NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637352 |
6d53   |
19462 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6d53
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 1233
_Distance_constraint_stats_list.Viol_count 3082
_Distance_constraint_stats_list.Viol_total 10903.081
_Distance_constraint_stats_list.Viol_max 0.990
_Distance_constraint_stats_list.Viol_rms 0.0622
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0141
_Distance_constraint_stats_list.Viol_average_violations_only 0.1415
_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 6 ASN 3.092 0.808 7 1 "[ . + 1 . 2 .]"
1 7 GLN 7.877 0.808 7 1 "[ . + 1 . 2 .]"
1 8 LYS 2.976 0.376 23 0 "[ . 1 . 2 .]"
1 9 ALA 2.131 0.188 6 0 "[ . 1 . 2 .]"
1 10 LEU 2.362 0.188 6 0 "[ . 1 . 2 .]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 GLU 13.199 0.943 23 4 "[ . 1- * 2* + .]"
1 13 GLN 6.888 0.943 23 4 "[ . 1- * 2* + .]"
1 14 MET 0.926 0.297 17 0 "[ . 1 . 2 .]"
1 15 ASN 1.385 0.147 25 0 "[ . 1 . 2 .]"
1 16 SER 2.185 0.891 6 1 "[ .+ 1 . 2 .]"
1 17 ILE 7.575 0.891 6 2 "[ .+ 1 . -2 .]"
1 18 ASN 8.674 0.426 2 0 "[ . 1 . 2 .]"
1 19 SER 4.988 0.258 2 0 "[ . 1 . 2 .]"
1 20 VAL 12.528 0.925 5 8 "[ * + 1 .* **2* -*]"
1 21 ASN 14.267 0.426 2 0 "[ . 1 . 2 .]"
1 22 ASP 1.090 0.245 16 0 "[ . 1 . 2 .]"
1 23 LYS 8.988 0.925 5 8 "[ * + * .* * 2* -*]"
1 24 LEU 4.095 0.536 1 1 "[+ . 1 . 2 .]"
1 25 ASN 0.704 0.245 16 0 "[ . 1 . 2 .]"
1 26 LYS 9.176 0.837 2 4 "[ + . 1- .* 2* .]"
1 27 GLY 0.877 0.170 11 0 "[ . 1 . 2 .]"
1 28 LYS 12.810 0.837 2 4 "[ + . 1- .* 2* .]"
1 29 GLY 5.927 0.713 5 2 "[ + 1 - . 2 .]"
1 30 LYS 12.759 0.713 5 4 "[ + -1 * . * .]"
1 31 LEU 19.537 0.488 22 0 "[ . 1 . 2 .]"
1 32 SER 1.176 0.824 22 1 "[ . 1 . 2 + .]"
1 33 LEU 18.596 0.790 25 4 "[ * - 1 . * 2 +]"
1 34 SER 11.097 0.307 12 0 "[ . 1 . 2 .]"
1 35 MET 0.162 0.043 19 0 "[ . 1 . 2 .]"
1 36 ASN 4.587 0.647 19 1 "[ . 1 . +2 .]"
1 37 GLY 2.600 0.148 11 0 "[ . 1 . 2 .]"
1 38 ASN 8.764 0.185 12 0 "[ . 1 . 2 .]"
1 39 GLN 11.083 0.647 19 1 "[ . 1 . +2 .]"
1 40 LEU 15.604 0.790 25 4 "[ * - 1 . * 2 +]"
1 41 LYS 30.238 0.430 18 0 "[ . 1 . 2 .]"
1 42 ALA 2.257 0.191 1 0 "[ . 1 . 2 .]"
1 43 THR 4.095 0.824 22 1 "[ . 1 . 2 + .]"
1 44 SER 13.047 0.824 22 2 "[ . 1 . -2 + .]"
1 45 SER 11.333 0.408 13 0 "[ . 1 . 2 .]"
1 46 ASN 3.005 0.585 20 2 "[ . -1 . + .]"
1 47 ALA 2.603 0.214 13 0 "[ . 1 . 2 .]"
1 48 GLY 1.660 0.430 18 0 "[ . 1 . 2 .]"
1 49 TYR 5.667 0.297 13 0 "[ . 1 . 2 .]"
1 50 GLY 9.552 0.443 23 0 "[ . 1 . 2 .]"
1 51 ILE 19.135 0.837 2 4 "[ + . 1- .* 2* .]"
1 52 SER 10.229 0.471 13 0 "[ . 1 . 2 .]"
1 53 TYR 16.952 0.568 6 24 "[*****+** *****-**********]"
1 54 GLU 13.338 0.639 15 3 "[ . * 1 + 2 - .]"
1 55 ASP 9.196 0.639 15 3 "[ . * 1 + 2 - .]"
1 56 LYS 10.134 0.453 24 0 "[ . 1 . 2 .]"
1 57 ASN 11.009 0.729 15 1 "[ . 1 + 2 .]"
1 58 TRP 32.267 0.573 7 10 "[ *. + *1 ** .* 2** -*]"
1 59 GLY 20.181 0.573 7 10 "[ *. + *1 ** .* 2** -*]"
1 60 ILE 13.667 0.649 2 6 "[ + . 1* * . * 2 *-]"
1 61 PHE 12.750 0.883 21 4 "[ - . 1 . **2+ .]"
1 62 VAL 12.099 0.649 2 6 "[ + . 1* * . * 2 *-]"
1 63 ASN 0.804 0.100 22 0 "[ . 1 . 2 .]"
1 64 GLY 0.059 0.059 19 0 "[ . 1 . 2 .]"
1 65 GLU 2.987 0.667 4 2 "[ -+. 1 . 2 .]"
1 66 LYS 11.363 0.667 4 2 "[ -+. 1 . 2 .]"
1 67 VAL 10.040 0.883 21 3 "[ . 1 . *-2+ .]"
1 68 TYR 5.163 0.220 1 0 "[ . 1 . 2 .]"
1 69 THR 6.601 0.258 1 0 "[ . 1 . 2 .]"
1 70 PHE 9.840 0.346 2 0 "[ . 1 . 2 .]"
1 71 ASN 3.593 0.630 21 1 "[ . 1 . 2+ .]"
1 72 GLU 10.590 0.550 19 1 "[ . 1 . +2 .]"
1 73 LYS 12.975 0.837 2 4 "[ + . 1- .* 2* .]"
1 74 SER 2.199 0.630 21 1 "[ . 1 . 2+ .]"
1 75 THR 12.062 0.443 23 0 "[ . 1 . 2 .]"
1 76 VAL 14.123 0.762 19 1 "[ . 1 . +2 .]"
1 77 GLY 15.685 0.824 22 1 "[ . 1 . 2 + .]"
1 78 ASN 3.056 0.174 22 0 "[ . 1 . 2 .]"
1 79 ILE 4.775 0.171 10 0 "[ . 1 . 2 .]"
1 80 SER 12.774 0.824 22 2 "[ . 1 - . 2 + .]"
1 81 ASN 22.372 0.424 9 0 "[ . 1 . 2 .]"
1 82 ASP 11.858 0.582 19 2 "[ . 1 . +2- .]"
1 83 ILE 9.908 0.346 2 0 "[ . 1 . 2 .]"
1 84 ASN 14.073 0.630 13 1 "[ . 1 + . 2 .]"
1 85 LYS 11.982 0.990 8 9 "[* * + * * . **-* .]"
1 86 LEU 19.433 0.433 15 0 "[ . 1 . 2 .]"
1 87 ASN 10.890 0.430 18 0 "[ . 1 . 2 .]"
1 88 ILE 18.482 0.790 25 8 "[ * * * 1* * . * 2 *+]"
1 89 LYS 4.468 0.614 6 2 "[- .+ 1 . 2 .]"
1 90 GLY 4.433 0.337 19 0 "[ . 1 . 2 .]"
1 91 PRO 10.227 0.875 21 2 "[ . 1- . 2+ .]"
1 92 TYR 14.602 0.875 21 2 "[ . 1- . 2+ .]"
1 93 ILE 16.195 0.834 23 15 "[ * ** ** **. * *-**+**]"
1 94 GLU 8.668 0.834 23 11 "[ * ** * *. *-**+ *]"
1 95 ILE 4.509 0.536 1 1 "[+ . 1 . 2 .]"
1 96 LYS 5.971 0.268 2 0 "[ . 1 . 2 .]"
1 97 GLN 6.941 0.632 19 2 "[ . 1 -. +2 .]"
1 98 ILE 10.571 0.729 15 1 "[ . 1 + 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ILE MG 1 35 MET H 3.406 2.464 6.269 4.935 3.664 5.756 . 0 0 "[ . 1 . 2 .]" 1
2 1 35 MET HB2 1 36 ASN H 2.839 2.067 4.975 4.127 3.891 4.405 . 0 0 "[ . 1 . 2 .]" 1
3 1 31 LEU QB 1 58 TRP HH2 3.484 2.867 5.484 5.251 4.787 5.431 . 0 0 "[ . 1 . 2 .]" 1
4 1 31 LEU QD 1 76 VAL MG1 2.637 . 4.828 2.106 1.766 2.734 0.160 13 0 "[ . 1 . 2 .]" 1
5 1 29 GLY QA 1 30 LYS QB 3.499 2.529 4.549 3.987 3.666 4.231 . 0 0 "[ . 1 . 2 .]" 1
6 1 21 ASN HA 1 33 LEU MD1 3.521 2.545 4.977 3.775 2.377 5.196 0.219 17 0 "[ . 1 . 2 .]" 1
7 1 21 ASN HA 1 33 LEU MD2 3.312 2.398 4.706 4.247 2.572 5.036 0.330 19 0 "[ . 1 . 2 .]" 1
8 1 73 LYS QG 1 74 SER HA 2.760 2.012 4.588 3.755 3.385 4.555 . 0 0 "[ . 1 . 2 .]" 1
9 1 20 VAL MG1 1 33 LEU MD2 2.464 . 5.103 3.023 2.031 3.952 . 0 0 "[ . 1 . 2 .]" 1
10 1 40 LEU HG 1 88 ILE MD 2.207 . 5.269 2.942 2.059 5.290 0.021 15 0 "[ . 1 . 2 .]" 1
11 1 34 SER HB2 1 35 MET H 2.301 . 4.222 4.008 2.967 4.246 0.024 13 0 "[ . 1 . 2 .]" 1
12 1 30 LYS QB 1 45 SER H 2.599 . 4.639 3.818 1.491 4.076 0.408 13 0 "[ . 1 . 2 .]" 1
13 1 30 LYS HD2 1 45 SER QB 2.830 2.061 5.079 2.004 1.735 3.665 0.326 17 0 "[ . 1 . 2 .]" 1
14 1 30 LYS HE2 1 45 SER QB 3.330 2.411 5.030 4.114 3.424 4.610 . 0 0 "[ . 1 . 2 .]" 1
15 1 26 LYS QE 1 29 GLY QA 3.292 2.385 4.485 3.439 2.906 3.855 . 0 0 "[ . 1 . 2 .]" 1
16 1 56 LYS HB3 1 58 TRP HD1 4.144 2.566 5.558 3.442 2.113 4.419 0.453 24 0 "[ . 1 . 2 .]" 1
17 1 58 TRP HB2 1 70 PHE QE 4.035 2.501 7.839 3.668 3.420 3.923 . 0 0 "[ . 1 . 2 .]" 1
18 1 58 TRP HZ2 1 70 PHE HZ 4.247 4.080 4.672 4.480 4.209 4.720 0.048 14 0 "[ . 1 . 2 .]" 1
19 1 58 TRP HD1 1 71 ASN HA 4.331 2.679 4.489 4.332 3.654 4.595 0.106 18 0 "[ . 1 . 2 .]" 1
20 1 58 TRP HZ2 1 70 PHE QE 4.029 3.303 6.429 5.206 4.906 5.437 . 0 0 "[ . 1 . 2 .]" 1
21 1 58 TRP HZ3 1 70 PHE QE 3.725 3.060 6.125 3.150 3.010 3.504 0.050 22 0 "[ . 1 . 2 .]" 1
22 1 24 LEU MD1 1 58 TRP HZ3 3.657 3.006 6.423 4.677 4.184 5.381 . 0 0 "[ . 1 . 2 .]" 1
23 1 24 LEU MD1 1 58 TRP HE3 3.103 2.562 5.813 5.748 5.426 6.191 0.378 22 0 "[ . 1 . 2 .]" 1
24 1 24 LEU MD1 1 70 PHE QE 3.018 2.494 8.120 4.928 4.450 5.719 . 0 0 "[ . 1 . 2 .]" 1
25 1 24 LEU MD1 1 70 PHE QD 3.602 2.962 8.762 6.707 6.220 7.472 . 0 0 "[ . 1 . 2 .]" 1
26 1 31 LEU QD 1 68 TYR QE 3.349 2.759 8.484 5.676 4.974 7.063 . 0 0 "[ . 1 . 2 .]" 1
27 1 31 LEU QD 1 68 TYR QD 2.809 2.327 7.890 5.885 5.329 6.470 . 0 0 "[ . 1 . 2 .]" 1
28 1 31 LEU QD 1 70 PHE QE 2.993 2.474 8.092 2.646 2.337 3.168 0.137 11 0 "[ . 1 . 2 .]" 1
29 1 49 TYR HB3 1 49 TYR QD 2.992 2.474 6.691 2.455 2.334 2.742 0.140 16 0 "[ . 1 . 2 .]" 1
30 1 49 TYR HB2 1 49 TYR QD 2.947 2.438 6.642 2.420 2.331 2.716 0.107 5 0 "[ . 1 . 2 .]" 1
31 1 53 TYR QB 1 53 TYR QD 3.319 2.735 6.709 2.182 2.167 2.240 0.568 6 24 "[*****+** *****-**********]" 1
32 1 20 VAL MG1 1 58 TRP HH2 2.950 2.440 4.245 2.716 2.279 3.401 0.161 6 0 "[ . 1 . 2 .]" 1
33 1 58 TRP HB2 1 58 TRP HE3 3.261 2.689 4.587 3.974 3.902 4.021 . 0 0 "[ . 1 . 2 .]" 1
34 1 58 TRP HZ2 1 95 ILE MG 2.509 2.087 4.260 4.064 3.370 4.399 0.139 7 0 "[ . 1 . 2 .]" 1
35 1 58 TRP HZ2 1 96 LYS HA 3.093 2.554 3.402 3.480 3.405 3.554 0.152 6 0 "[ . 1 . 2 .]" 1
36 1 58 TRP HE3 1 97 GLN QB 3.468 2.854 4.815 4.493 3.888 4.765 . 0 0 "[ . 1 . 2 .]" 1
37 1 58 TRP HZ3 1 60 ILE QG 3.361 2.769 4.697 2.977 2.623 3.601 0.146 23 0 "[ . 1 . 2 .]" 1
38 1 60 ILE QG 1 68 TYR QD 2.941 2.433 6.635 3.733 2.477 4.920 . 0 0 "[ . 1 . 2 .]" 1
39 1 59 GLY HA2 1 61 PHE QE 2.847 2.358 5.532 4.876 4.212 5.465 . 0 0 "[ . 1 . 2 .]" 1
40 1 59 GLY HA3 1 61 PHE QE 3.560 2.928 6.316 3.470 2.884 4.072 0.044 15 0 "[ . 1 . 2 .]" 1
41 1 60 ILE HA 1 61 PHE QE 3.101 2.561 5.811 4.327 4.154 4.636 . 0 0 "[ . 1 . 2 .]" 1
42 1 60 ILE HA 1 61 PHE QD 3.086 2.567 5.795 3.517 3.150 3.890 . 0 0 "[ . 1 . 2 .]" 1
43 1 61 PHE HB3 1 61 PHE QD 2.636 2.189 6.300 2.351 2.273 2.441 . 0 0 "[ . 1 . 2 .]" 1
44 1 61 PHE HB2 1 61 PHE QD 2.570 2.136 6.227 2.427 2.329 2.546 . 0 0 "[ . 1 . 2 .]" 1
45 1 61 PHE HA 1 61 PHE QD 3.315 2.732 6.047 3.087 2.818 3.338 . 0 0 "[ . 1 . 2 .]" 1
46 1 61 PHE QD 1 66 LYS HB2 2.909 2.407 6.600 3.769 2.087 5.768 0.320 11 0 "[ . 1 . 2 .]" 1
47 1 61 PHE QE 1 66 LYS QD 3.276 2.701 7.004 2.642 2.211 3.089 0.490 1 0 "[ . 1 . 2 .]" 1
48 1 61 PHE HZ 1 66 LYS QD 3.270 2.696 4.597 3.918 2.560 4.564 0.136 14 0 "[ . 1 . 2 .]" 1
49 1 61 PHE QD 1 95 ILE HA 3.727 3.062 6.500 4.572 4.096 5.209 . 0 0 "[ . 1 . 2 .]" 1
50 1 61 PHE QE 1 96 LYS QD 2.669 2.215 6.336 2.476 2.195 2.894 0.020 7 0 "[ . 1 . 2 .]" 1
51 1 61 PHE QE 1 96 LYS QG 2.993 2.474 6.692 3.145 2.326 3.960 0.148 12 0 "[ . 1 . 2 .]" 1
52 1 61 PHE QE 1 98 ILE MG 2.526 2.101 6.679 2.595 2.085 3.593 0.016 6 0 "[ . 1 . 2 .]" 1
53 1 58 TRP HB2 1 68 TYR QE 2.977 2.462 6.675 6.683 6.354 6.895 0.220 1 0 "[ . 1 . 2 .]" 1
54 1 60 ILE HB 1 68 TYR QD 2.950 2.440 5.645 4.153 3.459 4.832 . 0 0 "[ . 1 . 2 .]" 1
55 1 60 ILE MD 1 68 TYR QE 3.271 2.697 7.498 4.103 3.461 5.330 . 0 0 "[ . 1 . 2 .]" 1
56 1 60 ILE MD 1 68 TYR QD 2.549 2.119 6.704 2.381 2.029 3.769 0.090 14 0 "[ . 1 . 2 .]" 1
57 1 60 ILE MG 1 68 TYR QE 3.442 2.834 7.686 6.669 5.755 7.230 . 0 0 "[ . 1 . 2 .]" 1
58 1 68 TYR HB2 1 68 TYR QD 2.500 2.080 6.150 2.497 2.365 2.623 . 0 0 "[ . 1 . 2 .]" 1
59 1 68 TYR HB3 1 68 TYR QD 2.786 2.309 6.465 2.327 2.274 2.421 0.035 8 0 "[ . 1 . 2 .]" 1
60 1 68 TYR QE 1 69 THR HB 3.532 2.906 6.285 6.059 5.401 6.390 0.105 21 0 "[ . 1 . 2 .]" 1
61 1 24 LEU MD1 1 70 PHE HZ 3.191 2.633 5.910 4.269 3.698 5.165 . 0 0 "[ . 1 . 2 .]" 1
62 1 31 LEU QD 1 70 PHE HZ 2.972 2.458 5.669 2.690 2.112 3.375 0.346 2 0 "[ . 1 . 2 .]" 1
63 1 60 ILE QG 1 70 PHE QE 3.291 2.826 7.020 3.550 2.613 4.177 0.213 23 0 "[ . 1 . 2 .]" 1
64 1 68 TYR QE 1 70 PHE HB3 2.778 2.302 6.456 2.272 2.120 2.571 0.182 1 0 "[ . 1 . 2 .]" 1
65 1 68 TYR QE 1 70 PHE HB2 3.127 2.582 6.840 3.500 2.775 3.874 . 0 0 "[ . 1 . 2 .]" 1
66 1 68 TYR QE 1 70 PHE QD 2.522 2.098 7.574 2.523 2.088 4.111 0.010 17 0 "[ . 1 . 2 .]" 1
67 1 70 PHE HB3 1 70 PHE QD 2.713 2.250 6.384 2.404 2.350 2.455 . 0 0 "[ . 1 . 2 .]" 1
68 1 70 PHE HB2 1 70 PHE QD 2.707 2.246 6.378 2.376 2.329 2.431 . 0 0 "[ . 1 . 2 .]" 1
69 1 70 PHE HA 1 70 PHE QD 2.818 2.334 5.500 3.749 3.741 3.762 . 0 0 "[ . 1 . 2 .]" 1
70 1 70 PHE HZ 1 76 VAL MG1 3.296 2.717 4.626 4.379 2.711 4.766 0.140 6 0 "[ . 1 . 2 .]" 1
71 1 70 PHE QE 1 79 ILE MG 3.474 2.859 7.721 2.852 2.702 3.236 0.157 25 0 "[ . 1 . 2 .]" 1
72 1 70 PHE QE 1 79 ILE MD 3.302 2.722 7.532 4.184 2.672 4.927 0.050 16 0 "[ . 1 . 2 .]" 1
73 1 70 PHE QD 1 79 ILE MD 2.666 2.213 6.833 3.117 2.215 3.676 . 0 0 "[ . 1 . 2 .]" 1
74 1 70 PHE QD 1 79 ILE MG 3.026 2.501 7.229 2.737 2.568 2.943 . 0 0 "[ . 1 . 2 .]" 1
75 1 70 PHE QE 1 76 VAL MG1 3.178 2.622 6.896 3.874 2.506 4.418 0.116 19 0 "[ . 1 . 2 .]" 1
76 1 70 PHE QE 1 76 VAL MG2 2.733 2.266 6.406 4.502 3.692 5.034 . 0 0 "[ . 1 . 2 .]" 1
77 1 70 PHE QD 1 76 VAL MG2 2.875 2.380 6.563 5.485 4.949 5.980 . 0 0 "[ . 1 . 2 .]" 1
78 1 68 TYR QE 1 79 ILE MG 2.548 2.118 6.703 2.226 2.016 2.936 0.102 21 0 "[ . 1 . 2 .]" 1
79 1 68 TYR QE 1 83 ILE HG13 3.141 2.593 6.855 3.933 3.455 5.418 . 0 0 "[ . 1 . 2 .]" 1
80 1 68 TYR QE 1 83 ILE MD 3.013 2.490 7.214 3.291 2.822 4.584 . 0 0 "[ . 1 . 2 .]" 1
81 1 68 TYR QD 1 83 ILE HG12 3.250 2.680 6.975 3.273 2.660 5.047 0.020 16 0 "[ . 1 . 2 .]" 1
82 1 68 TYR QD 1 83 ILE MD 3.266 2.693 7.481 2.878 2.604 4.160 0.089 7 0 "[ . 1 . 2 .]" 1
83 1 31 LEU QD 1 70 PHE QD 3.256 2.685 7.482 3.345 2.878 3.938 . 0 0 "[ . 1 . 2 .]" 1
84 1 92 TYR HA 1 92 TYR QD 3.417 2.814 6.159 3.483 2.757 3.758 0.057 12 0 "[ . 1 . 2 .]" 1
85 1 92 TYR QB 1 92 TYR QD 2.790 2.312 6.469 2.136 2.129 2.143 0.183 10 0 "[ . 1 . 2 .]" 1
86 1 61 PHE HZ 1 96 LYS QD 3.413 2.810 4.754 4.393 3.832 4.707 . 0 0 "[ . 1 . 2 .]" 1
87 1 6 ASN H 1 6 ASN HD21 2.373 . 3.322 3.218 2.232 4.130 0.808 7 1 "[ . + 1 . 2 .]" 1
88 1 7 GLN H 1 7 GLN HA 2.381 . 3.333 2.869 2.766 2.917 . 0 0 "[ . 1 . 2 .]" 1
89 1 7 GLN H 1 7 GLN QG 2.446 . 4.424 2.970 2.201 3.710 . 0 0 "[ . 1 . 2 .]" 1
90 1 7 GLN QG 1 8 LYS H 2.863 2.084 5.008 4.553 4.235 4.796 . 0 0 "[ . 1 . 2 .]" 1
91 1 7 GLN HA 1 8 LYS H 2.468 . 3.455 3.141 2.914 3.461 0.006 12 0 "[ . 1 . 2 .]" 1
92 1 7 GLN H 1 8 LYS QB 2.587 . 4.622 4.131 3.911 4.339 . 0 0 "[ . 1 . 2 .]" 1
93 1 6 ASN H 1 8 LYS QB 2.321 . 4.249 4.019 3.039 4.265 0.016 8 0 "[ . 1 . 2 .]" 1
94 1 7 GLN HB3 1 8 LYS H 2.210 . 4.094 4.087 3.447 4.470 0.376 23 0 "[ . 1 . 2 .]" 1
95 1 8 LYS H 1 8 LYS QB 2.566 . 4.592 2.162 1.958 2.271 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 LYS HG2 1 9 ALA H 3.350 2.425 5.690 4.106 3.198 4.977 . 0 0 "[ . 1 . 2 .]" 1
97 1 9 ALA H 1 9 ALA HA 3.131 2.272 4.383 2.906 2.859 2.917 . 0 0 "[ . 1 . 2 .]" 1
98 1 9 ALA HA 1 10 LEU H 2.392 . 3.349 3.426 3.268 3.537 0.188 6 0 "[ . 1 . 2 .]" 1
99 1 10 LEU MD1 1 13 GLN H 3.985 2.869 6.500 5.772 4.034 6.638 0.138 6 0 "[ . 1 . 2 .]" 1
100 1 11 GLU H 1 11 GLU HA 3.257 2.360 4.560 2.859 2.644 2.936 . 0 0 "[ . 1 . 2 .]" 1
101 1 7 GLN QG 1 12 GLU H 1.912 . 3.677 3.586 2.798 3.813 0.136 16 0 "[ . 1 . 2 .]" 1
102 1 7 GLN HB3 1 12 GLU H 1.952 . 3.733 3.213 1.666 4.076 0.343 16 0 "[ . 1 . 2 .]" 1
103 1 8 LYS HA 1 12 GLU H 2.009 . 3.813 3.317 2.910 3.563 . 0 0 "[ . 1 . 2 .]" 1
104 1 12 GLU HG2 1 13 GLN H 3.276 2.373 5.586 4.956 4.114 5.289 . 0 0 "[ . 1 . 2 .]" 1
105 1 12 GLU H 1 13 GLN HE21 3.065 2.225 4.291 4.496 3.585 5.234 0.943 23 4 "[ . 1- * 2* + .]" 1
106 1 13 GLN QG 1 35 MET H 2.561 . 4.585 3.970 2.185 4.576 . 0 0 "[ . 1 . 2 .]" 1
107 1 16 SER H 1 16 SER HA 2.387 . 3.342 2.749 2.700 2.780 . 0 0 "[ . 1 . 2 .]" 1
108 1 16 SER H 1 16 SER HB3 2.203 . 4.084 3.389 2.536 3.597 . 0 0 "[ . 1 . 2 .]" 1
109 1 15 ASN HB2 1 16 SER H 2.504 . 4.506 3.071 2.707 3.395 . 0 0 "[ . 1 . 2 .]" 1
110 1 18 ASN H 1 18 ASN HB3 1.895 . 3.653 3.617 3.580 3.642 . 0 0 "[ . 1 . 2 .]" 1
111 1 18 ASN HB3 1 19 SER H 2.662 . 4.727 3.624 3.315 3.944 . 0 0 "[ . 1 . 2 .]" 1
112 1 15 ASN HA 1 19 SER H 2.442 . 3.419 3.460 3.244 3.566 0.147 25 0 "[ . 1 . 2 .]" 1
113 1 19 SER H 1 19 SER HA 2.161 . 3.025 2.800 2.774 2.832 . 0 0 "[ . 1 . 2 .]" 1
114 1 19 SER H 1 19 SER HB2 2.280 . 4.192 2.783 2.412 3.593 . 0 0 "[ . 1 . 2 .]" 1
115 1 19 SER HB2 1 20 VAL H 2.621 . 4.669 3.374 2.665 3.976 . 0 0 "[ . 1 . 2 .]" 1
116 1 19 SER HA 1 20 VAL H 2.930 2.131 4.102 3.493 3.438 3.528 . 0 0 "[ . 1 . 2 .]" 1
117 1 20 VAL H 1 20 VAL HA 2.452 . 3.433 2.839 2.822 2.891 . 0 0 "[ . 1 . 2 .]" 1
118 1 20 VAL H 1 20 VAL HB 2.314 . 3.239 2.503 2.130 2.745 . 0 0 "[ . 1 . 2 .]" 1
119 1 20 VAL H 1 20 VAL MG1 2.504 . 4.506 3.751 3.569 3.774 . 0 0 "[ . 1 . 2 .]" 1
120 1 20 VAL H 1 20 VAL MG2 2.802 2.041 4.423 2.148 1.991 2.662 0.050 4 0 "[ . 1 . 2 .]" 1
121 1 20 VAL MG2 1 24 LEU H 3.295 2.386 5.613 5.495 5.292 5.639 0.026 3 0 "[ . 1 . 2 .]" 1
122 1 20 VAL MG1 1 24 LEU H 3.205 2.323 5.487 3.724 3.455 3.972 . 0 0 "[ . 1 . 2 .]" 1
123 1 18 ASN HB3 1 21 ASN H 2.655 . 4.717 4.637 4.297 4.774 0.057 22 0 "[ . 1 . 2 .]" 1
124 1 18 ASN HB2 1 21 ASN H 2.593 . 4.630 4.972 4.911 5.056 0.426 2 0 "[ . 1 . 2 .]" 1
125 1 20 VAL HA 1 21 ASN H 3.050 2.215 4.270 3.542 3.520 3.568 . 0 0 "[ . 1 . 2 .]" 1
126 1 20 VAL HB 1 21 ASN H 1.979 . 2.771 2.788 2.692 2.867 0.096 19 0 "[ . 1 . 2 .]" 1
127 1 21 ASN H 1 21 ASN HD21 2.671 . 3.739 2.848 1.920 3.791 0.052 8 0 "[ . 1 . 2 .]" 1
128 1 18 ASN HA 1 21 ASN H 2.523 . 3.532 2.782 2.541 3.059 . 0 0 "[ . 1 . 2 .]" 1
129 1 22 ASP HB2 1 23 LYS H 2.479 . 4.471 3.113 2.648 3.376 . 0 0 "[ . 1 . 2 .]" 1
130 1 22 ASP HA 1 25 ASN H 2.999 2.179 4.198 3.580 2.987 3.832 . 0 0 "[ . 1 . 2 .]" 1
131 1 23 LYS H 1 23 LYS HA 2.476 . 3.466 2.900 2.848 2.917 . 0 0 "[ . 1 . 2 .]" 1
132 1 23 LYS H 1 23 LYS HB2 1.957 . 3.740 2.542 2.249 2.885 . 0 0 "[ . 1 . 2 .]" 1
133 1 23 LYS H 1 23 LYS HB3 2.085 . 3.919 2.857 2.388 3.543 . 0 0 "[ . 1 . 2 .]" 1
134 1 23 LYS HB2 1 24 LEU H 2.610 . 4.654 3.430 2.663 3.967 . 0 0 "[ . 1 . 2 .]" 1
135 1 21 ASN HA 1 24 LEU H 3.543 2.560 4.960 3.521 3.303 3.953 . 0 0 "[ . 1 . 2 .]" 1
136 1 24 LEU H 1 24 LEU MD1 3.132 2.273 7.685 3.723 3.394 3.913 . 0 0 "[ . 1 . 2 .]" 1
137 1 24 LEU H 1 24 LEU HG 2.297 . 3.216 2.449 2.265 2.642 . 0 0 "[ . 1 . 2 .]" 1
138 1 24 LEU H 1 24 LEU QB 2.091 . 3.927 2.348 2.192 2.418 . 0 0 "[ . 1 . 2 .]" 1
139 1 24 LEU H 1 24 LEU HA 2.401 . 3.361 2.868 2.818 2.904 . 0 0 "[ . 1 . 2 .]" 1
140 1 24 LEU QB 1 25 ASN H 2.595 . 4.633 2.654 2.472 2.829 . 0 0 "[ . 1 . 2 .]" 1
141 1 24 LEU HA 1 25 ASN H 2.628 . 3.679 3.514 3.475 3.539 . 0 0 "[ . 1 . 2 .]" 1
142 1 24 LEU H 1 25 ASN HB2 3.654 2.638 6.000 4.486 4.328 4.669 . 0 0 "[ . 1 . 2 .]" 1
143 1 24 LEU H 1 25 ASN H 2.259 . 3.163 2.444 2.275 2.616 . 0 0 "[ . 1 . 2 .]" 1
144 1 25 ASN H 1 25 ASN HB2 2.219 . 4.106 2.286 2.177 2.408 . 0 0 "[ . 1 . 2 .]" 1
145 1 25 ASN H 1 25 ASN HB3 2.247 . 4.146 3.561 3.482 3.634 . 0 0 "[ . 1 . 2 .]" 1
146 1 25 ASN H 1 25 ASN HA 2.420 . 3.388 2.887 2.873 2.924 . 0 0 "[ . 1 . 2 .]" 1
147 1 25 ASN HB2 1 25 ASN QD 3.099 2.249 4.998 2.257 2.226 2.308 0.023 16 0 "[ . 1 . 2 .]" 1
148 1 25 ASN HB3 1 25 ASN QD 3.074 2.317 5.304 3.307 3.288 3.335 . 0 0 "[ . 1 . 2 .]" 1
149 1 25 ASN HA 1 26 LYS H 1.990 . 2.786 2.401 2.256 2.749 . 0 0 "[ . 1 . 2 .]" 1
150 1 25 ASN H 1 26 LYS QG 2.818 2.053 4.945 4.223 3.896 4.599 . 0 0 "[ . 1 . 2 .]" 1
151 1 25 ASN H 1 26 LYS H 2.916 2.121 4.082 3.725 3.043 4.040 . 0 0 "[ . 1 . 2 .]" 1
152 1 23 LYS H 1 24 LEU QB 2.337 . 4.272 4.248 4.229 4.266 . 0 0 "[ . 1 . 2 .]" 1
153 1 26 LYS H 1 26 LYS HA 2.576 . 3.607 2.914 2.723 2.944 . 0 0 "[ . 1 . 2 .]" 1
154 1 26 LYS H 1 26 LYS HB3 2.869 2.088 5.016 3.195 2.563 3.462 . 0 0 "[ . 1 . 2 .]" 1
155 1 26 LYS H 1 26 LYS HB2 2.266 . 4.173 3.564 3.480 3.668 . 0 0 "[ . 1 . 2 .]" 1
156 1 26 LYS HB3 1 27 GLY H 5.000 3.580 6.000 4.381 3.937 4.604 . 0 0 "[ . 1 . 2 .]" 1
157 1 26 LYS HB2 1 27 GLY H 3.655 2.638 6.000 3.826 3.256 4.298 . 0 0 "[ . 1 . 2 .]" 1
158 1 26 LYS H 1 27 GLY H 2.425 . 3.395 2.323 2.039 2.888 . 0 0 "[ . 1 . 2 .]" 1
159 1 27 GLY H 1 27 GLY HA3 2.241 . 3.138 2.885 2.753 2.958 . 0 0 "[ . 1 . 2 .]" 1
160 1 27 GLY HA2 1 28 LYS H 2.661 . 3.725 3.532 3.436 3.576 . 0 0 "[ . 1 . 2 .]" 1
161 1 27 GLY H 1 28 LYS H 2.363 . 3.308 3.213 2.828 3.478 0.170 11 0 "[ . 1 . 2 .]" 1
162 1 27 GLY H 1 28 LYS HB2 5.000 3.580 6.000 5.228 4.392 5.599 . 0 0 "[ . 1 . 2 .]" 1
163 1 28 LYS H 1 28 LYS QG 2.716 . 4.802 3.106 2.032 4.029 . 0 0 "[ . 1 . 2 .]" 1
164 1 28 LYS H 1 28 LYS QD 2.536 . 4.550 4.151 2.875 4.641 0.091 23 0 "[ . 1 . 2 .]" 1
165 1 28 LYS H 1 28 LYS HA 2.476 . 3.466 2.885 2.840 2.935 . 0 0 "[ . 1 . 2 .]" 1
166 1 28 LYS QD 1 29 GLY H . 2.973 4.056 3.669 2.997 4.109 0.053 24 0 "[ . 1 . 2 .]" 1
167 1 28 LYS QG 1 29 GLY H 2.758 2.011 4.861 3.144 1.708 4.588 0.303 18 0 "[ . 1 . 2 .]" 1
168 1 29 GLY H 1 29 GLY QA 2.401 . 3.186 2.189 2.165 2.277 . 0 0 "[ . 1 . 2 .]" 1
169 1 29 GLY QA 1 30 LYS H 2.324 . 2.885 2.121 2.016 2.217 . 0 0 "[ . 1 . 2 .]" 1
170 1 30 LYS H 1 30 LYS QG 2.152 . 4.013 2.048 1.768 2.640 0.032 19 0 "[ . 1 . 2 .]" 1
171 1 30 LYS H 1 30 LYS QB 2.061 . 3.885 3.075 2.367 3.269 . 0 0 "[ . 1 . 2 .]" 1
172 1 30 LYS H 1 30 LYS HE2 2.854 2.078 4.995 4.027 2.920 4.809 . 0 0 "[ . 1 . 2 .]" 1
173 1 30 LYS H 1 30 LYS HA 2.549 . 3.569 2.921 2.898 2.945 . 0 0 "[ . 1 . 2 .]" 1
174 1 30 LYS HA 1 31 LEU H 2.134 . 2.988 2.223 2.064 2.519 . 0 0 "[ . 1 . 2 .]" 1
175 1 30 LYS QG 1 31 LEU H 2.821 2.055 4.949 4.091 3.547 4.674 . 0 0 "[ . 1 . 2 .]" 1
176 1 30 LYS H 1 45 SER H 2.509 . 3.513 3.105 2.573 3.518 0.005 13 0 "[ . 1 . 2 .]" 1
177 1 30 LYS QB 1 31 LEU H 2.380 . 4.332 2.367 2.095 2.684 . 0 0 "[ . 1 . 2 .]" 1
178 1 31 LEU H 1 31 LEU QB 2.602 . 4.643 2.553 2.332 3.097 . 0 0 "[ . 1 . 2 .]" 1
179 1 31 LEU HA 1 32 SER H 1.946 . 2.724 2.159 2.090 2.209 . 0 0 "[ . 1 . 2 .]" 1
180 1 25 ASN QD 1 32 SER HA 2.722 . 3.259 2.919 2.618 3.131 . 0 0 "[ . 1 . 2 .]" 1
181 1 32 SER HA 1 33 LEU H 2.798 2.038 3.917 2.185 2.127 2.232 . 0 0 "[ . 1 . 2 .]" 1
182 1 32 SER QB 1 33 LEU H 3.162 2.293 5.427 3.580 3.027 3.966 . 0 0 "[ . 1 . 2 .]" 1
183 1 32 SER H 1 43 THR H 2.537 . 3.552 2.885 2.218 3.217 . 0 0 "[ . 1 . 2 .]" 1
184 1 21 ASN HD21 1 33 LEU H 3.056 2.219 4.278 3.872 2.217 4.575 0.297 2 0 "[ . 1 . 2 .]" 1
185 1 21 ASN HD22 1 33 LEU H 2.657 . 4.720 2.742 2.214 3.395 . 0 0 "[ . 1 . 2 .]" 1
186 1 33 LEU H 1 33 LEU HA 3.030 2.201 4.242 2.914 2.875 2.953 . 0 0 "[ . 1 . 2 .]" 1
187 1 33 LEU H 1 33 LEU HB2 2.502 . 4.503 2.572 2.258 2.999 . 0 0 "[ . 1 . 2 .]" 1
188 1 33 LEU H 1 33 LEU HG 2.734 . 3.828 3.163 1.969 3.995 0.167 17 0 "[ . 1 . 2 .]" 1
189 1 33 LEU H 1 33 LEU HB3 2.697 . 4.776 3.645 3.525 3.778 . 0 0 "[ . 1 . 2 .]" 1
190 1 33 LEU H 1 33 LEU MD2 2.629 . 6.081 3.112 1.858 4.189 0.062 8 0 "[ . 1 . 2 .]" 1
191 1 33 LEU MD2 1 34 SER H 2.612 . 6.057 4.505 3.454 5.023 . 0 0 "[ . 1 . 2 .]" 1
192 1 33 LEU HB2 1 34 SER H 2.955 2.149 5.137 4.084 3.791 4.294 . 0 0 "[ . 1 . 2 .]" 1
193 1 33 LEU HA 1 34 SER H 1.957 . 2.740 2.145 2.093 2.227 . 0 0 "[ . 1 . 2 .]" 1
194 1 34 SER H 1 34 SER HB2 2.781 2.027 4.893 3.162 2.689 3.932 . 0 0 "[ . 1 . 2 .]" 1
195 1 34 SER H 1 34 SER HA 2.590 . 3.626 2.884 2.849 2.921 . 0 0 "[ . 1 . 2 .]" 1
196 1 34 SER HA 1 35 MET H 2.209 . 3.093 2.189 2.153 2.259 . 0 0 "[ . 1 . 2 .]" 1
197 1 35 MET H 1 35 MET HA 3.039 2.207 4.255 2.943 2.925 2.955 . 0 0 "[ . 1 . 2 .]" 1
198 1 35 MET H 1 35 MET HG2 4.684 3.359 6.000 4.004 3.362 4.460 . 0 0 "[ . 1 . 2 .]" 1
199 1 35 MET H 1 35 MET HB2 2.621 . 4.669 2.609 2.391 2.802 . 0 0 "[ . 1 . 2 .]" 1
200 1 35 MET HA 1 36 ASN H 2.245 . 3.143 2.183 2.127 2.257 . 0 0 "[ . 1 . 2 .]" 1
201 1 36 ASN H 1 36 ASN HB2 2.951 2.146 4.836 3.117 2.686 3.920 . 0 0 "[ . 1 . 2 .]" 1
202 1 36 ASN H 1 36 ASN HA 3.012 2.188 4.217 2.921 2.897 2.950 . 0 0 "[ . 1 . 2 .]" 1
203 1 36 ASN HB3 1 39 GLN H 2.875 2.093 5.025 4.639 4.006 5.672 0.647 19 1 "[ . 1 . +2 .]" 1
204 1 36 ASN H 1 39 GLN H 3.412 2.469 4.777 3.163 2.935 3.525 . 0 0 "[ . 1 . 2 .]" 1
205 1 37 GLY HA3 1 38 ASN H 3.252 2.357 4.553 2.253 2.209 2.279 0.148 11 0 "[ . 1 . 2 .]" 1
206 1 37 GLY HA2 1 38 ASN H 3.692 2.665 5.000 3.466 3.400 3.491 . 0 0 "[ . 1 . 2 .]" 1
207 1 38 ASN H 1 39 GLN H 2.584 . 3.617 2.699 2.081 2.946 . 0 0 "[ . 1 . 2 .]" 1
208 1 38 ASN HD21 1 39 GLN H 2.780 2.026 3.892 4.020 3.963 4.074 0.182 15 0 "[ . 1 . 2 .]" 1
209 1 38 ASN H 1 39 GLN HA 4.222 3.035 5.000 4.830 4.651 5.051 0.051 4 0 "[ . 1 . 2 .]" 1
210 1 39 GLN H 1 39 GLN HA 2.972 2.160 4.161 2.909 2.889 2.942 . 0 0 "[ . 1 . 2 .]" 1
211 1 39 GLN H 1 39 GLN HB2 2.207 . 4.090 3.432 3.195 3.857 . 0 0 "[ . 1 . 2 .]" 1
212 1 39 GLN HG2 1 40 LEU H 2.708 . 4.791 3.246 2.537 5.006 0.215 25 0 "[ . 1 . 2 .]" 1
213 1 34 SER H 1 40 LEU QD 2.640 . 6.096 2.911 2.386 3.278 . 0 0 "[ . 1 . 2 .]" 1
214 1 34 SER H 1 40 LEU HA 3.362 2.433 4.707 4.579 4.135 4.815 0.108 7 0 "[ . 1 . 2 .]" 1
215 1 36 ASN H 1 40 LEU HA 3.550 2.565 4.970 3.748 3.169 4.433 . 0 0 "[ . 1 . 2 .]" 1
216 1 40 LEU H 1 40 LEU QD 2.411 . 5.775 3.745 3.638 3.922 . 0 0 "[ . 1 . 2 .]" 1
217 1 40 LEU QD 1 41 LYS H 2.703 . 6.184 2.364 2.084 2.793 . 0 0 "[ . 1 . 2 .]" 1
218 1 33 LEU QD 1 41 LYS H 4.236 3.045 7.400 5.782 5.139 6.560 . 0 0 "[ . 1 . 2 .]" 1
219 1 34 SER H 1 41 LYS QG 2.561 . 4.585 3.753 3.286 4.507 . 0 0 "[ . 1 . 2 .]" 1
220 1 34 SER H 1 41 LYS QD 3.462 2.503 5.847 5.240 3.377 5.912 0.065 22 0 "[ . 1 . 2 .]" 1
221 1 34 SER H 1 41 LYS H 2.374 . 3.324 3.414 3.286 3.556 0.232 17 0 "[ . 1 . 2 .]" 1
222 1 35 MET HA 1 41 LYS H 3.214 2.330 4.499 3.687 3.174 4.472 . 0 0 "[ . 1 . 2 .]" 1
223 1 41 LYS H 1 41 LYS QB 2.742 . 4.839 3.053 2.768 3.271 . 0 0 "[ . 1 . 2 .]" 1
224 1 41 LYS H 1 41 LYS QD 2.772 2.020 4.881 3.948 2.175 4.503 . 0 0 "[ . 1 . 2 .]" 1
225 1 41 LYS H 1 41 LYS QG 3.007 2.391 5.210 2.298 2.085 2.939 0.306 9 0 "[ . 1 . 2 .]" 1
226 1 41 LYS HA 1 42 ALA H 2.166 . 3.032 2.193 2.101 2.356 . 0 0 "[ . 1 . 2 .]" 1
227 1 41 LYS QB 1 42 ALA H 2.777 2.189 4.888 3.150 2.634 3.644 . 0 0 "[ . 1 . 2 .]" 1
228 1 41 LYS HA 1 87 ASN HD22 3.514 2.540 4.920 4.910 4.797 5.102 0.182 21 0 "[ . 1 . 2 .]" 1
229 1 41 LYS HA 1 87 ASN HD21 3.327 2.409 4.658 4.944 4.766 5.088 0.430 18 0 "[ . 1 . 2 .]" 1
230 1 42 ALA H 1 42 ALA HA 3.271 2.370 4.579 2.916 2.891 2.952 . 0 0 "[ . 1 . 2 .]" 1
231 1 42 ALA H 1 42 ALA MB 2.602 . 5.143 2.552 2.285 2.715 . 0 0 "[ . 1 . 2 .]" 1
232 1 42 ALA HA 1 43 THR H 1.904 . 2.666 2.157 2.100 2.377 . 0 0 "[ . 1 . 2 .]" 1
233 1 43 THR H 1 43 THR HG1 2.243 . 3.140 2.868 2.391 3.091 . 0 0 "[ . 1 . 2 .]" 1
234 1 43 THR H 1 43 THR HB 2.762 2.013 3.867 3.660 2.740 3.872 0.005 19 0 "[ . 1 . 2 .]" 1
235 1 43 THR H 1 43 THR HA 2.740 . 3.836 2.924 2.914 2.940 . 0 0 "[ . 1 . 2 .]" 1
236 1 43 THR HA 1 44 SER H 2.235 . 3.129 2.195 2.030 2.291 . 0 0 "[ . 1 . 2 .]" 1
237 1 43 THR HB 1 44 SER H 2.773 2.021 3.882 2.928 2.683 3.875 . 0 0 "[ . 1 . 2 .]" 1
238 1 43 THR HG1 1 44 SER H 2.764 2.015 3.870 3.973 3.875 4.324 0.454 22 0 "[ . 1 . 2 .]" 1
239 1 44 SER H 1 44 SER HA 3.297 2.388 4.616 2.940 2.931 2.947 . 0 0 "[ . 1 . 2 .]" 1
240 1 44 SER H 1 44 SER HB2 2.903 2.112 5.064 3.415 2.641 3.741 . 0 0 "[ . 1 . 2 .]" 1
241 1 44 SER HA 1 45 SER H 2.085 . 2.919 2.130 2.087 2.323 . 0 0 "[ . 1 . 2 .]" 1
242 1 45 SER H 1 45 SER HA 2.516 . 3.522 2.914 2.871 2.933 . 0 0 "[ . 1 . 2 .]" 1
243 1 45 SER H 1 45 SER QB 2.169 . 4.037 2.461 2.336 2.763 . 0 0 "[ . 1 . 2 .]" 1
244 1 30 LYS H 1 46 ASN HB2 3.059 2.221 5.283 3.739 3.248 4.146 . 0 0 "[ . 1 . 2 .]" 1
245 1 30 LYS H 1 46 ASN HB3 2.702 . 4.783 4.610 3.981 5.368 0.585 20 2 "[ . -1 . + .]" 1
246 1 46 ASN HB2 1 46 ASN HD21 2.480 . 4.472 3.052 2.275 3.526 . 0 0 "[ . 1 . 2 .]" 1
247 1 46 ASN HA 1 47 ALA H 2.198 . 3.077 2.860 2.661 3.118 0.041 24 0 "[ . 1 . 2 .]" 1
248 1 46 ASN HB3 1 47 ALA H 4.194 3.016 6.000 4.178 3.882 4.379 . 0 0 "[ . 1 . 2 .]" 1
249 1 45 SER HA 1 47 ALA H 2.645 . 3.703 3.055 2.901 3.225 . 0 0 "[ . 1 . 2 .]" 1
250 1 47 ALA H 1 47 ALA HA 2.402 . 3.363 2.258 2.250 2.273 . 0 0 "[ . 1 . 2 .]" 1
251 1 47 ALA HA 1 48 GLY H 3.592 2.594 5.000 2.933 2.721 3.193 . 0 0 "[ . 1 . 2 .]" 1
252 1 47 ALA H 1 48 GLY H 3.033 2.203 4.246 2.765 2.646 3.025 . 0 0 "[ . 1 . 2 .]" 1
253 1 48 GLY H 1 48 GLY HA3 2.471 . 3.459 2.890 2.834 2.956 . 0 0 "[ . 1 . 2 .]" 1
254 1 48 GLY H 1 48 GLY HA2 2.302 . 3.223 2.335 2.293 2.453 . 0 0 "[ . 1 . 2 .]" 1
255 1 48 GLY H 1 49 TYR H 2.508 . 3.511 2.600 2.404 2.793 . 0 0 "[ . 1 . 2 .]" 1
256 1 48 GLY HA2 1 49 TYR H 2.456 . 3.439 3.254 3.038 3.498 0.059 24 0 "[ . 1 . 2 .]" 1
257 1 49 TYR HB2 1 50 GLY H 2.496 . 4.495 3.883 3.367 4.472 . 0 0 "[ . 1 . 2 .]" 1
258 1 49 TYR HB3 1 50 GLY H 2.992 2.174 5.189 2.617 1.940 3.638 0.234 12 0 "[ . 1 . 2 .]" 1
259 1 49 TYR H 1 50 GLY H 2.568 . 4.595 4.572 4.377 4.629 0.034 13 0 "[ . 1 . 2 .]" 1
260 1 50 GLY H 1 50 GLY HA3 2.167 . 3.034 2.331 2.285 2.411 . 0 0 "[ . 1 . 2 .]" 1
261 1 50 GLY H 1 75 THR MG 3.348 2.423 6.187 3.920 2.847 4.892 . 0 0 "[ . 1 . 2 .]" 1
262 1 50 GLY H 1 51 ILE H 3.496 2.527 4.894 4.111 2.313 4.584 0.214 23 0 "[ . 1 . 2 .]" 1
263 1 51 ILE H 1 51 ILE MG 2.335 . 4.769 3.713 3.209 3.871 . 0 0 "[ . 1 . 2 .]" 1
264 1 50 GLY HA3 1 52 SER H 3.285 2.379 4.599 4.115 3.551 4.928 0.329 23 0 "[ . 1 . 2 .]" 1
265 1 51 ILE MG 1 52 SER H 2.498 . 4.997 3.134 2.755 3.940 . 0 0 "[ . 1 . 2 .]" 1
266 1 52 SER H 1 52 SER HA 2.343 . 3.280 2.756 2.270 2.924 . 0 0 "[ . 1 . 2 .]" 1
267 1 52 SER H 1 52 SER QB 2.563 2.027 3.894 3.047 2.431 3.401 . 0 0 "[ . 1 . 2 .]" 1
268 1 52 SER QB 1 53 TYR H 2.129 . 3.981 2.415 1.803 3.216 . 0 0 "[ . 1 . 2 .]" 1
269 1 53 TYR H 1 53 TYR QB 2.643 . 4.497 2.796 2.252 3.281 . 0 0 "[ . 1 . 2 .]" 1
270 1 53 TYR H 1 54 GLU H 2.252 . 3.153 2.033 1.758 2.910 0.042 18 0 "[ . 1 . 2 .]" 1
271 1 53 TYR H 1 54 GLU H 2.551 . 3.571 2.040 1.759 2.957 0.107 18 0 "[ . 1 . 2 .]" 1
272 1 54 GLU H 1 54 GLU HG2 2.333 . 4.266 2.885 1.774 4.346 0.080 16 0 "[ . 1 . 2 .]" 1
273 1 54 GLU H 1 54 GLU HB2 2.064 . 3.889 3.241 2.426 4.044 0.155 22 0 "[ . 1 . 2 .]" 1
274 1 54 GLU HB2 1 55 ASP H 2.177 . 4.048 2.958 1.824 4.204 0.156 15 0 "[ . 1 . 2 .]" 1
275 1 54 GLU HA 1 55 ASP H 1.822 . 2.551 2.374 2.111 2.620 0.069 23 0 "[ . 1 . 2 .]" 1
276 1 54 GLU HG3 1 55 ASP H 2.484 . 4.478 4.255 3.109 5.117 0.639 15 2 "[ . - 1 + 2 .]" 1
277 1 53 TYR QB 1 54 GLU H 4.217 3.032 6.000 3.361 2.513 3.968 0.519 23 1 "[ . 1 . 2 + .]" 1
278 1 55 ASP H 1 55 ASP HA 2.481 . 3.473 2.916 2.864 2.955 . 0 0 "[ . 1 . 2 .]" 1
279 1 55 ASP HA 1 56 LYS H 1.904 . 2.665 2.176 2.073 2.278 . 0 0 "[ . 1 . 2 .]" 1
280 1 55 ASP H 1 55 ASP QB 1.887 . 3.642 2.550 2.242 3.006 . 0 0 "[ . 1 . 2 .]" 1
281 1 56 LYS H 1 56 LYS HB2 2.211 . 4.096 2.614 2.271 2.974 . 0 0 "[ . 1 . 2 .]" 1
282 1 56 LYS H 1 56 LYS QG 2.630 . 4.682 3.337 2.090 4.186 . 0 0 "[ . 1 . 2 .]" 1
283 1 56 LYS H 1 56 LYS HA 2.305 . 3.227 2.931 2.874 2.950 . 0 0 "[ . 1 . 2 .]" 1
284 1 56 LYS HA 1 57 ASN H 1.813 . 2.538 2.218 2.043 2.415 . 0 0 "[ . 1 . 2 .]" 1
285 1 56 LYS HB2 1 57 ASN H 2.398 . 4.357 3.886 3.199 4.374 0.017 16 0 "[ . 1 . 2 .]" 1
286 1 56 LYS QG 1 57 ASN H 2.666 . 4.732 3.923 3.255 4.541 . 0 0 "[ . 1 . 2 .]" 1
287 1 56 LYS H 1 72 GLU H 2.934 2.134 4.107 2.887 2.305 3.668 . 0 0 "[ . 1 . 2 .]" 1
288 1 56 LYS H 1 72 GLU QG 3.096 2.247 5.335 4.895 4.278 5.188 . 0 0 "[ . 1 . 2 .]" 1
289 1 56 LYS H 1 72 GLU QB 2.428 . 4.399 3.219 2.482 4.263 . 0 0 "[ . 1 . 2 .]" 1
290 1 56 LYS H 1 57 ASN H 2.495 . 3.493 3.294 2.397 3.822 0.329 13 0 "[ . 1 . 2 .]" 1
291 1 57 ASN H 1 57 ASN QB 2.348 . 4.287 2.731 2.093 3.124 . 0 0 "[ . 1 . 2 .]" 1
292 1 57 ASN QB 1 57 ASN QD 2.905 2.375 5.067 2.166 2.011 2.605 0.364 18 0 "[ . 1 . 2 .]" 1
293 1 57 ASN HA 1 58 TRP H 2.006 . 2.809 2.105 2.034 2.206 . 0 0 "[ . 1 . 2 .]" 1
294 1 57 ASN QB 1 58 TRP H 3.106 2.254 4.268 3.548 3.121 3.935 . 0 0 "[ . 1 . 2 .]" 1
295 1 58 TRP H 1 58 TRP HD1 2.888 2.102 4.043 4.179 4.072 4.270 0.227 24 0 "[ . 1 . 2 .]" 1
296 1 58 TRP H 1 58 TRP HA 2.906 2.114 4.069 2.926 2.908 2.936 . 0 0 "[ . 1 . 2 .]" 1
297 1 58 TRP H 1 59 GLY H 4.977 3.564 5.000 4.591 4.540 4.623 . 0 0 "[ . 1 . 2 .]" 1
298 1 58 TRP HA 1 59 GLY H 2.338 . 3.273 2.450 2.388 2.503 . 0 0 "[ . 1 . 2 .]" 1
299 1 58 TRP HB2 1 59 GLY H 2.961 2.153 5.145 4.125 4.060 4.194 . 0 0 "[ . 1 . 2 .]" 1
300 1 58 TRP HZ3 1 96 LYS H 2.597 . 3.636 2.415 2.108 2.708 . 0 0 "[ . 1 . 2 .]" 1
301 1 59 GLY H 1 59 GLY HA3 2.859 2.081 4.003 2.694 2.549 2.753 . 0 0 "[ . 1 . 2 .]" 1
302 1 59 GLY H 1 59 GLY HA2 2.495 . 3.493 2.870 2.840 2.919 . 0 0 "[ . 1 . 2 .]" 1
303 1 59 GLY HA2 1 60 ILE H 2.465 . 3.451 2.212 2.095 2.325 . 0 0 "[ . 1 . 2 .]" 1
304 1 59 GLY HA2 1 70 PHE H 3.117 2.262 4.364 3.423 3.093 4.277 . 0 0 "[ . 1 . 2 .]" 1
305 1 60 ILE H 1 60 ILE HA 3.350 2.425 4.690 2.956 2.944 2.965 . 0 0 "[ . 1 . 2 .]" 1
306 1 60 ILE H 1 60 ILE QG 2.358 2.297 4.301 3.383 2.649 3.759 . 0 0 "[ . 1 . 2 .]" 1
307 1 60 ILE H 1 60 ILE MD 2.474 . 4.964 2.993 2.311 4.237 . 0 0 "[ . 1 . 2 .]" 1
308 1 60 ILE HA 1 61 PHE H 2.438 . 3.413 2.168 2.118 2.247 . 0 0 "[ . 1 . 2 .]" 1
309 1 60 ILE QG 1 61 PHE H 3.269 2.468 5.577 4.021 3.726 4.210 . 0 0 "[ . 1 . 2 .]" 1
310 1 60 ILE QG 1 68 TYR H 2.615 . 4.661 4.369 3.964 4.486 . 0 0 "[ . 1 . 2 .]" 1
311 1 60 ILE MD 1 68 TYR H 2.071 . 4.400 3.893 3.440 4.404 0.004 17 0 "[ . 1 . 2 .]" 1
312 1 60 ILE H 1 68 TYR H 2.887 2.101 4.042 3.125 2.815 3.431 . 0 0 "[ . 1 . 2 .]" 1
313 1 59 GLY H 1 61 PHE QE 2.745 2.002 6.243 4.627 4.096 5.223 . 0 0 "[ . 1 . 2 .]" 1
314 1 61 PHE H 1 61 PHE QD 2.784 2.029 6.298 2.604 2.253 2.903 . 0 0 "[ . 1 . 2 .]" 1
315 1 61 PHE H 1 61 PHE HB3 3.410 2.467 5.774 3.833 3.746 3.902 . 0 0 "[ . 1 . 2 .]" 1
316 1 61 PHE HA 1 62 VAL H 2.201 . 3.082 2.204 2.128 2.386 . 0 0 "[ . 1 . 2 .]" 1
317 1 61 PHE HA 1 67 VAL H 2.718 . 3.805 2.961 2.239 3.801 . 0 0 "[ . 1 . 2 .]" 1
318 1 62 VAL H 1 62 VAL QG 2.181 . 4.054 2.204 1.843 2.827 . 0 0 "[ . 1 . 2 .]" 1
319 1 62 VAL QG 1 63 ASN H 2.670 . 4.738 2.833 2.536 3.558 . 0 0 "[ . 1 . 2 .]" 1
320 1 62 VAL H 1 65 GLU H 2.875 2.092 4.025 2.933 2.233 3.397 . 0 0 "[ . 1 . 2 .]" 1
321 1 62 VAL QG 1 92 TYR H 3.258 2.361 5.561 3.685 2.726 5.190 . 0 0 "[ . 1 . 2 .]" 1
322 1 62 VAL HA 1 63 ASN H 2.213 . 3.098 2.142 2.099 2.203 . 0 0 "[ . 1 . 2 .]" 1
323 1 63 ASN H 1 63 ASN HB2 2.850 2.075 4.990 3.523 3.441 3.644 . 0 0 "[ . 1 . 2 .]" 1
324 1 63 ASN H 1 64 GLY H 2.881 2.097 4.033 2.697 2.612 2.891 . 0 0 "[ . 1 . 2 .]" 1
325 1 64 GLY HA3 1 65 GLU H 3.234 2.344 4.528 3.378 3.243 3.528 . 0 0 "[ . 1 . 2 .]" 1
326 1 65 GLU H 1 65 GLU HB3 2.261 . 4.165 2.833 2.494 3.623 . 0 0 "[ . 1 . 2 .]" 1
327 1 65 GLU HB3 1 66 LYS H 2.897 2.108 5.056 3.921 2.662 4.278 . 0 0 "[ . 1 . 2 .]" 1
328 1 66 LYS H 1 66 LYS HA 3.023 2.196 4.232 2.853 2.775 2.923 . 0 0 "[ . 1 . 2 .]" 1
329 1 66 LYS H 1 66 LYS HB3 2.413 . 4.378 3.054 2.444 3.648 . 0 0 "[ . 1 . 2 .]" 1
330 1 66 LYS H 1 66 LYS HB2 2.452 . 4.433 2.420 2.211 2.609 . 0 0 "[ . 1 . 2 .]" 1
331 1 66 LYS H 1 66 LYS HG2 3.795 2.736 6.000 3.921 2.357 4.577 0.379 5 0 "[ . 1 . 2 .]" 1
332 1 66 LYS HA 1 67 VAL H 2.118 . 2.965 2.154 2.106 2.196 . 0 0 "[ . 1 . 2 .]" 1
333 1 60 ILE H 1 67 VAL H 4.285 3.079 5.000 4.119 3.797 4.435 . 0 0 "[ . 1 . 2 .]" 1
334 1 67 VAL H 1 67 VAL HA 2.856 2.079 3.998 2.934 2.905 2.946 . 0 0 "[ . 1 . 2 .]" 1
335 1 67 VAL H 1 67 VAL HB 3.159 2.291 4.423 3.236 2.520 3.804 . 0 0 "[ . 1 . 2 .]" 1
336 1 67 VAL H 1 67 VAL MG1 2.099 . 3.938 2.647 1.786 3.859 0.014 9 0 "[ . 1 . 2 .]" 1
337 1 67 VAL H 1 68 TYR H 2.173 . 3.042 2.200 1.960 2.516 . 0 0 "[ . 1 . 2 .]" 1
338 1 68 TYR H 1 68 TYR QD 2.664 . 6.129 4.442 4.288 4.510 . 0 0 "[ . 1 . 2 .]" 1
339 1 68 TYR H 1 68 TYR HB2 2.631 . 4.683 3.215 2.961 3.385 . 0 0 "[ . 1 . 2 .]" 1
340 1 68 TYR H 1 68 TYR HA 2.759 2.011 3.863 2.908 2.864 2.943 . 0 0 "[ . 1 . 2 .]" 1
341 1 68 TYR HB3 1 69 THR H 3.597 2.598 6.000 3.839 3.624 4.077 . 0 0 "[ . 1 . 2 .]" 1
342 1 68 TYR HB2 1 69 THR H 3.933 2.833 6.000 4.086 3.964 4.268 . 0 0 "[ . 1 . 2 .]" 1
343 1 68 TYR QE 1 70 PHE H 3.637 2.626 7.400 4.967 4.549 5.178 . 0 0 "[ . 1 . 2 .]" 1
344 1 59 GLY H 1 69 THR MG 2.426 . 4.897 3.991 3.421 4.836 . 0 0 "[ . 1 . 2 .]" 1
345 1 60 ILE H 1 69 THR HA 2.190 . 3.066 3.238 3.129 3.324 0.258 1 0 "[ . 1 . 2 .]" 1
346 1 68 TYR HA 1 69 THR H 2.414 . 3.380 2.252 2.150 2.380 . 0 0 "[ . 1 . 2 .]" 1
347 1 69 THR H 1 69 THR HA 2.978 2.165 4.169 2.935 2.906 2.956 . 0 0 "[ . 1 . 2 .]" 1
348 1 69 THR H 1 69 THR HB 2.877 2.094 4.028 2.831 2.583 3.179 . 0 0 "[ . 1 . 2 .]" 1
349 1 69 THR H 1 69 THR MG 3.047 2.213 5.766 3.662 2.201 3.973 0.012 24 0 "[ . 1 . 2 .]" 1
350 1 69 THR HB 1 70 PHE H 2.925 2.127 4.095 4.002 3.753 4.184 0.089 19 0 "[ . 1 . 2 .]" 1
351 1 58 TRP H 1 70 PHE H 2.347 . 3.286 3.296 3.117 3.426 0.140 23 0 "[ . 1 . 2 .]" 1
352 1 69 THR HA 1 70 PHE H 2.108 . 2.951 2.348 2.255 2.437 . 0 0 "[ . 1 . 2 .]" 1
353 1 69 THR MG 1 70 PHE H 2.454 . 4.936 2.557 2.251 3.682 . 0 0 "[ . 1 . 2 .]" 1
354 1 70 PHE H 1 70 PHE QD 2.807 2.045 6.330 3.154 2.979 3.389 . 0 0 "[ . 1 . 2 .]" 1
355 1 70 PHE H 1 70 PHE HA 2.731 . 3.823 2.878 2.830 2.930 . 0 0 "[ . 1 . 2 .]" 1
356 1 70 PHE QD 1 71 ASN H 3.276 2.373 6.986 2.536 2.315 2.864 0.058 19 0 "[ . 1 . 2 .]" 1
357 1 70 PHE HA 1 71 ASN H 2.081 . 2.913 2.604 2.455 2.757 . 0 0 "[ . 1 . 2 .]" 1
358 1 70 PHE HB3 1 71 ASN H 2.670 . 4.738 3.529 3.389 3.714 . 0 0 "[ . 1 . 2 .]" 1
359 1 70 PHE HB2 1 71 ASN H 2.427 . 4.398 2.005 1.810 2.263 . 0 0 "[ . 1 . 2 .]" 1
360 1 50 GLY HA3 1 76 VAL H 3.082 2.237 4.315 4.116 2.856 4.351 0.036 13 0 "[ . 1 . 2 .]" 1
361 1 71 ASN H 1 71 ASN HA 2.950 2.145 4.130 2.947 2.935 2.954 . 0 0 "[ . 1 . 2 .]" 1
362 1 71 ASN H 1 71 ASN QB 2.129 . 3.980 2.567 2.424 3.071 . 0 0 "[ . 1 . 2 .]" 1
363 1 71 ASN HA 1 72 GLU H 2.130 . 2.982 2.199 2.079 2.359 . 0 0 "[ . 1 . 2 .]" 1
364 1 71 ASN QB 1 72 GLU H 2.807 2.045 4.930 3.163 2.540 3.728 . 0 0 "[ . 1 . 2 .]" 1
365 1 72 GLU H 1 72 GLU HA 2.687 . 3.762 2.812 2.747 2.885 . 0 0 "[ . 1 . 2 .]" 1
366 1 72 GLU H 1 72 GLU QG 2.306 . 4.229 3.232 2.114 3.957 . 0 0 "[ . 1 . 2 .]" 1
367 1 72 GLU H 1 72 GLU QB 2.168 . 4.035 2.188 1.992 2.559 . 0 0 "[ . 1 . 2 .]" 1
368 1 72 GLU HA 1 73 LYS H 3.091 2.244 4.328 3.450 3.358 3.569 . 0 0 "[ . 1 . 2 .]" 1
369 1 72 GLU QB 1 73 LYS H 2.939 2.137 5.115 3.036 2.618 3.298 . 0 0 "[ . 1 . 2 .]" 1
370 1 71 ASN QB 1 73 LYS H 3.345 2.421 5.683 3.017 2.573 3.672 . 0 0 "[ . 1 . 2 .]" 1
371 1 72 GLU QG 1 73 LYS H 4.665 3.345 6.000 4.461 4.014 4.792 . 0 0 "[ . 1 . 2 .]" 1
372 1 73 LYS H 1 73 LYS HA 2.608 . 3.651 2.888 2.769 2.942 . 0 0 "[ . 1 . 2 .]" 1
373 1 73 LYS H 1 73 LYS QG 2.057 . 3.880 1.989 1.773 2.098 0.027 11 0 "[ . 1 . 2 .]" 1
374 1 73 LYS H 1 73 LYS HD2 2.476 . 4.466 4.075 1.937 4.639 0.173 3 0 "[ . 1 . 2 .]" 1
375 1 73 LYS H 1 74 SER H 2.319 . 3.247 2.541 2.278 2.842 . 0 0 "[ . 1 . 2 .]" 1
376 1 71 ASN QB 1 74 SER H 3.043 2.210 5.260 3.527 3.098 4.054 . 0 0 "[ . 1 . 2 .]" 1
377 1 74 SER H 1 74 SER QB 2.096 . 3.935 2.505 2.292 2.726 . 0 0 "[ . 1 . 2 .]" 1
378 1 75 THR H 1 75 THR HB 1.882 . 3.635 3.610 3.482 3.749 0.114 25 0 "[ . 1 . 2 .]" 1
379 1 75 THR H 1 75 THR HA 2.410 . 3.374 2.884 2.774 2.938 . 0 0 "[ . 1 . 2 .]" 1
380 1 75 THR H 1 75 THR MG 2.044 . 4.361 2.787 2.180 3.422 . 0 0 "[ . 1 . 2 .]" 1
381 1 75 THR HB 1 76 VAL H 2.869 2.088 4.017 3.524 3.210 3.734 . 0 0 "[ . 1 . 2 .]" 1
382 1 75 THR HB 1 77 GLY H 2.696 . 3.774 2.812 2.597 2.985 . 0 0 "[ . 1 . 2 .]" 1
383 1 76 VAL H 1 76 VAL MG1 2.038 . 3.853 3.681 3.256 3.738 . 0 0 "[ . 1 . 2 .]" 1
384 1 76 VAL H 1 76 VAL MG2 2.083 . 3.416 1.784 1.707 1.928 0.093 23 0 "[ . 1 . 2 .]" 1
385 1 76 VAL MG1 1 77 GLY H 2.243 . 4.140 4.134 3.857 4.405 0.265 19 0 "[ . 1 . 2 .]" 1
386 1 76 VAL HA 1 79 ILE H 2.375 . 3.325 3.332 3.052 3.452 0.127 12 0 "[ . 1 . 2 .]" 1
387 1 76 VAL HA 1 80 SER H 2.461 . 3.445 3.451 3.166 3.550 0.105 25 0 "[ . 1 . 2 .]" 1
388 1 76 VAL MG1 1 80 SER H 2.771 2.020 4.879 3.392 3.073 3.579 . 0 0 "[ . 1 . 2 .]" 1
389 1 75 THR H 1 77 GLY H 3.080 2.236 4.880 5.059 4.989 5.118 0.238 23 0 "[ . 1 . 2 .]" 1
390 1 76 VAL H 1 77 GLY H 2.806 2.044 3.928 2.709 2.632 2.786 . 0 0 "[ . 1 . 2 .]" 1
391 1 76 VAL H 1 76 VAL HA 1.922 . 2.691 2.770 2.750 2.790 0.099 16 0 "[ . 1 . 2 .]" 1
392 1 77 GLY H 1 77 GLY HA3 1.832 . 2.565 2.345 2.325 2.367 . 0 0 "[ . 1 . 2 .]" 1
393 1 77 GLY H 1 77 GLY HA2 2.875 2.092 4.025 2.910 2.890 2.936 . 0 0 "[ . 1 . 2 .]" 1
394 1 77 GLY HA2 1 81 ASN H 2.421 . 3.389 3.567 3.457 3.657 0.268 20 0 "[ . 1 . 2 .]" 1
395 1 75 THR HB 1 78 ASN H 2.690 . 3.766 2.982 2.510 3.350 . 0 0 "[ . 1 . 2 .]" 1
396 1 75 THR H 1 78 ASN H 3.319 2.403 4.647 4.727 4.469 4.821 0.174 22 0 "[ . 1 . 2 .]" 1
397 1 77 GLY HA3 1 78 ASN H 2.436 . 3.411 2.831 2.747 2.943 . 0 0 "[ . 1 . 2 .]" 1
398 1 77 GLY H 1 78 ASN H 2.809 2.046 3.933 2.423 2.267 2.564 . 0 0 "[ . 1 . 2 .]" 1
399 1 77 GLY H 1 78 ASN HD21 3.642 2.629 5.000 4.492 4.013 5.113 0.113 2 0 "[ . 1 . 2 .]" 1
400 1 78 ASN H 1 78 ASN HD21 2.633 . 3.686 2.724 2.128 3.513 . 0 0 "[ . 1 . 2 .]" 1
401 1 78 ASN H 1 78 ASN HA 3.335 2.414 4.669 2.857 2.816 2.891 . 0 0 "[ . 1 . 2 .]" 1
402 1 78 ASN H 1 78 ASN HB2 2.198 . 4.077 2.379 2.269 2.589 . 0 0 "[ . 1 . 2 .]" 1
403 1 78 ASN HB2 1 78 ASN HD21 2.662 . 4.727 2.425 2.130 3.474 . 0 0 "[ . 1 . 2 .]" 1
404 1 78 ASN H 1 78 ASN HD22 3.138 2.277 4.393 3.890 3.628 4.364 . 0 0 "[ . 1 . 2 .]" 1
405 1 78 ASN HB2 1 79 ILE H 2.311 . 4.235 2.836 2.698 2.973 . 0 0 "[ . 1 . 2 .]" 1
406 1 78 ASN H 1 79 ILE H 2.303 . 3.224 2.421 2.269 2.561 . 0 0 "[ . 1 . 2 .]" 1
407 1 78 ASN HB2 1 81 ASN HD22 2.533 . 4.546 3.463 3.348 3.511 . 0 0 "[ . 1 . 2 .]" 1
408 1 74 SER H 1 79 ILE HG13 2.786 2.030 4.900 4.667 4.078 4.987 0.087 16 0 "[ . 1 . 2 .]" 1
409 1 79 ILE H 1 79 ILE HB 2.275 . 3.185 2.517 2.402 2.690 . 0 0 "[ . 1 . 2 .]" 1
410 1 79 ILE H 1 79 ILE HG12 2.336 . 4.270 2.437 2.012 3.565 . 0 0 "[ . 1 . 2 .]" 1
411 1 79 ILE H 1 79 ILE MD 2.733 . 5.326 3.280 2.983 3.667 . 0 0 "[ . 1 . 2 .]" 1
412 1 79 ILE HB 1 80 SER H 2.232 . 3.125 2.210 2.093 2.373 . 0 0 "[ . 1 . 2 .]" 1
413 1 79 ILE H 1 80 SER H 2.430 . 3.402 2.764 2.549 2.940 . 0 0 "[ . 1 . 2 .]" 1
414 1 80 SER H 1 80 SER QB 1.885 . 3.639 2.567 2.438 2.726 . 0 0 "[ . 1 . 2 .]" 1
415 1 80 SER HA 1 81 ASN H 2.300 . 3.220 3.523 3.493 3.547 0.327 20 0 "[ . 1 . 2 .]" 1
416 1 80 SER H 1 81 ASN H 2.349 . 3.289 2.848 2.650 3.037 . 0 0 "[ . 1 . 2 .]" 1
417 1 41 LYS HA 1 81 ASN HD22 2.981 2.167 4.173 4.394 4.206 4.597 0.424 9 0 "[ . 1 . 2 .]" 1
418 1 41 LYS HA 1 81 ASN HD21 2.844 2.071 3.982 4.161 4.024 4.365 0.383 24 0 "[ . 1 . 2 .]" 1
419 1 81 ASN H 1 81 ASN QB 1.971 . 3.760 2.272 2.157 2.427 . 0 0 "[ . 1 . 2 .]" 1
420 1 78 ASN HB2 1 81 ASN HD21 3.395 2.457 5.753 2.681 2.327 2.817 0.130 6 0 "[ . 1 . 2 .]" 1
421 1 81 ASN QB 1 82 ASP H 2.162 . 4.027 3.225 3.170 3.294 . 0 0 "[ . 1 . 2 .]" 1
422 1 81 ASN QB 1 84 ASN HD22 2.706 . 4.788 4.469 4.223 4.661 . 0 0 "[ . 1 . 2 .]" 1
423 1 81 ASN QB 1 84 ASN HD21 2.550 . 4.570 3.846 3.204 4.330 . 0 0 "[ . 1 . 2 .]" 1
424 1 82 ASP H 1 82 ASP HB3 2.635 . 4.689 3.557 3.385 3.631 . 0 0 "[ . 1 . 2 .]" 1
425 1 82 ASP H 1 82 ASP HB2 2.143 . 4.000 2.286 2.167 2.405 . 0 0 "[ . 1 . 2 .]" 1
426 1 82 ASP H 1 82 ASP HA 2.053 . 2.874 2.845 2.809 2.875 0.001 20 0 "[ . 1 . 2 .]" 1
427 1 82 ASP HB2 1 83 ILE H 2.279 . 4.191 2.434 2.243 2.530 . 0 0 "[ . 1 . 2 .]" 1
428 1 42 ALA H 1 83 ILE MG 3.735 2.694 6.500 5.191 4.060 6.016 . 0 0 "[ . 1 . 2 .]" 1
429 1 83 ILE H 1 83 ILE HB 2.055 . 2.877 2.529 2.435 2.677 . 0 0 "[ . 1 . 2 .]" 1
430 1 83 ILE H 1 83 ILE HG12 2.462 . 4.447 3.304 1.909 3.554 . 0 0 "[ . 1 . 2 .]" 1
431 1 83 ILE H 1 83 ILE MG 2.408 . 4.871 3.756 3.737 3.773 . 0 0 "[ . 1 . 2 .]" 1
432 1 83 ILE MG 1 84 ASN H 2.618 . 5.165 3.661 3.447 3.854 . 0 0 "[ . 1 . 2 .]" 1
433 1 83 ILE MD 1 84 ASN H 4.488 3.222 6.500 4.782 4.558 5.031 . 0 0 "[ . 1 . 2 .]" 1
434 1 83 ILE HA 1 86 LEU H 3.507 2.535 4.910 3.752 3.524 4.106 . 0 0 "[ . 1 . 2 .]" 1
435 1 42 ALA H 1 84 ASN HD22 3.105 2.254 4.347 2.189 2.063 2.398 0.191 1 0 "[ . 1 . 2 .]" 1
436 1 42 ALA H 1 84 ASN HD21 3.515 2.540 4.921 3.281 2.484 4.004 0.056 23 0 "[ . 1 . 2 .]" 1
437 1 80 SER QB 1 84 ASN HD21 3.595 2.597 6.000 4.255 3.513 5.570 . 0 0 "[ . 1 . 2 .]" 1
438 1 80 SER QB 1 84 ASN HD22 3.899 2.809 6.000 3.220 2.179 4.580 0.630 13 1 "[ . 1 + . 2 .]" 1
439 1 84 ASN H 1 84 ASN HB3 2.001 . 3.802 3.650 3.592 3.696 . 0 0 "[ . 1 . 2 .]" 1
440 1 84 ASN H 1 84 ASN HA 2.321 . 3.249 2.870 2.837 2.890 . 0 0 "[ . 1 . 2 .]" 1
441 1 41 LYS QB 1 84 ASN H 2.248 . 4.147 3.864 3.583 4.080 . 0 0 "[ . 1 . 2 .]" 1
442 1 85 LYS H 1 85 LYS HA 2.554 . 3.576 2.792 2.757 2.824 . 0 0 "[ . 1 . 2 .]" 1
443 1 85 LYS H 1 85 LYS HE3 2.817 2.052 4.944 4.571 3.487 5.934 0.990 8 6 "[* * + - * . * .]" 1
444 1 85 LYS H 1 85 LYS HB3 2.177 . 4.048 3.427 2.450 3.629 . 0 0 "[ . 1 . 2 .]" 1
445 1 85 LYS HB3 1 86 LEU H 2.172 . 4.041 3.745 3.532 4.031 . 0 0 "[ . 1 . 2 .]" 1
446 1 85 LYS QG 1 86 LEU H 2.708 . 4.791 3.697 2.342 4.196 . 0 0 "[ . 1 . 2 .]" 1
447 1 85 LYS H 1 86 LEU H 2.568 . 3.595 2.620 2.478 2.752 . 0 0 "[ . 1 . 2 .]" 1
448 1 86 LEU H 1 86 LEU HB2 1.971 . 3.760 2.834 2.710 2.918 . 0 0 "[ . 1 . 2 .]" 1
449 1 86 LEU H 1 86 LEU HB3 2.551 . 4.572 3.521 3.483 3.560 . 0 0 "[ . 1 . 2 .]" 1
450 1 86 LEU H 1 86 LEU HA 2.339 . 3.274 2.781 2.753 2.810 . 0 0 "[ . 1 . 2 .]" 1
451 1 86 LEU HB2 1 87 ASN H 2.826 2.058 4.956 2.924 2.730 3.103 . 0 0 "[ . 1 . 2 .]" 1
452 1 86 LEU HB3 1 87 ASN H 4.166 2.996 6.000 4.100 3.974 4.223 . 0 0 "[ . 1 . 2 .]" 1
453 1 86 LEU HB2 1 88 ILE H 2.351 . 4.292 3.794 3.271 4.351 0.059 8 0 "[ . 1 . 2 .]" 1
454 1 85 LYS HA 1 87 ASN H 3.366 2.436 4.712 3.744 3.532 3.921 . 0 0 "[ . 1 . 2 .]" 1
455 1 85 LYS H 1 87 ASN H 2.937 2.136 4.112 4.026 3.828 4.146 0.034 10 0 "[ . 1 . 2 .]" 1
456 1 87 ASN H 1 87 ASN HA 2.064 . 2.890 2.307 2.285 2.323 . 0 0 "[ . 1 . 2 .]" 1
457 1 87 ASN H 1 87 ASN HB3 2.838 2.067 4.973 3.946 3.855 4.012 . 0 0 "[ . 1 . 2 .]" 1
458 1 87 ASN H 1 87 ASN HB2 2.937 2.136 5.112 3.018 2.789 3.348 . 0 0 "[ . 1 . 2 .]" 1
459 1 87 ASN H 1 88 ILE H 2.909 2.116 4.073 3.568 3.332 3.829 . 0 0 "[ . 1 . 2 .]" 1
460 1 87 ASN H 1 88 ILE MD 5.000 3.580 6.500 5.160 3.970 5.927 . 0 0 "[ . 1 . 2 .]" 1
461 1 39 GLN H 1 40 LEU HB2 2.500 . 4.500 4.493 3.779 4.869 0.369 1 0 "[ . 1 . 2 .]" 1
462 1 40 LEU H 1 88 ILE HB 2.209 . 4.093 3.861 2.730 4.355 0.262 1 0 "[ . 1 . 2 .]" 1
463 1 87 ASN HA 1 88 ILE H 2.514 . 3.520 2.167 1.986 2.269 . 0 0 "[ . 1 . 2 .]" 1
464 1 88 ILE H 1 88 ILE HA 3.042 2.210 4.259 2.787 2.653 2.903 . 0 0 "[ . 1 . 2 .]" 1
465 1 88 ILE H 1 88 ILE QG 2.474 . 4.464 2.219 1.685 3.969 0.127 1 0 "[ . 1 . 2 .]" 1
466 1 88 ILE QG 1 89 LYS H 2.844 2.071 4.981 3.969 2.297 4.746 . 0 0 "[ . 1 . 2 .]" 1
467 1 88 ILE HA 1 89 LYS H 2.127 . 2.978 2.124 2.018 2.244 . 0 0 "[ . 1 . 2 .]" 1
468 1 89 LYS H 1 89 LYS QG 2.935 2.135 5.109 2.075 1.521 3.192 0.614 6 2 "[- .+ 1 . 2 .]" 1
469 1 89 LYS H 1 89 LYS QB 2.461 . 4.445 2.825 2.507 3.301 . 0 0 "[ . 1 . 2 .]" 1
470 1 89 LYS H 1 89 LYS HA 2.915 2.121 4.081 2.898 2.809 2.940 . 0 0 "[ . 1 . 2 .]" 1
471 1 89 LYS HA 1 90 GLY H 2.167 . 3.034 2.734 2.164 3.142 0.108 1 0 "[ . 1 . 2 .]" 1
472 1 90 GLY H 1 90 GLY QA 2.983 2.168 4.176 2.327 2.171 2.496 . 0 0 "[ . 1 . 2 .]" 1
473 1 90 GLY H 1 91 PRO HD2 2.810 2.047 4.934 4.894 4.683 4.989 0.055 10 0 "[ . 1 . 2 .]" 1
474 1 89 LYS QB 1 90 GLY H 2.482 . 4.475 3.789 2.307 4.010 . 0 0 "[ . 1 . 2 .]" 1
475 1 13 GLN H 1 92 TYR QB 3.105 2.253 5.347 5.066 4.337 5.317 . 0 0 "[ . 1 . 2 .]" 1
476 1 63 ASN H 1 92 TYR H 3.117 2.262 4.364 4.339 3.825 4.464 0.100 22 0 "[ . 1 . 2 .]" 1
477 1 92 TYR H 1 92 TYR QB 2.220 . 4.108 2.996 2.428 3.337 . 0 0 "[ . 1 . 2 .]" 1
478 1 92 TYR H 1 92 TYR QD 2.616 . 6.063 2.979 2.036 4.348 . 0 0 "[ . 1 . 2 .]" 1
479 1 92 TYR HA 1 93 ILE H 2.408 . 3.371 2.151 2.069 2.260 . 0 0 "[ . 1 . 2 .]" 1
480 1 60 ILE MG 1 61 PHE H 2.685 . 5.259 2.528 2.313 2.752 . 0 0 "[ . 1 . 2 .]" 1
481 1 93 ILE H 1 93 ILE QG 2.422 . 4.391 2.805 2.057 3.593 . 0 0 "[ . 1 . 2 .]" 1
482 1 93 ILE H 1 93 ILE HA 2.710 . 3.794 2.936 2.924 2.950 . 0 0 "[ . 1 . 2 .]" 1
483 1 60 ILE MG 1 94 GLU H 2.378 . 4.829 3.732 3.155 4.123 . 0 0 "[ . 1 . 2 .]" 1
484 1 61 PHE H 1 94 GLU H 3.098 2.249 4.337 3.145 2.620 3.503 . 0 0 "[ . 1 . 2 .]" 1
485 1 93 ILE HA 1 94 GLU H 2.178 . 3.049 2.133 2.082 2.298 . 0 0 "[ . 1 . 2 .]" 1
486 1 93 ILE MG 1 94 GLU H 2.537 . 5.052 2.742 2.399 3.932 . 0 0 "[ . 1 . 2 .]" 1
487 1 94 GLU H 1 94 GLU HB2 2.610 . 4.654 2.458 2.277 2.616 . 0 0 "[ . 1 . 2 .]" 1
488 1 94 GLU H 1 94 GLU HA 3.040 2.208 4.256 2.918 2.905 2.946 . 0 0 "[ . 1 . 2 .]" 1
489 1 94 GLU HB2 1 95 ILE H 2.227 . 4.118 2.641 2.356 3.019 . 0 0 "[ . 1 . 2 .]" 1
490 1 94 GLU HA 1 95 ILE H 2.275 . 3.185 2.175 2.116 2.255 . 0 0 "[ . 1 . 2 .]" 1
491 1 95 ILE H 1 95 ILE MD 2.697 . 5.276 4.248 3.665 4.780 . 0 0 "[ . 1 . 2 .]" 1
492 1 95 ILE H 1 95 ILE QG 2.565 2.126 4.591 3.204 2.379 4.155 . 0 0 "[ . 1 . 2 .]" 1
493 1 95 ILE HA 1 96 LYS H 2.067 . 2.894 2.177 2.127 2.260 . 0 0 "[ . 1 . 2 .]" 1
494 1 59 GLY H 1 96 LYS H 2.514 . 3.520 3.618 3.344 3.788 0.268 2 0 "[ . 1 . 2 .]" 1
495 1 59 GLY H 1 96 LYS QG 2.784 2.029 4.898 4.803 4.173 4.934 0.036 6 0 "[ . 1 . 2 .]" 1
496 1 96 LYS H 1 96 LYS QD 2.131 . 3.983 3.213 2.226 4.045 0.062 12 0 "[ . 1 . 2 .]" 1
497 1 96 LYS H 1 96 LYS HA 2.608 . 3.651 2.871 2.826 2.929 . 0 0 "[ . 1 . 2 .]" 1
498 1 96 LYS HA 1 97 GLN H 2.007 . 2.810 2.402 2.201 2.588 . 0 0 "[ . 1 . 2 .]" 1
499 1 96 LYS HB2 1 97 GLN H 2.317 . 4.244 2.610 2.233 3.003 . 0 0 "[ . 1 . 2 .]" 1
500 1 59 GLY H 1 97 GLN HA 3.005 2.183 4.207 2.432 2.136 2.774 0.047 8 0 "[ . 1 . 2 .]" 1
501 1 97 GLN H 1 97 GLN HA 2.822 2.055 3.951 2.892 2.782 2.929 . 0 0 "[ . 1 . 2 .]" 1
502 1 97 GLN H 1 97 GLN QB 2.598 . 4.637 2.851 2.075 3.098 . 0 0 "[ . 1 . 2 .]" 1
503 1 97 GLN H 1 97 GLN HG3 2.004 . 3.806 2.486 1.832 4.438 0.632 19 2 "[ . 1 -. +2 .]" 1
504 1 57 ASN QB 1 98 ILE H 3.150 2.285 5.410 3.823 3.030 4.310 . 0 0 "[ . 1 . 2 .]" 1
505 1 58 TRP HA 1 98 ILE H 3.656 2.639 5.000 3.016 2.723 3.220 . 0 0 "[ . 1 . 2 .]" 1
506 1 59 GLY H 1 98 ILE MD 2.884 2.099 5.538 3.938 2.859 4.727 . 0 0 "[ . 1 . 2 .]" 1
507 1 97 GLN HA 1 98 ILE H 1.998 . 2.797 2.444 2.260 2.569 . 0 0 "[ . 1 . 2 .]" 1
508 1 97 GLN QB 1 98 ILE H 3.138 2.277 5.393 2.358 2.054 3.644 0.223 8 0 "[ . 1 . 2 .]" 1
509 1 98 ILE H 1 98 ILE MD 2.257 . 4.660 3.343 2.190 3.823 . 0 0 "[ . 1 . 2 .]" 1
510 1 98 ILE H 1 98 ILE HG12 2.174 . 4.044 1.806 1.574 2.759 0.226 10 0 "[ . 1 . 2 .]" 1
511 1 98 ILE H 1 98 ILE HA 2.827 2.059 3.958 2.929 2.853 2.946 . 0 0 "[ . 1 . 2 .]" 1
512 1 98 ILE H 1 98 ILE MG 2.453 . 4.934 3.232 2.856 3.731 . 0 0 "[ . 1 . 2 .]" 1
513 1 6 ASN HA 1 8 LYS QB 2.438 . 4.169 3.700 3.262 3.884 . 0 0 "[ . 1 . 2 .]" 1
514 1 9 ALA HA 1 9 ALA MB 2.538 . 4.799 2.126 2.119 2.131 . 0 0 "[ . 1 . 2 .]" 1
515 1 10 LEU HA 1 10 LEU HB2 2.967 2.157 4.857 3.013 2.982 3.024 . 0 0 "[ . 1 . 2 .]" 1
516 1 10 LEU HA 1 10 LEU HB3 2.277 . 3.960 2.497 2.405 2.641 . 0 0 "[ . 1 . 2 .]" 1
517 1 13 GLN HB2 1 13 GLN QG 2.594 . 5.372 2.391 2.145 2.514 . 0 0 "[ . 1 . 2 .]" 1
518 1 13 GLN HB3 1 13 GLN QG 2.598 . 5.377 2.199 2.139 2.357 . 0 0 "[ . 1 . 2 .]" 1
519 1 13 GLN QG 1 17 ILE MG 2.492 . 5.740 4.143 2.993 5.326 . 0 0 "[ . 1 . 2 .]" 1
520 1 13 GLN HA 1 17 ILE MG 3.307 2.395 5.799 2.974 2.350 4.307 0.045 1 0 "[ . 1 . 2 .]" 1
521 1 14 MET HA 1 14 MET HB2 2.692 . 4.500 3.010 2.888 3.027 . 0 0 "[ . 1 . 2 .]" 1
522 1 14 MET HA 1 14 MET HB3 2.516 . 4.271 2.524 2.424 2.803 . 0 0 "[ . 1 . 2 .]" 1
523 1 15 ASN HA 1 15 ASN HB3 2.269 . 3.950 2.507 2.442 2.615 . 0 0 "[ . 1 . 2 .]" 1
524 1 16 SER HA 1 16 SER HB3 2.554 . 4.320 2.530 2.324 3.031 . 0 0 "[ . 1 . 2 .]" 1
525 1 13 GLN QG 1 17 ILE MD 2.862 2.083 6.221 4.131 2.317 5.562 . 0 0 "[ . 1 . 2 .]" 1
526 1 14 MET HA 1 17 ILE MD 3.414 2.470 5.938 5.300 4.084 6.235 0.297 17 0 "[ . 1 . 2 .]" 1
527 1 16 SER HB2 1 17 ILE HG12 3.333 2.413 6.333 5.570 3.012 7.224 0.891 6 1 "[ .+ 1 . 2 .]" 1
528 1 17 ILE HA 1 17 ILE HB 2.972 2.160 3.864 2.474 2.276 3.013 . 0 0 "[ . 1 . 2 .]" 1
529 1 17 ILE HA 1 17 ILE HG13 3.103 2.252 5.034 3.361 2.434 4.261 . 0 0 "[ . 1 . 2 .]" 1
530 1 17 ILE HB 1 17 ILE HG12 2.792 2.034 4.630 2.833 2.451 3.024 . 0 0 "[ . 1 . 2 .]" 1
531 1 17 ILE HA 1 17 ILE HG12 2.706 . 4.518 3.454 2.196 4.211 . 0 0 "[ . 1 . 2 .]" 1
532 1 17 ILE HB 1 17 ILE HG13 2.672 . 4.474 2.560 2.286 2.988 . 0 0 "[ . 1 . 2 .]" 1
533 1 17 ILE HG12 1 17 ILE MG 2.437 . 5.668 2.530 2.135 3.204 . 0 0 "[ . 1 . 2 .]" 1
534 1 17 ILE HG13 1 17 ILE MG 2.575 . 5.848 2.915 2.358 3.204 . 0 0 "[ . 1 . 2 .]" 1
535 1 17 ILE HB 1 17 ILE MG 2.194 . 4.352 2.122 2.116 2.129 . 0 0 "[ . 1 . 2 .]" 1
536 1 17 ILE HA 1 17 ILE MG 2.474 . 4.716 2.694 2.186 3.217 . 0 0 "[ . 1 . 2 .]" 1
537 1 17 ILE HA 1 17 ILE MD 2.628 . 4.916 3.727 2.087 4.127 . 0 0 "[ . 1 . 2 .]" 1
538 1 17 ILE MD 1 17 ILE HG13 2.434 . 5.664 2.118 2.114 2.123 . 0 0 "[ . 1 . 2 .]" 1
539 1 17 ILE MD 1 17 ILE HG12 2.568 . 5.838 2.116 2.109 2.121 . 0 0 "[ . 1 . 2 .]" 1
540 1 17 ILE MD 1 20 VAL HB 2.575 . 4.847 4.761 3.406 5.020 0.173 21 0 "[ . 1 . 2 .]" 1
541 1 17 ILE MD 1 34 SER HA 3.122 2.265 5.559 3.641 2.571 5.631 0.072 4 0 "[ . 1 . 2 .]" 1
542 1 13 GLN HA 1 17 ILE MD 3.061 2.223 5.479 3.488 2.164 4.974 0.059 19 0 "[ . 1 . 2 .]" 1
543 1 19 SER HA 1 19 SER HB2 3.740 2.698 5.862 2.726 2.440 3.034 0.258 2 0 "[ . 1 . 2 .]" 1
544 1 16 SER HB2 1 20 VAL MG2 3.108 2.256 6.040 5.405 4.726 6.079 0.039 3 0 "[ . 1 . 2 .]" 1
545 1 17 ILE HB 1 20 VAL MG2 2.828 2.060 4.676 4.459 3.865 5.341 0.665 19 1 "[ . 1 . +2 .]" 1
546 1 17 ILE HA 1 20 VAL HB 2.840 2.068 3.692 2.758 1.917 3.713 0.151 19 0 "[ . 1 . 2 .]" 1
547 1 17 ILE HA 1 20 VAL MG2 2.794 2.036 4.632 2.608 2.290 2.827 . 0 0 "[ . 1 . 2 .]" 1
548 1 17 ILE MG 1 20 VAL HB 3.366 2.436 5.376 4.389 3.113 5.075 . 0 0 "[ . 1 . 2 .]" 1
549 1 20 VAL HB 1 20 VAL MG1 2.461 . 4.199 2.129 2.111 2.136 . 0 0 "[ . 1 . 2 .]" 1
550 1 20 VAL HB 1 20 VAL MG2 2.398 . 3.617 2.128 2.116 2.133 . 0 0 "[ . 1 . 2 .]" 1
551 1 20 VAL HA 1 20 VAL HB 2.444 . 3.177 3.026 2.970 3.038 . 0 0 "[ . 1 . 2 .]" 1
552 1 20 VAL HA 1 20 VAL MG1 2.542 . 4.305 2.413 2.256 2.713 . 0 0 "[ . 1 . 2 .]" 1
553 1 20 VAL HA 1 20 VAL MG2 2.524 . 3.781 2.378 2.202 2.525 . 0 0 "[ . 1 . 2 .]" 1
554 1 20 VAL MG2 1 24 LEU HG 2.718 . 4.533 4.578 4.323 4.713 0.180 4 0 "[ . 1 . 2 .]" 1
555 1 21 ASN HA 1 21 ASN HB2 2.273 . 3.955 2.994 2.942 3.041 . 0 0 "[ . 1 . 2 .]" 1
556 1 21 ASN HA 1 21 ASN HB3 2.591 . 4.368 2.624 2.487 2.745 . 0 0 "[ . 1 . 2 .]" 1
557 1 19 SER HA 1 22 ASP HB3 2.845 2.071 4.699 4.640 4.165 4.757 0.058 17 0 "[ . 1 . 2 .]" 1
558 1 19 SER HA 1 22 ASP HB2 2.399 . 4.119 2.995 2.579 3.209 . 0 0 "[ . 1 . 2 .]" 1
559 1 22 ASP HA 1 25 ASN HB3 2.739 . 4.561 4.292 3.827 4.806 0.245 16 0 "[ . 1 . 2 .]" 1
560 1 19 SER HA 1 23 LYS HB2 3.598 2.599 5.677 5.310 4.544 5.772 0.095 6 0 "[ . 1 . 2 .]" 1
561 1 20 VAL HA 1 23 LYS HG2 3.574 2.582 5.646 4.556 2.981 5.151 . 0 0 "[ . 1 . 2 .]" 1
562 1 20 VAL HA 1 23 LYS HD2 3.363 2.434 5.372 4.384 2.589 5.471 0.099 19 0 "[ . 1 . 2 .]" 1
563 1 20 VAL HA 1 23 LYS HD3 3.214 2.330 5.178 4.192 2.421 5.483 0.305 7 0 "[ . 1 . 2 .]" 1
564 1 20 VAL HA 1 23 LYS HB2 2.462 . 4.200 2.835 2.032 3.701 . 0 0 "[ . 1 . 2 .]" 1
565 1 20 VAL HA 1 23 LYS HG3 2.775 2.022 4.608 4.334 3.046 5.533 0.925 5 7 "[ * + 1 .* * 2* -*]" 1
566 1 23 LYS HD2 1 23 LYS HE2 2.473 . 5.215 2.730 2.419 3.018 . 0 0 "[ . 1 . 2 .]" 1
567 1 23 LYS HA 1 23 LYS HE2 3.328 2.410 5.326 4.724 1.863 5.782 0.547 10 1 "[ . + . 2 .]" 1
568 1 23 LYS HA 1 23 LYS HG3 2.478 . 4.221 2.955 2.382 3.739 . 0 0 "[ . 1 . 2 .]" 1
569 1 23 LYS HA 1 23 LYS HG2 2.348 . 4.052 2.909 2.388 3.808 . 0 0 "[ . 1 . 2 .]" 1
570 1 23 LYS HE2 1 23 LYS HG3 2.977 2.164 5.870 3.165 2.418 4.238 . 0 0 "[ . 1 . 2 .]" 1
571 1 23 LYS HE2 1 23 LYS HG2 2.966 2.156 5.856 3.139 2.377 4.201 . 0 0 "[ . 1 . 2 .]" 1
572 1 23 LYS HB2 1 23 LYS HG2 2.704 . 5.515 2.856 2.409 3.013 . 0 0 "[ . 1 . 2 .]" 1
573 1 23 LYS HB2 1 23 LYS HG3 2.704 . 5.515 2.475 2.209 3.014 . 0 0 "[ . 1 . 2 .]" 1
574 1 20 VAL MG2 1 24 LEU MD1 3.481 2.517 7.925 4.270 4.078 4.531 . 0 0 "[ . 1 . 2 .]" 1
575 1 20 VAL MG1 1 24 LEU MD1 2.202 . 6.263 2.043 1.831 2.241 . 0 0 "[ . 1 . 2 .]" 1
576 1 21 ASN HA 1 24 LEU QB 3.429 2.480 5.104 2.921 2.551 3.465 . 0 0 "[ . 1 . 2 .]" 1
577 1 21 ASN HA 1 24 LEU HG 3.227 2.339 4.195 3.900 3.228 4.248 0.053 16 0 "[ . 1 . 2 .]" 1
578 1 23 LYS HB2 1 24 LEU MD1 2.743 . 6.966 5.559 4.628 6.395 . 0 0 "[ . 1 . 2 .]" 1
579 1 24 LEU HA 1 24 LEU QB 2.305 . 3.995 2.381 2.346 2.440 . 0 0 "[ . 1 . 2 .]" 1
580 1 24 LEU HA 1 24 LEU HG 2.177 . 3.830 3.128 2.768 3.316 . 0 0 "[ . 1 . 2 .]" 1
581 1 24 LEU QB 1 24 LEU HG 2.408 . 4.130 2.334 2.251 2.428 . 0 0 "[ . 1 . 2 .]" 1
582 1 24 LEU QB 1 24 LEU MD1 2.322 . 7.117 2.098 2.073 2.125 . 0 0 "[ . 1 . 2 .]" 1
583 1 24 LEU HA 1 24 LEU MD1 2.054 . 5.970 3.801 3.680 3.876 . 0 0 "[ . 1 . 2 .]" 1
584 1 24 LEU MD1 1 24 LEU HG 2.068 . 5.988 2.119 2.108 2.124 . 0 0 "[ . 1 . 2 .]" 1
585 1 24 LEU QB 1 25 ASN HA 2.738 2.002 4.559 4.039 3.906 4.102 . 0 0 "[ . 1 . 2 .]" 1
586 1 24 LEU MD1 1 26 LYS QE 3.291 2.384 7.678 6.249 5.126 6.923 . 0 0 "[ . 1 . 2 .]" 1
587 1 24 LEU MD1 1 58 TRP HD1 2.578 . 8.151 4.643 4.070 5.136 . 0 0 "[ . 1 . 2 .]" 1
588 1 24 LEU MD1 1 58 TRP HH2 3.033 2.203 8.743 2.841 2.214 3.734 . 0 0 "[ . 1 . 2 .]" 1
589 1 24 LEU MD1 1 95 ILE MG 3.664 2.645 8.663 3.244 2.109 4.660 0.536 1 1 "[+ . 1 . 2 .]" 1
590 1 24 LEU MD1 1 76 VAL MG2 2.112 . 6.646 4.755 3.775 5.497 . 0 0 "[ . 1 . 2 .]" 1
591 1 25 ASN HA 1 25 ASN HB3 2.414 . 4.138 2.610 2.538 2.673 . 0 0 "[ . 1 . 2 .]" 1
592 1 22 ASP HA 1 25 ASN HB3 3.033 2.203 4.943 3.998 3.673 4.297 . 0 0 "[ . 1 . 2 .]" 1
593 1 22 ASP HA 1 25 ASN HB2 2.905 2.114 4.776 2.834 2.467 3.324 . 0 0 "[ . 1 . 2 .]" 1
594 1 23 LYS HA 1 26 LYS QG 3.346 2.422 5.350 4.722 3.846 5.463 0.113 25 0 "[ . 1 . 2 .]" 1
595 1 24 LEU HA 1 26 LYS QE 3.356 2.429 5.363 4.274 2.904 5.147 . 0 0 "[ . 1 . 2 .]" 1
596 1 26 LYS HA 1 26 LYS QG 2.195 . 3.854 3.353 3.274 3.442 . 0 0 "[ . 1 . 2 .]" 1
597 1 26 LYS HB3 1 26 LYS QG 2.393 . 5.111 2.186 2.142 2.375 . 0 0 "[ . 1 . 2 .]" 1
598 1 26 LYS HB2 1 26 LYS QG 2.360 . 5.068 2.386 2.315 2.492 . 0 0 "[ . 1 . 2 .]" 1
599 1 26 LYS HA 1 26 LYS HB3 2.264 . 3.943 2.293 2.235 2.371 . 0 0 "[ . 1 . 2 .]" 1
600 1 26 LYS HA 1 26 LYS HB2 2.355 . 4.062 2.632 2.550 2.734 . 0 0 "[ . 1 . 2 .]" 1
601 1 26 LYS HD2 1 26 LYS QG 2.195 . 4.854 2.384 2.271 2.530 . 0 0 "[ . 1 . 2 .]" 1
602 1 26 LYS QE 1 26 LYS QG 2.779 2.025 5.330 2.382 2.146 2.508 . 0 0 "[ . 1 . 2 .]" 1
603 1 26 LYS HB3 1 26 LYS HD2 2.809 2.046 5.652 3.634 3.143 3.832 . 0 0 "[ . 1 . 2 .]" 1
604 1 26 LYS HD2 1 26 LYS QE 2.286 . 4.972 2.212 2.162 2.348 . 0 0 "[ . 1 . 2 .]" 1
605 1 26 LYS HD2 1 51 ILE HB 2.710 . 4.523 4.758 4.454 5.360 0.837 2 4 "[ + . 1- .* 2* .]" 1
606 1 26 LYS QE 1 52 SER QB 2.964 2.272 5.853 4.670 3.501 5.171 . 0 0 "[ . 1 . 2 .]" 1
607 1 28 LYS HA 1 28 LYS HB3 2.630 . 4.419 2.707 2.356 3.012 . 0 0 "[ . 1 . 2 .]" 1
608 1 28 LYS HB3 1 28 LYS QG 2.583 . 5.358 2.350 2.170 2.478 . 0 0 "[ . 1 . 2 .]" 1
609 1 28 LYS HA 1 28 LYS QG 2.784 2.081 4.619 2.438 2.189 2.887 . 0 0 "[ . 1 . 2 .]" 1
610 1 28 LYS QE 1 28 LYS QG 3.071 2.230 5.189 2.336 2.127 2.745 0.103 15 0 "[ . 1 . 2 .]" 1
611 1 28 LYS HA 1 28 LYS QD 2.723 . 4.540 3.386 2.157 4.082 . 0 0 "[ . 1 . 2 .]" 1
612 1 28 LYS HB3 1 28 LYS QD 2.686 . 5.492 2.444 2.076 3.439 . 0 0 "[ . 1 . 2 .]" 1
613 1 28 LYS QD 1 28 LYS QE 2.095 . 4.723 2.047 1.992 2.093 . 0 0 "[ . 1 . 2 .]" 1
614 1 28 LYS HB3 1 28 LYS QE 3.099 2.249 6.029 3.331 1.948 4.178 0.301 10 0 "[ . 1 . 2 .]" 1
615 1 28 LYS HB3 1 50 GLY HA3 3.627 2.619 5.715 5.656 4.964 5.901 0.186 25 0 "[ . 1 . 2 .]" 1
616 1 28 LYS QG 1 29 GLY QA 2.619 . 4.221 3.075 2.892 3.416 . 0 0 "[ . 1 . 2 .]" 1
617 1 29 GLY QA 1 30 LYS HE2 2.744 2.012 4.567 4.166 3.247 5.280 0.713 5 2 "[ + 1 - . 2 .]" 1
618 1 25 ASN HA 1 30 LYS QG 2.800 2.040 4.640 3.939 3.578 4.455 . 0 0 "[ . 1 . 2 .]" 1
619 1 30 LYS QB 1 30 LYS QG 2.732 . 4.945 2.065 1.994 2.090 . 0 0 "[ . 1 . 2 .]" 1
620 1 30 LYS HA 1 30 LYS QB 2.291 . 3.978 2.168 2.147 2.309 . 0 0 "[ . 1 . 2 .]" 1
621 1 30 LYS HE2 1 30 LYS QG 2.448 . 5.135 2.767 2.295 3.092 . 0 0 "[ . 1 . 2 .]" 1
622 1 30 LYS HA 1 30 LYS QG 2.561 2.006 4.329 3.298 2.797 3.461 . 0 0 "[ . 1 . 2 .]" 1
623 1 30 LYS HD2 1 30 LYS QG 2.249 . 4.924 2.176 2.147 2.299 . 0 0 "[ . 1 . 2 .]" 1
624 1 30 LYS HA 1 30 LYS HE2 3.154 2.288 5.100 4.203 2.022 4.905 0.266 13 0 "[ . 1 . 2 .]" 1
625 1 30 LYS QG 1 45 SER HA 2.689 2.417 4.496 3.970 3.888 4.068 . 0 0 "[ . 1 . 2 .]" 1
626 1 30 LYS QG 1 45 SER QB 2.884 2.099 5.500 2.057 1.892 2.231 0.207 23 0 "[ . 1 . 2 .]" 1
627 1 30 LYS QB 1 45 SER QB 2.211 . 4.501 3.797 2.234 4.004 . 0 0 "[ . 1 . 2 .]" 1
628 1 24 LEU QB 1 31 LEU QD 2.550 . 7.615 3.096 1.900 4.111 0.011 24 0 "[ . 1 . 2 .]" 1
629 1 24 LEU HG 1 31 LEU QD 1.839 . 5.691 4.302 3.689 4.901 . 0 0 "[ . 1 . 2 .]" 1
630 1 24 LEU MD1 1 31 LEU QD 2.088 . 6.014 2.094 1.727 2.588 0.073 11 0 "[ . 1 . 2 .]" 1
631 1 31 LEU QB 1 31 LEU HG 2.468 2.004 4.208 2.396 2.283 2.465 . 0 0 "[ . 1 . 2 .]" 1
632 1 31 LEU HA 1 31 LEU QB 2.527 2.004 3.968 2.393 2.156 2.540 . 0 0 "[ . 1 . 2 .]" 1
633 1 31 LEU HA 1 31 LEU HG 2.464 . 3.203 2.740 2.387 3.691 0.488 22 0 "[ . 1 . 2 .]" 1
634 1 31 LEU HA 1 31 LEU QD 2.949 2.144 5.009 2.653 1.899 3.313 0.245 7 0 "[ . 1 . 2 .]" 1
635 1 31 LEU QB 1 31 LEU QD 2.853 2.336 6.058 1.925 1.887 1.976 0.449 1 0 "[ . 1 . 2 .]" 1
636 1 31 LEU QD 1 31 LEU HG 2.094 . 4.739 1.894 1.891 1.900 . 0 0 "[ . 1 . 2 .]" 1
637 1 31 LEU MD1 1 31 LEU MD2 2.027 . 8.335 2.079 2.059 2.088 . 0 0 "[ . 1 . 2 .]" 1
638 1 31 LEU HG 1 33 LEU HA 2.973 2.161 3.865 3.353 2.726 3.633 . 0 0 "[ . 1 . 2 .]" 1
639 1 31 LEU QD 1 33 LEU HG 3.078 2.235 7.301 3.562 1.848 4.764 0.387 18 0 "[ . 1 . 2 .]" 1
640 1 31 LEU QD 1 33 LEU MD2 2.335 . 8.736 2.821 1.800 3.983 0.000 19 0 "[ . 1 . 2 .]" 1
641 1 31 LEU QD 1 42 ALA MB 1.975 . 6.468 2.418 1.751 3.472 0.049 25 0 "[ . 1 . 2 .]" 1
642 1 31 LEU QD 1 42 ALA HA 2.822 2.055 6.069 4.401 3.249 5.840 . 0 0 "[ . 1 . 2 .]" 1
643 1 31 LEU QD 1 43 THR HA 3.589 2.592 7.066 5.222 3.560 6.503 . 0 0 "[ . 1 . 2 .]" 1
644 1 31 LEU QD 1 44 SER HB2 3.245 2.352 7.618 4.587 3.555 5.609 . 0 0 "[ . 1 . 2 .]" 1
645 1 31 LEU QD 1 44 SER HB3 3.044 2.211 5.890 4.060 2.290 5.521 . 0 0 "[ . 1 . 2 .]" 1
646 1 31 LEU QD 1 44 SER HA 2.766 2.016 5.996 4.149 2.852 4.859 . 0 0 "[ . 1 . 2 .]" 1
647 1 31 LEU QD 1 70 PHE QE 3.073 2.231 8.795 3.332 2.716 4.057 . 0 0 "[ . 1 . 2 .]" 1
648 1 31 LEU QD 1 76 VAL HB 3.432 2.482 5.538 4.210 3.438 5.194 . 0 0 "[ . 1 . 2 .]" 1
649 1 31 LEU QD 1 76 VAL HA 2.702 . 5.912 4.067 3.588 5.027 . 0 0 "[ . 1 . 2 .]" 1
650 1 31 LEU QD 1 79 ILE HB 2.468 . 5.608 3.923 3.133 4.933 . 0 0 "[ . 1 . 2 .]" 1
651 1 31 LEU QD 1 80 SER QB 2.590 . 6.767 2.433 1.727 3.170 0.267 7 0 "[ . 1 . 2 .]" 1
652 1 32 SER HA 1 32 SER QB 2.295 . 3.984 2.383 2.330 2.447 . 0 0 "[ . 1 . 2 .]" 1
653 1 32 SER QB 1 43 THR HG1 2.721 . 4.515 2.288 1.960 3.174 0.025 16 0 "[ . 1 . 2 .]" 1
654 1 32 SER QB 1 43 THR HA 2.973 2.161 4.865 4.629 4.191 4.811 . 0 0 "[ . 1 . 2 .]" 1
655 1 32 SER QB 1 43 THR HB 3.399 2.459 5.419 3.942 2.305 4.189 0.154 22 0 "[ . 1 . 2 .]" 1
656 1 31 LEU QB 1 33 LEU HA 3.365 2.436 5.374 3.365 2.721 3.904 . 0 0 "[ . 1 . 2 .]" 1
657 1 31 LEU QB 1 33 LEU HB3 2.758 2.011 4.585 3.242 2.176 4.135 . 0 0 "[ . 1 . 2 .]" 1
658 1 32 SER QB 1 33 LEU MD1 2.978 2.165 7.271 5.078 4.112 6.422 . 0 0 "[ . 1 . 2 .]" 1
659 1 32 SER HA 1 33 LEU MD2 3.364 2.435 6.773 4.242 2.547 5.624 . 0 0 "[ . 1 . 2 .]" 1
660 1 33 LEU HA 1 33 LEU HB2 2.578 . 4.351 3.003 2.930 3.018 . 0 0 "[ . 1 . 2 .]" 1
661 1 33 LEU HA 1 33 LEU HG 2.819 2.053 3.665 3.173 2.494 3.722 0.057 17 0 "[ . 1 . 2 .]" 1
662 1 33 LEU HA 1 33 LEU HB3 2.410 . 4.133 2.416 2.257 2.555 . 0 0 "[ . 1 . 2 .]" 1
663 1 33 LEU HA 1 33 LEU MD2 2.252 . 5.328 3.061 1.988 3.868 . 0 0 "[ . 1 . 2 .]" 1
664 1 33 LEU HB2 1 33 LEU MD2 2.127 . 6.165 2.671 2.169 3.205 . 0 0 "[ . 1 . 2 .]" 1
665 1 33 LEU HB3 1 33 LEU MD2 2.347 . 6.451 2.544 2.147 3.193 . 0 0 "[ . 1 . 2 .]" 1
666 1 33 LEU HB2 1 33 LEU HG 2.577 . 4.350 2.682 2.388 3.019 . 0 0 "[ . 1 . 2 .]" 1
667 1 33 LEU HB3 1 33 LEU HG 2.766 2.016 4.596 2.651 2.283 3.020 . 0 0 "[ . 1 . 2 .]" 1
668 1 33 LEU HB2 1 33 LEU MD1 2.437 . 7.468 2.562 2.164 3.187 . 0 0 "[ . 1 . 2 .]" 1
669 1 33 LEU MD1 1 33 LEU HG 2.072 . 5.993 2.119 2.105 2.128 . 0 0 "[ . 1 . 2 .]" 1
670 1 33 LEU HB3 1 33 LEU MD1 2.191 . 7.148 2.708 2.265 3.223 . 0 0 "[ . 1 . 2 .]" 1
671 1 33 LEU HA 1 33 LEU MD1 1.939 . 5.821 3.120 2.000 3.959 . 0 0 "[ . 1 . 2 .]" 1
672 1 33 LEU MD2 1 33 LEU HG 2.186 . 5.242 2.122 2.107 2.128 . 0 0 "[ . 1 . 2 .]" 1
673 1 33 LEU MD1 1 34 SER HB3 3.599 2.599 8.079 6.931 5.836 7.714 . 0 0 "[ . 1 . 2 .]" 1
674 1 33 LEU MD1 1 34 SER HB2 3.324 2.407 7.721 6.629 5.862 7.636 . 0 0 "[ . 1 . 2 .]" 1
675 1 20 VAL HA 1 33 LEU MD2 3.285 2.380 7.670 5.293 4.291 6.219 . 0 0 "[ . 1 . 2 .]" 1
676 1 33 LEU QD 1 42 ALA HA 2.379 . 5.493 3.961 3.021 5.087 . 0 0 "[ . 1 . 2 .]" 1
677 1 33 LEU MD1 1 42 ALA MB 2.026 . 6.534 3.545 1.922 5.143 . 0 0 "[ . 1 . 2 .]" 1
678 1 17 ILE MD 1 34 SER HA 2.330 . 4.529 3.399 2.563 4.599 0.070 19 0 "[ . 1 . 2 .]" 1
679 1 17 ILE MG 1 34 SER HA 2.684 . 4.989 4.837 3.571 5.138 0.149 1 0 "[ . 1 . 2 .]" 1
680 1 33 LEU HB2 1 34 SER HA 3.249 2.354 5.224 4.378 4.115 4.648 . 0 0 "[ . 1 . 2 .]" 1
681 1 33 LEU HA 1 34 SER HA 3.110 2.257 4.043 4.316 4.287 4.350 0.307 12 0 "[ . 1 . 2 .]" 1
682 1 35 MET HA 1 35 MET HB2 2.580 . 4.354 3.013 2.779 3.030 . 0 0 "[ . 1 . 2 .]" 1
683 1 35 MET HA 1 39 GLN HG2 2.979 2.165 4.873 4.568 3.505 4.916 0.043 19 0 "[ . 1 . 2 .]" 1
684 1 36 ASN HA 1 36 ASN HB3 2.316 . 4.011 2.815 2.388 3.033 . 0 0 "[ . 1 . 2 .]" 1
685 1 36 ASN HB2 1 39 GLN HB2 3.792 2.734 5.930 5.401 3.873 6.263 0.333 17 0 "[ . 1 . 2 .]" 1
686 1 38 ASN HD21 1 87 ASN HA 3.530 2.551 4.589 4.692 4.277 4.774 0.185 12 0 "[ . 1 . 2 .]" 1
687 1 36 ASN HB3 1 39 GLN HB2 3.254 2.358 6.230 4.864 3.690 6.609 0.379 25 0 "[ . 1 . 2 .]" 1
688 1 39 GLN HA 1 39 GLN HB3 2.755 2.009 4.581 2.922 2.517 3.023 . 0 0 "[ . 1 . 2 .]" 1
689 1 39 GLN HA 1 39 GLN HB2 2.410 . 4.133 2.407 2.343 2.467 . 0 0 "[ . 1 . 2 .]" 1
690 1 39 GLN HA 1 39 GLN HG2 2.734 . 4.554 3.222 2.970 3.821 . 0 0 "[ . 1 . 2 .]" 1
691 1 39 GLN HA 1 39 GLN HB3 2.206 . 3.868 2.474 2.404 2.553 . 0 0 "[ . 1 . 2 .]" 1
692 1 39 GLN HA 1 39 GLN HG3 2.781 2.027 4.615 2.831 2.525 3.746 . 0 0 "[ . 1 . 2 .]" 1
693 1 39 GLN HB2 1 39 GLN HG2 2.338 . 5.039 3.011 3.003 3.015 . 0 0 "[ . 1 . 2 .]" 1
694 1 39 GLN HB3 1 39 GLN HG2 2.303 . 4.994 2.472 2.421 2.522 . 0 0 "[ . 1 . 2 .]" 1
695 1 31 LEU QB 1 33 LEU HB2 2.655 . 7.752 4.343 3.446 5.082 . 0 0 "[ . 1 . 2 .]" 1
696 1 31 LEU HG 1 33 LEU MD1 2.064 . 8.383 3.237 1.807 4.811 . 0 0 "[ . 1 . 2 .]" 1
697 1 32 SER HA 1 33 LEU MD1 2.901 2.111 7.071 3.964 2.676 5.201 . 0 0 "[ . 1 . 2 .]" 1
698 1 33 LEU HB2 1 40 LEU QD 2.261 . 7.239 4.532 3.470 5.418 . 0 0 "[ . 1 . 2 .]" 1
699 1 35 MET HB2 1 40 LEU QD 2.230 . 4.290 4.085 3.463 4.275 . 0 0 "[ . 1 . 2 .]" 1
700 1 35 MET HA 1 40 LEU HA 2.573 . 3.345 2.728 2.184 3.272 . 0 0 "[ . 1 . 2 .]" 1
701 1 35 MET HA 1 40 LEU QD 2.661 . 4.859 2.774 2.231 3.307 . 0 0 "[ . 1 . 2 .]" 1
702 1 40 LEU HA 1 40 LEU QD 2.793 2.035 6.031 1.994 1.951 2.213 0.084 8 0 "[ . 1 . 2 .]" 1
703 1 40 LEU QD 1 40 LEU HG 2.756 2.014 5.992 1.889 1.885 1.895 0.129 24 0 "[ . 1 . 2 .]" 1
704 1 40 LEU HA 1 41 LYS QG 2.997 2.178 4.896 3.903 3.497 4.670 . 0 0 "[ . 1 . 2 .]" 1
705 1 40 LEU QD 1 41 LYS QG 2.058 . 5.075 3.834 3.697 4.071 . 0 0 "[ . 1 . 2 .]" 1
706 1 41 LYS HA 1 41 LYS QB 2.293 . 3.981 2.187 2.177 2.195 . 0 0 "[ . 1 . 2 .]" 1
707 1 41 LYS HA 1 41 LYS QG 2.766 2.016 4.585 3.399 3.355 3.527 . 0 0 "[ . 1 . 2 .]" 1
708 1 41 LYS HE3 1 41 LYS QG 2.882 2.146 5.747 2.712 2.290 3.320 . 0 0 "[ . 1 . 2 .]" 1
709 1 41 LYS QB 1 41 LYS HE3 3.260 2.362 6.081 3.869 2.140 4.396 0.222 15 0 "[ . 1 . 2 .]" 1
710 1 41 LYS QB 1 41 LYS QG 2.673 . 4.937 2.065 2.012 2.089 . 0 0 "[ . 1 . 2 .]" 1
711 1 41 LYS HA 1 41 LYS HD3 3.210 2.327 5.173 4.723 3.863 5.182 0.009 5 0 "[ . 1 . 2 .]" 1
712 1 41 LYS HA 1 41 LYS HD2 3.078 2.235 5.001 4.648 3.974 5.234 0.233 11 0 "[ . 1 . 2 .]" 1
713 1 41 LYS HE2 1 41 LYS QG 3.578 2.585 5.813 2.647 2.270 3.453 0.315 16 0 "[ . 1 . 2 .]" 1
714 1 41 LYS QB 1 41 LYS HE2 3.292 2.590 6.280 3.902 2.162 4.254 0.428 11 0 "[ . 1 . 2 .]" 1
715 1 41 LYS HD2 1 41 LYS QG 2.206 . 4.868 2.349 2.168 2.455 . 0 0 "[ . 1 . 2 .]" 1
716 1 41 LYS HD2 1 41 LYS HE3 2.427 . 5.155 2.573 2.340 3.015 . 0 0 "[ . 1 . 2 .]" 1
717 1 41 LYS HD3 1 41 LYS HE3 2.514 . 5.268 2.716 2.417 3.018 . 0 0 "[ . 1 . 2 .]" 1
718 1 32 SER QB 1 42 ALA HA 3.054 2.218 4.970 3.745 3.325 4.178 . 0 0 "[ . 1 . 2 .]" 1
719 1 42 ALA HA 1 42 ALA MB 1.965 . 4.054 2.131 2.120 2.136 . 0 0 "[ . 1 . 2 .]" 1
720 1 42 ALA HA 1 43 THR HA 3.729 2.690 4.848 4.365 4.329 4.491 . 0 0 "[ . 1 . 2 .]" 1
721 1 42 ALA MB 1 83 ILE HB 2.639 . 4.931 3.843 2.953 4.778 . 0 0 "[ . 1 . 2 .]" 1
722 1 43 THR HA 1 43 THR HB 2.232 . 2.902 2.488 2.412 2.998 0.096 22 0 "[ . 1 . 2 .]" 1
723 1 43 THR HA 1 43 THR HG1 2.082 . 3.582 3.516 2.388 3.643 0.061 2 0 "[ . 1 . 2 .]" 1
724 1 43 THR HB 1 43 THR HG1 2.094 . 2.722 2.327 2.235 2.695 . 0 0 "[ . 1 . 2 .]" 1
725 1 43 THR HA 1 43 THR MG 2.303 . 4.494 2.364 2.262 2.438 . 0 0 "[ . 1 . 2 .]" 1
726 1 43 THR HB 1 43 THR MG 2.136 . 4.277 2.135 2.132 2.138 . 0 0 "[ . 1 . 2 .]" 1
727 1 30 LYS QB 1 44 SER HA 3.358 2.431 5.365 4.691 2.760 5.044 . 0 0 "[ . 1 . 2 .]" 1
728 1 30 LYS QG 1 44 SER HB3 3.225 2.337 6.193 5.276 4.210 5.641 . 0 0 "[ . 1 . 2 .]" 1
729 1 30 LYS QG 1 44 SER HB2 3.448 2.494 6.482 4.897 4.421 5.609 . 0 0 "[ . 1 . 2 .]" 1
730 1 30 LYS QG 1 44 SER HB3 2.430 . 5.159 2.746 1.984 4.327 . 0 0 "[ . 1 . 2 .]" 1
731 1 30 LYS QG 1 44 SER HA 3.515 2.541 5.569 3.546 3.141 4.452 . 0 0 "[ . 1 . 2 .]" 1
732 1 31 LEU HA 1 44 SER HB3 3.060 2.222 4.978 3.992 3.166 5.078 0.100 9 0 "[ . 1 . 2 .]" 1
733 1 31 LEU HA 1 44 SER HB2 2.766 2.016 4.596 4.490 3.535 5.061 0.465 10 0 "[ . 1 . 2 .]" 1
734 1 31 LEU HA 1 44 SER HA 2.179 . 2.833 2.806 2.542 2.943 0.110 13 0 "[ . 1 . 2 .]" 1
735 1 30 LYS QB 1 44 SER HA 3.291 2.384 5.278 4.091 2.740 4.385 . 0 0 "[ . 1 . 2 .]" 1
736 1 32 SER QB 1 43 THR HA 2.619 . 4.405 4.117 3.819 4.544 0.139 19 0 "[ . 1 . 2 .]" 1
737 1 44 SER HA 1 45 SER QB 4.284 3.079 6.000 4.216 3.904 4.466 . 0 0 "[ . 1 . 2 .]" 1
738 1 44 SER HA 1 45 SER HA 3.273 2.371 4.255 4.348 4.333 4.439 0.184 25 0 "[ . 1 . 2 .]" 1
739 1 44 SER HA 1 76 VAL HB 3.105 2.253 4.037 4.148 3.925 4.265 0.228 10 0 "[ . 1 . 2 .]" 1
740 1 30 LYS QG 1 46 ASN HB3 3.237 2.346 6.208 4.552 3.778 5.365 . 0 0 "[ . 1 . 2 .]" 1
741 1 30 LYS QG 1 46 ASN HB2 3.304 2.393 6.295 3.205 2.311 3.864 0.082 13 0 "[ . 1 . 2 .]" 1
742 1 46 ASN HA 1 46 ASN HB3 2.278 . 3.961 2.848 2.555 2.929 . 0 0 "[ . 1 . 2 .]" 1
743 1 46 ASN HA 1 46 ASN HB2 2.273 . 3.955 2.820 2.751 3.012 . 0 0 "[ . 1 . 2 .]" 1
744 1 45 SER HA 1 47 ALA MB 2.861 2.083 5.219 5.306 5.041 5.433 0.214 13 0 "[ . 1 . 2 .]" 1
745 1 25 ASN QD 1 28 LYS QE 3.023 2.196 7.330 5.842 4.040 6.911 . 0 0 "[ . 1 . 2 .]" 1
746 1 28 LYS QE 1 49 TYR QD 3.476 2.513 7.919 4.744 2.540 6.160 . 0 0 "[ . 1 . 2 .]" 1
747 1 28 LYS HB3 1 49 TYR HB2 3.186 2.310 6.142 4.875 2.944 6.043 . 0 0 "[ . 1 . 2 .]" 1
748 1 28 LYS QG 1 49 TYR HB2 3.255 2.359 6.231 4.538 2.702 6.388 0.157 4 0 "[ . 1 . 2 .]" 1
749 1 29 GLY QA 1 49 TYR HB2 3.098 2.249 5.027 3.929 3.253 4.311 . 0 0 "[ . 1 . 2 .]" 1
750 1 29 GLY QA 1 49 TYR HB3 2.648 . 4.442 4.283 3.480 4.739 0.297 13 0 "[ . 1 . 2 .]" 1
751 1 46 ASN HB3 1 49 TYR QE 3.594 2.596 8.072 5.747 4.841 6.253 . 0 0 "[ . 1 . 2 .]" 1
752 1 46 ASN HB2 1 49 TYR QE 3.675 2.652 8.178 7.132 6.262 7.681 . 0 0 "[ . 1 . 2 .]" 1
753 1 46 ASN HA 1 49 TYR QE 3.710 2.677 7.223 5.988 5.245 6.521 . 0 0 "[ . 1 . 2 .]" 1
754 1 49 TYR HA 1 49 TYR HB3 2.229 . 3.898 2.605 2.532 2.702 . 0 0 "[ . 1 . 2 .]" 1
755 1 49 TYR HA 1 49 TYR QD 2.706 . 5.918 2.753 1.974 3.084 0.000 17 0 "[ . 1 . 2 .]" 1
756 1 49 TYR HA 1 49 TYR HB2 2.277 . 3.960 2.999 2.952 3.017 . 0 0 "[ . 1 . 2 .]" 1
757 1 28 LYS HB3 1 50 GLY HA2 3.577 2.584 5.650 5.480 4.746 5.865 0.215 19 0 "[ . 1 . 2 .]" 1
758 1 50 GLY HA2 1 51 ILE MD 2.999 2.179 5.399 4.738 3.125 5.611 0.212 20 0 "[ . 1 . 2 .]" 1
759 1 50 GLY HA3 1 51 ILE MD 2.938 2.137 5.319 4.729 2.951 5.455 0.136 19 0 "[ . 1 . 2 .]" 1
760 1 50 GLY HA2 1 75 THR MG 3.217 2.332 5.682 4.747 3.510 5.089 . 0 0 "[ . 1 . 2 .]" 1
761 1 50 GLY HA3 1 75 THR MG 3.201 2.321 5.661 4.594 3.745 4.991 . 0 0 "[ . 1 . 2 .]" 1
762 1 26 LYS QE 1 51 ILE MG 2.885 2.099 6.251 2.649 1.965 6.308 0.134 21 0 "[ . 1 . 2 .]" 1
763 1 51 ILE HA 1 51 ILE HB 2.969 2.158 3.860 2.975 2.752 3.013 . 0 0 "[ . 1 . 2 .]" 1
764 1 51 ILE HA 1 51 ILE MG 2.027 . 4.135 2.327 2.155 2.508 . 0 0 "[ . 1 . 2 .]" 1
765 1 51 ILE HB 1 51 ILE HG12 2.375 . 4.087 2.735 2.347 3.023 . 0 0 "[ . 1 . 2 .]" 1
766 1 51 ILE HB 1 51 ILE MD 2.558 . 4.826 2.657 2.248 3.245 . 0 0 "[ . 1 . 2 .]" 1
767 1 51 ILE HA 1 51 ILE HG13 2.615 . 4.400 3.302 2.376 3.853 . 0 0 "[ . 1 . 2 .]" 1
768 1 51 ILE HA 1 51 ILE HG12 2.316 . 4.011 3.068 2.599 4.106 0.095 2 0 "[ . 1 . 2 .]" 1
769 1 51 ILE HB 1 51 ILE HG13 2.708 . 4.520 2.580 2.375 3.015 . 0 0 "[ . 1 . 2 .]" 1
770 1 51 ILE MD 1 51 ILE HG13 2.176 . 5.329 2.113 2.088 2.121 . 0 0 "[ . 1 . 2 .]" 1
771 1 51 ILE MD 1 51 ILE HG12 2.191 . 5.348 2.112 2.090 2.121 . 0 0 "[ . 1 . 2 .]" 1
772 1 51 ILE HG13 1 51 ILE MG 2.036 . 5.147 2.782 2.213 3.199 . 0 0 "[ . 1 . 2 .]" 1
773 1 51 ILE HB 1 51 ILE MG 1.940 . 4.022 2.117 2.084 2.133 . 0 0 "[ . 1 . 2 .]" 1
774 1 51 ILE HB 1 52 SER QB 2.618 . 4.403 3.591 3.009 4.296 . 0 0 "[ . 1 . 2 .]" 1
775 1 51 ILE MG 1 52 SER QB 2.165 . 5.315 2.734 1.937 4.188 . 0 0 "[ . 1 . 2 .]" 1
776 1 51 ILE MG 1 52 SER HA 3.053 2.217 5.469 4.132 3.115 5.398 . 0 0 "[ . 1 . 2 .]" 1
777 1 26 LYS QE 1 51 ILE HA 3.232 2.343 6.201 2.427 1.872 3.469 0.471 13 0 "[ . 1 . 2 .]" 1
778 1 28 LYS QD 1 52 SER QB 2.688 . 5.494 3.805 2.464 4.707 . 0 0 "[ . 1 . 2 .]" 1
779 1 28 LYS QD 1 52 SER HA 2.672 . 4.473 3.080 2.061 4.120 . 0 0 "[ . 1 . 2 .]" 1
780 1 28 LYS QG 1 52 SER HA 2.915 2.121 4.789 4.013 2.176 4.705 . 0 0 "[ . 1 . 2 .]" 1
781 1 28 LYS QG 1 52 SER QB 2.774 2.022 5.606 4.059 2.252 5.153 . 0 0 "[ . 1 . 2 .]" 1
782 1 51 ILE HB 1 52 SER HA 3.109 2.256 4.042 4.311 4.116 4.452 0.410 17 0 "[ . 1 . 2 .]" 1
783 1 52 SER HA 1 52 SER QB 2.150 . 3.721 2.330 2.191 2.448 . 0 0 "[ . 1 . 2 .]" 1
784 1 51 ILE MG 1 53 TYR QB 2.932 2.132 6.312 5.677 4.529 6.329 0.017 21 0 "[ . 1 . 2 .]" 1
785 1 52 SER HA 1 53 TYR QD 3.621 2.615 7.107 5.176 3.389 6.223 . 0 0 "[ . 1 . 2 .]" 1
786 1 52 SER QB 1 54 GLU HG2 3.056 2.219 5.973 4.577 2.213 6.317 0.344 24 0 "[ . 1 . 2 .]" 1
787 1 54 GLU HB3 1 54 GLU HG3 2.495 . 5.244 2.963 2.407 3.013 . 0 0 "[ . 1 . 2 .]" 1
788 1 54 GLU HA 1 54 GLU HG2 2.536 . 4.297 3.248 2.564 3.747 . 0 0 "[ . 1 . 2 .]" 1
789 1 54 GLU HA 1 54 GLU HG3 2.397 . 4.116 3.529 2.891 4.220 0.104 19 0 "[ . 1 . 2 .]" 1
790 1 54 GLU HB2 1 54 GLU HG2 2.336 . 5.037 2.963 2.412 3.012 . 0 0 "[ . 1 . 2 .]" 1
791 1 54 GLU QB 1 56 LYS QG 2.606 . 5.388 4.478 3.272 5.172 . 0 0 "[ . 1 . 2 .]" 1
792 1 54 GLU HA 1 73 LYS QE 3.139 2.277 5.081 4.283 2.231 5.027 0.046 1 0 "[ . 1 . 2 .]" 1
793 1 54 GLU HA 1 73 LYS HD2 3.084 2.239 5.009 3.943 3.348 4.938 . 0 0 "[ . 1 . 2 .]" 1
794 1 54 GLU HA 1 73 LYS HD3 3.021 2.195 4.927 4.901 3.690 5.235 0.308 23 0 "[ . 1 . 2 .]" 1
795 1 23 LYS HD2 1 55 ASP HA 3.422 2.475 5.449 4.149 3.791 4.587 . 0 0 "[ . 1 . 2 .]" 1
796 1 55 ASP HA 1 55 ASP QB 2.278 . 3.898 2.292 2.180 2.460 . 0 0 "[ . 1 . 2 .]" 1
797 1 55 ASP HA 1 56 LYS QD 2.403 . 4.124 3.873 2.923 4.231 0.107 19 0 "[ . 1 . 2 .]" 1
798 1 55 ASP QB 1 56 LYS HB2 2.735 . 4.555 3.368 2.568 4.048 . 0 0 "[ . 1 . 2 .]" 1
799 1 55 ASP QB 1 56 LYS HB3 3.006 2.184 4.908 3.420 2.219 4.277 . 0 0 "[ . 1 . 2 .]" 1
800 1 24 LEU QB 1 55 ASP HA 2.682 . 4.486 2.895 2.237 3.692 . 0 0 "[ . 1 . 2 .]" 1
801 1 55 ASP HA 1 73 LYS QG 2.480 2.115 4.224 2.895 2.237 3.693 . 0 0 "[ . 1 . 2 .]" 1
802 1 24 LEU QB 1 55 ASP QB 3.025 2.198 5.932 4.481 4.059 4.882 . 0 0 "[ . 1 . 2 .]" 1
803 1 55 ASP QB 1 56 LYS QD 3.056 2.219 5.973 4.483 4.060 4.886 . 0 0 "[ . 1 . 2 .]" 1
804 1 56 LYS HB2 1 56 LYS QG 2.566 . 5.336 2.261 2.140 2.411 . 0 0 "[ . 1 . 2 .]" 1
805 1 56 LYS HB3 1 56 LYS QG 2.532 . 5.292 2.219 2.139 2.392 . 0 0 "[ . 1 . 2 .]" 1
806 1 56 LYS HA 1 56 LYS HB3 2.493 . 4.241 2.537 2.297 2.780 . 0 0 "[ . 1 . 2 .]" 1
807 1 56 LYS HA 1 56 LYS QG 2.655 . 3.997 2.723 2.229 3.244 . 0 0 "[ . 1 . 2 .]" 1
808 1 56 LYS HA 1 56 LYS QD 3.045 2.211 4.959 2.450 2.035 3.176 0.176 20 0 "[ . 1 . 2 .]" 1
809 1 57 ASN HA 1 57 ASN QB 2.547 . 4.115 2.208 2.158 2.417 . 0 0 "[ . 1 . 2 .]" 1
810 1 57 ASN HA 1 58 TRP HB3 3.237 2.346 5.208 5.204 5.067 5.291 0.083 19 0 "[ . 1 . 2 .]" 1
811 1 57 ASN QD 1 98 ILE HB 3.619 2.613 4.705 2.997 1.884 3.648 0.729 15 1 "[ . 1 + 2 .]" 1
812 1 20 VAL MG2 1 58 TRP HH2 3.178 2.304 5.132 4.278 3.623 5.145 0.013 23 0 "[ . 1 . 2 .]" 1
813 1 20 VAL MG2 1 58 TRP HZ2 4.459 3.201 6.000 4.890 3.837 6.108 0.108 23 0 "[ . 1 . 2 .]" 1
814 1 58 TRP HA 1 58 TRP HB2 2.420 . 4.146 2.827 2.806 2.865 . 0 0 "[ . 1 . 2 .]" 1
815 1 58 TRP HA 1 58 TRP HB3 2.630 . 4.419 2.835 2.793 2.870 . 0 0 "[ . 1 . 2 .]" 1
816 1 58 TRP HB3 1 58 TRP HD1 2.912 2.119 4.785 3.789 3.763 3.820 . 0 0 "[ . 1 . 2 .]" 1
817 1 58 TRP HB2 1 58 TRP HD1 3.043 2.210 4.956 2.647 2.608 2.709 . 0 0 "[ . 1 . 2 .]" 1
818 1 58 TRP HA 1 58 TRP HD1 3.713 2.679 4.827 3.506 3.385 3.658 . 0 0 "[ . 1 . 2 .]" 1
819 1 58 TRP HH2 1 96 LYS HA 2.440 . 3.172 2.792 2.359 3.200 0.028 22 0 "[ . 1 . 2 .]" 1
820 1 58 TRP HB2 1 97 GLN HA 3.119 2.263 5.055 4.689 4.409 4.845 . 0 0 "[ . 1 . 2 .]" 1
821 1 58 TRP HZ3 1 59 GLY HA2 3.255 2.358 4.955 4.931 4.683 5.244 0.289 15 0 "[ . 1 . 2 .]" 1
822 1 58 TRP HZ3 1 59 GLY HA3 3.683 2.658 4.788 5.210 4.940 5.361 0.573 7 10 "[ *. + *1 ** .* 2** -*]" 1
823 1 58 TRP HB3 1 59 GLY HA3 2.734 . 4.554 4.621 4.495 4.833 0.279 15 0 "[ . 1 . 2 .]" 1
824 1 58 TRP HB3 1 59 GLY HA2 2.604 . 4.385 3.732 3.550 4.078 . 0 0 "[ . 1 . 2 .]" 1
825 1 59 GLY HA2 1 69 THR HA 2.597 . 3.376 2.122 1.855 2.882 0.043 9 0 "[ . 1 . 2 .]" 1
826 1 59 GLY HA2 1 69 THR MG 2.968 2.158 5.358 3.207 2.713 4.180 . 0 0 "[ . 1 . 2 .]" 1
827 1 58 TRP HH2 1 60 ILE QG 3.009 2.186 4.912 2.949 2.606 3.551 . 0 0 "[ . 1 . 2 .]" 1
828 1 60 ILE HA 1 60 ILE MG 2.516 . 4.771 2.456 2.345 2.616 . 0 0 "[ . 1 . 2 .]" 1
829 1 60 ILE HA 1 60 ILE QG 2.590 2.006 4.367 2.349 2.256 2.437 . 0 0 "[ . 1 . 2 .]" 1
830 1 60 ILE QG 1 60 ILE MG 2.436 . 5.279 2.154 2.054 2.379 . 0 0 "[ . 1 . 2 .]" 1
831 1 60 ILE HA 1 60 ILE MD 2.860 2.082 5.218 3.226 2.757 3.819 . 0 0 "[ . 1 . 2 .]" 1
832 1 60 ILE QG 1 67 VAL MG1 2.817 2.052 5.662 4.602 3.386 5.408 . 0 0 "[ . 1 . 2 .]" 1
833 1 60 ILE QG 1 67 VAL MG2 2.349 . 5.054 4.435 3.245 5.413 0.359 15 0 "[ . 1 . 2 .]" 1
834 1 60 ILE QG 1 68 TYR HB3 2.779 2.025 5.613 3.275 2.448 3.737 . 0 0 "[ . 1 . 2 .]" 1
835 1 60 ILE QG 1 68 TYR HB2 2.693 . 5.501 4.650 3.961 5.217 . 0 0 "[ . 1 . 2 .]" 1
836 1 60 ILE MD 1 68 TYR HA 2.820 2.054 5.166 4.631 4.215 5.140 . 0 0 "[ . 1 . 2 .]" 1
837 1 60 ILE QG 1 94 GLU HB2 3.263 2.364 6.242 5.921 5.604 6.082 . 0 0 "[ . 1 . 2 .]" 1
838 1 60 ILE QG 1 94 GLU HB3 3.519 2.543 6.575 6.373 6.261 6.431 . 0 0 "[ . 1 . 2 .]" 1
839 1 60 ILE HA 1 95 ILE MD 2.957 2.150 5.344 4.449 2.680 5.147 . 0 0 "[ . 1 . 2 .]" 1
840 1 60 ILE HA 1 95 ILE HA 2.456 . 3.193 2.557 2.164 3.211 0.018 2 0 "[ . 1 . 2 .]" 1
841 1 60 ILE HA 1 95 ILE QG 2.848 2.074 4.702 3.632 3.039 4.581 . 0 0 "[ . 1 . 2 .]" 1
842 1 60 ILE MD 1 95 ILE QG 2.748 2.004 6.072 3.261 2.097 5.203 . 0 0 "[ . 1 . 2 .]" 1
843 1 61 PHE HA 1 61 PHE HB3 2.526 . 4.284 2.389 2.314 2.498 . 0 0 "[ . 1 . 2 .]" 1
844 1 61 PHE HA 1 61 PHE HB2 2.677 . 4.480 3.017 2.989 3.030 . 0 0 "[ . 1 . 2 .]" 1
845 1 61 PHE HA 1 62 VAL QG 3.551 2.566 5.616 3.692 3.464 3.907 . 0 0 "[ . 1 . 2 .]" 1
846 1 61 PHE HA 1 66 LYS HA 2.318 . 3.013 2.515 1.932 3.110 0.097 18 0 "[ . 1 . 2 .]" 1
847 1 61 PHE QD 1 66 LYS HA 3.099 2.249 5.429 2.939 2.187 4.381 0.062 15 0 "[ . 1 . 2 .]" 1
848 1 61 PHE QE 1 66 LYS QD 3.263 2.364 5.096 2.570 2.202 3.036 0.162 1 0 "[ . 1 . 2 .]" 1
849 1 61 PHE QE 1 66 LYS HE3 3.326 2.408 4.906 4.108 2.345 5.421 0.515 3 1 "[ + . 1 . 2 .]" 1
850 1 61 PHE QE 1 66 LYS HE2 3.283 2.378 7.668 4.386 2.897 5.188 . 0 0 "[ . 1 . 2 .]" 1
851 1 61 PHE HA 1 67 VAL MG1 2.839 2.067 4.691 3.702 1.986 5.574 0.883 21 3 "[ . 1 . *-2+ .]" 1
852 1 61 PHE HB2 1 94 GLU HB3 2.899 2.109 4.769 3.485 3.104 4.242 . 0 0 "[ . 1 . 2 .]" 1
853 1 61 PHE QD 1 94 GLU HG3 3.814 2.750 8.358 3.641 2.681 4.863 0.069 14 0 "[ . 1 . 2 .]" 1
854 1 61 PHE QD 1 94 GLU HG2 3.798 2.739 8.337 3.791 2.692 5.210 0.047 24 0 "[ . 1 . 2 .]" 1
855 1 61 PHE HB2 1 94 GLU HB2 2.872 2.090 5.734 2.065 1.983 2.522 0.107 10 0 "[ . 1 . 2 .]" 1
856 1 61 PHE HB3 1 94 GLU HB3 3.092 2.244 6.020 5.183 4.776 5.960 . 0 0 "[ . 1 . 2 .]" 1
857 1 61 PHE HB3 1 94 GLU HB2 2.889 2.102 4.756 3.749 3.508 4.268 . 0 0 "[ . 1 . 2 .]" 1
858 1 61 PHE QD 1 96 LYS QG 3.299 2.389 7.689 3.423 2.464 4.871 . 0 0 "[ . 1 . 2 .]" 1
859 1 61 PHE QE 1 96 LYS HE2 3.338 2.417 5.339 4.358 2.355 5.321 0.062 1 0 "[ . 1 . 2 .]" 1
860 1 61 PHE QE 1 96 LYS HE3 3.276 2.373 7.659 4.361 2.352 5.266 0.021 25 0 "[ . 1 . 2 .]" 1
861 1 62 VAL HB 1 62 VAL QG 2.002 . 3.103 1.894 1.889 1.899 . 0 0 "[ . 1 . 2 .]" 1
862 1 62 VAL HA 1 62 VAL QG 2.293 . 3.481 2.270 2.132 2.400 . 0 0 "[ . 1 . 2 .]" 1
863 1 62 VAL HA 1 62 VAL HB 2.915 2.121 3.789 2.602 2.369 3.031 . 0 0 "[ . 1 . 2 .]" 1
864 1 62 VAL QG 1 63 ASN HB2 3.089 2.242 6.016 2.953 2.663 3.337 . 0 0 "[ . 1 . 2 .]" 1
865 1 62 VAL QG 1 65 GLU HG2 3.318 2.403 5.960 4.028 2.304 5.297 0.099 23 0 "[ . 1 . 2 .]" 1
866 1 60 ILE MG 1 62 VAL QG 3.230 2.341 6.199 2.156 1.692 2.795 0.649 2 6 "[ + . 1* * . * 2 *-]" 1
867 1 62 VAL QG 1 90 GLY QA 3.008 2.185 4.911 2.382 1.848 3.464 0.337 19 0 "[ . 1 . 2 .]" 1
868 1 62 VAL QG 1 93 ILE HA 2.884 2.099 4.749 3.154 2.420 4.025 . 0 0 "[ . 1 . 2 .]" 1
869 1 63 ASN HA 1 63 ASN HB2 2.281 . 3.965 3.024 3.012 3.029 . 0 0 "[ . 1 . 2 .]" 1
870 1 63 ASN HB2 1 65 GLU HG2 3.846 2.772 7.000 5.435 3.282 6.775 . 0 0 "[ . 1 . 2 .]" 1
871 1 63 ASN HB2 1 65 GLU HG3 4.104 2.953 7.000 5.992 3.818 6.825 . 0 0 "[ . 1 . 2 .]" 1
872 1 65 GLU HB2 1 65 GLU HG3 2.546 . 5.310 2.585 2.323 3.013 . 0 0 "[ . 1 . 2 .]" 1
873 1 65 GLU HB2 1 65 GLU HG2 2.473 . 5.215 2.809 2.400 3.013 . 0 0 "[ . 1 . 2 .]" 1
874 1 65 GLU HA 1 65 GLU HG2 2.570 . 4.341 3.350 2.375 3.797 . 0 0 "[ . 1 . 2 .]" 1
875 1 65 GLU HA 1 65 GLU HB2 2.392 . 4.110 2.528 2.349 2.999 . 0 0 "[ . 1 . 2 .]" 1
876 1 65 GLU HA 1 65 GLU HB3 2.451 . 4.186 2.858 2.521 3.032 . 0 0 "[ . 1 . 2 .]" 1
877 1 65 GLU HB3 1 65 GLU HG2 2.399 . 5.119 2.483 2.313 3.012 . 0 0 "[ . 1 . 2 .]" 1
878 1 65 GLU HA 1 65 GLU HG3 2.862 2.083 4.721 3.019 2.270 3.785 . 0 0 "[ . 1 . 2 .]" 1
879 1 93 ILE QG 1 94 GLU HG2 3.127 2.269 6.065 6.144 5.454 6.899 0.834 23 11 "[ * ** * *. *-**+ *]" 1
880 1 65 GLU HG2 1 66 LYS HB2 3.386 2.450 6.402 5.895 3.994 7.069 0.667 4 2 "[ -+. 1 . 2 .]" 1
881 1 65 GLU HG3 1 66 LYS HB2 3.415 2.471 6.439 5.385 4.095 6.581 0.142 18 0 "[ . 1 . 2 .]" 1
882 1 65 GLU HA 1 66 LYS HB2 2.871 2.090 4.732 4.466 3.959 4.675 . 0 0 "[ . 1 . 2 .]" 1
883 1 66 LYS HA 1 66 LYS HG2 2.517 . 4.272 2.973 2.335 3.749 . 0 0 "[ . 1 . 2 .]" 1
884 1 66 LYS HA 1 66 LYS HB2 2.522 . 4.279 2.750 2.435 3.023 . 0 0 "[ . 1 . 2 .]" 1
885 1 66 LYS HA 1 66 LYS HB3 2.630 . 4.419 2.780 2.473 3.025 . 0 0 "[ . 1 . 2 .]" 1
886 1 66 LYS HB3 1 66 LYS HG3 2.533 . 5.293 2.877 2.445 3.014 . 0 0 "[ . 1 . 2 .]" 1
887 1 66 LYS HB3 1 66 LYS HG2 2.685 . 5.491 2.499 2.340 3.012 . 0 0 "[ . 1 . 2 .]" 1
888 1 66 LYS HB2 1 66 LYS HG2 2.561 . 5.329 2.875 2.460 3.012 . 0 0 "[ . 1 . 2 .]" 1
889 1 66 LYS QD 1 66 LYS HG2 2.381 . 5.095 2.316 2.169 2.453 . 0 0 "[ . 1 . 2 .]" 1
890 1 66 LYS QD 1 66 LYS HG3 2.455 . 5.192 2.274 2.162 2.429 . 0 0 "[ . 1 . 2 .]" 1
891 1 66 LYS HB2 1 66 LYS HG3 2.591 . 5.368 2.515 2.208 3.011 . 0 0 "[ . 1 . 2 .]" 1
892 1 66 LYS HA 1 66 LYS HG3 2.622 . 4.409 2.897 2.435 3.768 . 0 0 "[ . 1 . 2 .]" 1
893 1 66 LYS QD 1 66 LYS HE3 2.866 2.086 5.264 2.280 2.167 2.389 . 0 0 "[ . 1 . 2 .]" 1
894 1 66 LYS HE3 1 66 LYS HG2 3.101 2.251 6.031 3.289 2.463 4.243 . 0 0 "[ . 1 . 2 .]" 1
895 1 66 LYS HE3 1 66 LYS HG3 2.799 2.039 5.639 3.553 2.522 4.215 . 0 0 "[ . 1 . 2 .]" 1
896 1 66 LYS HB2 1 66 LYS HE3 2.859 2.081 5.717 3.926 2.033 5.485 0.048 10 0 "[ . 1 . 2 .]" 1
897 1 66 LYS HB3 1 66 LYS HE3 2.491 . 5.238 3.606 2.037 5.488 0.250 17 0 "[ . 1 . 2 .]" 1
898 1 66 LYS HE3 1 69 THR MG 2.987 2.171 5.883 4.465 2.939 5.950 0.067 21 0 "[ . 1 . 2 .]" 1
899 1 66 LYS HE2 1 69 THR MG 2.987 2.171 5.883 4.528 3.069 5.945 0.062 10 0 "[ . 1 . 2 .]" 1
900 1 62 VAL HB 1 67 VAL MG1 2.857 2.080 4.714 3.592 2.207 5.027 0.313 19 0 "[ . 1 . 2 .]" 1
901 1 67 VAL HA 1 67 VAL HB 2.060 . 2.678 2.532 2.289 2.986 0.308 8 0 "[ . 1 . 2 .]" 1
902 1 67 VAL HA 1 67 VAL MG1 2.540 . 4.302 2.686 2.303 3.195 . 0 0 "[ . 1 . 2 .]" 1
903 1 67 VAL HA 1 67 VAL MG2 2.030 . 3.139 2.746 2.324 3.211 0.072 10 0 "[ . 1 . 2 .]" 1
904 1 67 VAL HB 1 67 VAL MG2 2.037 . 3.148 2.124 2.117 2.131 . 0 0 "[ . 1 . 2 .]" 1
905 1 67 VAL HB 1 67 VAL MG1 2.278 . 3.962 2.122 2.117 2.127 . 0 0 "[ . 1 . 2 .]" 1
906 1 60 ILE MD 1 68 TYR HB3 2.493 . 5.741 2.196 1.917 2.742 . 0 0 "[ . 1 . 2 .]" 1
907 1 60 ILE MD 1 68 TYR HB2 2.587 . 5.863 3.679 2.993 4.493 . 0 0 "[ . 1 . 2 .]" 1
908 1 60 ILE MD 1 68 TYR HB3 2.825 2.057 6.173 2.225 1.928 2.928 0.129 20 0 "[ . 1 . 2 .]" 1
909 1 67 VAL MG1 1 68 TYR HB3 2.979 2.165 5.873 4.108 2.983 5.591 . 0 0 "[ . 1 . 2 .]" 1
910 1 67 VAL MG1 1 68 TYR QD 3.907 2.815 8.400 5.134 3.723 6.355 . 0 0 "[ . 1 . 2 .]" 1
911 1 60 ILE MD 1 68 TYR HB2 2.634 . 5.424 2.686 2.223 3.407 . 0 0 "[ . 1 . 2 .]" 1
912 1 68 TYR HA 1 68 TYR HB2 2.609 . 4.392 2.513 2.415 2.611 . 0 0 "[ . 1 . 2 .]" 1
913 1 68 TYR HA 1 68 TYR HB3 2.314 . 4.008 3.026 3.011 3.032 . 0 0 "[ . 1 . 2 .]" 1
914 1 68 TYR HA 1 68 TYR QD 2.326 . 5.424 2.699 2.415 3.020 . 0 0 "[ . 1 . 2 .]" 1
915 1 69 THR HA 1 69 THR HB 2.441 . 3.173 2.955 2.481 3.041 . 0 0 "[ . 1 . 2 .]" 1
916 1 69 THR HA 1 69 THR MG 2.256 . 4.433 2.547 2.257 3.222 . 0 0 "[ . 1 . 2 .]" 1
917 1 69 THR HB 1 69 THR MG 2.153 . 4.299 2.131 2.123 2.137 . 0 0 "[ . 1 . 2 .]" 1
918 1 31 LEU QD 1 70 PHE HZ 3.174 2.302 6.526 2.750 2.119 3.601 0.183 2 0 "[ . 1 . 2 .]" 1
919 1 33 LEU MD2 1 70 PHE HZ 3.582 2.588 7.056 5.761 4.341 7.389 0.333 1 0 "[ . 1 . 2 .]" 1
920 1 33 LEU MD2 1 70 PHE QE 3.578 2.585 9.451 5.921 4.790 7.078 . 0 0 "[ . 1 . 2 .]" 1
921 1 60 ILE MD 1 70 PHE HB2 3.276 2.373 6.759 6.059 5.120 6.858 0.099 22 0 "[ . 1 . 2 .]" 1
922 1 60 ILE MD 1 70 PHE QE 2.493 . 7.141 2.280 1.801 3.385 0.024 24 0 "[ . 1 . 2 .]" 1
923 1 69 THR HA 1 70 PHE QD 3.145 2.282 6.488 3.482 3.138 4.010 . 0 0 "[ . 1 . 2 .]" 1
924 1 59 GLY HA2 1 69 THR HB 4.334 3.114 6.000 4.391 3.537 4.756 . 0 0 "[ . 1 . 2 .]" 1
925 1 70 PHE HB2 1 79 ILE HG13 3.215 2.331 6.179 3.883 2.939 5.273 . 0 0 "[ . 1 . 2 .]" 1
926 1 70 PHE HB3 1 79 ILE HG13 3.529 2.550 6.588 4.943 4.010 6.282 . 0 0 "[ . 1 . 2 .]" 1
927 1 70 PHE HB2 1 79 ILE HG12 3.201 2.321 6.161 4.597 2.713 5.396 . 0 0 "[ . 1 . 2 .]" 1
928 1 70 PHE HB3 1 79 ILE HG12 3.245 2.351 6.219 5.510 3.559 6.278 0.059 17 0 "[ . 1 . 2 .]" 1
929 1 70 PHE HB3 1 79 ILE MD 2.803 2.042 6.144 3.243 2.418 4.441 . 0 0 "[ . 1 . 2 .]" 1
930 1 70 PHE HB2 1 79 ILE MD 2.438 . 5.669 2.622 2.020 3.361 . 0 0 "[ . 1 . 2 .]" 1
931 1 70 PHE HZ 1 95 ILE MD 3.328 2.410 5.826 5.113 4.085 5.864 0.038 19 0 "[ . 1 . 2 .]" 1
932 1 69 THR MG 1 71 ASN QB 3.127 2.269 6.565 5.770 5.297 6.328 . 0 0 "[ . 1 . 2 .]" 1
933 1 71 ASN HA 1 71 ASN QB 2.559 . 4.101 2.382 2.198 2.437 . 0 0 "[ . 1 . 2 .]" 1
934 1 71 ASN QB 1 74 SER HA 3.646 2.632 5.740 4.981 4.518 5.576 . 0 0 "[ . 1 . 2 .]" 1
935 1 51 ILE HB 1 72 GLU QB 2.615 . 4.400 3.710 2.043 4.624 0.224 13 0 "[ . 1 . 2 .]" 1
936 1 51 ILE MG 1 72 GLU QB 2.454 . 5.690 3.315 2.071 4.139 . 0 0 "[ . 1 . 2 .]" 1
937 1 55 ASP QB 1 56 LYS HA 3.124 2.267 5.061 4.315 3.964 4.531 . 0 0 "[ . 1 . 2 .]" 1
938 1 55 ASP QB 1 56 LYS HB3 2.763 2.014 5.592 3.985 3.121 5.105 . 0 0 "[ . 1 . 2 .]" 1
939 1 56 LYS HB3 1 72 GLU QB 3.036 2.205 4.947 3.442 2.219 4.374 . 0 0 "[ . 1 . 2 .]" 1
940 1 56 LYS HB2 1 72 GLU QB 3.132 2.272 6.072 2.189 1.845 2.882 0.427 3 0 "[ . 1 . 2 .]" 1
941 1 55 ASP QB 1 56 LYS HB2 2.999 2.179 4.899 2.187 1.845 2.873 0.334 3 0 "[ . 1 . 2 .]" 1
942 1 56 LYS QG 1 72 GLU QG 2.877 2.094 4.293 3.796 3.011 4.127 . 0 0 "[ . 1 . 2 .]" 1
943 1 58 TRP HD1 1 72 GLU QG 2.925 2.127 4.531 2.356 1.915 4.168 0.212 7 0 "[ . 1 . 2 .]" 1
944 1 72 GLU HA 1 72 GLU QG 2.812 2.048 4.137 2.326 2.154 2.974 . 0 0 "[ . 1 . 2 .]" 1
945 1 72 GLU QB 1 72 GLU QG 2.152 . 4.798 2.057 1.973 2.086 . 0 0 "[ . 1 . 2 .]" 1
946 1 72 GLU HA 1 72 GLU QB 2.385 . 4.101 2.460 2.337 2.533 . 0 0 "[ . 1 . 2 .]" 1
947 1 28 LYS HB3 1 51 ILE HA 2.556 . 4.323 3.522 2.374 4.654 0.331 22 0 "[ . 1 . 2 .]" 1
948 1 28 LYS QD 1 52 SER HA 2.747 2.003 4.571 3.075 2.061 4.103 . 0 0 "[ . 1 . 2 .]" 1
949 1 71 ASN QB 1 73 LYS QG 3.343 2.498 6.346 2.698 2.259 3.593 0.239 11 0 "[ . 1 . 2 .]" 1
950 1 72 GLU HA 1 73 LYS QG 3.297 2.388 5.286 5.107 4.704 5.243 . 0 0 "[ . 1 . 2 .]" 1
951 1 73 LYS HB2 1 73 LYS QG 2.564 . 4.408 2.293 2.136 2.446 . 0 0 "[ . 1 . 2 .]" 1
952 1 73 LYS HA 1 73 LYS QG 2.281 . 3.965 3.322 3.254 3.354 . 0 0 "[ . 1 . 2 .]" 1
953 1 73 LYS HB2 1 73 LYS QE 2.726 . 5.544 2.774 1.917 4.236 0.071 11 0 "[ . 1 . 2 .]" 1
954 1 73 LYS HA 1 73 LYS HB2 2.365 . 4.074 2.456 2.401 2.756 . 0 0 "[ . 1 . 2 .]" 1
955 1 73 LYS QE 1 73 LYS QG 3.026 2.198 5.662 2.446 2.069 2.719 0.129 12 0 "[ . 1 . 2 .]" 1
956 1 73 LYS HB2 1 74 SER HA 3.560 2.572 5.628 4.750 3.918 4.898 . 0 0 "[ . 1 . 2 .]" 1
957 1 73 LYS QG 1 74 SER QB 2.966 2.156 5.545 2.704 2.251 3.505 . 0 0 "[ . 1 . 2 .]" 1
958 1 51 ILE MD 1 74 SER HA 3.366 2.436 5.876 5.288 4.750 5.901 0.025 4 0 "[ . 1 . 2 .]" 1
959 1 71 ASN QB 1 74 SER QB 3.973 3.580 6.000 3.909 2.950 5.183 0.630 21 1 "[ . 1 . 2+ .]" 1
960 1 74 SER HA 1 74 SER QB 2.281 . 3.861 2.330 2.183 2.410 . 0 0 "[ . 1 . 2 .]" 1
961 1 74 SER QB 1 75 THR MG 3.579 3.037 7.153 4.278 3.860 4.912 . 0 0 "[ . 1 . 2 .]" 1
962 1 28 LYS QG 1 48 GLY HA2 2.964 2.155 5.353 4.638 2.363 5.321 . 0 0 "[ . 1 . 2 .]" 1
963 1 28 LYS QG 1 48 GLY HA3 2.828 2.060 5.176 4.251 3.024 4.889 . 0 0 "[ . 1 . 2 .]" 1
964 1 48 GLY HA3 1 75 THR HB 3.511 2.538 4.564 3.945 3.052 4.384 . 0 0 "[ . 1 . 2 .]" 1
965 1 48 GLY HA2 1 75 THR HB 3.627 2.619 4.715 4.317 3.124 5.145 0.430 18 0 "[ . 1 . 2 .]" 1
966 1 48 GLY HA2 1 75 THR MG 3.496 2.527 6.045 4.696 2.363 5.470 0.164 24 0 "[ . 1 . 2 .]" 1
967 1 48 GLY HA3 1 75 THR MG 3.260 2.362 5.738 3.748 2.953 4.149 . 0 0 "[ . 1 . 2 .]" 1
968 1 49 TYR HA 1 75 THR MG 2.527 . 4.785 3.235 2.093 4.810 0.025 25 0 "[ . 1 . 2 .]" 1
969 1 50 GLY HA3 1 75 THR HA 2.157 . 3.804 3.745 2.848 3.966 0.162 24 0 "[ . 1 . 2 .]" 1
970 1 74 SER HA 1 75 THR MG 3.023 2.196 5.430 3.951 3.671 4.406 . 0 0 "[ . 1 . 2 .]" 1
971 1 75 THR HA 1 75 THR HB 2.069 . 2.690 2.568 2.481 2.721 0.031 4 0 "[ . 1 . 2 .]" 1
972 1 75 THR HB 1 75 THR MG 2.003 . 4.104 2.133 2.128 2.135 . 0 0 "[ . 1 . 2 .]" 1
973 1 75 THR HA 1 75 THR MG 2.096 . 4.225 2.275 2.186 2.350 . 0 0 "[ . 1 . 2 .]" 1
974 1 50 GLY HA2 1 75 THR HA 2.697 . 3.506 3.404 2.118 3.949 0.443 23 0 "[ . 1 . 2 .]" 1
975 1 29 GLY QA 1 76 VAL MG2 2.314 . 4.314 2.253 1.914 2.748 . 0 0 "[ . 1 . 2 .]" 1
976 1 29 GLY QA 1 76 VAL MG1 2.278 . 4.067 3.773 3.414 3.990 . 0 0 "[ . 1 . 2 .]" 1
977 1 44 SER HB3 1 76 VAL HB 2.835 2.064 4.686 2.988 1.919 3.958 0.145 4 0 "[ . 1 . 2 .]" 1
978 1 44 SER HB2 1 76 VAL MG1 2.498 . 5.247 3.085 2.030 5.103 . 0 0 "[ . 1 . 2 .]" 1
979 1 31 LEU QB 1 44 SER HB3 3.191 2.314 6.148 4.013 2.951 5.060 . 0 0 "[ . 1 . 2 .]" 1
980 1 44 SER HB2 1 76 VAL MG2 3.342 2.419 6.345 4.070 3.367 5.111 . 0 0 "[ . 1 . 2 .]" 1
981 1 44 SER HA 1 76 VAL MG1 2.511 . 4.264 3.646 3.013 5.026 0.762 19 1 "[ . 1 . +2 .]" 1
982 1 31 LEU QB 1 44 SER HA 3.018 2.193 4.923 4.237 3.681 4.452 . 0 0 "[ . 1 . 2 .]" 1
983 1 44 SER HB2 1 76 VAL HB 2.646 . 4.440 2.589 1.960 3.719 . 0 0 "[ . 1 . 2 .]" 1
984 1 44 SER QB 1 76 VAL MG2 2.510 . 5.263 3.662 2.924 4.478 . 0 0 "[ . 1 . 2 .]" 1
985 1 72 GLU HA 1 76 VAL MG1 2.934 2.134 4.814 4.722 4.241 4.901 0.087 21 0 "[ . 1 . 2 .]" 1
986 1 72 GLU HA 1 76 VAL MG2 2.516 . 4.271 4.059 3.371 4.821 0.550 19 1 "[ . 1 . +2 .]" 1
987 1 72 GLU QG 1 76 VAL MG1 2.804 2.136 5.645 4.508 4.132 5.017 . 0 0 "[ . 1 . 2 .]" 1
988 1 72 GLU QG 1 76 VAL MG2 2.922 2.212 5.799 4.142 3.049 5.034 . 0 0 "[ . 1 . 2 .]" 1
989 1 56 LYS QG 1 72 GLU QB 2.852 2.076 5.708 3.006 1.831 3.841 0.245 8 0 "[ . 1 . 2 .]" 1
990 1 75 THR HA 1 76 VAL MG2 2.911 2.118 4.784 3.342 3.179 3.543 . 0 0 "[ . 1 . 2 .]" 1
991 1 76 VAL HB 1 76 VAL MG2 1.974 . 3.066 2.128 2.112 2.134 . 0 0 "[ . 1 . 2 .]" 1
992 1 76 VAL HA 1 76 VAL HB 2.351 . 3.056 3.001 2.842 3.038 . 0 0 "[ . 1 . 2 .]" 1
993 1 76 VAL HA 1 76 VAL MG2 2.040 . 3.152 2.571 2.398 2.971 . 0 0 "[ . 1 . 2 .]" 1
994 1 76 VAL HB 1 76 VAL MG1 1.929 . 3.508 2.118 2.109 2.128 . 0 0 "[ . 1 . 2 .]" 1
995 1 76 VAL HA 1 76 VAL MG1 1.804 . 3.345 2.278 2.138 2.406 . 0 0 "[ . 1 . 2 .]" 1
996 1 76 VAL MG1 1 77 GLY HA3 3.532 2.553 5.591 5.144 4.725 5.788 0.197 19 0 "[ . 1 . 2 .]" 1
997 1 76 VAL MG1 1 77 GLY HA2 1.983 . 4.578 4.138 3.664 5.001 0.423 19 0 "[ . 1 . 2 .]" 1
998 1 76 VAL MG1 1 79 ILE HG13 3.268 2.368 6.248 4.399 3.961 4.845 . 0 0 "[ . 1 . 2 .]" 1
999 1 76 VAL HA 1 79 ILE HB 2.519 . 3.275 2.301 1.937 2.711 . 0 0 "[ . 1 . 2 .]" 1
1000 1 31 LEU HG 1 80 SER QB 2.530 . 4.223 2.737 1.816 3.297 0.035 18 0 "[ . 1 . 2 .]" 1
1001 1 74 SER QB 1 78 ASN HB2 3.133 2.413 5.073 4.585 4.175 4.756 . 0 0 "[ . 1 . 2 .]" 1
1002 1 75 THR HB 1 78 ASN HB2 3.285 2.379 5.271 3.846 3.051 4.412 . 0 0 "[ . 1 . 2 .]" 1
1003 1 78 ASN HA 1 78 ASN HB2 2.279 . 3.963 3.019 2.997 3.033 . 0 0 "[ . 1 . 2 .]" 1
1004 1 68 TYR QE 1 79 ILE MG 2.279 . 6.863 2.240 2.022 2.950 . 0 0 "[ . 1 . 2 .]" 1
1005 1 70 PHE HA 1 79 ILE MD 3.084 2.239 5.509 4.484 3.718 5.292 . 0 0 "[ . 1 . 2 .]" 1
1006 1 70 PHE HA 1 79 ILE MG 3.206 2.324 5.668 4.948 4.378 5.466 . 0 0 "[ . 1 . 2 .]" 1
1007 1 70 PHE HB2 1 79 ILE MG 2.674 . 5.976 3.142 2.634 3.707 . 0 0 "[ . 1 . 2 .]" 1
1008 1 70 PHE HB3 1 79 ILE MG 2.766 2.016 6.096 3.072 2.455 3.548 . 0 0 "[ . 1 . 2 .]" 1
1009 1 51 ILE MD 1 74 SER QB 2.823 2.056 5.670 3.015 2.583 3.717 . 0 0 "[ . 1 . 2 .]" 1
1010 1 51 ILE MD 1 74 SER QB 3.104 2.253 6.035 2.984 2.572 3.647 . 0 0 "[ . 1 . 2 .]" 1
1011 1 74 SER QB 1 79 ILE MD 2.257 . 5.434 2.270 1.814 2.818 0.039 9 0 "[ . 1 . 2 .]" 1
1012 1 74 SER QB 1 79 ILE HG13 2.902 2.282 5.773 2.749 2.257 3.693 0.025 11 0 "[ . 1 . 2 .]" 1
1013 1 74 SER QB 1 79 ILE HG12 3.256 2.417 6.233 3.023 2.585 3.735 . 0 0 "[ . 1 . 2 .]" 1
1014 1 74 SER QB 1 79 ILE MG 3.421 2.475 6.947 4.365 3.872 4.991 . 0 0 "[ . 1 . 2 .]" 1
1015 1 74 SER HA 1 79 ILE MD 2.987 2.171 5.383 4.713 4.210 5.393 0.010 25 0 "[ . 1 . 2 .]" 1
1016 1 75 THR HA 1 79 ILE MD 4.018 2.893 6.500 5.410 4.118 5.902 . 0 0 "[ . 1 . 2 .]" 1
1017 1 75 THR HA 1 79 ILE HG13 3.650 2.635 5.745 5.376 4.682 5.772 0.027 3 0 "[ . 1 . 2 .]" 1
1018 1 76 VAL HA 1 79 ILE HG13 3.227 2.339 5.195 3.139 2.715 3.445 . 0 0 "[ . 1 . 2 .]" 1
1019 1 76 VAL HA 1 79 ILE HG12 3.499 2.529 5.549 3.319 2.930 4.457 . 0 0 "[ . 1 . 2 .]" 1
1020 1 76 VAL HA 1 79 ILE MG 2.981 2.167 4.875 3.658 3.283 4.129 . 0 0 "[ . 1 . 2 .]" 1
1021 1 76 VAL HA 1 79 ILE MD 2.209 . 4.372 3.942 1.887 4.543 0.171 10 0 "[ . 1 . 2 .]" 1
1022 1 79 ILE HA 1 79 ILE HG13 2.577 . 4.350 3.587 2.956 3.809 . 0 0 "[ . 1 . 2 .]" 1
1023 1 79 ILE HA 1 79 ILE HB 2.701 . 3.511 3.018 3.012 3.024 . 0 0 "[ . 1 . 2 .]" 1
1024 1 79 ILE HA 1 79 ILE MD 2.760 2.012 5.088 2.407 1.996 3.866 0.016 7 0 "[ . 1 . 2 .]" 1
1025 1 79 ILE HA 1 79 ILE MG 2.256 . 4.433 2.393 2.266 2.508 . 0 0 "[ . 1 . 2 .]" 1
1026 1 79 ILE HB 1 79 ILE HG12 2.755 2.009 4.581 2.565 2.419 3.031 . 0 0 "[ . 1 . 2 .]" 1
1027 1 79 ILE HB 1 79 ILE MD 2.170 . 4.321 3.076 2.388 3.241 . 0 0 "[ . 1 . 2 .]" 1
1028 1 79 ILE MD 1 79 ILE HG13 1.945 . 5.028 2.118 2.115 2.122 . 0 0 "[ . 1 . 2 .]" 1
1029 1 79 ILE HG13 1 79 ILE MG 2.404 . 5.625 2.521 2.316 3.208 . 0 0 "[ . 1 . 2 .]" 1
1030 1 79 ILE HB 1 79 ILE HG13 2.585 . 4.361 2.468 2.445 2.500 . 0 0 "[ . 1 . 2 .]" 1
1031 1 79 ILE HA 1 79 ILE HG12 2.421 . 4.147 2.991 2.481 3.232 . 0 0 "[ . 1 . 2 .]" 1
1032 1 79 ILE MD 1 79 ILE HG12 2.219 . 5.385 2.116 2.112 2.119 . 0 0 "[ . 1 . 2 .]" 1
1033 1 79 ILE MD 1 79 ILE MG 1.949 . 5.534 1.966 1.839 2.044 . 0 0 "[ . 1 . 2 .]" 1
1034 1 79 ILE HG12 1 79 ILE MG 2.201 . 5.361 3.036 2.352 3.208 . 0 0 "[ . 1 . 2 .]" 1
1035 1 79 ILE HB 1 79 ILE MG 2.042 . 4.155 2.122 2.115 2.126 . 0 0 "[ . 1 . 2 .]" 1
1036 1 79 ILE HB 1 80 SER QB 3.551 2.566 5.588 4.161 3.792 4.526 . 0 0 "[ . 1 . 2 .]" 1
1037 1 79 ILE MG 1 80 SER QB 2.763 2.014 6.092 4.081 3.418 4.568 . 0 0 "[ . 1 . 2 .]" 1
1038 1 79 ILE HA 1 82 ASP HB2 2.589 . 4.366 3.277 2.672 3.555 . 0 0 "[ . 1 . 2 .]" 1
1039 1 42 ALA MB 1 80 SER QB 1.899 . 4.969 2.192 1.758 2.824 0.042 18 0 "[ . 1 . 2 .]" 1
1040 1 32 SER QB 1 43 THR HB 4.356 3.129 6.000 3.925 2.305 4.145 0.824 22 1 "[ . 1 . 2 + .]" 1
1041 1 80 SER QB 1 83 ILE HB 2.590 . 4.367 4.153 3.832 4.247 . 0 0 "[ . 1 . 2 .]" 1
1042 1 81 ASN HA 1 81 ASN QB 2.010 . 3.613 2.463 2.387 2.523 . 0 0 "[ . 1 . 2 .]" 1
1043 1 79 ILE HA 1 82 ASP HB3 3.114 2.260 5.048 4.755 4.105 5.090 0.042 4 0 "[ . 1 . 2 .]" 1
1044 1 82 ASP HA 1 82 ASP HB3 2.423 . 4.150 2.657 2.574 2.823 . 0 0 "[ . 1 . 2 .]" 1
1045 1 82 ASP HA 1 82 ASP HB2 2.571 . 4.342 2.975 2.872 3.005 . 0 0 "[ . 1 . 2 .]" 1
1046 1 82 ASP HA 1 85 LYS HB3 2.492 . 4.240 4.326 3.286 4.822 0.582 19 2 "[ . 1 . +2- .]" 1
1047 1 82 ASP HA 1 85 LYS HD2 2.859 2.081 4.717 3.857 2.144 4.920 0.203 7 0 "[ . 1 . 2 .]" 1
1048 1 82 ASP HA 1 86 LEU HG 3.665 2.645 4.765 4.661 4.485 4.793 0.028 25 0 "[ . 1 . 2 .]" 1
1049 1 82 ASP HB3 1 86 LEU HG 3.319 2.403 5.315 4.562 4.327 4.724 . 0 0 "[ . 1 . 2 .]" 1
1050 1 67 VAL HB 1 86 LEU HG 2.654 . 4.450 4.523 4.323 4.624 0.174 20 0 "[ . 1 . 2 .]" 1
1051 1 40 LEU QD 1 83 ILE HG13 2.969 2.158 7.260 5.096 3.876 5.773 . 0 0 "[ . 1 . 2 .]" 1
1052 1 40 LEU QD 1 83 ILE HG12 2.933 2.133 7.213 4.919 4.414 5.513 . 0 0 "[ . 1 . 2 .]" 1
1053 1 40 LEU QD 1 83 ILE MG 2.114 . 6.648 2.028 1.779 2.553 0.021 5 0 "[ . 1 . 2 .]" 1
1054 1 40 LEU HG 1 83 ILE MD 1.981 . 4.975 4.948 4.378 5.186 0.211 22 0 "[ . 1 . 2 .]" 1
1055 1 40 LEU QD 1 83 ILE MD 2.253 . 5.161 3.668 3.332 4.243 . 0 0 "[ . 1 . 2 .]" 1
1056 1 41 LYS HA 1 83 ILE MG 2.741 . 5.063 5.135 5.050 5.224 0.161 17 0 "[ . 1 . 2 .]" 1
1057 1 68 TYR QD 1 83 ILE HG13 3.544 2.561 8.007 4.070 3.296 5.075 . 0 0 "[ . 1 . 2 .]" 1
1058 1 68 TYR QE 1 83 ILE HG12 3.349 2.424 7.754 4.050 3.482 5.316 . 0 0 "[ . 1 . 2 .]" 1
1059 1 79 ILE HB 1 83 ILE MD 2.553 . 4.819 4.503 3.900 4.897 0.078 3 0 "[ . 1 . 2 .]" 1
1060 1 79 ILE HA 1 83 ILE MD 3.324 2.407 5.821 4.532 4.065 5.050 . 0 0 "[ . 1 . 2 .]" 1
1061 1 79 ILE MG 1 83 ILE MD 2.158 . 5.806 2.475 1.903 2.868 . 0 0 "[ . 1 . 2 .]" 1
1062 1 80 SER QB 1 83 ILE MD 3.294 2.386 5.703 3.747 3.353 5.293 . 0 0 "[ . 1 . 2 .]" 1
1063 1 80 SER QB 1 83 ILE MG 2.839 2.067 6.191 4.894 4.582 4.998 . 0 0 "[ . 1 . 2 .]" 1
1064 1 80 SER QB 1 83 ILE HG13 3.454 2.498 6.490 4.992 4.397 5.398 . 0 0 "[ . 1 . 2 .]" 1
1065 1 83 ILE HA 1 83 ILE HG13 2.558 . 4.325 3.020 2.857 3.806 . 0 0 "[ . 1 . 2 .]" 1
1066 1 83 ILE HA 1 83 ILE HG12 2.514 . 4.268 2.583 2.436 3.189 . 0 0 "[ . 1 . 2 .]" 1
1067 1 83 ILE HG12 1 83 ILE MG 2.695 . 6.004 2.414 2.336 3.197 . 0 0 "[ . 1 . 2 .]" 1
1068 1 83 ILE MD 1 83 ILE HG12 2.283 . 5.468 2.119 2.112 2.122 . 0 0 "[ . 1 . 2 .]" 1
1069 1 83 ILE MD 1 83 ILE HG13 2.277 . 5.460 2.120 2.115 2.123 . 0 0 "[ . 1 . 2 .]" 1
1070 1 83 ILE HG13 1 83 ILE MG 2.499 . 5.749 3.169 2.340 3.213 . 0 0 "[ . 1 . 2 .]" 1
1071 1 83 ILE HB 1 83 ILE HG13 2.827 2.059 4.675 2.480 2.441 2.519 . 0 0 "[ . 1 . 2 .]" 1
1072 1 83 ILE HB 1 83 ILE HG12 2.821 2.055 4.667 3.003 2.450 3.030 . 0 0 "[ . 1 . 2 .]" 1
1073 1 83 ILE HA 1 83 ILE MD 2.584 . 4.859 3.775 2.144 3.900 . 0 0 "[ . 1 . 2 .]" 1
1074 1 83 ILE HA 1 83 ILE HB 2.858 2.081 3.715 3.026 3.017 3.032 . 0 0 "[ . 1 . 2 .]" 1
1075 1 83 ILE HA 1 83 ILE MG 2.317 . 4.512 2.440 2.362 2.503 . 0 0 "[ . 1 . 2 .]" 1
1076 1 83 ILE HB 1 83 ILE MG 1.925 . 4.002 2.124 2.118 2.128 . 0 0 "[ . 1 . 2 .]" 1
1077 1 83 ILE HB 1 83 ILE MD 2.182 . 4.337 2.432 2.325 3.239 . 0 0 "[ . 1 . 2 .]" 1
1078 1 83 ILE MG 1 84 ASN HA 2.872 2.090 5.234 3.425 3.142 3.714 . 0 0 "[ . 1 . 2 .]" 1
1079 1 83 ILE HA 1 86 LEU HB3 3.068 2.227 4.989 4.633 4.403 4.893 . 0 0 "[ . 1 . 2 .]" 1
1080 1 83 ILE HA 1 86 LEU HG 2.584 . 3.359 2.182 1.941 2.549 . 0 0 "[ . 1 . 2 .]" 1
1081 1 40 LEU HB3 1 84 ASN HA 3.092 2.244 5.020 3.260 2.258 4.413 . 0 0 "[ . 1 . 2 .]" 1
1082 1 84 ASN HA 1 84 ASN HB3 2.227 . 3.895 2.466 2.379 2.554 . 0 0 "[ . 1 . 2 .]" 1
1083 1 85 LYS HB2 1 85 LYS HD2 1.800 . 4.316 3.384 2.343 4.206 . 0 0 "[ . 1 . 2 .]" 1
1084 1 85 LYS HB3 1 85 LYS HD2 2.118 . 4.753 3.037 2.384 3.825 . 0 0 "[ . 1 . 2 .]" 1
1085 1 85 LYS HA 1 85 LYS QG 2.857 2.123 4.714 2.794 2.342 3.356 . 0 0 "[ . 1 . 2 .]" 1
1086 1 85 LYS HA 1 85 LYS HD2 2.941 2.139 4.823 4.072 2.093 5.551 0.728 22 1 "[ . 1 . 2 + .]" 1
1087 1 85 LYS HA 1 85 LYS QG 2.631 . 4.420 2.794 2.342 3.356 . 0 0 "[ . 1 . 2 .]" 1
1088 1 83 ILE HA 1 88 ILE MD 2.773 2.021 6.105 4.555 3.655 6.275 0.170 22 0 "[ . 1 . 2 .]" 1
1089 1 67 VAL HB 1 86 LEU QD 3.294 2.386 6.682 4.703 3.009 6.518 . 0 0 "[ . 1 . 2 .]" 1
1090 1 82 ASP HB2 1 86 LEU HG 3.436 2.485 5.467 5.630 5.551 5.710 0.243 15 0 "[ . 1 . 2 .]" 1
1091 1 82 ASP HA 1 86 LEU QD 3.863 2.784 7.400 4.104 3.885 4.312 . 0 0 "[ . 1 . 2 .]" 1
1092 1 83 ILE HA 1 86 LEU HB2 2.806 2.044 4.648 3.797 3.617 4.012 . 0 0 "[ . 1 . 2 .]" 1
1093 1 83 ILE HA 1 86 LEU QD 2.903 2.112 6.174 1.958 1.833 2.082 0.279 19 0 "[ . 1 . 2 .]" 1
1094 1 60 ILE MG 1 83 ILE MG 2.150 . 6.695 2.401 2.094 2.726 . 0 0 "[ . 1 . 2 .]" 1
1095 1 83 ILE MG 1 86 LEU HB2 2.634 . 5.924 3.840 3.569 4.139 . 0 0 "[ . 1 . 2 .]" 1
1096 1 84 ASN HA 1 86 LEU HG 3.088 2.242 4.014 4.381 4.314 4.447 0.433 15 0 "[ . 1 . 2 .]" 1
1097 1 85 LYS HE2 1 86 LEU QD 3.123 2.266 7.460 5.223 2.794 7.173 . 0 0 "[ . 1 . 2 .]" 1
1098 1 67 VAL MG1 1 86 LEU HA 2.077 . 6.000 2.292 2.179 2.394 . 0 0 "[ . 1 . 2 .]" 1
1099 1 86 LEU HA 1 86 LEU HG 2.955 2.149 3.841 3.489 3.415 3.568 . 0 0 "[ . 1 . 2 .]" 1
1100 1 86 LEU HA 1 86 LEU HB3 2.330 . 4.029 2.335 2.306 2.371 . 0 0 "[ . 1 . 2 .]" 1
1101 1 86 LEU HA 1 86 LEU HB2 2.236 . 3.907 2.996 2.980 3.011 . 0 0 "[ . 1 . 2 .]" 1
1102 1 86 LEU HB3 1 86 LEU HG 2.402 . 4.123 3.039 3.033 3.045 . 0 0 "[ . 1 . 2 .]" 1
1103 1 86 LEU QD 1 86 LEU HG 2.051 . 5.966 1.906 1.903 1.912 . 0 0 "[ . 1 . 2 .]" 1
1104 1 86 LEU HB3 1 86 LEU QD 2.412 . 7.436 2.109 2.096 2.120 . 0 0 "[ . 1 . 2 .]" 1
1105 1 86 LEU HB2 1 86 LEU QD 1.891 . 6.758 2.312 2.296 2.337 . 0 0 "[ . 1 . 2 .]" 1
1106 1 86 LEU HA 1 86 LEU QD 1.937 . 5.818 2.292 2.180 2.394 . 0 0 "[ . 1 . 2 .]" 1
1107 1 86 LEU HB3 1 88 ILE HA 3.433 2.483 5.463 4.569 3.958 5.443 . 0 0 "[ . 1 . 2 .]" 1
1108 1 86 LEU HB3 1 88 ILE MD 2.725 . 6.943 4.265 2.696 5.385 . 0 0 "[ . 1 . 2 .]" 1
1109 1 87 ASN HA 1 87 ASN HB3 2.358 . 4.065 2.720 2.513 2.850 . 0 0 "[ . 1 . 2 .]" 1
1110 1 87 ASN HA 1 87 ASN HB2 2.391 . 4.108 2.913 2.801 3.015 . 0 0 "[ . 1 . 2 .]" 1
1111 1 39 GLN HG2 1 88 ILE QG 3.145 2.282 6.088 5.926 5.573 6.022 . 0 0 "[ . 1 . 2 .]" 1
1112 1 39 GLN HG3 1 88 ILE QG 3.127 2.269 6.065 5.853 5.579 5.998 . 0 0 "[ . 1 . 2 .]" 1
1113 1 40 LEU HG 1 88 ILE HB 2.605 . 4.387 4.189 3.622 4.638 0.251 1 0 "[ . 1 . 2 .]" 1
1114 1 33 LEU MD2 1 40 LEU QD 3.585 2.589 7.061 2.600 1.799 3.800 0.790 25 4 "[ * - 1 . * 2 +]" 1
1115 1 62 VAL QG 1 88 ILE QG 2.967 2.157 5.857 2.472 1.861 4.210 0.296 5 0 "[ . 1 . 2 .]" 1
1116 1 88 ILE HA 1 88 ILE HB 2.767 2.017 3.597 2.946 2.641 3.015 . 0 0 "[ . 1 . 2 .]" 1
1117 1 88 ILE HA 1 88 ILE QG 2.662 . 4.247 2.590 2.388 3.237 . 0 0 "[ . 1 . 2 .]" 1
1118 1 88 ILE HA 1 88 ILE MD 2.511 . 4.764 3.085 1.863 4.091 . 0 0 "[ . 1 . 2 .]" 1
1119 1 40 LEU HB3 1 88 ILE HB 2.927 2.129 4.805 2.260 2.016 2.331 0.113 20 0 "[ . 1 . 2 .]" 1
1120 1 88 ILE HB 1 88 ILE QG 2.708 . 4.520 2.293 2.153 2.373 . 0 0 "[ . 1 . 2 .]" 1
1121 1 88 ILE MD 1 88 ILE QG 2.120 . 5.210 1.891 1.879 1.896 . 0 0 "[ . 1 . 2 .]" 1
1122 1 88 ILE HB 1 88 ILE MD 2.124 . 4.261 2.637 2.340 3.228 . 0 0 "[ . 1 . 2 .]" 1
1123 1 88 ILE QG 1 89 LYS QE 2.427 . 5.155 4.677 4.167 4.967 . 0 0 "[ . 1 . 2 .]" 1
1124 1 62 VAL QG 1 90 GLY QA 2.966 2.156 4.856 2.363 1.847 3.443 0.309 19 0 "[ . 1 . 2 .]" 1
1125 1 88 ILE MD 1 90 GLY QA 3.118 2.262 5.554 4.668 3.637 5.495 . 0 0 "[ . 1 . 2 .]" 1
1126 1 38 ASN HA 1 89 LYS QB 2.576 . 4.349 3.562 2.599 4.193 . 0 0 "[ . 1 . 2 .]" 1
1127 1 89 LYS HA 1 89 LYS QG 2.874 2.092 4.736 3.390 3.337 3.521 . 0 0 "[ . 1 . 2 .]" 1
1128 1 89 LYS HA 1 89 LYS QB 2.714 . 4.503 2.181 2.159 2.193 . 0 0 "[ . 1 . 2 .]" 1
1129 1 89 LYS QB 1 90 GLY QA 3.152 2.286 5.098 4.234 3.356 4.484 . 0 0 "[ . 1 . 2 .]" 1
1130 1 88 ILE MG 1 90 GLY QA 3.045 2.211 5.222 3.068 2.115 4.525 0.096 6 0 "[ . 1 . 2 .]" 1
1131 1 90 GLY QA 1 91 PRO HA 2.765 2.016 5.328 4.083 4.018 4.134 . 0 0 "[ . 1 . 2 .]" 1
1132 1 91 PRO HA 1 91 PRO HB3 2.635 . 4.425 2.330 2.313 2.343 . 0 0 "[ . 1 . 2 .]" 1
1133 1 91 PRO HA 1 91 PRO HG2 2.745 2.002 4.568 3.808 3.773 3.857 . 0 0 "[ . 1 . 2 .]" 1
1134 1 91 PRO HA 1 91 PRO HB2 3.106 2.254 5.038 2.670 2.659 2.682 . 0 0 "[ . 1 . 2 .]" 1
1135 1 91 PRO HB2 1 91 PRO HD3 3.382 2.447 6.397 3.935 3.901 3.987 . 0 0 "[ . 1 . 2 .]" 1
1136 1 91 PRO HB3 1 91 PRO HD3 3.482 2.518 6.526 2.976 2.899 3.104 . 0 0 "[ . 1 . 2 .]" 1
1137 1 91 PRO HB3 1 91 PRO HD2 3.483 2.518 6.528 3.846 3.820 3.882 . 0 0 "[ . 1 . 2 .]" 1
1138 1 91 PRO HD3 1 91 PRO HG2 2.493 . 5.241 2.982 2.962 2.995 . 0 0 "[ . 1 . 2 .]" 1
1139 1 91 PRO HD2 1 91 PRO HG2 2.533 . 5.293 2.299 2.279 2.310 . 0 0 "[ . 1 . 2 .]" 1
1140 1 12 GLU HG2 1 92 TYR HA 2.750 2.005 5.050 4.643 2.018 5.409 0.359 19 0 "[ . 1 . 2 .]" 1
1141 1 12 GLU HG2 1 92 TYR QB 3.813 2.749 5.901 3.381 1.874 4.500 0.875 21 2 "[ . 1- . 2+ .]" 1
1142 1 91 PRO HB2 1 92 TYR HA 2.855 2.078 4.712 4.513 4.238 4.785 0.073 17 0 "[ . 1 . 2 .]" 1
1143 1 91 PRO HB2 1 92 TYR QB 3.259 2.361 6.237 3.933 3.302 5.233 . 0 0 "[ . 1 . 2 .]" 1
1144 1 91 PRO HA 1 92 TYR HA 2.378 . 5.091 4.532 4.461 4.597 . 0 0 "[ . 1 . 2 .]" 1
1145 1 91 PRO HG2 1 92 TYR HA 2.498 . 4.247 4.406 4.286 4.446 0.199 8 0 "[ . 1 . 2 .]" 1
1146 1 91 PRO HG2 1 92 TYR QB 3.502 2.531 6.523 3.810 2.991 4.320 . 0 0 "[ . 1 . 2 .]" 1
1147 1 92 TYR HA 1 92 TYR QB 2.672 2.093 4.473 2.211 2.166 2.355 . 0 0 "[ . 1 . 2 .]" 1
1148 1 62 VAL HA 1 93 ILE HA 2.665 . 3.465 2.547 1.930 3.267 0.015 12 0 "[ . 1 . 2 .]" 1
1149 1 89 LYS QG 1 90 GLY QA 3.061 2.223 4.869 3.806 3.244 4.309 . 0 0 "[ . 1 . 2 .]" 1
1150 1 90 GLY QA 1 93 ILE MD 2.893 2.105 4.967 2.818 2.032 4.160 0.073 25 0 "[ . 1 . 2 .]" 1
1151 1 91 PRO HD3 1 93 ILE QG 3.451 2.496 6.486 5.556 4.704 7.289 0.803 11 1 "[ . 1+ . 2 .]" 1
1152 1 93 ILE HA 1 93 ILE HB 2.619 . 3.405 2.975 2.374 3.035 . 0 0 "[ . 1 . 2 .]" 1
1153 1 93 ILE HB 1 93 ILE MG 2.315 . 4.510 2.130 2.124 2.134 . 0 0 "[ . 1 . 2 .]" 1
1154 1 93 ILE HA 1 93 ILE QG 2.359 2.242 4.067 2.507 2.261 3.319 . 0 0 "[ . 1 . 2 .]" 1
1155 1 93 ILE HA 1 93 ILE MG 2.355 . 4.561 2.406 2.280 2.526 . 0 0 "[ . 1 . 2 .]" 1
1156 1 93 ILE HB 1 93 ILE MG 2.046 . 5.160 1.951 1.867 1.994 . 0 0 "[ . 1 . 2 .]" 1
1157 1 93 ILE QG 1 93 ILE MG 2.423 . 5.650 2.275 2.069 2.405 . 0 0 "[ . 1 . 2 .]" 1
1158 1 93 ILE HA 1 93 ILE MD 2.968 2.158 5.358 3.526 2.114 4.173 0.044 10 0 "[ . 1 . 2 .]" 1
1159 1 93 ILE MD 1 93 ILE QG 2.079 . 5.203 1.888 1.880 1.891 . 0 0 "[ . 1 . 2 .]" 1
1160 1 17 ILE HB 1 17 ILE MD 2.661 . 5.959 2.565 2.219 3.233 . 0 0 "[ . 1 . 2 .]" 1
1161 1 63 ASN HA 1 93 ILE MG 2.796 2.037 5.135 3.921 3.608 5.098 . 0 0 "[ . 1 . 2 .]" 1
1162 1 93 ILE MG 1 94 GLU HB2 2.706 . 6.018 4.458 3.985 5.924 . 0 0 "[ . 1 . 2 .]" 1
1163 1 94 GLU HA 1 94 GLU HB3 2.636 . 4.427 2.460 2.413 2.544 . 0 0 "[ . 1 . 2 .]" 1
1164 1 94 GLU HA 1 94 GLU HB2 2.424 . 4.151 3.013 3.001 3.025 . 0 0 "[ . 1 . 2 .]" 1
1165 1 94 GLU HB3 1 94 GLU HG2 2.223 . 4.890 2.710 2.383 3.012 . 0 0 "[ . 1 . 2 .]" 1
1166 1 94 GLU HA 1 94 GLU HG2 2.516 . 4.271 2.750 2.417 3.023 . 0 0 "[ . 1 . 2 .]" 1
1167 1 94 GLU HA 1 94 GLU HG3 3.234 2.344 5.204 3.425 2.969 3.847 . 0 0 "[ . 1 . 2 .]" 1
1168 1 58 TRP HZ3 1 95 ILE HA 3.135 2.274 4.076 2.606 2.430 2.810 . 0 0 "[ . 1 . 2 .]" 1
1169 1 58 TRP HD1 1 95 ILE MD 3.350 2.425 4.355 4.303 3.613 4.529 0.174 4 0 "[ . 1 . 2 .]" 1
1170 1 94 GLU HA 1 95 ILE MG 3.533 2.553 6.093 4.914 3.922 5.557 . 0 0 "[ . 1 . 2 .]" 1
1171 1 95 ILE HA 1 95 ILE HB 2.713 . 3.527 2.832 2.512 3.037 . 0 0 "[ . 1 . 2 .]" 1
1172 1 95 ILE HA 1 95 ILE QG 2.740 2.020 4.562 2.388 2.182 2.919 . 0 0 "[ . 1 . 2 .]" 1
1173 1 95 ILE HA 1 95 ILE MG 2.150 . 4.295 2.736 2.320 3.234 . 0 0 "[ . 1 . 2 .]" 1
1174 1 95 ILE HB 1 95 ILE QG 2.644 . 4.437 2.313 2.178 2.493 . 0 0 "[ . 1 . 2 .]" 1
1175 1 95 ILE MD 1 95 ILE QG 2.114 . 5.184 1.887 1.882 1.890 . 0 0 "[ . 1 . 2 .]" 1
1176 1 95 ILE HB 1 95 ILE MG 1.928 . 4.006 2.118 2.096 2.126 . 0 0 "[ . 1 . 2 .]" 1
1177 1 95 ILE QG 1 95 ILE MG 2.595 . 5.873 2.352 2.125 2.536 . 0 0 "[ . 1 . 2 .]" 1
1178 1 95 ILE MD 1 95 ILE MG 1.898 . 5.467 1.925 1.773 2.369 0.027 23 0 "[ . 1 . 2 .]" 1
1179 1 95 ILE HB 1 95 ILE MD 2.224 . 4.391 2.601 2.229 3.233 . 0 0 "[ . 1 . 2 .]" 1
1180 1 95 ILE HA 1 95 ILE MD 2.721 . 5.037 3.419 1.983 3.801 0.002 2 0 "[ . 1 . 2 .]" 1
1181 1 95 ILE MG 1 96 LYS HA 3.048 2.213 5.463 3.856 3.439 4.142 . 0 0 "[ . 1 . 2 .]" 1
1182 1 58 TRP HH2 1 95 ILE MG 2.593 . 4.871 2.173 1.718 2.897 0.177 2 0 "[ . 1 . 2 .]" 1
1183 1 96 LYS HA 1 96 LYS QG 2.562 . 4.331 3.397 3.268 3.458 . 0 0 "[ . 1 . 2 .]" 1
1184 1 96 LYS HA 1 96 LYS HB3 2.277 . 3.960 2.461 2.375 2.625 . 0 0 "[ . 1 . 2 .]" 1
1185 1 96 LYS HB2 1 96 LYS QD 2.378 2.063 5.091 2.794 2.105 3.524 . 0 0 "[ . 1 . 2 .]" 1
1186 1 96 LYS HB3 1 96 LYS QG 2.822 2.056 5.599 2.260 2.140 2.493 . 0 0 "[ . 1 . 2 .]" 1
1187 1 96 LYS HB2 1 96 LYS QG 2.901 2.175 5.771 2.358 2.138 2.506 0.037 1 0 "[ . 1 . 2 .]" 1
1188 1 96 LYS HE2 1 96 LYS QG 2.819 2.143 5.665 2.910 2.287 3.498 . 0 0 "[ . 1 . 2 .]" 1
1189 1 96 LYS QD 1 96 LYS HE3 3.091 2.244 5.011 2.293 2.167 2.403 0.077 14 0 "[ . 1 . 2 .]" 1
1190 1 96 LYS QD 1 96 LYS HE2 2.907 2.115 5.067 2.302 2.171 2.410 . 0 0 "[ . 1 . 2 .]" 1
1191 1 96 LYS HB3 1 96 LYS QD 2.656 . 4.925 3.059 2.163 3.507 . 0 0 "[ . 1 . 2 .]" 1
1192 1 57 ASN HA 1 97 GLN HE21 3.133 2.273 5.083 5.112 4.563 5.249 0.166 12 0 "[ . 1 . 2 .]" 1
1193 1 57 ASN QB 1 97 GLN QB 2.867 2.087 4.727 4.119 3.761 4.321 . 0 0 "[ . 1 . 2 .]" 1
1194 1 58 TRP HA 1 97 GLN HA 2.168 . 2.818 1.956 1.803 2.099 . 0 0 "[ . 1 . 2 .]" 1
1195 1 97 GLN HA 1 97 GLN QB 2.415 . 3.926 2.153 2.118 2.385 . 0 0 "[ . 1 . 2 .]" 1
1196 1 97 GLN QB 1 97 GLN HG3 2.573 . 5.345 2.350 2.128 2.503 . 0 0 "[ . 1 . 2 .]" 1
1197 1 97 GLN QB 1 97 GLN HG2 2.577 . 5.350 2.304 2.127 2.464 . 0 0 "[ . 1 . 2 .]" 1
1198 1 97 GLN HA 1 97 GLN HG3 2.257 . 3.934 3.702 2.794 3.974 0.040 23 0 "[ . 1 . 2 .]" 1
1199 1 97 GLN HA 1 97 GLN HG2 2.761 2.013 4.589 3.612 2.304 4.223 . 0 0 "[ . 1 . 2 .]" 1
1200 1 97 GLN HE22 1 97 GLN HG3 3.545 2.562 5.608 3.987 3.486 4.077 . 0 0 "[ . 1 . 2 .]" 1
1201 1 97 GLN HE22 1 97 GLN HG2 3.519 2.543 5.575 3.805 3.482 4.061 . 0 0 "[ . 1 . 2 .]" 1
1202 1 57 ASN HA 1 98 ILE MD 3.258 2.361 5.735 4.494 3.803 5.397 . 0 0 "[ . 1 . 2 .]" 1
1203 1 57 ASN QB 1 98 ILE HG12 2.553 . 5.319 3.482 2.370 4.875 . 0 0 "[ . 1 . 2 .]" 1
1204 1 57 ASN QB 1 98 ILE MD 2.614 . 5.398 2.637 1.970 4.107 . 0 0 "[ . 1 . 2 .]" 1
1205 1 57 ASN QB 1 98 ILE MD 2.590 . 5.867 3.300 2.157 4.953 . 0 0 "[ . 1 . 2 .]" 1
1206 1 57 ASN QD 1 98 ILE HA 3.449 2.494 4.484 4.005 3.781 4.318 . 0 0 "[ . 1 . 2 .]" 1
1207 1 57 ASN QD 1 98 ILE MG 1.962 . 4.050 3.902 3.371 4.049 . 0 0 "[ . 1 . 2 .]" 1
1208 1 57 ASN QD 1 98 ILE MD 2.489 . 4.736 3.102 2.408 3.608 . 0 0 "[ . 1 . 2 .]" 1
1209 1 57 ASN QB 1 98 ILE HG13 3.042 2.215 5.955 2.817 2.197 4.385 0.018 19 0 "[ . 1 . 2 .]" 1
1210 1 58 TRP HA 1 98 ILE MD 2.925 2.127 5.303 3.917 2.871 4.323 . 0 0 "[ . 1 . 2 .]" 1
1211 1 58 TRP HA 1 98 ILE HG12 2.909 2.116 4.782 3.311 2.970 4.106 . 0 0 "[ . 1 . 2 .]" 1
1212 1 58 TRP HA 1 98 ILE HG13 2.956 2.149 4.843 4.612 3.383 4.978 0.135 5 0 "[ . 1 . 2 .]" 1
1213 1 59 GLY HA2 1 98 ILE MD 2.485 . 4.730 3.674 3.045 4.591 . 0 0 "[ . 1 . 2 .]" 1
1214 1 59 GLY HA2 1 98 ILE MG 2.604 . 4.885 4.873 3.641 5.328 0.443 19 0 "[ . 1 . 2 .]" 1
1215 1 59 GLY HA3 1 98 ILE MG 2.802 2.041 5.143 3.479 2.296 4.041 . 0 0 "[ . 1 . 2 .]" 1
1216 1 59 GLY HA3 1 98 ILE MD 2.565 . 4.834 2.707 2.115 3.790 . 0 0 "[ . 1 . 2 .]" 1
1217 1 69 THR HB 1 98 ILE MD 2.659 . 4.957 4.921 3.921 5.125 0.168 6 0 "[ . 1 . 2 .]" 1
1218 1 96 LYS HE3 1 98 ILE MG 3.191 2.314 6.648 4.968 2.465 6.694 0.046 3 0 "[ . 1 . 2 .]" 1
1219 1 97 GLN HA 1 98 ILE HG13 3.380 2.446 5.394 4.660 3.512 5.368 . 0 0 "[ . 1 . 2 .]" 1
1220 1 97 GLN QB 1 98 ILE HA 3.500 2.530 5.550 4.395 4.040 5.098 . 0 0 "[ . 1 . 2 .]" 1
1221 1 97 GLN HA 1 98 ILE MG 3.065 2.226 5.484 3.671 3.195 5.026 . 0 0 "[ . 1 . 2 .]" 1
1222 1 97 GLN QB 1 98 ILE MD 2.318 . 5.225 4.648 3.672 4.877 . 0 0 "[ . 1 . 2 .]" 1
1223 1 98 ILE HA 1 98 ILE HG12 2.769 2.018 4.600 3.464 2.974 3.615 . 0 0 "[ . 1 . 2 .]" 1
1224 1 98 ILE HA 1 98 ILE HB 2.119 . 2.755 2.653 2.545 2.922 0.167 15 0 "[ . 1 . 2 .]" 1
1225 1 98 ILE HB 1 98 ILE HG12 2.352 . 4.058 2.965 2.579 3.031 . 0 0 "[ . 1 . 2 .]" 1
1226 1 98 ILE HG12 1 98 ILE MG 2.668 . 5.968 2.623 2.367 3.173 . 0 0 "[ . 1 . 2 .]" 1
1227 1 98 ILE MD 1 98 ILE MG 2.064 . 5.683 1.885 1.809 1.952 . 0 0 "[ . 1 . 2 .]" 1
1228 1 98 ILE HB 1 98 ILE MG 1.935 . 4.015 2.125 2.113 2.131 . 0 0 "[ . 1 . 2 .]" 1
1229 1 98 ILE HA 1 98 ILE MG 2.078 . 4.201 2.174 2.116 2.225 . 0 0 "[ . 1 . 2 .]" 1
1230 1 98 ILE MD 1 98 ILE HG12 1.845 . 4.898 2.109 2.099 2.120 . 0 0 "[ . 1 . 2 .]" 1
1231 1 98 ILE HB 1 98 ILE MD 2.169 . 4.320 2.689 2.433 3.214 . 0 0 "[ . 1 . 2 .]" 1
1232 1 98 ILE HA 1 98 ILE MD 2.666 . 4.966 3.985 2.915 4.178 . 0 0 "[ . 1 . 2 .]" 1
1233 1 98 ILE HB 1 98 ILE HG13 2.801 2.041 4.641 2.367 2.258 2.478 . 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 44
_Distance_constraint_stats_list.Viol_count 155
_Distance_constraint_stats_list.Viol_total 320.750
_Distance_constraint_stats_list.Viol_max 0.269
_Distance_constraint_stats_list.Viol_rms 0.0402
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0828
_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 15 ASN 0.021 0.010 8 0 "[ . 1 . 2 .]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 SER 0.159 0.045 24 0 "[ . 1 . 2 .]"
1 20 VAL 0.010 0.010 13 0 "[ . 1 . 2 .]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LYS 0.138 0.045 24 0 "[ . 1 . 2 .]"
1 24 LEU 0.010 0.010 13 0 "[ . 1 . 2 .]"
1 30 LYS 3.171 0.239 9 0 "[ . 1 . 2 .]"
1 32 SER 0.047 0.040 17 0 "[ . 1 . 2 .]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 ASN 0.018 0.011 8 0 "[ . 1 . 2 .]"
1 39 GLN 0.018 0.011 8 0 "[ . 1 . 2 .]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 THR 0.047 0.040 17 0 "[ . 1 . 2 .]"
1 45 SER 3.171 0.239 9 0 "[ . 1 . 2 .]"
1 56 LYS 1.412 0.195 24 0 "[ . 1 . 2 .]"
1 57 ASN 0.081 0.050 4 0 "[ . 1 . 2 .]"
1 58 TRP 0.270 0.087 15 0 "[ . 1 . 2 .]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 60 ILE 0.121 0.037 24 0 "[ . 1 . 2 .]"
1 61 PHE 0.189 0.050 8 0 "[ . 1 . 2 .]"
1 63 ASN 0.570 0.127 24 0 "[ . 1 . 2 .]"
1 68 TYR 0.121 0.037 24 0 "[ . 1 . 2 .]"
1 70 PHE 0.270 0.087 15 0 "[ . 1 . 2 .]"
1 72 GLU 1.412 0.195 24 0 "[ . 1 . 2 .]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 76 VAL 0.049 0.030 19 0 "[ . 1 . 2 .]"
1 77 GLY 0.071 0.031 19 0 "[ . 1 . 2 .]"
1 78 ASN 1.161 0.093 22 0 "[ . 1 . 2 .]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 80 SER 0.313 0.080 14 0 "[ . 1 . 2 .]"
1 81 ASN 0.071 0.031 19 0 "[ . 1 . 2 .]"
1 82 ASP 1.161 0.093 22 0 "[ . 1 . 2 .]"
1 83 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 84 ASN 0.264 0.080 14 0 "[ . 1 . 2 .]"
1 85 LYS 5.238 0.269 5 0 "[ . 1 . 2 .]"
1 87 ASN 5.238 0.269 5 0 "[ . 1 . 2 .]"
1 92 TYR 0.570 0.127 24 0 "[ . 1 . 2 .]"
1 94 GLU 0.189 0.050 8 0 "[ . 1 . 2 .]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 98 ILE 0.081 0.050 4 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 15 ASN O 1 19 SER N 3.200 2.516 3.927 2.799 2.687 3.001 . 0 0 "[ . 1 . 2 .]" 2
2 1 15 ASN O 1 19 SER H 2.200 . 2.700 1.835 1.720 2.019 0.010 8 0 "[ . 1 . 2 .]" 2
3 1 18 ASN O 1 22 ASP N 3.200 2.516 3.927 2.944 2.761 3.170 . 0 0 "[ . 1 . 2 .]" 2
4 1 18 ASN O 1 22 ASP H 2.200 . 2.700 2.016 1.785 2.264 . 0 0 "[ . 1 . 2 .]" 2
5 1 19 SER O 1 23 LYS N 3.200 2.516 3.927 3.194 2.885 3.457 . 0 0 "[ . 1 . 2 .]" 2
6 1 19 SER O 1 23 LYS H 2.200 . 2.700 2.543 2.215 2.745 0.045 24 0 "[ . 1 . 2 .]" 2
7 1 20 VAL O 1 24 LEU N 3.200 2.516 3.927 2.794 2.664 2.969 . 0 0 "[ . 1 . 2 .]" 2
8 1 20 VAL O 1 24 LEU H 2.200 . 2.700 1.891 1.720 2.029 0.010 13 0 "[ . 1 . 2 .]" 2
9 1 30 LYS H 1 45 SER O 2.200 . 2.700 2.827 2.717 2.939 0.239 9 0 "[ . 1 . 2 .]" 2
10 1 30 LYS N 1 45 SER O 3.200 2.516 3.927 3.705 3.540 3.891 . 0 0 "[ . 1 . 2 .]" 2
11 1 32 SER O 1 43 THR N 3.200 2.516 3.927 3.223 2.925 3.480 . 0 0 "[ . 1 . 2 .]" 2
12 1 32 SER O 1 43 THR H 2.200 . 2.700 2.400 2.074 2.740 0.040 17 0 "[ . 1 . 2 .]" 2
13 1 34 SER O 1 41 LYS N 3.200 2.516 3.927 3.128 2.872 3.642 . 0 0 "[ . 1 . 2 .]" 2
14 1 34 SER O 1 41 LYS H 2.200 . 2.700 2.170 1.890 2.677 . 0 0 "[ . 1 . 2 .]" 2
15 1 36 ASN H 1 39 GLN O 2.200 . 2.700 2.014 1.723 2.711 0.011 8 0 "[ . 1 . 2 .]" 2
16 1 36 ASN N 1 39 GLN O 3.200 2.516 3.927 2.974 2.672 3.644 . 0 0 "[ . 1 . 2 .]" 2
17 1 56 LYS O 1 72 GLU N 3.200 2.516 3.927 3.538 3.024 3.765 . 0 0 "[ . 1 . 2 .]" 2
18 1 56 LYS O 1 72 GLU H 2.200 . 2.700 2.667 2.081 2.895 0.195 24 0 "[ . 1 . 2 .]" 2
19 1 57 ASN O 1 98 ILE N 3.200 2.516 3.927 2.911 2.655 3.639 . 0 0 "[ . 1 . 2 .]" 2
20 1 57 ASN O 1 98 ILE H 2.200 . 2.700 1.947 1.680 2.732 0.050 4 0 "[ . 1 . 2 .]" 2
21 1 58 TRP O 1 70 PHE N 3.200 2.516 3.927 3.410 2.922 3.691 . 0 0 "[ . 1 . 2 .]" 2
22 1 58 TRP O 1 70 PHE H 2.200 . 2.700 2.490 1.973 2.787 0.087 15 0 "[ . 1 . 2 .]" 2
23 1 59 GLY O 1 96 LYS N 3.200 2.516 3.927 3.084 2.785 3.494 . 0 0 "[ . 1 . 2 .]" 2
24 1 59 GLY O 1 96 LYS H 2.200 . 2.700 2.142 1.870 2.509 . 0 0 "[ . 1 . 2 .]" 2
25 1 60 ILE H 1 68 TYR O 2.200 . 2.700 1.794 1.693 1.936 0.037 24 0 "[ . 1 . 2 .]" 2
26 1 60 ILE N 1 68 TYR O 3.200 2.516 3.927 2.729 2.656 2.829 . 0 0 "[ . 1 . 2 .]" 2
27 1 61 PHE O 1 94 GLU N 3.200 2.516 3.927 2.722 2.629 2.896 . 0 0 "[ . 1 . 2 .]" 2
28 1 61 PHE O 1 94 GLU H 2.200 . 2.700 1.779 1.680 2.020 0.050 8 0 "[ . 1 . 2 .]" 2
29 1 63 ASN H 1 92 TYR O 2.200 . 2.700 2.543 1.767 2.827 0.127 24 0 "[ . 1 . 2 .]" 2
30 1 63 ASN N 1 92 TYR O 3.200 2.516 3.927 3.454 2.725 3.789 . 0 0 "[ . 1 . 2 .]" 2
31 1 75 THR O 1 79 ILE N 3.200 2.516 3.927 3.041 2.883 3.194 . 0 0 "[ . 1 . 2 .]" 2
32 1 75 THR O 1 79 ILE H 2.200 . 2.700 2.104 1.941 2.279 . 0 0 "[ . 1 . 2 .]" 2
33 1 76 VAL O 1 80 SER N 3.200 2.516 3.927 2.782 2.648 3.018 . 0 0 "[ . 1 . 2 .]" 2
34 1 76 VAL O 1 80 SER H 2.200 . 2.700 1.836 1.700 2.090 0.030 19 0 "[ . 1 . 2 .]" 2
35 1 77 GLY O 1 81 ASN N 3.200 2.516 3.927 3.412 3.136 3.651 . 0 0 "[ . 1 . 2 .]" 2
36 1 77 GLY O 1 81 ASN H 2.200 . 2.700 2.508 2.216 2.731 0.031 19 0 "[ . 1 . 2 .]" 2
37 1 78 ASN O 1 82 ASP N 3.200 2.516 3.927 3.544 3.276 3.626 . 0 0 "[ . 1 . 2 .]" 2
38 1 78 ASN O 1 82 ASP H 2.200 . 2.700 2.735 2.453 2.793 0.093 22 0 "[ . 1 . 2 .]" 2
39 1 79 ILE O 1 83 ILE N 3.200 2.516 3.927 3.228 2.834 3.543 . 0 0 "[ . 1 . 2 .]" 2
40 1 79 ILE O 1 83 ILE H 2.200 . 2.700 2.281 1.902 2.572 . 0 0 "[ . 1 . 2 .]" 2
41 1 80 SER O 1 84 ASN N 3.200 2.516 3.927 3.116 2.780 3.402 . 0 0 "[ . 1 . 2 .]" 2
42 1 80 SER O 1 84 ASN H 2.200 . 2.700 2.462 2.043 2.780 0.080 14 0 "[ . 1 . 2 .]" 2
43 1 85 LYS O 1 87 ASN N 3.200 2.516 3.927 3.082 2.974 3.134 . 0 0 "[ . 1 . 2 .]" 2
44 1 85 LYS O 1 87 ASN H 2.200 . 2.700 2.910 2.828 2.969 0.269 5 0 "[ . 1 . 2 .]" 2
stop_
save_
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