
101 1 20 ILE MD 1 20 ILE MG 1.744 . 2.124 1.756 1.557 1.970 . 0 0 "[ . 1 . 2]" 1
102 1 20 ILE MD 1 38 ASN QB 2.705 . 3.620 2.424 1.680 3.115 0.110 18 0 "[ . 1 . 2]" 1
103 1 20 ILE MD 1 36 TYR QD 2.567 . 3.391 3.235 1.995 3.658 0.267 11 0 "[ . 1 . 2]" 1
104 1 20 ILE MD 1 39 PHE H 2.391 . 3.106 3.173 2.487 3.391 0.285 18 0 "[ . 1 . 2]" 1
105 1 20 ILE HB 1 20 ILE QG 2.468 . 3.229 2.157 2.145 2.200 . 0 0 "[ . 1 . 2]" 1
106 1 45 ILE HA 1 45 ILE MG 2.540 . 3.346 2.487 2.276 3.052 . 0 0 "[ . 1 . 2]" 1
107 1 20 ILE HA 1 38 ASN HA 2.459 . 3.215 3.068 2.621 3.383 0.168 13 0 "[ . 1 . 2]" 1
108 1 20 ILE HA 1 21 LEU H 2.092 . 2.639 2.153 2.050 2.222 . 0 0 "[ . 1 . 2]" 1
109 1 45 ILE H 1 45 ILE HA 2.509 . 3.296 2.887 2.831 2.933 . 0 0 "[ . 1 . 2]" 1
110 1 45 ILE HA 1 45 ILE MD 2.625 . 3.486 3.760 3.680 3.873 0.387 7 0 "[ . 1 . 2]" 1
111 1 45 ILE MD 1 45 ILE MG 1.907 . 2.362 2.014 1.546 2.436 0.074 12 0 "[ . 1 . 2]" 1
112 1 45 ILE HB 1 45 ILE MG 2.044 . 2.566 2.114 2.100 2.125 . 0 0 "[ . 1 . 2]" 1
113 1 45 ILE H 1 45 ILE MD 2.481 . 3.251 3.353 2.946 3.667 0.416 7 0 "[ . 1 . 2]" 1
114 1 45 ILE H 1 45 ILE HG12 2.570 . 3.395 3.657 3.427 4.288 0.893 16 4 "[ .* 1 - .+ * 2]" 1
115 1 15 LEU H 1 15 LEU QD 2.565 . 3.388 1.891 1.598 2.162 0.261 18 0 "[ . 1 . 2]" 1
116 1 15 LEU H 1 15 LEU HG 2.612 . 3.465 3.759 3.474 3.902 0.437 19 0 "[ . 1 . 2]" 1
117 1 15 LEU H 1 15 LEU HA 2.615 . 3.470 2.840 2.694 2.884 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HG 1 94 ARG HA 2.587 . 3.423 3.867 3.453 5.178 1.755 17 3 "[ . 1 - *. + 2]" 1
119 1 92 SER HA 1 93 ALA MB 2.664 . 3.551 3.786 3.636 3.829 0.278 11 0 "[ . 1 . 2]" 1
120 1 5 LYS HA 1 5 LYS QB 1.952 . 2.428 2.341 2.077 2.460 0.032 17 0 "[ . 1 . 2]" 1
121 1 61 PHE HA 1 62 ARG H 2.177 . 2.770 2.184 2.124 2.278 . 0 0 "[ . 1 . 2]" 1
122 1 23 TYR H 1 36 TYR HA 2.590 . 3.428 3.166 2.791 3.593 0.165 10 0 "[ . 1 . 2]" 1
123 1 25 CYS HB2 1 45 ILE MD 2.565 . 3.388 2.817 1.868 3.404 0.016 4 0 "[ . 1 . 2]" 1
124 1 9 ILE MD 1 45 ILE MD 2.634 . 3.501 3.270 2.153 3.656 0.155 6 0 "[ . 1 . 2]" 1
125 1 64 GLY QA 1 65 ILE MG 2.557 . 3.374 3.219 2.680 3.484 0.110 13 0 "[ . 1 . 2]" 1
126 1 65 ILE MG 1 69 PHE QB 2.622 . 3.481 3.277 2.159 3.601 0.120 6 0 "[ . 1 . 2]" 1
127 1 14 THR MG 1 95 MET QG 2.505 . 3.290 3.073 1.778 3.395 0.105 11 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 95 MET H 2.638 . 3.508 3.426 2.008 3.770 0.262 18 0 "[ . 1 . 2]" 1
129 1 12 LYS HA 1 42 THR MG 2.352 . 3.044 3.032 2.767 3.197 0.153 11 0 "[ . 1 . 2]" 1
130 1 24 HIS HA 1 34 VAL QG 2.544 . 3.353 2.481 1.747 3.073 0.096 18 0 "[ . 1 . 2]" 1
131 1 33 GLY H 1 34 VAL QG 2.714 . 3.635 3.586 2.803 3.986 0.351 20 0 "[ . 1 . 2]" 1
132 1 24 HIS H 1 24 HIS HA 2.603 . 3.450 2.933 2.884 2.949 . 0 0 "[ . 1 . 2]" 1
133 1 91 LEU HA 1 91 LEU HB3 2.643 . 3.511 2.281 2.216 2.434 . 0 0 "[ . 1 . 2]" 1
134 1 90 GLU HA 1 91 LEU H 2.073 . 2.610 2.138 2.046 2.376 . 0 0 "[ . 1 . 2]" 1
135 1 73 VAL H 1 73 VAL HA 2.543 . 3.351 2.938 2.909 2.954 . 0 0 "[ . 1 . 2]" 1
136 1 61 PHE QD 1 98 ILE MD 2.390 . 3.104 2.409 1.791 2.906 . 0 0 "[ . 1 . 2]" 1
137 1 61 PHE QD 1 71 THR MG 2.209 . 2.819 2.670 1.997 2.870 0.051 6 0 "[ . 1 . 2]" 1
138 1 98 ILE HG13 1 113 TRP H 2.330 . 3.009 3.077 2.855 3.180 0.171 16 0 "[ . 1 . 2]" 1
139 1 98 ILE HG12 1 113 TRP H 2.331 . 3.010 2.404 1.893 2.749 . 0 0 "[ . 1 . 2]" 1
140 1 61 PHE QE 1 73 VAL QG 2.015 . 2.523 2.559 2.114 2.804 0.281 13 0 "[ . 1 . 2]" 1
141 1 61 PHE QD 1 73 VAL QG 2.143 . 2.717 2.832 2.509 2.950 0.233 16 0 "[ . 1 . 2]" 1
142 1 20 ILE MG 1 36 TYR QD 2.039 . 2.559 1.885 1.638 2.025 . 0 0 "[ . 1 . 2]" 1
143 1 97 ALA MB 1 111 ASN H 2.065 . 2.598 2.955 2.885 3.042 0.444 18 0 "[ . 1 . 2]" 1
144 1 44 ILE HA 1 45 ILE H 2.217 . 2.831 1.996 1.934 2.076 . 0 0 "[ . 1 . 2]" 1
145 1 60 LEU HA 1 61 PHE H 2.114 . 2.673 2.174 2.100 2.221 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLU HA 1 9 ILE H 2.162 . 2.746 2.212 2.077 2.787 0.041 11 0 "[ . 1 . 2]" 1
147 1 22 GLN HA 1 23 TYR H 2.303 . 2.966 2.160 2.033 2.213 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU HA 1 22 GLN H 2.367 . 3.067 2.293 2.098 2.740 . 0 0 "[ . 1 . 2]" 1
149 1 61 PHE H 1 72 GLU HA 2.456 . 3.210 3.300 2.797 3.498 0.288 9 0 "[ . 1 . 2]" 1
150 1 11 ILE HA 1 12 LYS H 2.215 . 2.828 2.117 2.073 2.194 . 0 0 "[ . 1 . 2]" 1
151 1 51 GLY HA3 1 52 THR H 2.479 . 3.247 3.218 2.666 3.548 0.301 4 0 "[ . 1 . 2]" 1
152 1 76 TYR HA 1 76 TYR QD 2.140 . 2.712 2.466 1.855 2.934 0.222 9 0 "[ . 1 . 2]" 1
153 1 61 PHE HA 1 61 PHE QD 2.549 . 3.361 2.617 1.733 3.234 0.094 3 0 "[ . 1 . 2]" 1
154 1 23 TYR HA 1 23 TYR QD 2.570 . 3.395 3.692 3.666 3.711 0.316 3 0 "[ . 1 . 2]" 1
155 1 25 CYS HA 1 59 CYS HA 1.946 . 2.419 1.863 1.647 2.173 . 0 0 "[ . 1 . 2]" 1
156 1 8 GLU HA 1 46 LYS HA 2.244 . 2.580 2.158 1.830 2.592 0.017 11 0 "[ . 1 . 2]" 1
157 1 60 LEU HA 1 72 GLU HA 2.024 . 2.536 2.255 1.971 2.431 . 0 0 "[ . 1 . 2]" 1
158 1 12 LYS HA 1 42 THR HA 1.992 . 2.488 2.583 2.236 2.789 0.301 12 0 "[ . 1 . 2]" 1
159 1 22 GLN HA 1 36 TYR HA 2.309 . 2.976 2.059 1.731 3.364 0.388 10 0 "[ . 1 . 2]" 1
160 1 91 LEU HA 1 100 PHE HA 2.327 . 3.004 2.750 1.877 3.129 0.125 11 0 "[ . 1 . 2]" 1
161 1 21 LEU QB 1 61 PHE QD 2.143 . 2.717 2.783 2.549 2.943 0.226 18 0 "[ . 1 . 2]" 1
162 1 61 PHE QE 1 93 ALA MB 2.062 . 2.593 2.054 1.738 2.750 0.157 11 0 "[ . 1 . 2]" 1
163 1 70 PHE HA 1 70 PHE QB 2.333 . 3.013 2.427 2.327 2.507 . 0 0 "[ . 1 . 2]" 1
164 1 6 GLU HA 1 48 LYS HA 2.159 . 2.742 2.219 1.672 3.443 0.701 19 1 "[ . 1 . +2]" 1
165 1 30 THR HA 1 30 THR HB 2.260 . 2.898 2.904 2.567 3.033 0.135 5 0 "[ . 1 . 2]" 1
166 1 115 SER HA 1 115 SER HB2 2.223 . 2.841 2.609 2.407 3.002 0.161 18 0 "[ . 1 . 2]" 1
167 1 50 ASP HA 1 50 ASP HB3 2.189 . 2.788 2.765 2.327 3.005 0.217 15 0 "[ . 1 . 2]" 1
168 1 14 THR HA 1 14 THR HB 2.018 . 2.527 2.373 2.212 2.884 0.357 13 0 "[ . 1 . 2]" 1
169 1 10 VAL HA 1 44 ILE HA 2.384 . 3.094 2.379 2.057 3.171 0.077 11 0 "[ . 1 . 2]" 1
170 1 71 THR HA 1 71 THR HB 2.060 . 2.590 2.634 2.449 2.836 0.246 2 0 "[ . 1 . 2]" 1
171 1 39 PHE HA 1 39 PHE QB 2.332 . 2.852 2.242 2.153 2.428 . 0 0 "[ . 1 . 2]" 1
172 1 92 SER HA 1 92 SER HB3 2.168 . 2.756 2.441 2.237 2.992 0.236 12 0 "[ . 1 . 2]" 1
173 1 92 SER HA 1 92 SER HB2 2.132 . 2.700 2.697 2.478 3.004 0.304 14 0 "[ . 1 . 2]" 1
174 1 99 TYR HA 1 109 PRO HA 2.081 . 2.622 2.426 1.910 2.711 0.089 13 0 "[ . 1 . 2]" 1
175 1 107 PRO HA 1 107 PRO HB3 2.242 . 2.870 2.295 2.268 2.358 . 0 0 "[ . 1 . 2]" 1
176 1 29 ASN HA 1 29 ASN HB2 2.285 . 2.937 2.600 2.330 3.028 0.091 1 0 "[ . 1 . 2]" 1
177 1 29 ASN HA 1 29 ASN HB3 2.361 . 3.058 2.849 2.391 3.035 . 0 0 "[ . 1 . 2]" 1
178 1 7 ILE HA 1 7 ILE MG 2.206 . 2.797 2.388 2.124 2.568 . 0 0 "[ . 1 . 2]" 1
179 1 73 VAL HA 1 73 VAL QG 2.035 . 2.553 2.070 2.026 2.105 . 0 0 "[ . 1 . 2]" 1
180 1 93 ALA HA 1 98 ILE MD 1.910 . 2.130 1.748 1.668 1.937 . 0 0 "[ . 1 . 2]" 1
181 1 71 THR HB 1 71 THR MG 2.042 . 2.535 2.121 2.105 2.141 . 0 0 "[ . 1 . 2]" 1
182 1 65 ILE HA 1 65 ILE MD 2.093 . 2.641 2.164 1.933 2.316 . 0 0 "[ . 1 . 2]" 1
183 1 32 VAL HA 1 32 VAL QG 1.991 . 2.486 2.247 2.047 2.501 0.015 10 0 "[ . 1 . 2]" 1
184 1 52 THR HB 1 52 THR MG 1.794 . 2.191 2.124 2.111 2.130 . 0 0 "[ . 1 . 2]" 1
185 1 12 LYS HA 1 12 LYS HB3 2.490 . 3.265 2.935 2.805 2.996 . 0 0 "[ . 1 . 2]" 1
186 1 12 LYS HA 1 12 LYS HB2 2.481 . 3.251 2.757 2.545 2.900 . 0 0 "[ . 1 . 2]" 1
187 1 72 GLU HA 1 72 GLU HB2 2.333 . 2.996 2.457 2.302 2.635 . 0 0 "[ . 1 . 2]" 1
188 1 59 CYS HA 1 59 CYS QB 2.402 . 3.123 2.305 2.135 2.467 . 0 0 "[ . 1 . 2]" 1
189 1 23 TYR HA 1 23 TYR HB3 2.375 . 3.078 2.517 2.406 2.611 . 0 0 "[ . 1 . 2]" 1
190 1 58 ASN HA 1 58 ASN HB2 2.334 . 2.977 2.560 2.235 3.042 0.065 15 0 "[ . 1 . 2]" 1
191 1 36 TYR HA 1 36 TYR HB3 2.568 . 3.392 2.455 2.287 2.808 . 0 0 "[ . 1 . 2]" 1
192 1 23 TYR HA 1 23 TYR HB2 2.336 . 3.018 2.386 2.321 2.483 . 0 0 "[ . 1 . 2]" 1
193 1 61 PHE HA 1 61 PHE QB 2.640 . 3.511 2.425 2.346 2.490 . 0 0 "[ . 1 . 2]" 1
194 1 25 CYS HA 1 25 CYS HB2 2.485 . 3.257 2.762 2.612 3.019 . 0 0 "[ . 1 . 2]" 1
195 1 42 THR HA 1 42 THR HB 2.105 . 2.659 2.645 2.591 2.730 0.071 9 0 "[ . 1 . 2]" 1
196 1 24 HIS HA 1 34 VAL HA 2.292 . 2.948 2.365 2.032 4.053 1.105 18 1 "[ . 1 . + 2]" 1
197 1 89 TYR HA 1 89 TYR HB3 2.564 . 3.386 2.569 2.302 2.968 . 0 0 "[ . 1 . 2]" 1
198 1 38 ASN HA 1 38 ASN QB 2.393 . 3.061 2.262 2.142 2.468 . 0 0 "[ . 1 . 2]" 1
199 1 112 LYS HA 1 112 LYS QB 2.056 . 2.584 2.197 2.116 2.412 . 0 0 "[ . 1 . 2]" 1
200 1 105 ARG HA 1 105 ARG HB3 2.366 . 3.066 2.470 2.333 2.588 . 0 0 "[ . 1 . 2]" 1
201 1 104 GLU HA 1 104 GLU HB2 1.984 . 2.476 2.496 2.319 2.964 0.488 6 0 "[ . 1 . 2]" 1
202 1 44 ILE HA 1 44 ILE HG13 2.307 . 2.972 2.302 2.205 2.400 . 0 0 "[ . 1 . 2]" 1
203 1 37 LEU HA 1 37 LEU HB2 2.453 . 3.205 2.610 2.338 3.019 . 0 0 "[ . 1 . 2]" 1
204 1 60 LEU HA 1 60 LEU QB 2.553 . 3.368 2.359 2.279 2.438 . 0 0 "[ . 1 . 2]" 1
205 1 15 LEU HA 1 15 LEU HG 2.587 . 3.424 2.648 2.431 2.854 . 0 0 "[ . 1 . 2]" 1
206 1 62 ARG HA 1 70 PHE HA 2.291 . 2.947 2.675 2.423 3.859 0.912 11 2 "[ . 1+ . - 2]" 1
207 1 36 TYR HA 1 36 TYR QD 2.383 . 3.093 3.340 2.063 3.647 0.554 19 10 "[-* *.** *1 * .** +2]" 1
208 1 14 THR HB 1 39 PHE QD 2.227 . 2.847 2.483 2.128 3.990 1.143 13 1 "[ . 1 + . 2]" 1
209 1 24 HIS HA 1 24 HIS HD1 1.892 . 2.339 2.222 2.059 2.616 0.277 18 0 "[ . 1 . 2]" 1
210 1 70 PHE HA 1 70 PHE QD 2.324 . 2.999 2.227 1.867 2.624 . 0 0 "[ . 1 . 2]" 1
211 1 17 PRO HA 1 39 PHE QD 2.137 . 2.708 2.879 2.086 5.192 2.484 18 2 "[ . 1 .- + 2]" 1
212 1 70 PHE QB 1 70 PHE QD 2.106 . 2.589 2.131 2.076 2.219 . 0 0 "[ . 1 . 2]" 1
213 1 23 TYR HB2 1 23 TYR QD 2.209 . 2.819 2.304 2.240 2.411 . 0 0 "[ . 1 . 2]" 1
214 1 36 TYR HB2 1 36 TYR QD 2.154 . 2.734 2.367 2.211 2.763 0.029 18 0 "[ . 1 . 2]" 1
215 1 36 TYR HB3 1 36 TYR QD 2.112 . 2.669 2.402 2.158 2.541 . 0 0 "[ . 1 . 2]" 1
216 1 59 CYS QB 1 61 PHE QE 2.279 . 2.928 2.435 1.890 2.973 0.061 16 0 "[ . 1 . 2]" 1
217 1 61 PHE QB 1 61 PHE QD 2.175 . 2.767 2.222 2.123 2.301 . 0 0 "[ . 1 . 2]" 1
218 1 23 TYR HB3 1 23 TYR QD 2.141 . 2.714 2.485 2.370 2.652 . 0 0 "[ . 1 . 2]" 1
219 1 23 TYR HB3 1 61 PHE QE 2.432 . 3.171 3.052 1.863 3.393 0.222 19 0 "[ . 1 . 2]" 1
220 1 23 TYR HB3 1 61 PHE QD 2.423 . 3.157 3.116 2.367 3.505 0.348 2 0 "[ . 1 . 2]" 1
221 1 34 VAL HA 1 34 VAL HB 2.337 . 3.020 3.012 2.902 3.028 0.008 14 0 "[ . 1 . 2]" 1
222 1 40 LYS HA 1 40 LYS QB 2.260 . 2.648 2.372 2.147 2.520 . 0 0 "[ . 1 . 2]" 1
223 1 17 PRO HA 1 17 PRO HB3 2.186 . 2.783 2.298 2.247 2.340 . 0 0 "[ . 1 . 2]" 1
224 1 13 ASN QB 1 93 ALA MB 2.271 . 2.916 2.820 2.256 4.317 1.401 13 1 "[ . 1 + . 2]" 1
225 1 12 LYS HG3 1 42 THR MG 1.828 . 2.246 2.120 1.688 3.096 0.850 12 3 "[ . *- 1 + . 2]" 1
226 1 98 ILE MD 1 98 ILE HG13 1.893 . 2.341 2.103 2.063 2.113 . 0 0 "[ . 1 . 2]" 1
227 1 61 PHE QB 1 71 THR MG 2.225 . 2.844 1.880 1.722 2.207 0.050 13 0 "[ . 1 . 2]" 1
228 1 98 ILE HB 1 98 ILE HG13 1.923 . 2.385 2.324 2.286 2.366 . 0 0 "[ . 1 . 2]" 1
229 1 98 ILE HB 1 98 ILE MD 2.477 . 3.244 3.159 3.094 3.192 . 0 0 "[ . 1 . 2]" 1
230 1 21 LEU HA 1 21 LEU QB 2.128 . 2.694 2.383 2.145 2.527 . 0 0 "[ . 1 . 2]" 1
231 1 13 ASN HA 1 93 ALA MB 2.164 . 2.749 2.511 1.754 2.980 0.231 13 0 "[ . 1 . 2]" 1
232 1 52 THR HA 1 52 THR MG 1.918 . 2.378 2.317 2.179 2.406 0.028 15 0 "[ . 1 . 2]" 1
233 1 11 ILE HA 1 11 ILE MD 2.045 . 2.568 1.868 1.814 1.989 . 0 0 "[ . 1 . 2]" 1
234 1 78 PRO HA 1 78 PRO HB2 2.040 . 2.560 2.714 2.587 2.941 0.381 6 0 "[ . 1 . 2]" 1
235 1 1 ALA HA 1 1 ALA MB 2.152 . 2.731 2.131 2.125 2.146 . 0 0 "[ . 1 . 2]" 1
236 1 98 ILE HB 1 112 LYS HA 2.247 . 2.878 3.048 2.967 3.170 0.292 3 0 "[ . 1 . 2]" 1
237 1 24 HIS QB 1 60 LEU QB 2.010 . 2.515 2.256 1.878 2.484 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG QB 1 39 PHE QB 2.115 . 2.674 2.243 1.727 3.852 1.178 13 1 "[ . 1 + . 2]" 1
239 1 9 ILE QG 1 45 ILE MG 2.005 . 2.508 2.370 1.843 2.628 0.120 5 0 "[ . 1 . 2]" 1
240 1 44 ILE HB 1 44 ILE MD 2.122 . 2.685 2.269 2.176 2.310 . 0 0 "[ . 1 . 2]" 1
241 1 10 VAL HB 1 10 VAL QG 2.192 . 2.209 1.889 1.869 1.900 . 0 0 "[ . 1 . 2]" 1
242 1 20 ILE HB 1 20 ILE MD 2.138 . 2.710 3.047 2.682 3.191 0.481 7 0 "[ . 1 . 2]" 1
243 1 71 THR MG 1 73 VAL QG 2.065 . 2.598 2.132 1.936 2.427 . 0 0 "[ . 1 . 2]" 1
244 1 43 ARG HA 1 43 ARG QB 2.174 . 2.765 2.450 2.320 2.545 . 0 0 "[ . 1 . 2]" 1
245 1 47 PHE HA 1 47 PHE QD 2.543 . 3.351 2.513 1.798 3.531 0.180 8 0 "[ . 1 . 2]" 1
246 1 35 GLN HA 1 36 TYR QD 2.517 . 3.309 3.307 2.800 4.281 0.972 10 2 "[ . + - 2]" 1
247 1 69 PHE HA 1 69 PHE QB 2.526 . 3.184 2.354 2.173 2.517 . 0 0 "[ . 1 . 2]" 1
248 1 89 TYR HA 1 89 TYR HB2 2.513 . 3.303 2.918 2.520 3.038 . 0 0 "[ . 1 . 2]" 1
249 1 24 HIS HE1 1 34 VAL QG 2.477 . 3.244 3.189 2.973 3.469 0.225 18 0 "[ . 1 . 2]" 1
250 1 23 TYR QE 1 45 ILE MD 2.109 . 2.665 2.239 1.806 2.791 0.126 7 0 "[ . 1 . 2]" 1
251 1 79 ASP QB 1 82 HIS HD1 2.395 . 3.112 2.745 1.563 5.630 2.518 10 4 "[ - * + * . 2]" 1
252 1 23 TYR QD 1 36 TYR HA 2.682 . 3.581 3.436 2.959 3.797 0.216 18 0 "[ . 1 . 2]" 1
253 1 23 TYR QD 1 59 CYS QB 2.381 . 3.090 2.565 1.912 3.223 0.133 18 0 "[ . 1 . 2]" 1
254 1 113 TRP H 1 113 TRP QB 2.695 . 3.453 2.707 2.426 2.864 . 0 0 "[ . 1 . 2]" 1
255 1 23 TYR HA 1 61 PHE QD 2.706 . 3.622 3.106 2.401 3.679 0.057 17 0 "[ . 1 . 2]" 1
256 1 30 THR HB 1 47 PHE QE 2.441 . 3.186 2.689 1.834 3.536 0.350 4 0 "[ . 1 . 2]" 1
257 1 24 HIS HD1 1 25 CYS HA 2.913 . 3.974 4.170 3.817 4.275 0.301 8 0 "[ . 1 . 2]" 1
258 1 14 THR HA 1 39 PHE QD 2.426 . 3.161 2.324 1.733 5.006 1.845 13 1 "[ . 1 + . 2]" 1
259 1 110 LEU HA 1 111 ASN H 2.425 . 3.160 3.331 3.220 3.456 0.296 14 0 "[ . 1 . 2]" 1
260 1 47 PHE HB2 1 47 PHE QD 2.425 . 3.160 2.431 2.250 2.752 . 0 0 "[ . 1 . 2]" 1
261 1 47 PHE HB3 1 47 PHE QD 2.464 . 3.223 2.535 2.198 2.789 . 0 0 "[ . 1 . 2]" 1
262 1 62 ARG HA 1 70 PHE QE 2.898 . 3.948 3.901 3.244 4.186 0.238 3 0 "[ . 1 . 2]" 1
263 1 58 ASN HA 1 76 TYR H 2.815 . 3.806 4.049 3.116 6.006 2.200 11 3 "[ . *1+ .- 2]" 1
264 1 23 TYR H 1 23 TYR QD 2.353 . 3.045 2.039 1.713 2.348 0.067 20 0 "[ . 1 . 2]" 1
265 1 10 VAL H 1 90 GLU HA 2.531 . 3.332 2.988 2.268 3.622 0.290 11 0 "[ . 1 . 2]" 1
266 1 11 ILE H 1 11 ILE HA 2.460 . 3.216 2.926 2.908 2.934 . 0 0 "[ . 1 . 2]" 1
267 1 23 TYR HA 1 61 PHE HA 2.298 . 2.958 2.098 1.779 2.524 . 0 0 "[ . 1 . 2]" 1
268 1 58 ASN HA 1 74 GLU HA 2.499 . 2.532 2.535 2.157 2.870 0.338 20 0 "[ . 1 . 2]" 1
269 1 73 VAL QG 1 98 ILE MG 2.122 . 2.284 1.865 1.745 1.944 . 0 0 "[ . 1 . 2]" 1
270 1 9 ILE HB 1 9 ILE MD 2.435 . 2.711 2.981 2.652 3.143 0.432 9 0 "[ . 1 . 2]" 1
271 1 15 LEU QD 1 19 ARG QB . . 2.503 2.423 1.757 3.084 0.581 8 1 "[ . + 1 . 2]" 1
272 1 87 LYS QB 1 88 ARG H 2.591 . 3.322 2.657 1.591 3.458 0.161 12 0 "[ . 1 . 2]" 1
273 1 110 LEU H 1 110 LEU HB3 2.853 . 3.746 2.926 2.502 3.570 . 0 0 "[ . 1 . 2]" 1
274 1 46 LYS HB3 1 47 PHE H 2.961 . 3.926 3.777 2.965 4.038 0.112 4 0 "[ . 1 . 2]" 1
275 1 107 PRO HB2 1 108 GLN H 3.186 . 4.309 3.196 2.180 4.127 . 0 0 "[ . 1 . 2]" 1
276 1 14 THR HA 1 15 LEU H 2.754 . 3.584 2.456 1.797 3.416 0.009 18 0 "[ . 1 . 2]" 1
277 1 111 ASN HA 1 112 LYS H 2.418 . 3.050 2.563 2.173 2.791 . 0 0 "[ . 1 . 2]" 1
278 1 110 LEU H 1 110 LEU HB2 2.582 . 3.307 2.729 2.170 3.129 . 0 0 "[ . 1 . 2]" 1
279 1 12 LYS H 1 92 SER HA 2.798 . 3.655 2.306 1.951 2.568 . 0 0 "[ . 1 . 2]" 1
280 1 74 GLU H 1 74 GLU HB2 2.473 . 3.135 2.514 2.200 3.446 0.311 5 0 "[ . 1 . 2]" 1
281 1 84 LEU HA 1 85 CYS H 2.472 . 3.134 2.731 2.078 3.435 0.301 16 0 "[ . 1 . 2]" 1
282 1 74 GLU HB3 1 76 TYR H 3.019 . 4.024 3.759 2.760 4.776 0.752 5 1 "[ + 1 . 2]" 1
283 1 12 LYS HB3 1 13 ASN H 3.138 . 4.227 3.219 2.666 4.232 0.005 18 0 "[ . 1 . 2]" 1
284 1 56 ARG HA 1 57 TRP HE1 3.202 . 4.337 4.567 4.104 6.046 1.709 15 1 "[ . 1 + 2]" 1
285 1 20 ILE H 1 20 ILE QG 2.949 . 3.905 2.590 1.799 3.488 0.063 2 0 "[ . 1 . 2]" 1
286 1 74 GLU HA 1 75 ALA H 2.595 . 3.329 2.192 2.025 2.604 . 0 0 "[ . 1 . 2]" 1
287 1 98 ILE H 1 98 ILE HA 2.996 . 3.986 2.902 2.855 2.931 . 0 0 "[ . 1 . 2]" 1
288 1 105 ARG H 1 105 ARG HA 2.733 . 3.550 2.881 2.247 2.964 . 0 0 "[ . 1 . 2]" 1
289 1 96 ASP HA 1 97 ALA H 3.186 . 4.310 3.334 2.291 3.625 . 0 0 "[ . 1 . 2]" 1
290 1 71 THR HA 1 72 GLU H 2.284 . 2.844 2.295 2.124 2.577 . 0 0 "[ . 1 . 2]" 1
291 1 81 LYS H 1 81 LYS HB3 2.966 . 3.934 2.929 2.185 3.681 . 0 0 "[ . 1 . 2]" 1
292 1 47 PHE H 1 47 PHE HA 2.867 . 3.768 2.870 2.764 2.959 . 0 0 "[ . 1 . 2]" 1
293 1 94 ARG HA 1 95 MET H 2.773 . 3.615 2.266 1.841 3.422 . 0 0 "[ . 1 . 2]" 1
294 1 59 CYS H 1 74 GLU HA 3.159 . 4.262 3.251 2.454 3.721 . 0 0 "[ . 1 . 2]" 1
295 1 112 LYS QB 1 113 TRP H 2.846 . 3.412 2.980 2.648 3.324 . 0 0 "[ . 1 . 2]" 1
296 1 98 ILE HA 1 99 TYR H 2.367 . 2.971 2.104 2.019 2.170 . 0 0 "[ . 1 . 2]" 1
297 1 96 ASP H 1 97 ALA H 2.431 . 3.071 2.610 2.039 3.088 0.017 20 0 "[ . 1 . 2]" 1
298 1 73 VAL H 1 73 VAL HB 2.723 . 3.534 3.064 2.848 3.463 . 0 0 "[ . 1 . 2]" 1
299 1 20 ILE H 1 20 ILE HB 2.521 . 3.210 2.984 2.556 3.270 0.060 5 0 "[ . 1 . 2]" 1
300 1 59 CYS H 1 59 CYS QB 3.065 . 3.883 2.655 2.356 3.064 . 0 0 "[ . 1 . 2]" 1
301 1 102 MET H 1 102 MET HG3 3.194 . 4.324 3.612 2.675 4.703 0.379 8 0 "[ . 1 . 2]" 1
302 1 104 GLU H 1 105 ARG H 2.778 . 3.422 2.591 1.793 3.475 0.053 2 0 "[ . 1 . 2]" 1
303 1 44 ILE H 1 44 ILE HG12 3.201 . 4.335 4.267 4.190 4.354 0.019 6 0 "[ . 1 . 2]" 1
304 1 8 GLU H 1 8 GLU HB2 3.207 . 4.346 3.016 2.518 3.606 . 0 0 "[ . 1 . 2]" 1
305 1 98 ILE HB 1 98 ILE MG 2.087 . 2.366 2.163 2.145 2.180 . 0 0 "[ . 1 . 2]" 1
306 1 14 THR HA 1 14 THR MG 2.250 . 2.589 2.996 1.989 3.124 0.535 15 15 "[***-* ***** *+* **]" 1
307 1 11 ILE HB 1 11 ILE MG 2.200 . 2.520 2.108 2.069 2.128 . 0 0 "[ . 1 . 2]" 1
308 1 70 PHE HA 1 70 PHE QE 3.112 . 3.862 4.179 3.989 4.414 0.552 3 1 "[ + . 1 . 2]" 1
309 1 45 ILE H 1 45 ILE HG13 3.328 . 4.204 2.628 2.054 4.382 0.178 5 0 "[ . 1 . 2]" 1
310 1 12 LYS HB3 1 92 SER HA 2.430 . 2.842 2.608 2.071 2.910 0.068 20 0 "[ . 1 . 2]" 1
311 1 11 ILE MG 1 43 ARG QB 2.875 . 3.496 3.370 2.685 3.514 0.018 13 0 "[ . 1 . 2]" 1
312 1 23 TYR QD 1 25 CYS HA 3.615 . 4.677 4.228 3.620 4.808 0.131 18 0 "[ . 1 . 2]" 1
313 1 65 ILE HA 1 65 ILE MG 2.329 . 2.699 3.128 3.097 3.156 0.457 11 0 "[ . 1 . 2]" 1
314 1 98 ILE HA 1 98 ILE MG 2.421 . 2.529 2.530 2.471 2.579 0.050 2 0 "[ . 1 . 2]" 1
315 1 112 LYS H 1 112 LYS QB 2.443 . 3.175 3.008 2.634 3.167 . 0 0 "[ . 1 . 2]" 1
316 1 98 ILE HB 1 112 LYS H 2.580 . 3.412 3.516 3.252 4.289 0.877 3 1 "[ + . 1 . 2]" 1
317 1 112 LYS H 1 112 LYS HA 2.853 . 3.853 2.880 2.804 2.910 . 0 0 "[ . 1 . 2]" 1
318 1 5 LYS H 1 5 LYS QB 2.712 . 3.614 2.432 2.067 3.110 . 0 0 "[ . 1 . 2]" 1
319 1 4 CYS HA 1 5 LYS H 2.311 . 2.966 2.452 2.149 3.112 0.146 14 0 "[ . 1 . 2]" 1
320 1 5 LYS H 1 5 LYS HA 2.773 . 3.717 2.816 2.546 2.944 . 0 0 "[ . 1 . 2]" 1
321 1 5 LYS H 1 85 CYS QB 2.716 . 3.621 2.252 1.710 3.262 0.155 16 0 "[ . 1 . 2]" 1
322 1 5 LYS HA 1 6 GLU H 2.244 . 2.860 2.292 2.127 2.601 . 0 0 "[ . 1 . 2]" 1
323 1 107 PRO HA 1 108 GLN H 2.293 . 2.936 2.311 2.076 2.637 . 0 0 "[ . 1 . 2]" 1
324 1 108 GLN H 1 108 GLN HA 2.962 . 4.038 2.919 2.800 2.948 . 0 0 "[ . 1 . 2]" 1
325 1 108 GLN H 1 108 GLN HG2 3.100 . 4.280 2.755 1.991 4.305 0.025 12 0 "[ . 1 . 2]" 1
326 1 108 GLN H 1 108 GLN HG3 2.972 . 4.057 3.204 2.748 3.966 . 0 0 "[ . 1 . 2]" 1
327 1 107 PRO HB3 1 108 GLN H 3.004 . 4.111 3.564 2.070 4.131 0.020 5 0 "[ . 1 . 2]" 1
328 1 108 GLN H 1 108 GLN QB 3.036 . 4.022 2.982 2.397 3.316 . 0 0 "[ . 1 . 2]" 1
329 1 100 PHE H 1 108 GLN H 2.930 . 3.983 3.248 2.663 4.046 0.063 12 0 "[ . 1 . 2]" 1
330 1 8 GLU H 1 8 GLU HB3 2.799 . 3.760 3.650 2.913 3.853 0.093 20 0 "[ . 1 . 2]" 1
331 1 8 GLU H 1 88 ARG HA 2.943 . 4.006 4.081 3.020 6.142 2.136 16 2 "[ . 1- .+ 2]" 1
332 1 8 GLU H 1 8 GLU HG3 3.140 . 4.351 2.950 2.160 4.835 0.484 17 0 "[ . 1 . 2]" 1
333 1 10 VAL H 1 10 VAL HB 2.672 . 3.548 3.433 2.353 3.632 0.084 3 0 "[ . 1 . 2]" 1
334 1 9 ILE HA 1 10 VAL H 2.477 . 3.228 2.217 2.106 2.425 . 0 0 "[ . 1 . 2]" 1
335 1 11 ILE H 1 11 ILE HB 2.522 . 3.302 2.523 2.372 2.634 . 0 0 "[ . 1 . 2]" 1
336 1 11 ILE HB 1 12 LYS H 3.175 . 4.413 4.305 4.092 4.444 0.031 18 0 "[ . 1 . 2]" 1
337 1 12 LYS H 1 12 LYS HB3 2.792 . 3.748 3.052 2.663 3.364 . 0 0 "[ . 1 . 2]" 1
338 1 12 LYS H 1 12 LYS HG3 3.062 . 4.213 4.383 3.700 4.791 0.578 12 3 "[ . *- 1 + . 2]" 1
339 1 12 LYS HA 1 13 ASN H 2.257 . 2.880 2.337 2.140 2.573 . 0 0 "[ . 1 . 2]" 1
340 1 13 ASN H 1 13 ASN QB 2.677 . 3.556 2.810 2.590 3.268 . 0 0 "[ . 1 . 2]" 1
341 1 14 THR H 1 93 ALA MB 2.848 . 3.843 3.335 1.902 3.934 0.091 17 0 "[ . 1 . 2]" 1
342 1 14 THR H 1 14 THR MG 3.059 . 4.208 2.514 2.171 3.498 . 0 0 "[ . 1 . 2]" 1
343 1 14 THR H 1 93 ALA H 2.893 . 3.920 3.906 3.025 4.137 0.217 13 0 "[ . 1 . 2]" 1
344 1 14 THR H 1 15 LEU H 2.616 . 3.456 3.202 2.572 3.657 0.201 18 0 "[ . 1 . 2]" 1
345 1 15 LEU H 1 39 PHE QD 2.893 . 3.920 3.854 3.395 4.136 0.216 4 0 "[ . 1 . 2]" 1
346 1 15 LEU H 1 15 LEU HB3 2.697 . 3.588 3.625 3.530 3.699 0.111 15 0 "[ . 1 . 2]" 1
347 1 15 LEU H 1 19 ARG QB 2.515 . 3.290 2.445 2.073 2.837 . 0 0 "[ . 1 . 2]" 1
348 1 15 LEU H 1 15 LEU HB2 2.867 . 3.876 2.538 2.307 2.678 . 0 0 "[ . 1 . 2]" 1
349 1 15 LEU HA 1 16 GLY H 2.773 . 3.717 3.422 3.240 3.602 . 0 0 "[ . 1 . 2]" 1
350 1 15 LEU HB3 1 16 GLY H 2.757 . 3.690 3.689 3.082 4.157 0.467 7 0 "[ . 1 . 2]" 1
351 1 16 GLY H 1 19 ARG QB 2.945 . 4.010 2.853 2.371 3.694 . 0 0 "[ . 1 . 2]" 1
352 1 15 LEU HB2 1 16 GLY H 3.159 . 4.385 2.703 2.089 3.494 . 0 0 "[ . 1 . 2]" 1
353 1 16 GLY H 1 39 PHE QD 2.501 . 3.267 3.194 2.640 3.489 0.222 13 0 "[ . 1 . 2]" 1
354 1 15 LEU H 1 16 GLY H 2.981 . 4.073 2.202 1.950 3.005 . 0 0 "[ . 1 . 2]" 1
355 1 18 SER H 1 18 SER HA 2.382 . 3.077 2.297 2.242 2.938 . 0 0 "[ . 1 . 2]" 1
356 1 17 PRO HA 1 18 SER H 2.474 . 3.224 2.206 2.104 3.312 0.088 8 0 "[ . 1 . 2]" 1
357 1 19 ARG H 1 19 ARG HA 2.873 . 3.886 2.868 2.291 2.946 . 0 0 "[ . 1 . 2]" 1
358 1 18 SER HA 1 19 ARG H 2.869 . 3.879 2.778 2.239 3.522 . 0 0 "[ . 1 . 2]" 1
359 1 19 ARG H 1 19 ARG QB 2.636 . 3.488 2.424 2.085 3.186 . 0 0 "[ . 1 . 2]" 1
360 1 18 SER H 1 19 ARG H 2.959 . 4.033 2.906 2.594 4.090 0.057 14 0 "[ . 1 . 2]" 1
361 1 19 ARG HA 1 20 ILE H 2.263 . 2.889 2.192 1.939 2.868 . 0 0 "[ . 1 . 2]" 1
362 1 20 ILE H 1 20 ILE HA 2.862 . 3.867 2.916 2.769 2.948 . 0 0 "[ . 1 . 2]" 1
363 1 19 ARG QB 1 20 ILE H 2.740 . 3.661 3.473 2.857 3.646 . 0 0 "[ . 1 . 2]" 1
364 1 20 ILE H 1 20 ILE MG 2.982 . 4.074 3.938 3.683 4.023 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU H 1 21 LEU QB 2.922 . 3.970 2.749 2.359 3.391 . 0 0 "[ . 1 . 2]" 1
366 1 21 LEU H 1 37 LEU H 2.983 . 4.076 2.943 2.425 4.022 . 0 0 "[ . 1 . 2]" 1
367 1 21 LEU QB 1 22 GLN H 2.853 . 3.852 2.811 2.314 3.198 . 0 0 "[ . 1 . 2]" 1
368 1 22 GLN H 1 22 GLN QG 3.028 . 4.153 3.927 3.775 4.060 . 0 0 "[ . 1 . 2]" 1
369 1 22 GLN H 1 62 ARG H 2.959 . 4.034 3.121 2.766 3.735 . 0 0 "[ . 1 . 2]" 1
370 1 22 GLN QG 1 23 TYR H 2.846 . 3.840 3.092 2.668 3.360 . 0 0 "[ . 1 . 2]" 1
371 1 23 TYR H 1 34 VAL QG 3.085 . 4.254 4.153 3.230 4.252 . 0 0 "[ . 1 . 2]" 1
372 1 24 HIS H 1 24 HIS QB 2.936 . 3.994 2.459 2.277 2.766 . 0 0 "[ . 1 . 2]" 1
373 1 23 TYR HB3 1 24 HIS H 3.073 . 4.234 4.154 3.968 4.369 0.135 11 0 "[ . 1 . 2]" 1
374 1 24 HIS H 1 60 LEU QB 3.161 . 4.388 3.040 2.607 3.621 . 0 0 "[ . 1 . 2]" 1
375 1 24 HIS HA 1 25 CYS H 2.599 . 3.428 2.199 2.053 2.269 . 0 0 "[ . 1 . 2]" 1
376 1 25 CYS HB2 1 26 ARG H 3.352 . 4.734 4.334 3.612 4.734 . 4 0 "[ . 1 . 2]" 1
377 1 26 ARG H 1 57 TRP QB 3.100 . 4.280 3.950 2.606 4.282 0.002 7 0 "[ . 1 . 2]" 1
378 1 26 ARG H 1 59 CYS HA 2.875 . 3.891 3.599 2.897 3.969 0.078 3 0 "[ . 1 . 2]" 1
379 1 25 CYS HA 1 26 ARG H 2.339 . 3.009 2.157 2.018 2.378 . 0 0 "[ . 1 . 2]" 1
380 1 26 ARG HB2 1 27 SER H 2.831 . 3.815 3.505 2.609 4.501 0.686 20 2 "[ . 1 . -+]" 1
381 1 26 ARG HA 1 27 SER H 2.327 . 2.991 2.255 2.017 2.649 . 0 0 "[ . 1 . 2]" 1
382 1 27 SER HA 1 28 GLY H 2.741 . 3.663 2.354 2.130 2.499 . 0 0 "[ . 1 . 2]" 1
383 1 29 ASN H 1 29 ASN HA 2.871 . 3.882 2.722 2.245 2.951 . 0 0 "[ . 1 . 2]" 1
384 1 28 GLY QA 1 29 ASN H 3.115 . 4.307 2.567 2.145 2.873 . 0 0 "[ . 1 . 2]" 1
385 1 29 ASN H 1 29 ASN HB2 3.080 . 4.245 3.373 2.657 4.096 . 0 0 "[ . 1 . 2]" 1
386 1 29 ASN H 1 29 ASN HB3 2.804 . 3.768 3.291 2.450 4.126 0.358 9 0 "[ . 1 . 2]" 1
387 1 28 GLY H 1 29 ASN H 2.775 . 3.721 3.071 1.798 3.846 0.125 13 0 "[ . 1 . 2]" 1
388 1 30 THR H 1 30 THR HA 2.906 . 3.943 2.912 2.874 2.944 . 0 0 "[ . 1 . 2]" 1
389 1 30 THR H 1 30 THR HB 2.684 . 3.568 3.117 2.345 3.712 0.144 4 0 "[ . 1 . 2]" 1
390 1 29 ASN HB3 1 30 THR H 3.114 . 4.305 3.506 2.223 4.590 0.285 11 0 "[ . 1 . 2]" 1
391 1 30 THR H 1 30 THR MG 3.095 . 4.271 3.744 2.698 4.101 . 0 0 "[ . 1 . 2]" 1
392 1 27 SER H 1 30 THR H 3.043 . 4.181 4.130 3.396 4.434 0.253 12 0 "[ . 1 . 2]" 1
393 1 29 ASN H 1 30 THR H 2.480 . 3.233 2.325 1.698 3.243 0.025 7 0 "[ . 1 . 2]" 1
394 1 32 VAL H 1 32 VAL QG 2.565 . 3.372 2.403 1.730 3.075 0.012 14 0 "[ . 1 . 2]" 1
395 1 32 VAL H 1 33 GLY H 2.706 . 3.603 2.737 1.795 3.670 0.067 6 0 "[ . 1 . 2]" 1
396 1 32 VAL H 1 32 VAL HB 2.715 . 3.619 3.130 2.520 3.714 0.095 20 0 "[ . 1 . 2]" 1
397 1 32 VAL H 1 32 VAL HA 2.911 . 3.951 2.891 2.751 2.967 . 0 0 "[ . 1 . 2]" 1
398 1 31 ASN HA 1 32 VAL H 2.451 . 3.187 2.212 2.139 2.291 . 0 0 "[ . 1 . 2]" 1
399 1 33 GLY H 1 33 GLY HA3 2.542 . 3.333 2.852 2.401 2.947 . 0 0 "[ . 1 . 2]" 1
400 1 33 GLY H 1 33 GLY HA2 2.485 . 3.241 2.641 2.401 2.945 . 0 0 "[ . 1 . 2]" 1
401 1 33 GLY H 1 34 VAL H 3.111 . 4.300 3.836 2.240 4.370 0.070 12 0 "[ . 1 . 2]" 1
402 1 24 HIS HD1 1 33 GLY H 2.889 . 3.914 3.474 2.673 3.941 0.027 9 0 "[ . 1 . 2]" 1
403 1 34 VAL H 1 34 VAL QG 2.334 . 3.001 2.621 2.147 2.737 . 0 0 "[ . 1 . 2]" 1
404 1 34 VAL H 1 34 VAL HB 2.298 . 2.945 2.827 2.674 2.937 . 0 0 "[ . 1 . 2]" 1
405 1 33 GLY HA3 1 34 VAL H 2.419 . 3.136 2.755 2.136 3.564 0.428 19 0 "[ . 1 . 2]" 1
406 1 34 VAL QG 1 35 GLN H 2.546 . 3.340 3.026 1.500 3.321 0.236 18 0 "[ . 1 . 2]" 1
407 1 35 GLN H 1 35 GLN QG 3.052 . 4.196 3.717 3.280 3.933 . 0 0 "[ . 1 . 2]" 1
408 1 34 VAL HA 1 35 GLN H 2.257 . 2.881 2.280 2.066 2.848 . 0 0 "[ . 1 . 2]" 1
409 1 35 GLN H 1 35 GLN HA 2.923 . 3.972 2.900 2.808 2.950 . 0 0 "[ . 1 . 2]" 1
410 1 23 TYR H 1 35 GLN H 2.995 . 4.096 3.461 3.027 4.136 0.040 18 0 "[ . 1 . 2]" 1
411 1 36 TYR H 1 36 TYR QD 2.838 . 3.826 2.256 1.799 3.994 0.168 15 0 "[ . 1 . 2]" 1
412 1 35 GLN HA 1 36 TYR H 2.453 . 3.190 2.375 2.204 2.846 . 0 0 "[ . 1 . 2]" 1
413 1 36 TYR H 1 36 TYR HB2 3.014 . 4.129 3.375 2.413 3.774 . 0 0 "[ . 1 . 2]" 1
414 1 36 TYR H 1 36 TYR HB3 2.695 . 3.585 3.182 2.694 3.680 0.095 8 0 "[ . 1 . 2]" 1
415 1 35 GLN QG 1 36 TYR H 2.581 . 3.398 2.798 1.602 3.398 0.146 18 0 "[ . 1 . 2]" 1
416 1 36 TYR HA 1 37 LEU H 2.450 . 3.184 2.301 2.150 2.435 . 0 0 "[ . 1 . 2]" 1
417 1 37 LEU H 1 37 LEU HA 2.820 . 3.796 2.924 2.882 2.948 . 0 0 "[ . 1 . 2]" 1
418 1 36 TYR HB2 1 37 LEU H 2.916 . 3.960 2.961 2.269 4.025 0.065 8 0 "[ . 1 . 2]" 1
419 1 36 TYR HB3 1 37 LEU H 3.164 . 4.394 3.466 2.393 4.118 . 0 0 "[ . 1 . 2]" 1
420 1 37 LEU H 1 37 LEU HB3 2.878 . 3.895 3.037 2.421 3.788 . 0 0 "[ . 1 . 2]" 1
421 1 37 LEU HA 1 38 ASN H 2.426 . 3.147 2.239 2.097 2.701 . 0 0 "[ . 1 . 2]" 1
422 1 38 ASN H 1 38 ASN HA 2.919 . 3.965 2.907 2.823 2.931 . 0 0 "[ . 1 . 2]" 1
423 1 38 ASN H 1 38 ASN QB 2.866 . 3.637 2.643 2.349 2.967 . 0 0 "[ . 1 . 2]" 1
424 1 20 ILE MD 1 38 ASN H 2.879 . 3.896 3.799 3.368 3.974 0.078 9 0 "[ . 1 . 2]" 1
425 1 38 ASN HA 1 39 PHE H 2.402 . 3.109 2.370 2.108 2.545 . 0 0 "[ . 1 . 2]" 1
426 1 39 PHE H 1 39 PHE HA 2.884 . 3.905 2.834 2.768 2.901 . 0 0 "[ . 1 . 2]" 1
427 1 39 PHE H 1 39 PHE QB 2.579 . 3.395 2.161 1.982 2.333 . 0 0 "[ . 1 . 2]" 1
428 1 38 ASN QB 1 39 PHE H 2.637 . 3.096 2.405 1.895 2.814 . 0 0 "[ . 1 . 2]" 1
429 1 39 PHE H 1 39 PHE QD 2.997 . 4.100 4.030 3.678 4.208 0.108 18 0 "[ . 1 . 2]" 1
430 1 39 PHE HA 1 40 LYS H 2.447 . 3.181 2.527 2.090 3.379 0.198 6 0 "[ . 1 . 2]" 1
431 1 40 LYS H 1 40 LYS HA 2.391 . 3.091 2.703 2.219 2.946 . 0 0 "[ . 1 . 2]" 1
432 1 39 PHE QD 1 40 LYS H 2.713 . 3.616 3.307 2.488 3.717 0.101 13 0 "[ . 1 . 2]" 1
433 1 41 GLY H 1 41 GLY QA 2.550 . 3.059 2.416 2.217 2.495 . 0 0 "[ . 1 . 2]" 1
434 1 40 LYS HA 1 41 GLY H 3.032 . 4.160 3.341 2.103 3.577 . 0 0 "[ . 1 . 2]" 1
435 1 40 LYS H 1 41 GLY H 2.817 . 3.792 2.459 1.916 3.451 . 0 0 "[ . 1 . 2]" 1
436 1 42 THR H 1 44 ILE MD 2.976 . 4.062 3.918 3.587 4.161 0.099 7 0 "[ . 1 . 2]" 1
437 1 42 THR H 1 42 THR HB 2.799 . 3.761 3.556 3.432 3.754 . 0 0 "[ . 1 . 2]" 1
438 1 41 GLY QA 1 42 THR H 2.516 . 2.961 2.129 2.057 2.257 . 0 0 "[ . 1 . 2]" 1
439 1 42 THR H 1 42 THR HA 2.927 . 3.979 2.925 2.868 2.962 . 0 0 "[ . 1 . 2]" 1
440 1 41 GLY H 1 42 THR H 3.083 . 4.251 4.087 3.442 4.348 0.097 12 0 "[ . 1 . 2]" 1
441 1 42 THR H 1 42 THR MG 3.146 . 4.362 3.169 2.679 3.702 . 0 0 "[ . 1 . 2]" 1
442 1 43 ARG H 1 44 ILE HG13 2.747 . 3.673 3.770 3.720 3.818 0.145 11 0 "[ . 1 . 2]" 1
443 1 42 THR MG 1 43 ARG H 2.760 . 3.695 3.194 2.931 3.421 . 0 0 "[ . 1 . 2]" 1
444 1 43 ARG H 1 44 ILE MD 2.862 . 3.867 3.297 3.036 3.575 . 0 0 "[ . 1 . 2]" 1
445 1 42 THR HA 1 43 ARG H 2.307 . 2.958 2.319 2.198 2.460 . 0 0 "[ . 1 . 2]" 1
446 1 42 THR HB 1 43 ARG H 2.998 . 4.101 2.650 2.342 3.020 . 0 0 "[ . 1 . 2]" 1
447 1 44 ILE H 1 44 ILE HB 2.534 . 3.321 2.675 2.584 2.779 . 0 0 "[ . 1 . 2]" 1
448 1 44 ILE H 1 44 ILE HG13 2.709 . 3.610 3.412 3.297 3.547 . 0 0 "[ . 1 . 2]" 1
449 1 43 ARG HA 1 44 ILE H 2.280 . 2.917 2.173 2.108 2.199 . 0 0 "[ . 1 . 2]" 1
450 1 44 ILE H 1 44 ILE MD 3.192 . 4.466 2.218 2.052 2.399 . 0 0 "[ . 1 . 2]" 1
451 1 46 LYS H 1 46 LYS HB3 2.717 . 3.623 3.418 2.760 3.943 0.320 2 0 "[ . 1 . 2]" 1
452 1 9 ILE QG 1 46 LYS H 3.219 . 4.491 4.180 3.884 4.441 . 0 0 "[ . 1 . 2]" 1
453 1 45 ILE HA 1 46 LYS H 2.229 . 2.836 2.357 2.260 2.415 . 0 0 "[ . 1 . 2]" 1
454 1 46 LYS HB2 1 47 PHE H 3.007 . 4.116 2.875 2.013 4.132 0.016 14 0 "[ . 1 . 2]" 1
455 1 46 LYS HA 1 47 PHE H 2.251 . 2.870 2.257 2.057 2.528 . 0 0 "[ . 1 . 2]" 1
456 1 47 PHE HA 1 48 LYS H 2.364 . 3.048 2.290 2.071 2.684 . 0 0 "[ . 1 . 2]" 1
457 1 59 CYS H 1 73 VAL H 2.785 . 3.738 3.576 2.994 3.817 0.079 4 0 "[ . 1 . 2]" 1
458 1 60 LEU HA 1 73 VAL H 3.147 . 4.364 3.111 2.671 3.486 . 0 0 "[ . 1 . 2]" 1
459 1 26 ARG H 1 58 ASN H 2.927 . 3.979 2.690 1.885 4.122 0.143 6 0 "[ . 1 . 2]" 1
460 1 57 TRP HA 1 58 ASN H 2.515 . 3.289 2.267 2.051 2.639 . 0 0 "[ . 1 . 2]" 1
461 1 58 ASN H 1 58 ASN HB3 2.929 . 3.983 3.052 2.146 3.831 . 0 0 "[ . 1 . 2]" 1
462 1 48 LYS HA 1 49 ASP H 2.354 . 3.034 2.663 2.140 3.296 0.262 13 0 "[ . 1 . 2]" 1
463 1 49 ASP H 1 49 ASP HB2 2.725 . 3.636 3.092 2.302 3.687 0.051 7 0 "[ . 1 . 2]" 1
464 1 49 ASP H 1 49 ASP HB3 2.760 . 3.695 3.118 2.460 3.928 0.233 8 0 "[ . 1 . 2]" 1
465 1 50 ASP H 1 50 ASP HA 2.863 . 3.869 2.747 2.255 2.941 . 0 0 "[ . 1 . 2]" 1
466 1 49 ASP HA 1 50 ASP H 2.519 . 3.297 2.733 2.089 3.470 0.173 15 0 "[ . 1 . 2]" 1
467 1 49 ASP HB3 1 50 ASP H 3.118 . 4.312 3.482 2.105 4.590 0.278 1 0 "[ . 1 . 2]" 1
468 1 50 ASP H 1 51 GLY H 2.698 . 3.591 3.050 1.781 3.779 0.188 15 0 "[ . 1 . 2]" 1
469 1 51 GLY H 1 52 THR H 2.831 . 3.814 2.460 1.819 3.421 0.048 6 0 "[ . 1 . 2]" 1
470 1 51 GLY H 1 51 GLY HA3 2.636 . 3.488 2.604 2.288 2.940 . 0 0 "[ . 1 . 2]" 1
471 1 51 GLY H 1 51 GLY HA2 2.768 . 3.707 2.748 2.293 2.956 . 0 0 "[ . 1 . 2]" 1
472 1 52 THR H 1 52 THR MG 2.538 . 3.327 2.787 2.325 3.245 . 0 0 "[ . 1 . 2]" 1
473 1 52 THR H 1 52 THR HA 2.764 . 3.701 2.653 2.231 2.955 . 0 0 "[ . 1 . 2]" 1
474 1 50 ASP HA 1 52 THR H 2.783 . 3.733 3.639 3.075 3.991 0.258 17 0 "[ . 1 . 2]" 1
475 1 52 THR HA 1 53 GLU H 2.396 . 3.099 2.536 2.043 3.262 0.163 13 0 "[ . 1 . 2]" 1
476 1 52 THR HB 1 53 GLU H 2.351 . 3.028 2.345 1.614 3.102 0.074 19 0 "[ . 1 . 2]" 1
477 1 53 GLU H 1 53 GLU HA 2.706 . 3.605 2.822 2.233 2.940 . 0 0 "[ . 1 . 2]" 1
478 1 53 GLU H 1 53 GLU HB3 2.677 . 3.556 3.504 2.321 3.817 0.261 11 0 "[ . 1 . 2]" 1
479 1 53 GLU H 1 53 GLU HB2 2.548 . 3.343 2.589 2.366 3.401 0.058 11 0 "[ . 1 . 2]" 1
480 1 52 THR MG 1 53 GLU H 2.800 . 3.761 3.611 3.351 3.816 0.055 2 0 "[ . 1 . 2]" 1
481 1 52 THR HB 1 54 ARG H 2.779 . 3.727 3.357 2.349 3.875 0.148 9 0 "[ . 1 . 2]" 1
482 1 54 ARG H 1 54 ARG HA 2.841 . 3.831 2.866 2.722 2.930 . 0 0 "[ . 1 . 2]" 1
483 1 54 ARG H 1 54 ARG HB2 2.461 . 3.203 2.831 2.368 3.650 0.447 11 0 "[ . 1 . 2]" 1
484 1 54 ARG H 1 54 ARG HB3 2.864 . 3.871 3.000 2.320 3.659 . 0 0 "[ . 1 . 2]" 1
485 1 53 GLU H 1 54 ARG H 2.909 . 3.948 2.754 2.128 3.579 . 0 0 "[ . 1 . 2]" 1
486 1 55 SER H 1 55 SER HB3 3.045 . 4.185 3.664 2.685 4.091 . 0 0 "[ . 1 . 2]" 1
487 1 55 SER H 1 55 SER HA 2.527 . 3.309 2.709 2.234 2.947 . 0 0 "[ . 1 . 2]" 1
488 1 54 ARG HA 1 55 SER H 2.919 . 3.965 3.467 3.177 3.630 . 0 0 "[ . 1 . 2]" 1
489 1 54 ARG H 1 55 SER H 2.696 . 3.588 2.574 2.196 3.181 . 0 0 "[ . 1 . 2]" 1
490 1 55 SER H 1 56 ARG QB 3.180 . 4.422 4.108 3.232 4.455 0.033 6 0 "[ . 1 . 2]" 1
491 1 54 ARG HB2 1 55 SER H 3.300 . 4.638 3.464 2.186 4.398 . 0 0 "[ . 1 . 2]" 1
492 1 54 ARG HB3 1 55 SER H 3.103 . 4.285 3.475 2.403 4.332 0.047 20 0 "[ . 1 . 2]" 1
493 1 58 ASN HB2 1 59 CYS H 2.996 . 4.098 3.815 2.238 4.415 0.317 13 0 "[ . 1 . 2]" 1
494 1 62 ARG HA 1 63 GLN H 2.637 . 3.490 2.357 2.077 2.683 . 0 0 "[ . 1 . 2]" 1
495 1 63 GLN HA 1 64 GLY H 2.639 . 3.493 2.894 2.144 3.554 0.061 13 0 "[ . 1 . 2]" 1
496 1 64 GLY QA 1 65 ILE H 2.629 . 3.477 2.212 1.986 2.825 . 0 0 "[ . 1 . 2]" 1
497 1 65 ILE H 1 65 ILE HB 2.607 . 3.440 3.238 2.494 3.571 0.131 2 0 "[ . 1 . 2]" 1
498 1 65 ILE H 1 65 ILE MG 2.910 . 3.950 2.348 1.828 3.449 0.023 20 0 "[ . 1 . 2]" 1
499 1 69 PHE H 1 69 PHE QB 2.989 . 4.087 3.043 2.112 3.393 . 0 0 "[ . 1 . 2]" 1
500 1 69 PHE HA 1 70 PHE H 2.449 . 3.184 2.601 2.110 3.443 0.259 14 0 "[ . 1 . 2]" 1
501 1 70 PHE H 1 70 PHE QD 3.044 . 4.183 4.132 2.979 4.380 0.197 16 0 "[ . 1 . 2]" 1
502 1 70 PHE H 1 114 ARG H 2.989 . 4.106 3.479 1.817 4.370 0.264 14 0 "[ . 1 . 2]" 1
503 1 71 THR H 1 71 THR MG 2.660 . 3.528 3.090 2.141 3.608 0.080 2 0 "[ . 1 . 2]" 1
504 1 70 PHE QB 1 71 THR H 2.792 . 3.748 3.126 2.329 3.462 . 0 0 "[ . 1 . 2]" 1
505 1 70 PHE HA 1 71 THR H 2.492 . 3.254 2.259 1.990 2.671 . 0 0 "[ . 1 . 2]" 1
506 1 71 THR H 1 71 THR HA 2.974 . 4.061 2.830 2.705 2.940 . 0 0 "[ . 1 . 2]" 1
507 1 70 PHE QD 1 71 THR H 3.118 . 4.312 2.729 1.898 3.163 0.005 11 0 "[ . 1 . 2]" 1
508 1 61 PHE H 1 71 THR H 2.906 . 3.944 2.767 2.101 3.499 . 0 0 "[ . 1 . 2]" 1
509 1 72 GLU H 1 72 GLU HB3 2.747 . 3.673 2.707 2.356 3.188 . 0 0 "[ . 1 . 2]" 1
510 1 73 VAL HA 1 74 GLU H 2.175 . 2.754 2.219 2.099 2.468 . 0 0 "[ . 1 . 2]" 1
511 1 74 GLU H 1 74 GLU HB3 2.636 . 3.488 3.438 2.562 3.592 0.104 15 0 "[ . 1 . 2]" 1
512 1 73 VAL QG 1 74 GLU H 3.158 . 3.968 2.708 2.025 3.168 . 0 0 "[ . 1 . 2]" 1
513 1 58 ASN HA 1 75 ALA H 2.880 . 3.898 2.072 1.714 3.954 0.129 4 0 "[ . 1 . 2]" 1
514 1 75 ALA H 1 75 ALA MB 2.536 . 3.324 2.271 2.081 2.674 . 0 0 "[ . 1 . 2]" 1
515 1 76 TYR H 1 76 TYR HA 2.907 . 3.944 2.876 2.792 2.947 . 0 0 "[ . 1 . 2]" 1
516 1 75 ALA HA 1 76 TYR H 3.071 . 4.229 3.428 2.398 3.642 . 0 0 "[ . 1 . 2]" 1
517 1 75 ALA MB 1 76 TYR H 2.660 . 3.528 2.482 1.939 3.628 0.100 9 0 "[ . 1 . 2]" 1
518 1 75 ALA H 1 76 TYR H 2.483 . 3.238 2.723 2.048 3.291 0.053 9 0 "[ . 1 . 2]" 1
519 1 76 TYR HA 1 77 ARG H 2.236 . 2.847 2.261 2.031 2.803 . 0 0 "[ . 1 . 2]" 1
520 1 79 ASP H 1 79 ASP HA 2.960 . 4.036 2.887 2.745 2.940 . 0 0 "[ . 1 . 2]" 1
521 1 78 PRO HA 1 79 ASP H 2.491 . 3.250 2.622 2.132 3.420 0.170 16 0 "[ . 1 . 2]" 1
522 1 79 ASP H 1 79 ASP QB 2.935 . 3.993 2.332 2.192 2.600 . 0 0 "[ . 1 . 2]" 1
523 1 78 PRO HB2 1 79 ASP H 3.018 . 4.137 3.723 1.970 4.260 0.123 11 0 "[ . 1 . 2]" 1
524 1 79 ASP HA 1 80 LEU H 2.230 . 2.839 2.343 2.153 2.797 . 0 0 "[ . 1 . 2]" 1
525 1 80 LEU H 1 80 LEU HA 2.701 . 3.596 2.807 2.475 2.900 . 0 0 "[ . 1 . 2]" 1
526 1 80 LEU H 1 80 LEU HB2 2.269 . 2.899 2.625 2.175 3.620 0.721 12 2 "[ . 1 + . - 2]" 1
527 1 80 LEU H 1 80 LEU HB3 2.748 . 3.674 2.796 2.500 3.678 0.004 10 0 "[ . 1 . 2]" 1
528 1 81 LYS H 1 81 LYS HA 2.495 . 3.259 2.885 2.783 2.917 . 0 0 "[ . 1 . 2]" 1
529 1 80 LEU HA 1 81 LYS H 2.424 . 3.143 3.305 3.125 3.465 0.322 16 0 "[ . 1 . 2]" 1
530 1 81 LYS HA 1 82 HIS H 2.931 . 3.986 3.390 2.996 3.589 . 0 0 "[ . 1 . 2]" 1
531 1 82 HIS H 1 82 HIS HB3 3.027 . 4.153 3.366 2.266 3.699 . 0 0 "[ . 1 . 2]" 1
532 1 81 LYS H 1 82 HIS H 2.636 . 3.488 2.431 2.227 2.785 . 0 0 "[ . 1 . 2]" 1
533 1 84 LEU H 1 84 LEU QB 2.926 . 3.977 2.891 2.298 3.498 . 0 0 "[ . 1 . 2]" 1
534 1 83 PRO HA 1 84 LEU H 2.476 . 3.228 2.152 2.031 2.514 . 0 0 "[ . 1 . 2]" 1
535 1 84 LEU H 1 84 LEU HA 2.750 . 3.678 2.744 2.242 2.943 . 0 0 "[ . 1 . 2]" 1
536 1 85 CYS H 1 85 CYS QB 3.032 . 3.509 2.956 2.282 3.398 . 0 0 "[ . 1 . 2]" 1
537 1 84 LEU QB 1 85 CYS H 2.949 . 3.460 2.302 1.653 3.323 0.209 1 0 "[ . 1 . 2]" 1
538 1 85 CYS HA 1 86 GLY H 2.374 . 3.064 3.234 2.426 3.407 0.343 13 0 "[ . 1 . 2]" 1
539 1 86 GLY H 1 86 GLY HA2 2.597 . 3.423 2.908 2.575 2.958 . 0 0 "[ . 1 . 2]" 1
540 1 86 GLY H 1 86 GLY HA3 2.563 . 3.368 2.389 2.303 2.453 . 0 0 "[ . 1 . 2]" 1
541 1 85 CYS QB 1 86 GLY H 3.008 . 4.120 2.872 1.654 3.779 0.223 1 0 "[ . 1 . 2]" 1
542 1 7 ILE MD 1 87 LYS H 2.949 . 4.017 3.040 2.260 4.384 0.367 19 0 "[ . 1 . 2]" 1
543 1 87 LYS HA 1 88 ARG H 2.211 . 2.809 2.398 1.990 3.071 0.262 20 0 "[ . 1 . 2]" 1
544 1 88 ARG HA 1 89 TYR H 2.299 . 2.946 2.272 2.148 2.521 . 0 0 "[ . 1 . 2]" 1
545 1 89 TYR H 1 89 TYR HB2 3.065 . 4.218 2.763 2.341 3.799 . 0 0 "[ . 1 . 2]" 1
546 1 89 TYR H 1 89 TYR HB3 2.948 . 4.015 3.578 2.957 4.067 0.052 11 0 "[ . 1 . 2]" 1
547 1 90 GLU H 1 90 GLU HB2 2.700 . 3.594 3.204 2.867 3.572 . 0 0 "[ . 1 . 2]" 1
548 1 90 GLU H 1 90 GLU HB3 2.936 . 3.994 2.469 2.115 3.053 . 0 0 "[ . 1 . 2]" 1
549 1 90 GLU H 1 90 GLU QG 3.095 . 4.273 3.885 3.753 4.131 . 0 0 "[ . 1 . 2]" 1
550 1 89 TYR HA 1 90 GLU H 2.299 . 2.946 2.302 2.077 2.798 . 0 0 "[ . 1 . 2]" 1
551 1 90 GLU H 1 101 LYS H 3.084 . 4.253 3.469 2.632 4.273 0.020 17 0 "[ . 1 . 2]" 1
552 1 91 LEU H 1 91 LEU HB2 3.159 . 4.385 3.121 2.757 3.511 . 0 0 "[ . 1 . 2]" 1
553 1 92 SER H 1 92 SER HA 2.942 . 4.005 2.929 2.912 2.942 . 0 0 "[ . 1 . 2]" 1
554 1 13 ASN HA 1 93 ALA H 2.877 . 3.893 2.435 1.823 3.710 0.019 12 0 "[ . 1 . 2]" 1
555 1 93 ALA H 1 93 ALA HA 2.824 . 3.802 2.891 2.867 2.925 . 0 0 "[ . 1 . 2]" 1
556 1 56 ARG HA 1 57 TRP H 2.469 . 3.216 2.631 2.009 3.478 0.262 7 0 "[ . 1 . 2]" 1
557 1 57 TRP H 1 57 TRP QB 2.810 . 3.778 2.768 2.341 3.313 . 0 0 "[ . 1 . 2]" 1
558 1 57 TRP H 1 76 TYR H 3.057 . 4.205 4.042 2.886 4.498 0.293 16 0 "[ . 1 . 2]" 1
559 1 93 ALA HA 1 94 ARG H 2.157 . 2.726 2.090 2.029 2.295 . 0 0 "[ . 1 . 2]" 1
560 1 94 ARG H 1 94 ARG QB 3.129 . 4.332 2.730 2.354 3.395 . 0 0 "[ . 1 . 2]" 1
561 1 95 MET H 1 95 MET HA 2.825 . 3.804 2.446 2.202 2.620 . 0 0 "[ . 1 . 2]" 1
562 1 15 LEU HA 1 95 MET H 3.135 . 4.342 2.407 1.778 4.389 0.129 19 0 "[ . 1 . 2]" 1
563 1 95 MET H 1 95 MET QG 2.584 . 3.402 1.942 1.595 3.346 0.154 13 0 "[ . 1 . 2]" 1
564 1 94 ARG QB 1 95 MET H 3.051 . 3.622 2.675 1.755 3.500 0.132 14 0 "[ . 1 . 2]" 1
565 1 95 MET H 1 95 MET HB2 2.665 . 3.536 3.151 2.163 3.586 0.050 17 0 "[ . 1 . 2]" 1
566 1 95 MET H 1 95 MET HB3 2.864 . 3.870 3.555 3.361 3.930 0.060 14 0 "[ . 1 . 2]" 1
567 1 96 ASP H 1 96 ASP HA 2.701 . 3.596 2.805 2.219 2.954 . 0 0 "[ . 1 . 2]" 1
568 1 96 ASP H 1 96 ASP HB3 2.814 . 3.785 3.138 2.290 4.018 0.233 17 0 "[ . 1 . 2]" 1
569 1 96 ASP H 1 96 ASP HB2 2.830 . 3.813 2.934 2.372 3.781 . 0 0 "[ . 1 . 2]" 1
570 1 94 ARG QB 1 96 ASP H 3.163 . 3.851 3.143 2.584 3.788 . 0 0 "[ . 1 . 2]" 1
571 1 95 MET HB2 1 96 ASP H 3.056 . 4.223 2.538 1.952 4.109 . 0 0 "[ . 1 . 2]" 1
572 1 97 ALA H 1 97 ALA HA 2.756 . 3.687 2.812 2.282 2.944 . 0 0 "[ . 1 . 2]" 1
573 1 94 ARG QB 1 97 ALA H 2.907 . 3.944 3.380 2.441 3.895 . 0 0 "[ . 1 . 2]" 1
574 1 97 ALA H 1 97 ALA MB 2.660 . 3.528 2.755 2.517 3.159 . 0 0 "[ . 1 . 2]" 1
575 1 97 ALA H 1 113 TRP HE1 2.805 . 3.770 3.545 2.450 3.922 0.152 6 0 "[ . 1 . 2]" 1
576 1 94 ARG H 1 97 ALA H 3.155 . 4.378 3.800 3.047 4.381 0.003 11 0 "[ . 1 . 2]" 1
577 1 98 ILE H 1 98 ILE HB 2.443 . 3.174 2.367 2.170 2.538 . 0 0 "[ . 1 . 2]" 1
578 1 98 ILE H 1 98 ILE HG12 2.895 . 3.923 2.752 2.509 3.402 . 0 0 "[ . 1 . 2]" 1
579 1 98 ILE H 1 98 ILE MG 2.805 . 3.770 3.725 3.626 3.764 . 0 0 "[ . 1 . 2]" 1
580 1 99 TYR H 1 99 TYR QB 3.084 . 3.653 2.346 2.037 2.852 . 0 0 "[ . 1 . 2]" 1
581 1 99 TYR HA 1 100 PHE H 2.450 . 3.184 2.237 2.112 2.585 . 0 0 "[ . 1 . 2]" 1
582 1 99 TYR QB 1 100 PHE H 3.156 . 4.380 2.918 1.754 3.836 0.157 14 0 "[ . 1 . 2]" 1
583 1 100 PHE HA 1 101 LYS H 2.317 . 2.974 2.331 2.150 3.164 0.190 12 0 "[ . 1 . 2]" 1
584 1 101 LYS H 1 101 LYS QB 2.889 . 3.914 2.635 2.277 3.174 . 0 0 "[ . 1 . 2]" 1
585 1 102 MET H 1 102 MET HB3 3.108 . 4.294 3.061 2.315 3.880 . 0 0 "[ . 1 . 2]" 1
586 1 101 LYS QB 1 102 MET H 2.943 . 4.006 3.373 2.597 3.760 . 0 0 "[ . 1 . 2]" 1
587 1 102 MET H 1 102 MET HA 2.973 . 4.057 2.894 2.729 2.950 . 0 0 "[ . 1 . 2]" 1
588 1 101 LYS HA 1 102 MET H 2.314 . 2.969 2.158 1.956 2.507 . 0 0 "[ . 1 . 2]" 1
589 1 104 GLU H 1 104 GLU HB2 2.655 . 3.520 3.305 2.406 3.824 0.304 2 0 "[ . 1 . 2]" 1
590 1 104 GLU H 1 104 GLU HB3 2.792 . 3.748 3.263 2.335 3.801 0.053 6 0 "[ . 1 . 2]" 1
591 1 103 ASP HA 1 104 GLU H 2.745 . 3.670 2.454 1.991 2.856 . 0 0 "[ . 1 . 2]" 1
592 1 104 GLU H 1 104 GLU HA 2.838 . 3.826 2.533 2.212 2.926 . 0 0 "[ . 1 . 2]" 1
593 1 104 GLU HA 1 105 ARG H 3.083 . 4.251 3.357 2.515 3.556 . 0 0 "[ . 1 . 2]" 1
594 1 105 ARG H 1 105 ARG HB2 2.414 . 3.128 3.182 2.369 4.088 0.960 20 8 "[-* *** *1 . *+]" 1
595 1 109 PRO HA 1 110 LEU H 2.382 . 3.077 2.207 2.143 2.260 . 0 0 "[ . 1 . 2]" 1
596 1 99 TYR HA 1 110 LEU H 2.781 . 3.729 2.648 1.977 3.616 . 0 0 "[ . 1 . 2]" 1
597 1 97 ALA MB 1 110 LEU H 3.173 . 4.410 3.619 3.350 4.001 . 0 0 "[ . 1 . 2]" 1
598 1 109 PRO QB 1 110 LEU H 3.321 . 4.676 3.587 3.344 3.744 . 0 0 "[ . 1 . 2]" 1
599 1 110 LEU H 1 111 ASN H 2.579 . 3.394 1.951 1.761 2.580 0.012 1 0 "[ . 1 . 2]" 1
600 1 98 ILE H 1 111 ASN H 2.866 . 3.875 3.166 2.715 3.339 . 0 0 "[ . 1 . 2]" 1
601 1 111 ASN H 1 111 ASN HB2 2.731 . 3.646 2.998 2.708 3.422 . 0 0 "[ . 1 . 2]" 1
602 1 98 ILE MG 1 111 ASN H 2.828 . 3.809 3.782 3.393 3.904 0.095 18 0 "[ . 1 . 2]" 1
603 1 114 ARG HA 1 115 SER H 2.188 . 2.774 2.460 1.930 3.123 0.349 10 0 "[ . 1 . 2]" 1
604 1 114 ARG QB 1 115 SER H 2.411 . 3.123 2.313 1.584 3.080 0.159 3 0 "[ . 1 . 2]" 1
605 1 12 LYS HB2 1 13 ASN H 3.126 . 4.328 4.157 3.808 4.476 0.148 18 0 "[ . 1 . 2]" 1
606 1 18 SER H 1 18 SER HG 2.688 . 3.574 3.023 2.505 3.608 0.034 11 0 "[ . 1 . 2]" 1
607 1 26 ARG H 1 26 ARG HA 2.888 . 3.911 2.891 2.817 2.942 . 0 0 "[ . 1 . 2]" 1
608 1 29 ASN HA 1 30 THR H 3.223 . 4.500 3.328 2.796 3.611 . 0 0 "[ . 1 . 2]" 1
609 1 29 ASN HB2 1 30 THR H 3.416 . 4.850 4.034 2.570 4.652 . 0 0 "[ . 1 . 2]" 1
610 1 26 ARG HA 1 32 VAL H 2.959 . 4.034 3.620 2.327 4.346 0.312 18 0 "[ . 1 . 2]" 1
611 1 37 LEU H 1 37 LEU HB2 3.159 . 4.385 3.063 2.464 3.931 . 0 0 "[ . 1 . 2]" 1
612 1 30 THR HA 1 31 ASN H 2.365 . 3.050 2.217 2.111 2.439 . 0 0 "[ . 1 . 2]" 1
613 1 30 THR MG 1 31 ASN H 2.701 . 3.595 2.944 1.970 3.681 0.086 7 0 "[ . 1 . 2]" 1
614 1 55 SER H 1 56 ARG H 2.619 . 3.460 2.997 1.731 3.583 0.123 9 0 "[ . 1 . 2]" 1
615 1 56 ARG H 1 56 ARG QB 2.415 . 3.128 2.803 2.338 3.086 . 0 0 "[ . 1 . 2]" 1
616 1 59 CYS HA 1 60 LEU H 2.369 . 3.056 2.231 2.153 2.342 . 0 0 "[ . 1 . 2]" 1
617 1 60 LEU H 1 60 LEU HA 2.954 . 4.026 2.936 2.924 2.946 . 0 0 "[ . 1 . 2]" 1
618 1 60 LEU H 1 60 LEU QB 2.738 . 3.658 2.552 2.452 2.682 . 0 0 "[ . 1 . 2]" 1
619 1 86 GLY H 1 87 LYS H 3.066 . 4.220 2.724 2.292 3.667 . 0 0 "[ . 1 . 2]" 1
620 1 111 ASN H 1 111 ASN HB3 3.131 . 4.335 3.591 3.131 3.880 . 0 0 "[ . 1 . 2]" 1
621 1 112 LYS HA 1 113 TRP H 2.255 . 2.877 2.102 1.992 2.192 . 0 0 "[ . 1 . 2]" 1
622 1 97 ALA HA 1 113 TRP H 3.055 . 4.202 3.216 2.774 3.641 . 0 0 "[ . 1 . 2]" 1
623 1 111 ASN HB3 1 112 LYS H 2.880 . 3.898 2.656 2.051 4.086 0.188 3 0 "[ . 1 . 2]" 1
624 1 4 CYS H 1 4 CYS HA 2.346 . 3.020 2.787 2.248 2.946 . 0 0 "[ . 1 . 2]" 1
625 1 6 GLU HA 1 7 ILE H 2.375 . 3.066 2.179 2.099 2.618 . 0 0 "[ . 1 . 2]" 1
626 1 7 ILE H 1 7 ILE HB 2.665 . 3.536 2.596 2.252 3.974 0.438 19 0 "[ . 1 . 2]" 1
627 1 113 TRP HA 1 114 ARG H 2.404 . 3.112 2.349 1.985 2.633 . 0 0 "[ . 1 . 2]" 1
628 1 9 ILE H 1 9 ILE HB 2.582 . 3.399 3.232 2.707 3.603 0.204 13 0 "[ . 1 . 2]" 1
629 1 9 ILE H 1 9 ILE MG 2.811 . 3.780 3.607 2.965 3.871 0.091 11 0 "[ . 1 . 2]" 1
630 1 9 ILE H 1 9 ILE QG 3.059 . 4.209 1.900 1.580 3.088 0.309 18 0 "[ . 1 . 2]" 1
631 1 91 LEU HB3 1 92 SER H 3.242 . 4.533 3.421 2.718 3.902 . 0 0 "[ . 1 . 2]" 1
632 1 89 TYR HB2 1 90 GLU H 3.146 . 4.362 3.943 2.485 4.678 0.316 14 0 "[ . 1 . 2]" 1
633 1 25 CYS H 1 25 CYS HB2 3.200 . 4.458 2.486 2.205 2.799 . 0 0 "[ . 1 . 2]" 1
634 1 25 CYS H 1 25 CYS HB3 3.133 . 4.338 3.134 2.835 3.703 . 0 0 "[ . 1 . 2]" 1
635 1 25 CYS H 1 59 CYS QB 3.157 . 4.403 4.217 2.880 4.489 0.086 4 0 "[ . 1 . 2]" 1
636 1 31 ASN H 1 31 ASN HB3 2.984 . 4.078 3.126 2.328 3.795 . 0 0 "[ . 1 . 2]" 1
637 1 31 ASN H 1 31 ASN HB2 2.981 . 4.073 2.946 2.373 3.914 . 0 0 "[ . 1 . 2]" 1
638 1 37 LEU HB3 1 38 ASN H 3.280 . 4.603 3.729 2.705 4.445 . 0 0 "[ . 1 . 2]" 1
639 1 56 ARG QB 1 57 TRP H 3.108 . 4.294 2.674 1.671 3.852 0.229 15 0 "[ . 1 . 2]" 1
640 1 24 HIS H 1 60 LEU H 3.003 . 4.111 2.173 1.883 2.645 0.040 13 0 "[ . 1 . 2]" 1
641 1 97 ALA HA 1 113 TRP HE1 2.907 . 3.945 3.415 2.803 4.013 0.068 17 0 "[ . 1 . 2]" 1
642 1 15 LEU QD 1 113 TRP HE1 2.975 . 4.062 3.184 2.384 4.040 . 0 0 "[ . 1 . 2]" 1
643 1 61 PHE H 1 61 PHE QB 2.915 . 3.958 2.407 2.243 2.578 . 0 0 "[ . 1 . 2]" 1
644 1 25 CYS HA 1 60 LEU H 2.820 . 3.795 3.500 3.217 3.856 0.061 6 0 "[ . 1 . 2]" 1
645 1 61 PHE H 1 61 PHE QD 3.313 . 4.662 2.602 2.200 3.579 . 0 0 "[ . 1 . 2]" 1
646 1 72 GLU H 1 72 GLU HB2 2.855 . 3.855 3.227 2.887 3.746 . 0 0 "[ . 1 . 2]" 1
647 1 70 PHE QE 1 71 THR H 3.229 . 4.511 4.139 3.731 4.771 0.260 18 0 "[ . 1 . 2]" 1
648 1 7 ILE H 1 47 PHE H 2.971 . 4.055 3.575 2.719 4.090 0.035 1 0 "[ . 1 . 2]" 1
649 1 47 PHE QD 1 57 TRP HE1 2.350 . 3.026 3.079 2.430 3.311 0.285 5 0 "[ . 1 . 2]" 1
650 1 24 HIS HD1 1 25 CYS H 3.227 . 4.505 2.613 2.230 2.988 . 0 0 "[ . 1 . 2]" 1
651 1 93 ALA H 1 94 ARG H 3.385 . 4.794 4.212 3.966 4.512 . 0 0 "[ . 1 . 2]" 1
652 1 9 ILE H 1 45 ILE H 2.867 . 3.877 3.094 2.571 3.821 . 0 0 "[ . 1 . 2]" 1
653 1 11 ILE H 1 43 ARG H 2.921 . 3.968 2.756 2.270 3.237 . 0 0 "[ . 1 . 2]" 1
654 1 43 ARG H 1 43 ARG QB 3.120 . 4.316 2.538 2.450 2.614 . 0 0 "[ . 1 . 2]" 1
655 1 114 ARG H 1 114 ARG QB 3.022 . 4.005 2.649 2.217 3.064 . 0 0 "[ . 1 . 2]" 1
656 1 112 LYS H 1 113 TRP H 3.331 . 4.696 4.222 4.012 4.519 . 0 0 "[ . 1 . 2]" 1
657 1 60 LEU HA 1 71 THR H 3.575 . 5.146 4.409 3.656 5.219 0.073 18 0 "[ . 1 . 2]" 1
658 1 58 ASN H 1 58 ASN HB2 3.221 . 4.496 3.302 2.635 3.949 . 0 0 "[ . 1 . 2]" 1
659 1 57 TRP QB 1 58 ASN H 3.246 . 4.358 3.014 2.015 3.675 . 0 0 "[ . 1 . 2]" 1
660 1 61 PHE QB 1 62 ARG H 3.192 . 4.444 3.216 2.874 3.428 . 0 0 "[ . 1 . 2]" 1
661 1 60 LEU H 1 61 PHE HA 3.155 . 4.378 4.526 4.472 4.558 0.180 11 0 "[ . 1 . 2]" 1
662 1 7 ILE H 1 7 ILE MG 3.212 . 4.480 3.775 3.617 3.964 . 0 0 "[ . 1 . 2]" 1
663 1 7 ILE H 1 7 ILE MD 3.113 . 4.303 2.980 1.828 4.025 0.074 19 0 "[ . 1 . 2]" 1
664 1 7 ILE H 1 7 ILE QG 3.177 . 3.891 2.588 2.141 3.749 . 0 0 "[ . 1 . 2]" 1
665 1 13 ASN H 1 42 THR HA 3.294 . 4.628 4.238 3.586 4.542 . 0 0 "[ . 1 . 2]" 1
666 1 40 LYS QB 1 41 GLY H 3.364 . 4.755 2.848 1.990 3.806 . 0 0 "[ . 1 . 2]" 1
667 1 7 ILE H 1 48 LYS HA 2.515 . 3.306 3.029 2.079 3.885 0.579 19 1 "[ . 1 . +2]" 1
668 1 44 ILE HG12 1 45 ILE H 3.459 . 4.930 5.034 4.985 5.110 0.180 7 0 "[ . 1 . 2]" 1
669 1 52 THR MG 1 54 ARG H 3.350 . 4.731 4.570 3.860 4.855 0.124 9 0 "[ . 1 . 2]" 1
670 1 113 TRP QB 1 114 ARG H 2.965 . 4.045 2.569 1.900 3.654 0.037 1 0 "[ . 1 . 2]" 1
671 1 92 SER H 1 99 TYR H 3.119 . 4.314 2.567 1.970 2.912 . 0 0 "[ . 1 . 2]" 1
672 1 9 ILE HA 1 89 TYR H 3.274 . 4.614 3.924 2.519 5.075 0.461 11 0 "[ . 1 . 2]" 1
673 1 98 ILE H 1 98 ILE MD 3.115 . 4.307 4.005 3.822 4.412 0.105 17 0 "[ . 1 . 2]" 1
674 1 95 MET H 1 96 ASP H 3.192 . 4.443 3.353 2.810 3.858 . 0 0 "[ . 1 . 2]" 1
675 1 15 LEU QD 1 95 MET H 3.174 . 4.412 2.272 1.675 2.549 0.240 18 0 "[ . 1 . 2]" 1
676 1 80 LEU H 1 81 LYS H 3.115 . 4.308 2.582 2.109 3.552 . 0 0 "[ . 1 . 2]" 1
677 1 83 PRO HB3 1 84 LEU H 3.134 . 4.341 3.926 3.418 4.296 . 0 0 "[ . 1 . 2]" 1
678 1 10 VAL H 1 89 TYR H 3.217 . 4.489 4.389 3.526 4.702 0.213 11 0 "[ . 1 . 2]" 1
679 1 23 TYR HB2 1 24 HIS H 3.177 . 4.417 3.074 2.688 3.657 . 0 0 "[ . 1 . 2]" 1
680 1 20 ILE MD 1 37 LEU H 3.252 . 4.552 4.491 3.857 4.656 0.104 18 0 "[ . 1 . 2]" 1
681 1 24 HIS QB 1 60 LEU H 3.180 . 4.315 3.056 2.806 3.195 . 0 0 "[ . 1 . 2]" 1
682 1 21 LEU QB 1 62 ARG H 3.079 . 4.243 3.983 3.023 4.230 . 0 0 "[ . 1 . 2]" 1
683 1 14 THR H 1 19 ARG QB 3.189 . 4.460 3.851 3.343 4.337 . 0 0 "[ . 1 . 2]" 1
684 1 17 PRO HB2 1 18 SER H 3.276 . 4.596 3.752 2.900 4.170 . 0 0 "[ . 1 . 2]" 1
685 1 17 PRO HB3 1 18 SER H 3.186 . 4.433 3.711 3.316 4.458 0.025 8 0 "[ . 1 . 2]" 1
686 1 110 LEU HB3 1 111 ASN H 2.652 . 3.514 3.424 2.753 3.676 0.162 7 0 "[ . 1 . 2]" 1
687 1 45 ILE HB 1 45 ILE HG13 1.892 . 2.339 2.448 2.231 2.659 0.320 12 0 "[ . 1 . 2]" 1
688 1 45 ILE HG13 1 45 ILE MG 2.257 . 2.894 3.124 3.044 3.160 0.266 8 0 "[ . 1 . 2]" 1
689 1 45 ILE MD 1 45 ILE HG13 1.876 . 2.316 2.086 2.074 2.108 . 0 0 "[ . 1 . 2]" 1
690 1 11 ILE MD 1 11 ILE MG 1.846 . 2.236 2.035 1.769 2.280 0.044 18 0 "[ . 1 . 2]" 1
691 1 11 ILE HG13 1 11 ILE MG 2.074 . 2.569 2.265 2.158 2.389 . 0 0 "[ . 1 . 2]" 1
692 1 11 ILE H 1 11 ILE MG 2.846 . 3.793 3.774 3.680 3.831 0.038 12 0 "[ . 1 . 2]" 1
693 1 11 ILE MG 1 61 PHE QD 2.846 . 3.794 3.996 3.796 4.083 0.289 8 0 "[ . 1 . 2]" 1
694 1 11 ILE MG 1 23 TYR QD 3.064 . 4.165 2.613 1.977 3.164 . 0 0 "[ . 1 . 2]" 1
695 1 11 ILE MG 1 23 TYR QE 3.116 . 4.257 3.478 3.078 3.875 . 0 0 "[ . 1 . 2]" 1
696 1 11 ILE HA 1 11 ILE MG 2.150 . 2.684 2.444 2.344 2.558 . 0 0 "[ . 1 . 2]" 1
697 1 91 LEU HB2 1 98 ILE MG 2.398 . 3.066 3.225 2.658 3.421 0.355 11 0 "[ . 1 . 2]" 1
698 1 91 LEU HB3 1 98 ILE MG 2.497 . 3.223 2.751 2.179 3.283 0.060 7 0 "[ . 1 . 2]" 1
699 1 91 LEU HA 1 98 ILE MG 2.853 . 3.806 3.639 3.408 3.889 0.083 3 0 "[ . 1 . 2]" 1
700 1 61 PHE QE 1 98 ILE MG 2.601 . 3.389 3.349 2.787 3.670 0.281 13 0 "[ . 1 . 2]" 1
701 1 44 ILE HA 1 44 ILE MG 2.158 . 2.696 2.370 2.327 2.408 . 0 0 "[ . 1 . 2]" 1
702 1 44 ILE HB 1 44 ILE MG 1.821 . 2.236 2.131 2.126 2.136 . 0 0 "[ . 1 . 2]" 1
703 1 44 ILE HG13 1 44 ILE MG 1.855 . 2.285 2.562 2.531 2.602 0.317 17 0 "[ . 1 . 2]" 1
704 1 20 ILE MG 1 36 TYR HB3 2.454 . 3.154 2.827 1.953 3.300 0.146 13 0 "[ . 1 . 2]" 1
705 1 20 ILE MG 1 21 LEU HA 3.039 . 4.123 3.708 2.995 3.985 . 0 0 "[ . 1 . 2]" 1
706 1 15 LEU QD 1 94 ARG HA 2.322 . 2.996 2.415 1.973 3.332 0.336 17 0 "[ . 1 . 2]" 1
707 1 71 THR MG 1 111 ASN HB3 2.412 . 3.087 3.176 2.961 3.601 0.514 12 1 "[ . 1 + . 2]" 1
708 1 71 THR MG 1 98 ILE HB 2.488 . 3.262 3.398 2.949 3.519 0.257 5 0 "[ . 1 . 2]" 1
709 1 61 PHE QE 1 71 THR MG 2.691 . 3.536 3.742 3.584 3.985 0.449 13 0 "[ . 1 . 2]" 1
710 1 22 GLN QG 1 34 VAL QG 2.221 . 2.791 2.237 1.817 2.990 0.199 18 0 "[ . 1 . 2]" 1
711 1 24 HIS QB 1 34 VAL QG 2.759 . 2.831 1.991 1.718 2.611 0.090 2 0 "[ . 1 . 2]" 1
712 1 10 VAL QG 1 90 GLU HA 2.706 . 3.475 2.004 1.734 3.563 0.088 3 0 "[ . 1 . 2]" 1
713 1 10 VAL QG 1 42 THR HB 2.648 . 3.466 2.707 2.055 3.429 . 0 0 "[ . 1 . 2]" 1
714 1 10 VAL QG 1 90 GLU QG 2.385 . 3.096 1.954 1.709 2.957 . 0 0 "[ . 1 . 2]" 1
715 1 10 VAL QG 1 11 ILE H 2.401 . 3.070 2.807 2.574 3.158 0.088 3 0 "[ . 1 . 2]" 1
716 1 15 LEU HB2 1 15 LEU QD 2.257 . 2.847 2.088 2.019 2.121 . 0 0 "[ . 1 . 2]" 1
717 1 15 LEU QD 1 15 LEU HG 1.929 . 2.356 1.849 1.830 1.877 . 0 0 "[ . 1 . 2]" 1
718 1 15 LEU HB3 1 15 LEU QD 2.292 . 2.901 2.315 2.215 2.373 . 0 0 "[ . 1 . 2]" 1
719 1 15 LEU QD 1 95 MET QG 2.644 . 3.518 3.284 1.800 3.638 0.120 12 0 "[ . 1 . 2]" 1
720 1 15 LEU HA 1 15 LEU QD 2.042 . 2.521 2.502 2.314 2.737 0.216 13 0 "[ . 1 . 2]" 1
721 1 58 ASN HA 1 58 ASN HB3 2.406 . 3.077 2.766 2.367 3.036 . 0 0 "[ . 1 . 2]" 1
722 1 58 ASN HA 1 75 ALA MB 3.015 . 4.081 2.769 2.342 3.484 . 0 0 "[ . 1 . 2]" 1
723 1 97 ALA HA 1 112 LYS HA 2.206 . 2.768 2.534 1.936 2.831 0.063 1 0 "[ . 1 . 2]" 1
724 1 30 THR HB 1 47 PHE QD 2.450 . 3.147 3.167 2.468 3.409 0.262 9 0 "[ . 1 . 2]" 1
725 1 42 THR HB 1 44 ILE MD 2.431 . 3.170 1.994 1.655 2.396 0.037 9 0 "[ . 1 . 2]" 1
726 1 115 SER HA 1 115 SER HB3 2.266 . 2.861 2.634 2.343 2.997 0.136 11 0 "[ . 1 . 2]" 1
727 1 69 PHE HA 1 115 SER HB3 3.000 . 4.125 3.883 2.198 4.813 0.688 18 4 "[ **- 1 . + 2]" 1
728 1 69 PHE HA 1 115 SER HB2 3.272 . 4.610 3.914 2.112 4.774 0.164 4 0 "[ . 1 . 2]" 1
729 1 24 HIS QB 1 34 VAL HA 2.654 . 3.475 3.392 3.074 3.825 0.350 18 0 "[ . 1 . 2]" 1
730 1 12 LYS HB3 1 92 SER HB2 2.365 . 3.064 2.667 1.962 3.815 0.751 14 4 "[ .- 1 +. **2]" 1
731 1 17 PRO HA 1 17 PRO HB2 2.486 . 3.204 2.892 2.692 3.004 . 0 0 "[ . 1 . 2]" 1
732 1 109 PRO HA 1 111 ASN H 3.226 . 4.527 3.464 3.389 3.713 . 0 0 "[ . 1 . 2]" 1
733 1 78 PRO HA 1 78 PRO HB3 2.203 . 2.763 2.284 2.214 2.379 . 0 0 "[ . 1 . 2]" 1
734 1 83 PRO HA 1 83 PRO HB3 2.460 . 3.163 2.293 2.245 2.343 . 0 0 "[ . 1 . 2]" 1
735 1 4 CYS HA 1 4 CYS HB2 2.216 . 2.784 2.800 2.307 3.021 0.237 20 0 "[ . 1 . 2]" 1
736 1 7 ILE HA 1 7 ILE HB 2.684 . 3.560 2.979 2.495 3.031 . 0 0 "[ . 1 . 2]" 1
737 1 7 ILE HA 1 7 ILE QG 3.008 . 3.755 3.049 2.833 3.527 . 0 0 "[ . 1 . 2]" 1
738 1 7 ILE QG 1 7 ILE MG 2.274 . 2.714 2.086 1.914 2.296 . 0 0 "[ . 1 . 2]" 1
739 1 7 ILE HA 1 7 ILE MD 2.131 . 2.654 1.987 1.788 2.867 0.213 19 0 "[ . 1 . 2]" 1
740 1 7 ILE HB 1 7 ILE MG 1.961 . 2.403 2.100 2.060 2.126 . 0 0 "[ . 1 . 2]" 1
741 1 8 GLU HA 1 8 GLU HB3 2.218 . 2.787 2.434 2.199 3.012 0.225 17 0 "[ . 1 . 2]" 1
742 1 8 GLU HA 1 8 GLU HG3 3.347 . 4.666 3.164 2.374 3.778 . 0 0 "[ . 1 . 2]" 1
743 1 10 VAL HA 1 11 ILE H 2.175 . 2.722 2.090 2.056 2.173 . 0 0 "[ . 1 . 2]" 1
744 1 10 VAL QG 1 90 GLU H 3.434 . 4.823 3.483 2.518 4.376 . 0 0 "[ . 1 . 2]" 1
745 1 10 VAL QG 1 12 LYS H 3.341 . 4.654 3.205 2.876 3.627 . 0 0 "[ . 1 . 2]" 1
746 1 107 PRO HA 1 107 PRO HB2 2.381 . 3.039 2.796 2.647 2.981 . 0 0 "[ . 1 . 2]" 1
747 1 11 ILE H 1 44 ILE HA 2.899 . 3.950 3.371 2.747 3.908 . 0 0 "[ . 1 . 2]" 1
748 1 44 ILE HA 1 44 ILE HB 2.889 . 3.865 3.014 3.007 3.023 . 0 0 "[ . 1 . 2]" 1
749 1 44 ILE HA 1 44 ILE HG12 2.803 . 3.722 3.474 3.376 3.554 . 0 0 "[ . 1 . 2]" 1
750 1 73 VAL HA 1 73 VAL HB 2.294 . 2.905 2.937 2.826 2.978 0.073 18 0 "[ . 1 . 2]" 1
751 1 15 LEU HA 1 15 LEU HB2 2.594 . 3.435 3.015 2.992 3.032 . 0 0 "[ . 1 . 2]" 1
752 1 79 ASP HA 1 79 ASP QB 2.210 . 2.775 2.385 2.226 2.489 . 0 0 "[ . 1 . 2]" 1
753 1 35 GLN HA 1 35 GLN HB3 2.487 . 3.207 2.797 2.576 3.035 . 0 0 "[ . 1 . 2]" 1
754 1 35 GLN HA 1 35 GLN QG 2.604 . 2.792 2.355 2.216 2.530 . 0 0 "[ . 1 . 2]" 1
755 1 80 LEU HA 1 80 LEU HB2 2.090 . 2.636 2.571 2.446 2.962 0.326 11 0 "[ . 1 . 2]" 1
756 1 80 LEU HA 1 80 LEU HB3 2.231 . 2.853 2.844 2.330 2.998 0.145 1 0 "[ . 1 . 2]" 1
757 1 71 THR MG 1 113 TRP HA 2.618 . 3.417 2.734 1.914 3.294 . 0 0 "[ . 1 . 2]" 1
758 1 56 ARG HA 1 56 ARG QB 2.273 . 2.872 2.240 2.120 2.518 . 0 0 "[ . 1 . 2]" 1
759 1 28 GLY QA 1 56 ARG HA 2.737 . 3.612 3.373 2.907 3.819 0.207 19 0 "[ . 1 . 2]" 1
760 1 98 ILE HA 1 98 ILE HB 2.723 . 3.588 3.025 2.998 3.039 . 0 0 "[ . 1 . 2]" 1
761 1 20 ILE HA 1 20 ILE HB 2.369 . 3.020 2.990 2.946 3.026 0.006 8 0 "[ . 1 . 2]" 1
762 1 45 ILE HA 1 45 ILE HB 2.204 . 2.765 2.825 2.171 2.946 0.181 4 0 "[ . 1 . 2]" 1
763 1 20 ILE HA 1 20 ILE QG 2.493 . 3.216 2.825 2.193 3.141 . 0 0 "[ . 1 . 2]" 1
764 1 20 ILE HA 1 20 ILE MG 2.243 . 2.825 2.267 2.177 2.483 . 0 0 "[ . 1 . 2]" 1
765 1 39 PHE HA 1 39 PHE QD 2.266 . 2.861 2.699 1.883 3.090 0.229 10 0 "[ . 1 . 2]" 1
766 1 9 ILE H 1 46 LYS HA 2.876 . 3.843 3.265 2.723 3.884 0.041 11 0 "[ . 1 . 2]" 1
767 1 46 LYS HA 1 46 LYS HB2 2.218 . 2.788 2.510 2.349 3.028 0.240 2 0 "[ . 1 . 2]" 1
768 1 9 ILE QG 1 46 LYS HA 2.712 . 3.570 3.493 2.628 3.761 0.191 6 0 "[ . 1 . 2]" 1
769 1 90 GLU HA 1 90 GLU HB2 2.139 . 2.667 2.339 2.278 2.405 . 0 0 "[ . 1 . 2]" 1
770 1 90 GLU HA 1 90 GLU QG 2.517 . 3.254 2.678 2.469 2.845 . 0 0 "[ . 1 . 2]" 1
771 1 12 LYS HB2 1 92 SER HA 2.500 . 3.281 3.146 2.344 3.429 0.148 18 0 "[ . 1 . 2]" 1
772 1 72 GLU HA 1 73 VAL QG 2.643 . 3.457 3.323 3.117 3.478 0.021 18 0 "[ . 1 . 2]" 1
773 1 60 LEU QB 1 72 GLU HA 3.042 . 4.128 3.740 3.250 4.040 . 0 0 "[ . 1 . 2]" 1
774 1 72 GLU HA 1 72 GLU HB3 2.222 . 2.839 2.859 2.390 3.025 0.186 7 0 "[ . 1 . 2]" 1
775 1 91 LEU H 1 91 LEU HA 2.830 . 3.766 2.927 2.739 2.950 . 0 0 "[ . 1 . 2]" 1
776 1 91 LEU HA 1 91 LEU HB2 2.539 . 3.289 2.905 2.666 3.031 . 0 0 "[ . 1 . 2]" 1
777 1 90 GLU QG 1 91 LEU HA 2.565 . 3.330 3.306 3.084 3.545 0.215 3 0 "[ . 1 . 2]" 1
778 1 23 TYR HA 1 62 ARG H 3.534 . 5.007 3.349 3.018 3.897 . 0 0 "[ . 1 . 2]" 1
779 1 23 TYR HA 1 61 PHE QE 3.254 . 4.498 4.367 3.675 4.632 0.134 17 0 "[ . 1 . 2]" 1
780 1 25 CYS HB2 1 59 CYS HA 3.259 . 4.507 3.409 2.641 4.860 0.353 6 0 "[ . 1 . 2]" 1
781 1 25 CYS HA 1 59 CYS QB 3.220 . 4.516 3.499 2.172 4.068 . 0 0 "[ . 1 . 2]" 1
782 1 25 CYS HA 1 25 CYS HB3 2.860 . 3.816 2.844 2.385 2.985 . 0 0 "[ . 1 . 2]" 1
783 1 36 TYR HA 1 36 TYR HB2 2.403 . 3.074 2.575 2.376 3.027 . 0 0 "[ . 1 . 2]" 1
784 1 22 GLN QG 1 36 TYR HA 3.278 . 4.621 3.565 3.082 4.113 . 0 0 "[ . 1 . 2]" 1
785 1 23 TYR QE 1 36 TYR HA 3.246 . 4.485 4.251 3.316 4.859 0.374 18 0 "[ . 1 . 2]" 1
786 1 61 PHE H 1 61 PHE HA 2.901 . 3.886 2.929 2.908 2.948 . 0 0 "[ . 1 . 2]" 1
787 1 104 GLU HA 1 104 GLU HB3 2.193 . 2.794 2.810 2.257 3.007 0.213 10 0 "[ . 1 . 2]" 1
788 1 15 LEU H 1 95 MET HA 3.357 . 4.683 4.563 4.249 5.035 0.352 18 0 "[ . 1 . 2]" 1
789 1 113 TRP HA 1 113 TRP QB 2.456 . 3.210 2.172 2.139 2.193 . 0 0 "[ . 1 . 2]" 1
790 1 70 PHE QB 1 114 ARG QB 3.210 . 4.421 3.521 2.191 4.161 . 0 0 "[ . 1 . 2]" 1
791 1 108 GLN QB 1 109 PRO QB 3.348 . 4.668 4.316 3.677 4.451 . 0 0 "[ . 1 . 2]" 1
792 1 62 ARG HA 1 70 PHE QB 3.290 . 4.563 3.696 1.799 4.347 0.173 11 0 "[ . 1 . 2]" 1
793 1 62 ARG HA 1 62 ARG HB3 2.968 . 4.000 2.708 2.342 3.068 . 0 0 "[ . 1 . 2]" 1
794 1 62 ARG HA 1 62 ARG HB2 2.842 . 3.787 2.469 2.401 2.585 . 0 0 "[ . 1 . 2]" 1
795 1 11 ILE HA 1 11 ILE HG12 2.855 . 3.807 3.147 3.034 3.225 . 0 0 "[ . 1 . 2]" 1
796 1 99 TYR HA 1 99 TYR QB 2.666 . 3.496 2.399 2.148 2.522 . 0 0 "[ . 1 . 2]" 1
797 1 98 ILE MG 1 100 PHE HA 3.064 . 4.238 4.272 3.807 4.512 0.274 14 0 "[ . 1 . 2]" 1
798 1 4 CYS HA 1 85 CYS QB 2.394 . 3.059 2.390 1.743 3.353 0.294 9 0 "[ . 1 . 2]" 1
799 1 40 LYS QB 1 41 GLY QA 3.295 . 4.487 3.712 3.447 3.984 . 0 0 "[ . 1 . 2]" 1
800 1 73 VAL QG 1 91 LEU HB3 2.604 . 3.452 2.151 1.795 2.863 . 0 0 "[ . 1 . 2]" 1
801 1 91 LEU H 1 91 LEU HB3 3.306 . 4.592 3.696 3.015 3.839 . 0 0 "[ . 1 . 2]" 1
802 1 110 LEU HA 1 110 LEU HB3 2.789 . 3.699 2.929 2.649 3.017 . 0 0 "[ . 1 . 2]" 1
803 1 110 LEU HA 1 110 LEU HB2 2.606 . 3.397 2.632 2.441 2.954 . 0 0 "[ . 1 . 2]" 1
804 1 84 LEU HA 1 84 LEU QB 2.646 . 3.392 2.356 2.142 2.531 . 0 0 "[ . 1 . 2]" 1
805 1 7 ILE QG 1 84 LEU QB 2.547 . 3.358 2.686 1.614 3.440 0.122 15 0 "[ . 1 . 2]" 1
806 1 96 ASP HA 1 96 ASP HB3 2.435 . 3.176 2.770 2.356 3.037 . 0 0 "[ . 1 . 2]" 1
807 1 96 ASP HA 1 96 ASP HB2 2.436 . 3.178 2.660 2.365 3.027 . 0 0 "[ . 1 . 2]" 1
808 1 103 ASP HA 1 103 ASP HB3 2.163 . 2.704 2.675 2.418 2.986 0.282 1 0 "[ . 1 . 2]" 1
809 1 99 TYR QB 1 107 PRO HB2 3.412 . 4.782 3.356 1.768 5.413 0.631 12 1 "[ . 1 + . 2]" 1
810 1 73 VAL QG 1 91 LEU HB2 2.480 . 3.249 2.813 2.460 3.268 0.019 6 0 "[ . 1 . 2]" 1
811 1 73 VAL HB 1 73 VAL QG 2.177 . 2.364 1.890 1.883 1.904 . 0 0 "[ . 1 . 2]" 1
812 1 73 VAL HB 1 98 ILE MG 2.873 . 3.905 3.895 3.633 4.054 0.149 15 0 "[ . 1 . 2]" 1
813 1 61 PHE QD 1 113 TRP QB 3.417 . 4.793 3.345 2.913 3.623 . 0 0 "[ . 1 . 2]" 1
814 1 61 PHE QE 1 113 TRP QB 3.324 . 4.623 4.598 3.640 5.064 0.441 8 0 "[ . 1 . 2]" 1
815 1 14 THR MG 1 39 PHE QD 2.702 . 3.554 3.785 3.635 5.038 1.484 13 1 "[ . 1 + . 2]" 1
816 1 14 THR MG 1 15 LEU H 3.731 . 5.374 4.032 2.939 4.305 . 0 0 "[ . 1 . 2]" 1
817 1 32 VAL HB 1 32 VAL QG 1.973 . 2.376 1.885 1.866 1.902 . 0 0 "[ . 1 . 2]" 1
818 1 93 ALA HA 1 93 ALA MB 1.985 . 2.437 2.065 2.044 2.105 . 0 0 "[ . 1 . 2]" 1
819 1 57 TRP QB 1 75 ALA MB 2.185 . 2.782 2.182 1.631 4.506 1.724 20 1 "[ . 1 . +]" 1
820 1 74 GLU HA 1 75 ALA MB 3.170 . 4.351 3.929 3.472 4.065 . 0 0 "[ . 1 . 2]" 1
821 1 73 VAL QG 1 111 ASN HB3 2.617 . 3.473 3.137 2.857 3.590 0.117 12 0 "[ . 1 . 2]" 1
822 1 10 VAL QG 1 42 THR MG 1.837 . 2.259 1.867 1.730 2.267 0.008 3 0 "[ . 1 . 2]" 1
823 1 11 ILE H 1 42 THR MG 2.998 . 4.122 4.214 3.767 4.309 0.187 5 0 "[ . 1 . 2]" 1
824 1 11 ILE HB 1 11 ILE MD 2.191 . 2.791 3.152 3.141 3.160 0.369 3 0 "[ . 1 . 2]" 1
825 1 11 ILE MD 1 23 TYR QD 2.740 . 3.618 3.588 3.231 3.681 0.063 11 0 "[ . 1 . 2]" 1
826 1 11 ILE MD 1 61 PHE QE 2.114 . 2.629 2.561 2.248 2.802 0.173 17 0 "[ . 1 . 2]" 1
827 1 59 CYS QB 1 73 VAL QG 3.218 . 4.435 3.102 2.556 3.803 . 0 0 "[ . 1 . 2]" 1
828 1 37 LEU HA 1 37 LEU HB3 2.211 . 2.776 2.833 2.354 3.028 0.252 4 0 "[ . 1 . 2]" 1
829 1 82 HIS HA 1 82 HIS HB3 2.409 . 3.083 2.540 2.307 2.970 . 0 0 "[ . 1 . 2]" 1
830 1 82 HIS HA 1 82 HIS HB2 2.367 . 3.018 2.845 2.289 3.030 0.012 17 0 "[ . 1 . 2]" 1
831 1 108 GLN HA 1 108 GLN QB 2.453 . 3.152 2.235 2.169 2.461 . 0 0 "[ . 1 . 2]" 1
832 1 108 GLN HA 1 108 GLN HG3 2.904 . 3.891 3.624 2.880 3.852 . 0 0 "[ . 1 . 2]" 1
833 1 108 GLN HA 1 108 GLN HG2 2.793 . 3.705 3.447 2.381 3.829 0.124 14 0 "[ . 1 . 2]" 1
834 1 44 ILE MD 1 44 ILE HG12 1.732 . 2.107 2.120 2.109 2.130 0.023 7 0 "[ . 1 . 2]" 1
835 1 14 THR HA 1 19 ARG QB 2.593 . 3.376 3.103 2.634 4.470 1.094 13 1 "[ . 1 + . 2]" 1
836 1 19 ARG QB 1 19 ARG QD 2.005 . 2.467 2.397 2.278 2.445 . 0 0 "[ . 1 . 2]" 1
837 1 4 CYS SG 1 85 CYS SG 2.020 . 2.120 2.031 2.017 2.038 . 0 0 "[ . 1 . 2]" 1
838 1 25 CYS SG 1 59 CYS SG 2.020 . 2.120 2.032 2.020 2.039 . 0 0 "[ . 1 . 2]" 1
839 1 9 ILE MD 1 57 TRP QB 2.361 . 3.058 2.444 1.825 3.276 0.218 6 0 "[ . 1 . 2]" 1
840 1 10 VAL H 1 11 ILE MD 2.457 . 3.212 3.301 3.121 3.521 0.309 17 0 "[ . 1 . 2]" 1
841 1 65 ILE QG 1 65 ILE MG 2.154 . 2.734 2.130 2.109 2.147 . 0 0 "[ . 1 . 2]" 1
842 1 45 ILE HB 1 45 ILE QG 1.917 . 2.377 2.326 2.168 2.431 0.054 16 0 "[ . 1 . 2]" 1
843 1 45 ILE QG 1 45 ILE MG 2.215 . 2.828 2.232 2.057 2.468 . 0 0 "[ . 1 . 2]" 1
844 1 9 ILE H 1 9 ILE MG 2.102 . 2.654 2.620 2.181 2.763 0.109 10 0 "[ . 1 . 2]" 1
845 1 11 ILE H 1 11 ILE MG 2.469 . 3.231 3.496 3.345 3.658 0.427 16 0 "[ . 1 . 2]" 1
846 1 75 ALA MB 1 76 TYR QB 2.279 . 2.928 3.233 2.785 4.938 2.010 16 2 "[ . -1 .+ 2]" 1
847 1 10 VAL HB 1 10 VAL QG 1.970 . 2.455 1.684 1.512 1.860 . 0 0 "[ . 1 . 2]" 1
848 1 20 ILE MG 1 21 LEU HA 2.617 . 3.473 3.340 2.950 3.504 0.031 20 0 "[ . 1 . 2]" 1
849 1 74 GLU HA 1 74 GLU QG 2.480 . 3.249 2.540 2.317 3.125 . 0 0 "[ . 1 . 2]" 1
850 1 4 CYS HA 1 4 CYS QB 2.159 . 2.742 2.418 2.145 2.541 . 0 0 "[ . 1 . 2]" 1
851 1 50 ASP HA 1 50 ASP HB2 2.124 . 2.688 2.311 2.099 2.437 . 0 0 "[ . 1 . 2]" 1
852 1 4 CYS HA 1 85 CYS QB 2.539 . 3.345 2.345 1.742 3.131 . 0 0 "[ . 1 . 2]" 1
853 1 26 ARG QB 1 31 ASN HA 2.494 . 3.272 2.974 1.781 3.492 0.220 8 0 "[ . 1 . 2]" 1
854 1 87 LYS HA 1 87 LYS QB 2.051 . 2.577 2.367 2.136 2.523 . 0 0 "[ . 1 . 2]" 1
855 1 103 ASP HA 1 103 ASP QB 1.882 . 2.325 2.359 2.146 2.498 0.173 6 0 "[ . 1 . 2]" 1
856 1 101 LYS HA 1 101 LYS QB 2.292 . 2.949 2.173 2.037 2.336 . 0 0 "[ . 1 . 2]" 1
857 1 65 ILE HA 1 65 ILE QG 2.434 . 3.174 2.997 2.768 3.106 . 0 0 "[ . 1 . 2]" 1
858 1 92 SER QB 1 93 ALA H 2.368 . 3.069 3.102 2.934 3.305 0.236 17 0 "[ . 1 . 2]" 1
859 1 115 SER HA 1 115 SER QB 2.179 . 2.772 2.289 2.173 2.431 . 0 0 "[ . 1 . 2]" 1
860 1 45 ILE MD 1 45 ILE QG 1.892 . 2.340 1.862 1.853 1.875 . 0 0 "[ . 1 . 2]" 1
861 1 9 ILE H 1 9 ILE HB 2.392 . 3.107 2.979 2.675 3.256 0.149 7 0 "[ . 1 . 2]" 1
862 1 65 ILE MD 1 65 ILE QG 1.872 . 2.310 1.888 1.886 1.889 . 0 0 "[ . 1 . 2]" 1
863 1 65 ILE HB 1 65 ILE QG 2.181 . 2.776 2.380 2.315 2.402 . 0 0 "[ . 1 . 2]" 1
864 1 5 LYS HA 1 5 LYS QG 2.286 . 2.939 2.564 2.144 3.216 0.277 20 0 "[ . 1 . 2]" 1
865 1 19 ARG HA 1 19 ARG QG 2.289 . 2.944 2.607 2.457 3.014 0.070 18 0 "[ . 1 . 2]" 1
866 1 69 PHE HA 1 114 ARG HA 2.578 . 3.409 2.826 1.719 3.617 0.208 18 0 "[ . 1 . 2]" 1
867 1 69 PHE HA 1 115 SER QB 2.620 . 3.478 3.253 2.093 3.682 0.204 2 0 "[ . 1 . 2]" 1
868 1 92 SER H 1 92 SER QB 2.468 . 3.230 2.887 2.382 3.207 . 0 0 "[ . 1 . 2]" 1
869 1 11 ILE MG 1 61 PHE QE 2.006 . 2.509 2.102 1.851 2.345 . 0 0 "[ . 1 . 2]" 1
870 1 7 ILE MG 1 76 TYR QD 2.337 . 3.020 2.915 2.107 3.193 0.173 9 0 "[ . 1 . 2]" 1
871 1 11 ILE MD 1 61 PHE QE 1.916 . 2.375 2.113 1.799 2.506 0.131 8 0 "[ . 1 . 2]" 1
872 1 61 PHE QE 1 98 ILE MG 2.240 . 2.867 3.053 2.756 3.213 0.346 13 0 "[ . 1 . 2]" 1
873 1 61 PHE QE 1 93 ALA HA 2.502 . 3.284 3.605 3.361 4.490 1.206 18 1 "[ . 1 . + 2]" 1
874 1 76 TYR QB 1 76 TYR QD 2.169 . 2.757 2.181 2.133 2.282 . 0 0 "[ . 1 . 2]" 1
875 1 36 TYR HB3 1 36 TYR QD 2.247 . 2.878 2.131 1.835 2.357 . 0 0 "[ . 1 . 2]" 1
876 1 3 GLY QA 1 4 CYS HA 2.206 . 2.814 3.110 2.980 3.499 0.685 17 4 "[ .* 1 * -. + 2]" 1
877 1 3 GLY QA 1 4 CYS HA 2.207 . 2.816 3.176 3.025 3.637 0.821 12 4 "[ .* 1 + -. * 2]" 1
878 1 27 SER HA 1 27 SER QB 2.148 . 2.725 2.366 2.161 2.478 . 0 0 "[ . 1 . 2]" 1
879 1 47 PHE HA 1 47 PHE QB 2.004 . 2.506 2.448 2.158 2.550 0.044 19 0 "[ . 1 . 2]" 1
880 1 89 TYR HA 1 89 TYR HB2 2.264 . 2.905 2.286 2.102 2.392 . 0 0 "[ . 1 . 2]" 1
881 1 28 GLY QA 1 55 SER HB3 2.282 . 2.933 2.772 1.740 3.732 0.799 5 1 "[ + 1 . 2]" 1
882 1 50 ASP HA 1 50 ASP HB2 2.403 . 3.125 2.160 2.000 2.329 . 0 0 "[ . 1 . 2]" 1
883 1 50 ASP HA 1 50 ASP HB2 2.388 . 3.101 2.264 2.125 2.441 . 0 0 "[ . 1 . 2]" 1
884 1 45 ILE HA 1 45 ILE QG 2.128 . 2.694 2.401 2.205 2.755 0.061 7 0 "[ . 1 . 2]" 1
885 1 93 ALA HA 1 98 ILE MG 2.039 . 2.559 2.474 2.434 2.540 . 0 0 "[ . 1 . 2]" 1
886 1 9 ILE QG 1 75 ALA HA 2.008 . 2.512 2.887 2.534 4.270 1.758 18 3 "[ . 1 * . +-2]" 1
887 1 90 GLU HA 1 90 GLU QB 2.264 . 2.905 2.260 2.206 2.316 . 0 0 "[ . 1 . 2]" 1
888 1 36 TYR HA 1 36 TYR HB2 2.128 . 2.694 2.178 2.021 2.353 . 0 0 "[ . 1 . 2]" 1
889 1 47 PHE HA 1 47 PHE QB 2.326 . 3.003 2.324 2.078 2.424 . 0 0 "[ . 1 . 2]" 1
890 1 29 ASN HA 1 29 ASN HB2 2.233 . 2.856 2.100 1.997 2.218 . 0 0 "[ . 1 . 2]" 1
891 1 20 ILE HA 1 20 ILE QG 2.364 . 3.062 2.460 2.120 2.695 . 0 0 "[ . 1 . 2]" 1
892 1 1 ALA HA 1 1 ALA MB 2.194 . 2.796 2.070 1.935 2.131 . 0 0 "[ . 1 . 2]" 1
893 1 48 LYS HA 1 48 LYS QB 2.121 . 2.683 2.179 2.132 2.387 . 0 0 "[ . 1 . 2]" 1
894 1 6 GLU QB 1 48 LYS HA 2.431 . 3.169 3.240 1.909 4.515 1.346 7 1 "[ . + 1 . 2]" 1
895 1 35 GLN HA 1 35 GLN QG 2.437 . 3.179 2.142 2.061 2.276 . 0 0 "[ . 1 . 2]" 1
896 1 55 SER HA 1 56 ARG QB 2.380 . 3.088 3.499 3.277 3.895 0.807 3 5 "[ + .* 1 -*.* 2]" 1
897 1 104 GLU HA 1 104 GLU QG 2.427 . 3.163 2.801 2.372 3.324 0.161 9 0 "[ . 1 . 2]" 1
898 1 6 GLU QG 1 48 LYS HA 2.554 . 3.370 2.936 2.484 3.417 0.047 7 0 "[ . 1 . 2]" 1
899 1 6 GLU QG 1 48 LYS HA 2.234 . 2.858 2.996 2.496 3.566 0.708 7 1 "[ . + 1 . 2]" 1
900 1 43 ARG HA 1 43 ARG QB 2.174 . 2.765 2.153 2.052 2.238 . 0 0 "[ . 1 . 2]" 1
901 1 44 ILE HA 1 44 ILE HB 2.257 . 2.894 2.229 2.048 2.386 . 0 0 "[ . 1 . 2]" 1
902 1 1 ALA MB 1 84 LEU HA 2.411 . 3.137 2.869 2.525 3.376 0.239 13 0 "[ . 1 . 2]" 1
903 1 11 ILE HA 1 11 ILE HB 2.401 . 3.122 2.233 2.152 2.311 . 0 0 "[ . 1 . 2]" 1
904 1 8 GLU HA 1 8 GLU HB2 2.425 . 3.160 2.630 2.188 2.998 . 0 0 "[ . 1 . 2]" 1
905 1 26 ARG HB2 1 31 ASN HA 2.316 . 2.987 2.189 1.926 2.445 . 0 0 "[ . 1 . 2]" 1
906 1 9 ILE HB 1 9 ILE MD 2.386 . 3.098 2.791 2.370 2.946 . 0 0 "[ . 1 . 2]" 1
907 1 98 ILE MD 1 98 ILE HG13 1.913 . 2.134 1.695 1.516 1.786 . 0 0 "[ . 1 . 2]" 1
908 1 30 THR H 1 30 THR HA 2.030 . 2.545 2.127 1.807 2.465 . 0 0 "[ . 1 . 2]" 1
909 1 24 HIS HD1 1 33 GLY HA2 2.240 . 2.867 3.152 2.922 3.593 0.726 13 2 "[ . 1 + . -2]" 1
910 1 39 PHE QB 1 39 PHE QD 2.146 . 2.722 1.928 1.895 1.976 . 0 0 "[ . 1 . 2]" 1
911 1 16 GLY QA 1 39 PHE QD 2.178 . 2.771 2.530 2.391 2.649 . 0 0 "[ . 1 . 2]" 1
912 1 16 GLY HA2 1 39 PHE QD 2.087 . 2.631 2.545 2.402 2.667 0.036 16 0 "[ . 1 . 2]" 1
913 1 23 TYR HB2 1 61 PHE QE 2.210 . 2.821 2.783 2.028 3.202 0.381 12 0 "[ . 1 . 2]" 1
914 1 47 PHE QB 1 47 PHE QD 2.445 . 3.193 2.184 2.070 2.331 . 0 0 "[ . 1 . 2]" 1
915 1 6 GLU HA 1 48 LYS HB2 2.070 . 2.606 2.299 2.129 2.376 . 0 0 "[ . 1 . 2]" 1
916 1 53 GLU HA 1 53 GLU QB 2.183 . 2.778 2.354 2.231 2.456 . 0 0 "[ . 1 . 2]" 1
917 1 53 GLU HA 1 53 GLU HB3 2.182 . 2.777 2.383 2.234 2.690 . 0 0 "[ . 1 . 2]" 1
918 1 53 GLU HA 1 53 GLU QG 2.287 . 2.941 2.566 2.308 2.956 0.015 6 0 "[ . 1 . 2]" 1
919 1 7 ILE MG 1 87 LYS HA 2.427 . 3.163 2.900 2.061 3.176 0.013 16 0 "[ . 1 . 2]" 1
920 1 24 HIS QB 1 34 VAL QG 2.306 . 2.971 1.957 1.714 2.381 . 0 0 "[ . 1 . 2]" 1
921 1 98 ILE HB 1 98 ILE HG13 1.874 . 2.313 1.990 1.973 2.006 . 0 0 "[ . 1 . 2]" 1
922 1 11 ILE HA 1 12 LYS H 2.347 . 3.035 1.969 1.711 2.156 . 0 0 "[ . 1 . 2]" 1
923 1 42 THR HA 1 43 ARG H 2.380 . 3.088 1.981 1.914 2.066 . 0 0 "[ . 1 . 2]" 1
924 1 88 ARG HA 1 88 ARG QB 2.132 . 2.700 2.343 2.125 2.499 . 0 0 "[ . 1 . 2]" 1
925 1 14 THR HB 1 14 THR MG 1.772 . 2.164 1.885 1.877 1.901 . 0 0 "[ . 1 . 2]" 1
926 1 11 ILE HA 1 11 ILE MD 2.093 . 2.641 1.802 1.759 1.888 . 0 0 "[ . 1 . 2]" 1
927 1 87 LYS HA 1 87 LYS QB 1.912 . 2.369 2.083 1.948 2.252 . 0 0 "[ . 1 . 2]" 1
928 1 104 GLU HA 1 104 GLU HB3 2.129 . 2.695 2.103 1.969 2.318 . 0 0 "[ . 1 . 2]" 1
929 1 45 ILE HA 1 45 ILE HB 2.200 . 2.805 2.585 2.133 2.709 . 0 0 "[ . 1 . 2]" 1
930 1 19 ARG QB 1 39 PHE QB 2.072 . 2.609 2.099 1.723 3.101 0.492 13 0 "[ . 1 . 2]" 1
931 1 11 ILE HG13 1 59 CYS QB 2.196 . 2.799 2.076 1.628 2.954 0.155 20 0 "[ . 1 . 2]" 1
932 1 6 GLU HA 1 48 LYS HB2 1.949 . 2.424 2.212 2.053 2.291 . 0 0 "[ . 1 . 2]" 1
933 1 65 ILE HB 1 65 ILE MD 1.935 . 2.403 1.973 1.957 1.995 . 0 0 "[ . 1 . 2]" 1
934 1 65 ILE MD 1 65 ILE QG 2.171 . 2.760 1.767 1.761 1.772 . 0 0 "[ . 1 . 2]" 1
935 1 9 ILE MG 1 75 ALA MB 2.155 . 2.735 1.709 1.600 1.840 . 0 0 "[ . 1 . 2]" 1
936 1 10 VAL QG 1 12 LYS HB2 2.032 . 2.548 2.833 2.561 3.485 0.937 19 1 "[ . 1 . +2]" 1
937 1 8 GLU HB2 1 10 VAL MG1 2.032 . 2.548 2.420 1.929 2.928 0.380 19 0 "[ . 1 . 2]" 1
938 1 8 GLU HB2 1 10 VAL MG1 2.026 . 2.539 2.290 1.928 2.604 0.065 14 0 "[ . 1 . 2]" 1
939 1 44 ILE MD 1 44 ILE HG13 2.196 . 2.799 2.023 2.013 2.032 . 0 0 "[ . 1 . 2]" 1
940 1 9 ILE HB 1 45 ILE MD 2.059 . 2.589 1.631 1.542 1.710 . 0 0 "[ . 1 . 2]" 1
941 1 9 ILE HB 1 9 ILE MG 1.924 . 2.387 1.680 1.573 1.782 . 0 0 "[ . 1 . 2]" 1
942 1 9 ILE HB 1 9 ILE QG 2.026 . 2.539 1.810 1.792 1.834 . 0 0 "[ . 1 . 2]" 1
943 1 9 ILE HB 1 9 ILE QG 2.086 . 2.630 1.622 1.536 1.701 0.006 20 0 "[ . 1 . 2]" 1
944 1 9 ILE HB 1 9 ILE QG 2.185 . 2.782 1.850 1.829 1.882 . 0 0 "[ . 1 . 2]" 1
945 1 20 ILE MD 1 20 ILE QG 1.977 . 2.466 1.749 1.726 1.756 . 0 0 "[ . 1 . 2]" 1
946 1 10 VAL QG 1 90 GLU QG 1.993 . 2.489 1.716 1.606 1.941 . 0 0 "[ . 1 . 2]" 1
947 1 10 VAL HB 1 10 VAL MG1 2.085 . 2.629 1.622 1.528 1.792 0.013 5 0 "[ . 1 . 2]" 1
948 1 10 VAL QG 1 90 GLU HB3 2.173 . 2.763 2.657 1.657 2.893 0.130 16 0 "[ . 1 . 2]" 1
949 1 10 VAL QG 1 90 GLU HB3 2.189 . 2.788 2.484 1.649 2.725 . 0 0 "[ . 1 . 2]" 1
950 1 35 GLN QB 1 35 GLN QG 2.143 . 2.717 2.047 1.970 2.079 . 0 0 "[ . 1 . 2]" 1
951 1 11 ILE HB 1 11 ILE MG 2.059 . 2.589 1.988 1.916 2.047 . 0 0 "[ . 1 . 2]" 1
952 1 10 VAL QG 1 42 THR MG 2.025 . 2.538 1.600 1.491 1.710 0.021 10 0 "[ . 1 . 2]" 1
953 1 10 VAL QG 1 42 THR MG 1.974 . 2.461 1.555 1.463 1.643 0.024 10 0 "[ . 1 . 2]" 1
954 1 44 ILE MD 1 44 ILE HG12 1.983 . 2.474 1.639 1.452 1.725 0.040 7 0 "[ . 1 . 2]" 1
955 1 45 ILE MD 1 45 ILE MG 1.754 . 2.139 1.798 1.505 1.959 . 0 0 "[ . 1 . 2]" 1
956 1 11 ILE MD 1 11 ILE MG 1.903 . 2.356 1.717 1.616 1.777 . 0 0 "[ . 1 . 2]" 1
957 1 9 ILE MD 1 9 ILE QG 2.092 . 2.639 1.588 1.505 1.783 0.040 8 0 "[ . 1 . 2]" 1
958 1 12 LYS H 1 92 SER HA 2.570 . 3.395 1.943 1.815 2.216 . 0 0 "[ . 1 . 2]" 1
959 1 11 ILE H 1 11 ILE HA 2.634 . 3.501 2.741 2.516 2.840 . 0 0 "[ . 1 . 2]" 1
960 1 31 ASN HA 1 31 ASN HB2 2.327 . 3.004 2.305 2.131 2.621 . 0 0 "[ . 1 . 2]" 1
961 1 38 ASN HA 1 38 ASN QB 2.268 . 2.911 2.106 2.009 2.220 . 0 0 "[ . 1 . 2]" 1
962 1 38 ASN HA 1 38 ASN QB 2.241 . 2.869 2.062 1.926 2.189 . 0 0 "[ . 1 . 2]" 1
963 1 31 ASN HA 1 31 ASN HB3 2.388 . 3.101 2.455 2.166 2.697 . 0 0 "[ . 1 . 2]" 1
964 1 22 GLN HA 1 36 TYR QD 2.706 . 3.622 3.514 1.887 3.927 0.305 13 0 "[ . 1 . 2]" 1
965 1 23 TYR QD 1 43 ARG HA 2.761 . 3.714 4.012 3.580 5.672 1.958 16 2 "[ . 1 -.+ 2]" 1
966 1 44 ILE MG 1 45 ILE HA 2.757 . 3.102 3.316 3.234 3.411 0.309 3 0 "[ . 1 . 2]" 1
967 1 8 GLU HB3 1 47 PHE H 2.857 . 3.753 4.026 3.629 4.702 0.949 17 2 "[ . - 1 . + 2]" 1
968 1 6 GLU H 1 6 GLU QB 2.605 . 3.345 2.458 2.052 2.771 . 0 0 "[ . 1 . 2]" 1
969 1 33 GLY HA2 1 34 VAL H 2.389 . 3.006 2.442 2.097 2.774 . 0 0 "[ . 1 . 2]" 1
970 1 13 ASN HA 1 14 THR H 2.309 . 2.883 2.099 1.929 2.176 . 0 0 "[ . 1 . 2]" 1
971 1 22 GLN QB 1 23 TYR H 3.303 . 4.514 3.881 3.715 3.979 . 0 0 "[ . 1 . 2]" 1
972 1 29 ASN H 1 55 SER HB3 3.050 . 4.076 3.901 1.984 5.053 0.977 11 3 "[* - . 1+ . 2]" 1
973 1 57 TRP HA 1 76 TYR H 3.259 . 4.437 3.961 3.477 4.994 0.557 11 1 "[ . 1+ . 2]" 1
974 1 5 LYS QG 1 6 GLU H 2.876 . 3.785 2.964 1.841 4.297 0.512 9 1 "[ . +1 . 2]" 1
975 1 98 ILE HB 1 111 ASN H 2.306 . 2.878 3.006 2.691 3.149 0.271 17 0 "[ . 1 . 2]" 1
976 1 45 ILE HB 1 46 LYS H 2.859 . 3.756 3.324 2.818 3.536 . 0 0 "[ . 1 . 2]" 1
977 1 5 LYS H 1 5 LYS QB 2.479 . 3.145 2.348 1.573 2.870 0.138 20 0 "[ . 1 . 2]" 1
978 1 10 VAL QG 1 11 ILE H 2.676 . 3.458 2.679 2.532 2.900 . 0 0 "[ . 1 . 2]" 1
979 1 14 THR H 1 93 ALA H 3.011 . 4.010 3.580 2.968 3.827 . 0 0 "[ . 1 . 2]" 1
980 1 76 TYR H 1 76 TYR QB 2.766 . 3.603 2.681 2.050 2.985 . 0 0 "[ . 1 . 2]" 1
981 1 19 ARG H 1 19 ARG HG2 2.773 . 3.615 3.422 3.041 3.720 0.105 3 0 "[ . 1 . 2]" 1
982 1 90 GLU QB 1 91 LEU H 2.551 . 3.258 3.299 2.772 3.408 0.150 4 0 "[ . 1 . 2]" 1
983 1 10 VAL QG 1 91 LEU H 3.142 . 4.234 2.636 2.290 3.843 . 0 0 "[ . 1 . 2]" 1
984 1 12 LYS HB3 1 14 THR MG 2.367 . 2.753 3.034 2.155 3.176 0.423 18 0 "[ . 1 . 2]" 1
985 1 57 TRP QB 1 75 ALA MB 2.465 . 2.892 2.053 1.626 2.928 0.080 18 0 "[ . 1 . 2]" 1
986 1 61 PHE QB 1 114 ARG QB 3.126 . 3.884 3.869 3.533 4.170 0.286 7 0 "[ . 1 . 2]" 1
987 1 7 ILE MG 1 9 ILE QG 2.942 . 3.598 3.245 1.787 3.770 0.172 16 0 "[ . 1 . 2]" 1
988 1 4 CYS QB 1 5 LYS H 2.993 . 4.092 3.031 1.840 4.027 0.034 8 0 "[ . 1 . 2]" 1
989 1 6 GLU H 1 6 GLU QG 2.702 . 3.598 2.736 1.730 3.850 0.252 11 0 "[ . 1 . 2]" 1
990 1 6 GLU H 1 48 LYS QB 2.992 . 4.092 3.994 1.924 4.361 0.269 20 0 "[ . 1 . 2]" 1
991 1 3 GLY QA 1 4 CYS H 3.208 . 4.471 2.374 2.118 2.895 . 0 0 "[ . 1 . 2]" 1
992 1 22 GLN H 1 22 GLN QB 2.736 . 3.654 2.315 2.186 2.616 . 0 0 "[ . 1 . 2]" 1
993 1 26 ARG H 1 26 ARG QB 3.096 . 4.273 3.091 2.720 3.345 . 0 0 "[ . 1 . 2]" 1
994 1 27 SER QB 1 28 GLY H 2.643 . 3.499 3.103 2.219 3.649 0.150 4 0 "[ . 1 . 2]" 1
995 1 35 GLN QB 1 36 TYR H 2.850 . 3.847 2.879 1.861 3.636 . 0 0 "[ . 1 . 2]" 1
996 1 45 ILE QG 1 46 LYS H 2.784 . 3.735 3.682 2.349 3.961 0.226 9 0 "[ . 1 . 2]" 1
997 1 47 PHE QB 1 48 LYS H 2.570 . 3.381 3.048 2.108 3.559 0.178 5 0 "[ . 1 . 2]" 1
998 1 48 LYS H 1 48 LYS QB 2.518 . 3.296 2.893 2.313 3.193 . 0 0 "[ . 1 . 2]" 1
999 1 48 LYS QB 1 49 ASP H 3.163 . 4.392 3.407 1.885 4.027 0.028 17 0 "[ . 1 . 2]" 1
1000 1 53 GLU H 1 53 GLU QG 2.771 . 3.714 2.649 1.937 3.930 0.216 6 0 "[ . 1 . 2]" 1
1001 1 77 ARG H 1 77 ARG QB 2.679 . 3.558 2.527 2.246 2.794 . 0 0 "[ . 1 . 2]" 1
1002 1 5 LYS QB 1 86 GLY H 2.929 . 4.001 3.802 2.647 4.143 0.142 6 0 "[ . 1 . 2]" 1
1003 1 5 LYS QB 1 86 GLY H 3.178 . 4.440 4.259 2.634 5.767 1.327 11 3 "[ * . -1+ . 2]" 1
1004 1 87 LYS H 1 87 LYS QB 2.772 . 3.714 2.687 2.307 3.377 . 0 0 "[ . 1 . 2]" 1
1005 1 88 ARG H 1 88 ARG QB 2.517 . 3.293 2.796 2.422 3.349 0.056 14 0 "[ . 1 . 2]" 1
1006 1 88 ARG QB 1 89 TYR H 2.849 . 3.845 3.328 2.332 3.935 0.090 6 0 "[ . 1 . 2]" 1
1007 1 90 GLU QG 1 91 LEU H 2.935 . 3.993 2.862 1.753 3.211 0.105 3 0 "[ . 1 . 2]" 1
1008 1 100 PHE H 1 100 PHE QB 2.575 . 3.389 2.507 2.244 2.765 . 0 0 "[ . 1 . 2]" 1
1009 1 103 ASP QB 1 104 GLU H 2.138 . 2.697 2.463 1.819 3.093 0.396 2 0 "[ . 1 . 2]" 1
1010 1 103 ASP QB 1 105 ARG H 2.914 . 3.956 3.613 1.839 4.170 0.214 5 0 "[ . 1 . 2]" 1
1011 1 105 ARG H 1 105 ARG QG 2.360 . 3.042 2.615 1.911 3.138 0.096 7 0 "[ . 1 . 2]" 1
1012 1 6 GLU QB 1 7 ILE H 2.852 . 3.850 3.480 2.724 3.900 0.050 11 0 "[ . 1 . 2]" 1
1013 1 6 GLU QG 1 7 ILE H 3.071 . 4.229 4.033 3.035 4.429 0.200 3 0 "[ . 1 . 2]" 1
1014 1 47 PHE QB 1 57 TRP HE1 2.989 . 4.087 3.228 1.870 4.273 0.186 8 0 "[ . 1 . 2]" 1
1015 1 104 GLU H 1 104 GLU QG 3.162 . 4.390 3.656 1.876 4.466 0.076 5 0 "[ . 1 . 2]" 1
1016 1 44 ILE H 1 44 ILE MG 3.119 . 4.335 3.805 3.768 3.851 . 0 0 "[ . 1 . 2]" 1
1017 1 53 GLU QG 1 54 ARG H 3.293 . 4.626 4.288 3.227 4.690 0.064 17 0 "[ . 1 . 2]" 1
1018 1 8 GLU QG 1 47 PHE H 3.142 . 4.354 4.275 3.747 4.522 0.168 4 0 "[ . 1 . 2]" 1
1019 1 47 PHE H 1 47 PHE QB 3.272 . 4.587 2.874 2.671 3.321 . 0 0 "[ . 1 . 2]" 1
1020 1 100 PHE QB 1 108 GLN H 3.332 . 4.720 4.198 2.927 4.935 0.215 8 0 "[ . 1 . 2]" 1
1021 1 73 VAL QG 1 99 TYR H 3.434 . 4.908 4.194 3.965 4.441 . 0 0 "[ . 1 . 2]" 1
1022 1 19 ARG QG 1 95 MET H 3.288 . 4.617 4.732 4.454 4.862 0.245 6 0 "[ . 1 . 2]" 1
1023 1 22 GLN QB 1 62 ARG H 3.242 . 4.534 3.270 2.778 3.590 . 0 0 "[ . 1 . 2]" 1
1024 1 11 ILE MG 1 37 LEU HB3 2.633 . 3.500 3.262 2.089 4.041 0.541 15 1 "[ . 1 + 2]" 1
1025 1 9 ILE MG 1 57 TRP QB 2.450 . 3.201 3.105 2.359 3.396 0.195 20 0 "[ . 1 . 2]" 1
1026 1 8 GLU QG 1 44 ILE MG 2.524 . 3.320 3.217 2.149 3.595 0.275 4 0 "[ . 1 . 2]" 1
1027 1 12 LYS HB2 1 92 SER QB 2.637 . 3.506 2.651 1.963 3.577 0.071 18 0 "[ . 1 . 2]" 1
1028 1 92 SER QB 1 99 TYR QB 3.395 . 4.440 3.017 1.990 4.195 . 0 0 "[ . 1 . 2]" 1
1029 1 10 VAL QG 1 42 THR HA 2.272 . 2.917 3.237 3.108 3.757 0.840 3 1 "[ + . 1 . 2]" 1
1030 1 7 ILE MG 1 87 LYS QB 2.280 . 2.881 2.864 1.634 4.814 1.933 16 1 "[ . 1 .+ 2]" 1
1031 1 5 LYS QB 1 7 ILE MD 2.035 . 2.553 2.469 1.824 2.734 0.181 19 0 "[ . 1 . 2]" 1
1032 1 9 ILE HB 1 10 VAL HA 3.057 . 4.225 2.486 2.008 2.892 . 0 0 "[ . 1 . 2]" 1
1033 1 12 LYS HG2 1 14 THR HB 3.174 . 4.433 4.092 2.410 5.137 0.704 7 2 "[ . + 1 - . 2]" 1
1034 1 6 GLU HA 1 6 GLU QG 2.112 . 2.627 2.466 2.261 2.650 0.023 2 0 "[ . 1 . 2]" 1
1035 1 6 GLU HA 1 48 LYS QB 2.146 . 2.722 2.736 1.723 4.072 1.350 19 1 "[ . 1 . +2]" 1
1036 1 6 GLU HA 1 6 GLU QB 2.171 . 2.760 2.315 2.235 2.456 . 0 0 "[ . 1 . 2]" 1
1037 1 15 LEU HA 1 19 ARG QG 2.683 . 3.583 3.740 3.432 5.260 1.677 13 1 "[ . 1 + . 2]" 1
1038 1 93 ALA HA 1 98 ILE HG13 2.666 . 3.555 3.350 3.122 3.560 0.005 12 0 "[ . 1 . 2]" 1
1039 1 9 ILE QG 1 46 LYS HA 3.279 . 4.623 3.303 2.611 3.499 . 0 0 "[ . 1 . 2]" 1
1040 1 8 GLU QG 1 46 LYS HA 3.522 . 5.073 3.464 2.656 4.103 . 0 0 "[ . 1 . 2]" 1
1041 1 92 SER HA 1 92 SER QB 2.066 . 2.557 2.242 2.169 2.399 . 0 0 "[ . 1 . 2]" 1
1042 1 12 LYS HG3 1 92 SER HA 2.766 . 3.723 3.955 3.810 4.041 0.318 18 0 "[ . 1 . 2]" 1
1043 1 25 CYS HA 1 26 ARG HB3 2.995 . 4.116 3.388 2.167 3.799 . 0 0 "[ . 1 . 2]" 1
1044 1 20 ILE HB 1 36 TYR HA 3.224 . 4.524 3.544 3.076 4.085 . 0 0 "[ . 1 . 2]" 1
1045 1 5 LYS HA 1 5 LYS QB 1.856 . 2.287 2.173 1.973 2.353 0.066 8 0 "[ . 1 . 2]" 1
1046 1 5 LYS HA 1 5 LYS QB 1.899 . 2.350 2.226 2.045 2.392 0.042 11 0 "[ . 1 . 2]" 1
1047 1 100 PHE HA 1 100 PHE QB 2.155 . 2.691 2.368 2.178 2.459 . 0 0 "[ . 1 . 2]" 1
1048 1 10 VAL HB 1 11 ILE HA 3.096 . 4.295 4.517 4.283 4.750 0.455 11 0 "[ . 1 . 2]" 1
1049 1 99 TYR HA 1 109 PRO QB 2.967 . 4.068 3.676 2.930 4.028 . 0 0 "[ . 1 . 2]" 1
1050 1 9 ILE MG 1 25 CYS HB2 2.971 . 4.074 2.783 1.860 3.388 0.008 6 0 "[ . 1 . 2]" 1
1051 1 100 PHE QB 1 110 LEU HB3 3.196 . 4.473 2.619 1.818 4.554 0.101 8 0 "[ . 1 . 2]" 1
1052 1 100 PHE QB 1 110 LEU HB2 3.294 . 4.651 2.518 1.897 3.926 0.040 17 0 "[ . 1 . 2]" 1
1053 1 32 VAL QG 1 45 ILE QG 3.387 . 4.821 3.280 1.621 6.168 1.347 18 1 "[ . 1 . + 2]" 1
1054 1 93 ALA MB 1 98 ILE HG13 2.897 . 3.946 3.538 3.374 3.727 . 0 0 "[ . 1 . 2]" 1
1055 1 11 ILE MD 1 59 CYS QB 2.563 . 3.384 2.661 2.299 3.121 . 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 52
_Distance_constraint_stats_list.Viol_count 159
_Distance_constraint_stats_list.Viol_total 670.804
_Distance_constraint_stats_list.Viol_max 2.660
_Distance_constraint_stats_list.Viol_rms 0.1846
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0323
_Distance_constraint_stats_list.Viol_average_violations_only 0.2109
_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 7 ILE 0.770 0.335 19 0 "[ . 1 . 2]"
1 9 ILE 0.282 0.077 11 0 "[ . 1 . 2]"
1 10 VAL 7.011 1.776 11 2 "[ * . 1+ . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 7.544 2.660 18 2 "[ . 1 - . + 2]"
1 21 LEU 8.930 1.683 15 2 "[ . - + 2]"
1 23 TYR 0.290 0.251 18 0 "[ . 1 . 2]"
1 24 HIS 0.340 0.084 2 0 "[ . 1 . 2]"
1 26 ARG 5.293 1.344 6 3 "[ -.+ 1 . *]"
1 35 GLN 0.290 0.251 18 0 "[ . 1 . 2]"
1 37 LEU 8.930 1.683 15 2 "[ . - + 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.282 0.077 11 0 "[ . 1 . 2]"
1 47 PHE 0.770 0.335 19 0 "[ . 1 . 2]"
1 58 ASN 5.293 1.344 6 3 "[ -.+ 1 . *]"
1 60 LEU 0.340 0.084 2 0 "[ . 1 . 2]"
1 61 PHE 0.722 0.099 6 0 "[ . 1 . 2]"
1 71 THR 0.722 0.099 6 0 "[ . 1 . 2]"
1 89 TYR 5.048 1.776 11 1 "[ . 1+ . 2]"
1 90 GLU 1.487 0.365 12 0 "[ . 1 . 2]"
1 91 LEU 1.962 1.701 3 1 "[ + . 1 . 2]"
1 92 SER 0.471 0.082 18 0 "[ . 1 . 2]"
1 93 ALA 1.880 1.119 13 1 "[ . 1 + . 2]"
1 95 MET 5.664 2.660 18 1 "[ . 1 . + 2]"
1 98 ILE 0.401 0.067 12 0 "[ . 1 . 2]"
1 99 TYR 0.471 0.082 18 0 "[ . 1 . 2]"
1 101 LYS 1.487 0.365 12 0 "[ . 1 . 2]"
1 111 ASN 0.401 0.067 12 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 ILE O 1 45 ILE H 2.200 . 2.700 1.908 1.656 2.777 0.077 11 0 "[ . 1 . 2]" 2
2 1 9 ILE H 1 45 ILE O 2.200 . 2.700 1.980 1.708 2.234 0.022 5 0 "[ . 1 . 2]" 2
3 1 7 ILE O 1 47 PHE H 2.200 . 2.700 2.242 1.724 3.035 0.335 19 0 "[ . 1 . 2]" 2
4 1 7 ILE H 1 47 PHE O 2.200 . 2.700 2.400 1.742 2.856 0.156 19 0 "[ . 1 . 2]" 2
5 1 11 ILE O 1 43 ARG H 2.200 . 2.700 2.107 1.850 2.343 . 0 0 "[ . 1 . 2]" 2
6 1 11 ILE H 1 43 ARG O 2.200 . 2.700 1.979 1.734 2.436 . 0 0 "[ . 1 . 2]" 2
7 1 10 VAL H 1 89 TYR O 2.200 . 2.700 2.592 1.702 4.476 1.776 11 1 "[ . 1+ . 2]" 2
8 1 10 VAL O 1 91 LEU H 2.200 . 2.700 2.088 1.756 4.401 1.701 3 1 "[ + . 1 . 2]" 2
9 1 14 THR H 1 93 ALA O 2.200 . 2.700 1.894 1.602 3.819 1.119 13 1 "[ . 1 + . 2]" 2
10 1 14 THR O 1 95 MET H 2.200 . 2.700 2.445 1.810 5.360 2.660 18 1 "[ . 1 . + 2]" 2
11 1 92 SER H 1 99 TYR O 2.200 . 2.700 2.151 1.725 2.777 0.077 12 0 "[ . 1 . 2]" 2
12 1 92 SER O 1 99 TYR H 2.200 . 2.700 1.773 1.648 2.020 0.082 18 0 "[ . 1 . 2]" 2
13 1 90 GLU H 1 101 LYS O 2.200 . 2.700 2.569 2.001 3.065 0.365 12 0 "[ . 1 . 2]" 2
14 1 90 GLU O 1 101 LYS H 2.200 . 2.700 2.182 1.720 2.772 0.072 8 0 "[ . 1 . 2]" 2
15 1 98 ILE H 1 111 ASN O 2.200 . 2.700 1.760 1.663 2.595 0.067 12 0 "[ . 1 . 2]" 2
16 1 98 ILE O 1 111 ASN H 2.200 . 2.700 2.139 1.853 2.501 . 0 0 "[ . 1 . 2]" 2
17 1 61 PHE O 1 71 THR H 2.200 . 2.700 2.181 1.965 2.706 0.006 11 0 "[ . 1 . 2]" 2
18 1 61 PHE H 1 71 THR O 2.200 . 2.700 1.708 1.631 1.889 0.099 6 0 "[ . 1 . 2]" 2
19 1 24 HIS O 1 60 LEU H 2.200 . 2.700 2.022 1.768 2.330 . 0 0 "[ . 1 . 2]" 2
20 1 24 HIS H 1 60 LEU O 2.200 . 2.700 1.796 1.646 2.206 0.084 2 0 "[ . 1 . 2]" 2
21 1 26 ARG O 1 58 ASN H 2.200 . 2.700 2.771 1.885 4.044 1.344 6 3 "[ -.+ 1 . *]" 2
22 1 26 ARG H 1 58 ASN O 2.200 . 2.700 2.146 1.718 2.700 0.012 5 0 "[ . 1 . 2]" 2
23 1 21 LEU H 1 37 LEU O 2.200 . 2.700 2.770 2.066 3.563 0.863 15 2 "[ . - + 2]" 2
24 1 21 LEU O 1 37 LEU H 2.200 . 2.700 2.428 1.710 4.383 1.683 15 2 "[ . - + 2]" 2
25 1 23 TYR H 1 35 GLN O 2.200 . 2.700 2.026 1.734 2.734 0.034 18 0 "[ . 1 . 2]" 2
26 1 23 TYR O 1 35 GLN H 2.200 . 2.700 2.322 2.051 2.951 0.251 18 0 "[ . 1 . 2]" 2
27 1 24 HIS O 1 60 LEU N 3.200 2.516 3.927 2.773 2.610 2.977 . 0 0 "[ . 1 . 2]" 2
28 1 61 PHE N 1 71 THR O 3.200 2.516 3.927 2.652 2.595 2.716 . 0 0 "[ . 1 . 2]" 2
29 1 90 GLU O 1 101 LYS N 3.200 2.516 3.927 2.994 2.669 3.701 . 0 0 "[ . 1 . 2]" 2
30 1 92 SER O 1 99 TYR N 3.200 2.516 3.927 2.711 2.614 2.919 . 0 0 "[ . 1 . 2]" 2
31 1 10 VAL N 1 89 TYR O 3.200 2.516 3.927 3.541 2.648 5.432 1.505 11 1 "[ . 1+ . 2]" 2
32 1 23 TYR O 1 35 GLN N 3.200 2.516 3.927 3.124 2.888 3.454 . 0 0 "[ . 1 . 2]" 2
33 1 26 ARG O 1 58 ASN N 3.200 2.516 3.927 3.561 2.822 4.410 0.483 20 0 "[ . 1 . 2]" 2
34 1 14 THR O 1 95 MET N 3.200 2.516 3.927 3.278 2.784 6.188 2.261 18 1 "[ . 1 . + 2]" 2
35 1 98 ILE O 1 111 ASN N 3.200 2.516 3.927 2.963 2.730 3.359 . 0 0 "[ . 1 . 2]" 2
36 1 26 ARG N 1 58 ASN O 3.200 2.516 3.927 2.987 2.669 3.411 . 0 0 "[ . 1 . 2]" 2
37 1 11 ILE N 1 43 ARG O 3.200 2.516 3.927 2.925 2.709 3.397 . 0 0 "[ . 1 . 2]" 2
38 1 90 GLU N 1 101 LYS O 3.200 2.516 3.927 3.370 2.853 4.023 0.096 14 0 "[ . 1 . 2]" 2
39 1 9 ILE O 1 45 ILE N 3.200 2.516 3.927 2.830 2.613 3.531 . 0 0 "[ . 1 . 2]" 2
40 1 7 ILE O 1 47 PHE N 3.200 2.516 3.927 3.127 2.686 3.999 0.072 19 0 "[ . 1 . 2]" 2
41 1 7 ILE N 1 47 PHE O 3.200 2.516 3.927 3.105 2.704 3.560 . 0 0 "[ . 1 . 2]" 2
42 1 10 VAL O 1 91 LEU N 3.200 2.516 3.927 2.969 2.704 4.188 0.261 3 0 "[ . 1 . 2]" 2
43 1 21 LEU N 1 37 LEU O 3.200 2.516 3.927 3.608 3.010 4.416 0.489 15 0 "[ . 1 . 2]" 2
44 1 9 ILE N 1 45 ILE O 3.200 2.516 3.927 2.817 2.602 3.037 . 0 0 "[ . 1 . 2]" 2
45 1 61 PHE O 1 71 THR N 3.200 2.516 3.927 2.907 2.683 3.229 . 0 0 "[ . 1 . 2]" 2
46 1 98 ILE N 1 111 ASN O 3.200 2.516 3.927 2.646 2.569 3.364 . 0 0 "[ . 1 . 2]" 2
47 1 23 TYR N 1 35 GLN O 3.200 2.516 3.927 2.877 2.637 3.602 . 0 0 "[ . 1 . 2]" 2
48 1 92 SER N 1 99 TYR O 3.200 2.516 3.927 3.009 2.657 3.504 . 0 0 "[ . 1 . 2]" 2
49 1 21 LEU O 1 37 LEU N 3.200 2.516 3.927 3.254 2.665 4.994 1.067 15 2 "[ . - + 2]" 2
50 1 24 HIS N 1 60 LEU O 3.200 2.516 3.927 2.659 2.539 2.778 . 0 0 "[ . 1 . 2]" 2
51 1 14 THR N 1 93 ALA O 3.200 2.516 3.927 2.740 2.578 3.082 . 0 0 "[ . 1 . 2]" 2
52 1 11 ILE O 1 43 ARG N 3.200 2.516 3.927 2.906 2.695 3.114 . 0 0 "[ . 1 . 2]" 2
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