NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
467072 |
2ku5   |
16722 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ku5
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 2290
_Distance_constraint_stats_list.Viol_count 5350
_Distance_constraint_stats_list.Viol_total 8451.984
_Distance_constraint_stats_list.Viol_max 0.989
_Distance_constraint_stats_list.Viol_rms 0.0349
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0790
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 1.170 0.120 18 0 "[ . 1 . 2]"
1 2 VAL 2.582 0.120 18 0 "[ . 1 . 2]"
1 3 VAL 3.366 0.089 15 0 "[ . 1 . 2]"
1 4 GLY 2.518 0.093 13 0 "[ . 1 . 2]"
1 5 GLY 1.439 0.093 13 0 "[ . 1 . 2]"
1 6 LEU 5.078 0.100 15 0 "[ . 1 . 2]"
1 7 GLY 2.809 0.097 6 0 "[ . 1 . 2]"
1 8 GLY 3.956 0.147 2 0 "[ . 1 . 2]"
1 9 TYR 8.887 0.313 12 0 "[ . 1 . 2]"
1 10 MET 7.153 0.243 18 0 "[ . 1 . 2]"
1 11 LEU 6.382 0.303 1 0 "[ . 1 . 2]"
1 12 GLY 0.978 0.101 16 0 "[ . 1 . 2]"
1 13 SER 9.994 0.389 3 0 "[ . 1 . 2]"
1 14 ALA 10.350 0.389 3 0 "[ . 1 . 2]"
1 15 MET 10.701 0.268 4 0 "[ . 1 . 2]"
1 16 SER 2.760 0.193 6 0 "[ . 1 . 2]"
1 17 ARG 2.857 0.188 18 0 "[ . 1 . 2]"
1 18 PRO 1.496 0.094 18 0 "[ . 1 . 2]"
1 19 MET 12.381 0.766 11 1 "[ . 1+ . 2]"
1 20 ILE 9.824 0.139 17 0 "[ . 1 . 2]"
1 21 HIS 4.965 0.106 8 0 "[ . 1 . 2]"
1 22 PHE 11.632 0.153 8 0 "[ . 1 . 2]"
1 23 GLY 0.527 0.089 16 0 "[ . 1 . 2]"
1 24 ASN 3.960 0.105 17 0 "[ . 1 . 2]"
1 25 ASP 3.142 0.097 1 0 "[ . 1 . 2]"
1 26 TRP 11.115 0.108 20 0 "[ . 1 . 2]"
1 27 GLU 4.404 0.088 7 0 "[ . 1 . 2]"
1 28 ASP 2.856 0.089 17 0 "[ . 1 . 2]"
1 29 ARG 11.936 0.886 18 6 "[ * . * * - +*2]"
1 30 TYR 11.375 0.528 1 1 "[+ . 1 . 2]"
1 31 TYR 16.818 0.989 11 2 "[- . 1+ . 2]"
1 32 ARG 16.116 0.989 11 8 "[* * . * *+ - **2]"
1 33 GLU 5.034 0.263 11 0 "[ . 1 . 2]"
1 34 ASN 3.124 0.419 13 0 "[ . 1 . 2]"
1 35 MET 4.772 0.138 11 0 "[ . 1 . 2]"
1 36 TYR 3.520 0.117 13 0 "[ . 1 . 2]"
1 37 ARG 4.094 0.437 18 0 "[ . 1 . 2]"
1 38 TYR 10.425 0.489 3 0 "[ . 1 . 2]"
1 39 PRO 1.958 0.098 20 0 "[ . 1 . 2]"
1 40 ASN 1.365 0.099 15 0 "[ . 1 . 2]"
1 41 GLN 7.188 0.229 5 0 "[ . 1 . 2]"
1 42 VAL 1.423 0.096 20 0 "[ . 1 . 2]"
1 43 TYR 4.856 0.303 1 0 "[ . 1 . 2]"
1 44 TYR 14.956 0.867 18 2 "[ . 1 * . + 2]"
1 45 ARG 6.146 0.491 14 0 "[ . 1 . 2]"
1 46 PRO 3.132 0.103 12 0 "[ . 1 . 2]"
1 47 VAL 7.170 0.355 18 0 "[ . 1 . 2]"
1 48 SER 0.947 0.323 13 0 "[ . 1 . 2]"
1 49 GLN 6.165 0.582 20 1 "[ . 1 . +]"
1 50 TYR 17.191 0.881 16 9 "[* . * 1** *+ -**]"
1 51 SER 1.765 0.217 12 0 "[ . 1 . 2]"
1 52 ASN 3.848 0.696 16 3 "[ . 1 .+- *]"
1 53 GLN 4.938 0.104 11 0 "[ . 1 . 2]"
1 54 ASN 6.983 0.580 20 1 "[ . 1 . +]"
1 55 ASN 8.309 0.696 16 2 "[ . 1 .+- 2]"
1 56 PHE 14.249 0.881 16 10 "[* . **1** *+ -**]"
1 57 VAL 6.618 0.302 2 0 "[ . 1 . 2]"
1 58 HIS 4.507 0.087 20 0 "[ . 1 . 2]"
1 59 ASP 6.391 0.134 5 0 "[ . 1 . 2]"
1 60 CYS 4.236 0.302 2 0 "[ . 1 . 2]"
1 61 VAL 8.011 0.135 9 0 "[ . 1 . 2]"
1 62 ASN 9.224 0.110 13 0 "[ . 1 . 2]"
1 63 ILE 8.279 0.134 5 0 "[ . 1 . 2]"
1 64 THR 4.222 0.108 16 0 "[ . 1 . 2]"
1 65 ILE 7.489 0.135 9 0 "[ . 1 . 2]"
1 66 LYS 7.864 0.318 18 0 "[ . 1 . 2]"
1 67 GLN 2.424 0.098 16 0 "[ . 1 . 2]"
1 68 HIS 17.258 0.291 12 0 "[ . 1 . 2]"
1 69 THR 9.494 0.121 15 0 "[ . 1 . 2]"
1 70 VAL 6.813 0.311 18 0 "[ . 1 . 2]"
1 71 THR 8.173 0.120 11 0 "[ . 1 . 2]"
1 72 THR 16.942 0.131 14 0 "[ . 1 . 2]"
1 73 THR 6.618 0.120 1 0 "[ . 1 . 2]"
1 74 THR 7.089 0.120 8 0 "[ . 1 . 2]"
1 75 LYS 10.599 0.131 14 0 "[ . 1 . 2]"
1 76 GLY 1.219 0.092 4 0 "[ . 1 . 2]"
1 77 GLU 11.352 0.118 14 0 "[ . 1 . 2]"
1 78 ASN 7.284 0.107 18 0 "[ . 1 . 2]"
1 79 PHE 13.882 0.718 18 1 "[ . 1 . + 2]"
1 80 THR 7.436 0.893 3 2 "[ + . 1 . - 2]"
1 81 GLU 3.742 0.107 2 0 "[ . 1 . 2]"
1 82 THR 7.866 0.199 9 0 "[ . 1 . 2]"
1 83 ASP 2.557 0.893 3 2 "[ + . 1 . - 2]"
1 84 VAL 4.679 0.164 3 0 "[ . 1 . 2]"
1 85 LYS 3.646 0.168 9 0 "[ . 1 . 2]"
1 86 MET 13.871 0.528 1 1 "[+ . 1 . 2]"
1 87 MET 7.409 0.868 11 2 "[ . -1+ . 2]"
1 88 GLU 5.873 0.244 3 0 "[ . 1 . 2]"
1 89 ARG 2.844 0.140 8 0 "[ . 1 . 2]"
1 90 VAL 8.112 0.140 8 0 "[ . 1 . 2]"
1 91 VAL 6.850 0.868 11 2 "[ . -1+ . 2]"
1 92 GLU 3.885 0.297 20 0 "[ . 1 . 2]"
1 93 GLN 2.466 0.088 20 0 "[ . 1 . 2]"
1 94 MET 8.721 0.128 15 0 "[ . 1 . 2]"
1 95 CYS 4.040 0.297 20 0 "[ . 1 . 2]"
1 96 VAL 4.620 0.099 16 0 "[ . 1 . 2]"
1 97 THR 10.294 0.150 15 0 "[ . 1 . 2]"
1 98 GLN 7.696 0.907 12 2 "[ . - + . 2]"
1 99 TYR 8.716 0.132 7 0 "[ . 1 . 2]"
1 100 GLN 3.343 0.339 11 0 "[ . 1 . 2]"
1 101 LYS 5.947 0.230 19 0 "[ . 1 . 2]"
1 102 GLU 13.249 0.907 12 4 "[ . ** + . - 2]"
1 103 SER 5.757 0.660 11 2 "[ . 1+ . - 2]"
1 104 GLN 11.545 0.660 11 1 "[ . 1+ . 2]"
1 105 ALA 5.807 0.123 7 0 "[ . 1 . 2]"
1 106 TYR 11.305 0.323 13 0 "[ . 1 . 2]"
1 107 TYR 13.511 0.563 18 1 "[ . 1 . + 2]"
1 108 ASP 7.323 0.265 1 0 "[ . 1 . 2]"
1 109 GLY 3.750 0.090 10 0 "[ . 1 . 2]"
1 110 ARG 9.840 0.136 9 0 "[ . 1 . 2]"
1 111 ARG 9.287 0.819 19 3 "[ .- *1 . +2]"
1 112 SER 7.500 0.819 19 3 "[ .- *1 . +2]"
1 113 SER 3.112 0.117 3 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 1 SER H1 1 1 SER QB . . 3.600 3.276 2.454 3.542 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER H1 1 2 VAL H . . 4.420 4.334 3.935 4.540 0.120 18 0 "[ . 1 . 2]" 1
3 1 1 SER HA 1 1 SER QB . . 2.770 2.368 2.159 2.550 . 0 0 "[ . 1 . 2]" 1
4 1 1 SER HA 1 2 VAL H . . 2.690 2.564 2.266 2.767 0.077 11 0 "[ . 1 . 2]" 1
5 1 1 SER HA 1 2 VAL QG . . 3.750 3.497 3.120 3.759 0.009 2 0 "[ . 1 . 2]" 1
6 1 1 SER QB 1 2 VAL H . . 3.460 2.387 1.839 3.064 . 0 0 "[ . 1 . 2]" 1
7 1 1 SER QB 1 2 VAL HA . . 4.270 4.068 3.761 4.322 0.052 16 0 "[ . 1 . 2]" 1
8 1 1 SER QB 1 2 VAL QG . . 4.450 3.939 2.684 4.364 . 0 0 "[ . 1 . 2]" 1
9 1 1 SER QB 1 3 VAL H . . 5.490 5.266 4.223 5.575 0.085 12 0 "[ . 1 . 2]" 1
10 1 2 VAL H 1 2 VAL HB . . 3.280 3.134 2.452 3.371 0.091 18 0 "[ . 1 . 2]" 1
11 1 2 VAL H 1 2 VAL QG . . 3.370 2.424 1.722 3.170 . 0 0 "[ . 1 . 2]" 1
12 1 2 VAL H 1 4 GLY H . . 4.430 4.087 3.557 4.517 0.087 16 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 2 VAL QG . . 3.220 2.249 2.073 2.521 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL HA 1 3 VAL H . . 2.590 2.348 2.075 2.640 0.050 10 0 "[ . 1 . 2]" 1
15 1 2 VAL HA 1 4 GLY H . . 4.740 4.467 4.006 4.818 0.078 19 0 "[ . 1 . 2]" 1
16 1 2 VAL HB 1 7 GLY HA2 . . 5.040 4.440 2.416 5.113 0.073 3 0 "[ . 1 . 2]" 1
17 1 2 VAL QG 1 3 VAL H . . 3.680 2.406 1.964 3.088 . 0 0 "[ . 1 . 2]" 1
18 1 2 VAL QG 1 5 GLY H . . 5.110 2.887 1.812 4.428 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL QG 1 5 GLY QA . . 4.250 2.885 2.039 4.120 . 0 0 "[ . 1 . 2]" 1
20 1 2 VAL QG 1 6 LEU H . . 5.070 2.198 1.685 3.247 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL QG 1 6 LEU QB . . 3.860 2.158 1.747 2.694 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL QG 1 6 LEU QD . . 3.110 2.948 2.322 3.140 0.030 5 0 "[ . 1 . 2]" 1
23 1 2 VAL QG 1 7 GLY HA3 . . 5.490 3.766 3.145 4.460 . 0 0 "[ . 1 . 2]" 1
24 1 2 VAL QG 1 8 GLY H . . 4.100 2.806 1.760 3.983 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL H 1 3 VAL HB . . 3.080 2.715 1.986 3.167 0.087 3 0 "[ . 1 . 2]" 1
26 1 3 VAL H 1 3 VAL QG . . 3.250 1.975 1.684 2.418 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL H 1 10 MET HA . . 5.500 5.163 4.161 5.576 0.076 11 0 "[ . 1 . 2]" 1
28 1 3 VAL HA 1 3 VAL QG . . 3.060 2.183 2.037 2.338 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 1 4 GLY H . . 2.620 2.535 2.181 2.709 0.089 15 0 "[ . 1 . 2]" 1
30 1 3 VAL HB 1 4 GLY H . . 4.440 4.460 4.328 4.521 0.081 6 0 "[ . 1 . 2]" 1
31 1 3 VAL HB 1 6 LEU QB . . 4.830 4.391 3.351 4.771 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL HB 1 6 LEU QD . . 4.420 3.156 1.953 4.399 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL HB 1 11 LEU H . . 4.420 4.474 4.399 4.506 0.086 14 0 "[ . 1 . 2]" 1
34 1 3 VAL QG 1 4 GLY H . . 4.290 3.686 3.521 3.836 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL QG 1 4 GLY QA . . 5.400 3.916 3.505 4.383 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL QG 1 6 LEU QB . . 3.790 2.898 2.177 3.613 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL QG 1 6 LEU QD . . 3.270 2.195 1.815 2.879 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL QG 1 6 LEU HG . . 4.010 2.941 2.177 4.057 0.047 15 0 "[ . 1 . 2]" 1
39 1 3 VAL QG 1 10 MET HA . . 5.100 2.951 2.161 4.992 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 11 LEU H . . 4.860 2.667 2.059 4.307 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL QG 1 11 LEU HB3 . . 3.820 2.103 1.938 2.827 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL QG 1 11 LEU QD . . 3.800 2.329 1.981 2.754 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL QG 1 11 LEU HG . . 3.920 2.977 2.273 3.616 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLY H 1 4 GLY QA . . 2.750 2.277 2.116 2.414 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLY H 1 5 GLY H . . 3.520 3.385 2.400 3.613 0.093 13 0 "[ . 1 . 2]" 1
46 1 5 GLY H 1 5 GLY QA . . 2.520 2.466 2.187 2.554 0.034 5 0 "[ . 1 . 2]" 1
47 1 5 GLY H 1 6 LEU QB . . 5.310 3.864 3.303 4.856 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLY QA 1 6 LEU H . . 2.850 2.816 2.289 2.943 0.093 13 0 "[ . 1 . 2]" 1
49 1 6 LEU H 1 6 LEU QB . . 2.920 2.205 2.059 2.405 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU H 1 6 LEU QD . . 4.490 2.423 1.931 3.762 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU H 1 6 LEU HG . . 3.800 3.593 2.469 3.887 0.087 20 0 "[ . 1 . 2]" 1
52 1 6 LEU H 1 7 GLY H . . 3.270 2.884 2.106 3.307 0.037 3 0 "[ . 1 . 2]" 1
53 1 6 LEU H 1 7 GLY HA2 . . 5.240 4.992 4.012 5.312 0.072 16 0 "[ . 1 . 2]" 1
54 1 6 LEU H 1 9 TYR H . . 5.380 5.325 4.993 5.464 0.084 16 0 "[ . 1 . 2]" 1
55 1 6 LEU HA 1 6 LEU QD . . 3.090 2.113 1.948 2.789 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU HA 1 6 LEU HG . . 4.050 3.354 2.197 3.781 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU HA 1 7 GLY HA3 . . 4.710 4.614 4.540 4.770 0.060 20 0 "[ . 1 . 2]" 1
58 1 6 LEU HA 1 8 GLY H . . 4.950 4.856 4.136 5.039 0.089 2 0 "[ . 1 . 2]" 1
59 1 6 LEU HA 1 9 TYR H . . 5.030 4.858 4.218 5.106 0.076 7 0 "[ . 1 . 2]" 1
60 1 6 LEU HA 1 9 TYR QD . . 3.870 3.368 2.894 3.929 0.059 15 0 "[ . 1 . 2]" 1
61 1 6 LEU HA 1 9 TYR QE . . 4.510 4.430 2.913 4.610 0.100 15 0 "[ . 1 . 2]" 1
62 1 6 LEU QB 1 7 GLY H . . 4.060 2.497 1.780 3.210 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU QB 1 7 GLY HA3 . . 4.910 4.322 4.071 4.524 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QB 1 9 TYR H . . 4.950 2.366 1.939 2.827 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QB 1 9 TYR HB2 . . 4.570 2.271 2.073 3.453 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QB 1 9 TYR QD . . 4.910 2.199 2.012 2.976 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU QD 1 7 GLY H . . 4.800 3.943 3.525 4.410 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU QD 1 9 TYR H . . 5.460 3.717 3.189 4.069 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QD 1 9 TYR HB2 . . 4.970 2.108 1.926 2.223 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU QD 1 9 TYR HB3 . . 4.980 3.029 2.687 3.698 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU QD 1 9 TYR QD . . 4.340 2.735 1.989 3.228 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU QD 1 9 TYR QE . . 4.130 4.035 3.371 4.177 0.047 20 0 "[ . 1 . 2]" 1
73 1 6 LEU QD 1 11 LEU HA . . 5.200 4.048 3.234 4.639 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU QD 1 11 LEU HB2 . . 3.400 2.973 1.948 3.409 0.009 6 0 "[ . 1 . 2]" 1
75 1 6 LEU QD 1 11 LEU HG . . 4.240 3.987 3.448 4.181 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU QD 1 43 TYR QD . . 4.580 2.372 1.893 2.654 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU QD 1 43 TYR QE . . 3.490 2.417 2.050 2.844 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU QD 1 44 TYR H . . 4.910 4.019 3.071 4.432 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU QD 1 63 ILE MG . . 4.300 2.516 2.040 3.231 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU QD 1 67 GLN HB3 . . 4.780 4.058 3.679 4.490 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QD 1 67 GLN QE . . 5.470 3.419 2.596 3.985 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU QD 1 67 GLN QG . . 5.010 2.328 1.927 3.091 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU HG 1 7 GLY H . . 5.300 4.807 4.046 5.122 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLY H 1 7 GLY HA2 . . 2.900 2.347 2.273 2.678 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLY H 1 8 GLY H . . 3.690 2.533 1.745 3.758 0.068 4 0 "[ . 1 . 2]" 1
86 1 7 GLY H 1 9 TYR H . . 4.990 3.796 2.504 4.502 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLY H 1 9 TYR QD . . 5.500 3.961 3.439 4.382 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLY H 1 9 TYR QE . . 5.500 5.144 4.135 5.573 0.073 9 0 "[ . 1 . 2]" 1
89 1 7 GLY HA2 1 8 GLY H . . 3.310 2.977 2.563 3.396 0.086 1 0 "[ . 1 . 2]" 1
90 1 7 GLY HA3 1 8 GLY H . . 3.550 3.404 2.217 3.605 0.055 9 0 "[ . 1 . 2]" 1
91 1 7 GLY HA3 1 9 TYR H . . 4.980 4.840 4.346 5.064 0.084 14 0 "[ . 1 . 2]" 1
92 1 7 GLY HA3 1 9 TYR QD . . 4.150 4.045 3.577 4.247 0.097 6 0 "[ . 1 . 2]" 1
93 1 7 GLY HA3 1 9 TYR QE . . 4.840 3.765 2.788 4.624 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLY H 1 8 GLY HA3 . . 2.870 2.953 2.465 3.017 0.147 2 0 "[ . 1 . 2]" 1
95 1 8 GLY H 1 9 TYR H . . 3.360 2.120 1.727 2.514 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLY H 1 9 TYR HA . . 5.500 4.785 4.351 5.029 . 0 0 "[ . 1 . 2]" 1
97 1 8 GLY H 1 9 TYR HB2 . . 5.380 4.400 3.802 5.343 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLY H 1 9 TYR QD . . 4.290 3.189 2.088 4.037 . 0 0 "[ . 1 . 2]" 1
99 1 8 GLY HA2 1 9 TYR H . . 3.630 3.116 2.661 3.534 . 0 0 "[ . 1 . 2]" 1
100 1 8 GLY HA3 1 9 TYR H . . 3.510 3.451 2.984 3.601 0.091 7 0 "[ . 1 . 2]" 1
101 1 8 GLY HA3 1 9 TYR QD . . 5.220 4.187 3.312 5.014 . 0 0 "[ . 1 . 2]" 1
102 1 9 TYR H 1 9 TYR HB2 . . 3.270 2.715 2.401 3.343 0.073 3 0 "[ . 1 . 2]" 1
103 1 9 TYR H 1 9 TYR QD . . 3.000 2.514 1.660 3.093 0.093 3 0 "[ . 1 . 2]" 1
104 1 9 TYR H 1 9 TYR QE . . 4.980 4.416 3.767 4.902 . 0 0 "[ . 1 . 2]" 1
105 1 9 TYR H 1 10 MET H . . 4.700 4.417 4.254 4.640 . 0 0 "[ . 1 . 2]" 1
106 1 9 TYR H 1 63 ILE MG . . 5.500 5.403 4.931 5.605 0.105 20 0 "[ . 1 . 2]" 1
107 1 9 TYR HA 1 9 TYR QD . . 3.300 3.120 2.775 3.355 0.055 9 0 "[ . 1 . 2]" 1
108 1 9 TYR HA 1 10 MET H . . 3.130 2.334 2.155 2.545 . 0 0 "[ . 1 . 2]" 1
109 1 9 TYR HA 1 45 ARG HA . . 3.860 3.130 2.363 3.716 . 0 0 "[ . 1 . 2]" 1
110 1 9 TYR HA 1 45 ARG HG2 . . 4.460 3.562 2.877 4.773 0.313 12 0 "[ . 1 . 2]" 1
111 1 9 TYR HA 1 45 ARG HG3 . . 4.710 3.788 2.900 4.768 0.058 1 0 "[ . 1 . 2]" 1
112 1 9 TYR HB2 1 10 MET H . . 4.640 3.585 3.020 3.893 . 0 0 "[ . 1 . 2]" 1
113 1 9 TYR HB3 1 10 MET H . . 4.120 2.697 2.072 3.445 . 0 0 "[ . 1 . 2]" 1
114 1 9 TYR HB3 1 63 ILE MG . . 5.110 3.531 3.073 4.060 . 0 0 "[ . 1 . 2]" 1
115 1 9 TYR QD 1 10 MET H . . 4.870 4.153 3.611 4.769 . 0 0 "[ . 1 . 2]" 1
116 1 9 TYR QD 1 44 TYR H . . 3.660 3.732 3.442 3.774 0.114 20 0 "[ . 1 . 2]" 1
117 1 9 TYR QD 1 45 ARG HG2 . . 4.480 3.363 2.185 4.389 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR QD 1 45 ARG HG3 . . 3.960 2.501 2.111 3.391 . 0 0 "[ . 1 . 2]" 1
119 1 9 TYR QD 1 63 ILE MD . . 3.920 3.892 3.604 4.031 0.111 1 0 "[ . 1 . 2]" 1
120 1 9 TYR QD 1 63 ILE QG . . 3.940 3.259 2.784 3.781 . 0 0 "[ . 1 . 2]" 1
121 1 9 TYR QD 1 63 ILE MG . . 3.350 2.844 2.199 3.187 . 0 0 "[ . 1 . 2]" 1
122 1 9 TYR QE 1 45 ARG HD2 . . 4.210 2.785 2.049 4.049 . 0 0 "[ . 1 . 2]" 1
123 1 9 TYR QE 1 45 ARG HG2 . . 4.490 3.764 2.849 4.503 0.013 19 0 "[ . 1 . 2]" 1
124 1 9 TYR QE 1 45 ARG HG3 . . 3.850 2.887 2.326 3.937 0.087 3 0 "[ . 1 . 2]" 1
125 1 9 TYR QE 1 63 ILE HA . . 5.430 5.316 4.430 5.515 0.085 19 0 "[ . 1 . 2]" 1
126 1 9 TYR QE 1 63 ILE HB . . 4.980 4.423 3.910 4.927 . 0 0 "[ . 1 . 2]" 1
127 1 9 TYR QE 1 63 ILE MD . . 3.500 2.676 2.323 2.938 . 0 0 "[ . 1 . 2]" 1
128 1 9 TYR QE 1 63 ILE QG . . 3.560 2.353 2.082 3.647 0.087 3 0 "[ . 1 . 2]" 1
129 1 9 TYR QE 1 63 ILE MG . . 3.380 3.166 2.184 3.476 0.096 2 0 "[ . 1 . 2]" 1
130 1 10 MET H 1 10 MET HB3 . . 4.050 3.528 3.295 3.685 . 0 0 "[ . 1 . 2]" 1
131 1 10 MET H 1 10 MET ME . . 4.500 2.983 1.980 4.189 . 0 0 "[ . 1 . 2]" 1
132 1 10 MET H 1 10 MET HG2 . . 4.040 3.896 1.936 4.124 0.084 20 0 "[ . 1 . 2]" 1
133 1 10 MET H 1 10 MET HG3 . . 3.940 3.280 2.757 4.001 0.061 10 0 "[ . 1 . 2]" 1
134 1 10 MET H 1 11 LEU H . . 5.100 4.465 4.287 4.526 . 0 0 "[ . 1 . 2]" 1
135 1 10 MET H 1 44 TYR H . . 4.110 2.993 2.774 3.192 . 0 0 "[ . 1 . 2]" 1
136 1 10 MET H 1 44 TYR QD . . 4.850 4.226 3.955 4.804 . 0 0 "[ . 1 . 2]" 1
137 1 10 MET H 1 45 ARG HA . . 5.070 3.541 3.228 3.993 . 0 0 "[ . 1 . 2]" 1
138 1 10 MET HA 1 10 MET ME . . 4.570 4.214 3.791 4.608 0.038 12 0 "[ . 1 . 2]" 1
139 1 10 MET HA 1 10 MET HG2 . . 3.720 3.142 2.501 3.725 0.005 2 0 "[ . 1 . 2]" 1
140 1 10 MET HA 1 10 MET HG3 . . 3.620 2.714 2.397 3.798 0.178 18 0 "[ . 1 . 2]" 1
141 1 10 MET HA 1 11 LEU H . . 2.960 2.320 2.076 2.612 . 0 0 "[ . 1 . 2]" 1
142 1 10 MET HB2 1 10 MET ME . . 3.330 2.369 2.112 3.371 0.041 14 0 "[ . 1 . 2]" 1
143 1 10 MET HB2 1 11 LEU H . . 3.900 3.747 2.702 4.102 0.202 17 0 "[ . 1 . 2]" 1
144 1 10 MET HB2 1 44 TYR QE . . 3.730 3.029 2.696 3.820 0.090 14 0 "[ . 1 . 2]" 1
145 1 10 MET HB3 1 10 MET ME . . 3.960 3.317 2.214 3.766 . 0 0 "[ . 1 . 2]" 1
146 1 10 MET HB3 1 11 LEU H . . 4.460 2.769 2.350 3.841 . 0 0 "[ . 1 . 2]" 1
147 1 10 MET HB3 1 44 TYR QE . . 5.260 3.557 3.030 4.870 . 0 0 "[ . 1 . 2]" 1
148 1 10 MET ME 1 10 MET HG2 . . 3.280 2.783 2.093 3.371 0.091 16 0 "[ . 1 . 2]" 1
149 1 10 MET ME 1 10 MET HG3 . . 3.130 2.813 2.298 3.373 0.243 18 0 "[ . 1 . 2]" 1
150 1 10 MET ME 1 11 LEU H . . 5.500 5.417 5.021 5.601 0.101 14 0 "[ . 1 . 2]" 1
151 1 10 MET ME 1 44 TYR QD . . 4.710 2.792 2.276 4.279 . 0 0 "[ . 1 . 2]" 1
152 1 10 MET ME 1 44 TYR QE . . 3.950 2.608 2.118 4.036 0.086 18 0 "[ . 1 . 2]" 1
153 1 10 MET ME 1 46 PRO HA . . 3.950 2.835 2.157 3.272 . 0 0 "[ . 1 . 2]" 1
154 1 10 MET ME 1 46 PRO HD2 . . 4.910 3.704 3.510 4.495 . 0 0 "[ . 1 . 2]" 1
155 1 10 MET ME 1 46 PRO HD3 . . 4.040 2.289 2.060 3.235 . 0 0 "[ . 1 . 2]" 1
156 1 10 MET ME 1 46 PRO HG3 . . 2.890 2.889 2.544 2.979 0.089 20 0 "[ . 1 . 2]" 1
157 1 10 MET ME 1 47 VAL H . . 5.000 4.588 3.845 5.102 0.102 14 0 "[ . 1 . 2]" 1
158 1 10 MET HG2 1 44 TYR QE . . 5.310 4.059 2.655 4.903 . 0 0 "[ . 1 . 2]" 1
159 1 10 MET HG3 1 11 LEU H . . 4.690 4.336 3.679 4.752 0.062 20 0 "[ . 1 . 2]" 1
160 1 10 MET HG3 1 44 TYR QE . . 5.290 4.494 2.737 5.193 . 0 0 "[ . 1 . 2]" 1
161 1 11 LEU H 1 11 LEU HB2 . . 3.480 3.017 2.487 3.416 . 0 0 "[ . 1 . 2]" 1
162 1 11 LEU H 1 11 LEU HB3 . . 3.170 2.491 2.278 2.758 . 0 0 "[ . 1 . 2]" 1
163 1 11 LEU H 1 11 LEU QD . . 4.490 3.732 3.569 3.978 . 0 0 "[ . 1 . 2]" 1
164 1 11 LEU H 1 11 LEU HG . . 4.810 4.659 4.041 4.876 0.066 19 0 "[ . 1 . 2]" 1
165 1 11 LEU H 1 12 GLY H . . 5.150 4.311 4.151 4.540 . 0 0 "[ . 1 . 2]" 1
166 1 11 LEU H 1 43 TYR HA . . 5.500 4.821 4.587 5.053 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU H 1 43 TYR QD . . 5.500 4.302 3.560 4.776 . 0 0 "[ . 1 . 2]" 1
168 1 11 LEU HA 1 11 LEU QD . . 3.430 2.332 2.101 2.944 . 0 0 "[ . 1 . 2]" 1
169 1 11 LEU HA 1 12 GLY H . . 3.470 2.203 2.042 2.354 . 0 0 "[ . 1 . 2]" 1
170 1 11 LEU HA 1 43 TYR HA . . 3.810 2.303 1.947 2.677 . 0 0 "[ . 1 . 2]" 1
171 1 11 LEU HA 1 43 TYR QD . . 4.020 2.366 2.055 2.871 . 0 0 "[ . 1 . 2]" 1
172 1 11 LEU HA 1 43 TYR QE . . 4.250 4.017 3.722 4.332 0.082 19 0 "[ . 1 . 2]" 1
173 1 11 LEU HA 1 44 TYR H . . 4.370 4.033 3.747 4.436 0.066 20 0 "[ . 1 . 2]" 1
174 1 11 LEU HB2 1 12 GLY H . . 5.500 4.312 4.085 4.431 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU HB2 1 43 TYR QD . . 4.180 2.328 2.128 2.779 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU HB2 1 43 TYR QE . . 4.910 2.641 2.221 2.983 . 0 0 "[ . 1 . 2]" 1
177 1 11 LEU HB3 1 11 LEU QD . . 3.250 2.177 2.106 2.388 . 0 0 "[ . 1 . 2]" 1
178 1 11 LEU HB3 1 12 GLY H . . 5.500 4.281 3.887 4.446 . 0 0 "[ . 1 . 2]" 1
179 1 11 LEU HB3 1 43 TYR QE . . 4.000 4.035 3.756 4.303 0.303 1 0 "[ . 1 . 2]" 1
180 1 11 LEU QD 1 12 GLY H . . 3.960 2.233 1.886 2.437 . 0 0 "[ . 1 . 2]" 1
181 1 11 LEU QD 1 41 GLN HB2 . . 4.070 2.770 2.161 3.803 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU QD 1 41 GLN HE21 . . 4.380 2.230 1.879 2.681 . 0 0 "[ . 1 . 2]" 1
183 1 11 LEU QD 1 41 GLN HE22 . . 4.050 2.446 2.037 3.360 . 0 0 "[ . 1 . 2]" 1
184 1 11 LEU QD 1 41 GLN HG2 . . 4.630 3.417 3.167 3.808 . 0 0 "[ . 1 . 2]" 1
185 1 11 LEU QD 1 41 GLN HG3 . . 4.180 2.171 1.906 2.812 . 0 0 "[ . 1 . 2]" 1
186 1 11 LEU QD 1 42 VAL H . . 5.040 3.393 2.675 4.395 . 0 0 "[ . 1 . 2]" 1
187 1 11 LEU QD 1 43 TYR HA . . 4.690 3.283 2.480 4.504 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU QD 1 43 TYR QD . . 4.140 2.661 2.036 3.432 . 0 0 "[ . 1 . 2]" 1
189 1 11 LEU QD 1 43 TYR QE . . 3.370 2.465 1.864 3.091 . 0 0 "[ . 1 . 2]" 1
190 1 11 LEU QD 1 44 TYR QD . . 5.500 4.869 4.327 5.403 . 0 0 "[ . 1 . 2]" 1
191 1 11 LEU QD 1 44 TYR QE . . 4.810 4.493 4.079 4.768 . 0 0 "[ . 1 . 2]" 1
192 1 11 LEU HG 1 12 GLY H . . 5.500 4.269 3.282 4.941 . 0 0 "[ . 1 . 2]" 1
193 1 11 LEU HG 1 41 GLN HE21 . . 4.840 4.242 3.079 4.921 0.081 4 0 "[ . 1 . 2]" 1
194 1 11 LEU HG 1 41 GLN HE22 . . 4.580 4.516 3.852 4.707 0.127 16 0 "[ . 1 . 2]" 1
195 1 11 LEU HG 1 41 GLN HG2 . . 5.500 5.453 4.679 5.584 0.084 5 0 "[ . 1 . 2]" 1
196 1 11 LEU HG 1 41 GLN HG3 . . 5.500 4.018 3.168 4.379 . 0 0 "[ . 1 . 2]" 1
197 1 11 LEU HG 1 43 TYR QE . . 4.810 2.521 2.004 4.412 . 0 0 "[ . 1 . 2]" 1
198 1 12 GLY H 1 13 SER H . . 4.680 4.284 3.446 4.669 . 0 0 "[ . 1 . 2]" 1
199 1 12 GLY H 1 42 VAL H . . 4.840 3.728 3.351 4.511 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLY H 1 42 VAL QG . . 5.040 4.000 3.084 4.618 . 0 0 "[ . 1 . 2]" 1
201 1 12 GLY H 1 43 TYR HA . . 4.770 3.213 2.789 3.914 . 0 0 "[ . 1 . 2]" 1
202 1 12 GLY H 1 44 TYR QD . . 4.290 3.640 3.116 4.013 . 0 0 "[ . 1 . 2]" 1
203 1 12 GLY H 1 44 TYR QE . . 3.560 2.906 2.430 3.245 . 0 0 "[ . 1 . 2]" 1
204 1 12 GLY HA2 1 44 TYR QD . . 4.720 4.615 3.813 4.821 0.101 16 0 "[ . 1 . 2]" 1
205 1 12 GLY HA2 1 44 TYR QE . . 3.270 2.454 2.125 2.639 . 0 0 "[ . 1 . 2]" 1
206 1 12 GLY HA3 1 13 SER H . . 3.500 2.507 2.176 3.571 0.071 6 0 "[ . 1 . 2]" 1
207 1 12 GLY HA3 1 42 VAL H . . 4.850 4.164 3.305 4.927 0.077 19 0 "[ . 1 . 2]" 1
208 1 12 GLY HA3 1 42 VAL QG . . 5.500 3.946 2.883 4.703 . 0 0 "[ . 1 . 2]" 1
209 1 12 GLY HA3 1 44 TYR QD . . 4.840 3.917 3.372 4.225 . 0 0 "[ . 1 . 2]" 1
210 1 12 GLY HA3 1 44 TYR QE . . 3.450 2.299 2.030 3.011 . 0 0 "[ . 1 . 2]" 1
211 1 13 SER H 1 13 SER HB2 . . 3.420 3.054 2.433 3.625 0.205 14 0 "[ . 1 . 2]" 1
212 1 13 SER H 1 13 SER HB3 . . 3.550 3.430 2.852 3.641 0.091 16 0 "[ . 1 . 2]" 1
213 1 13 SER H 1 14 ALA H . . 4.730 4.488 4.326 4.689 . 0 0 "[ . 1 . 2]" 1
214 1 13 SER H 1 14 ALA MB . . 5.500 5.575 5.302 5.625 0.125 6 0 "[ . 1 . 2]" 1
215 1 13 SER H 1 15 MET ME . . 5.500 5.058 4.297 5.598 0.098 6 0 "[ . 1 . 2]" 1
216 1 13 SER H 1 44 TYR QE . . 4.230 4.261 3.919 4.329 0.099 20 0 "[ . 1 . 2]" 1
217 1 13 SER H 1 98 GLN HE21 . . 5.500 4.281 2.875 5.572 0.072 6 0 "[ . 1 . 2]" 1
218 1 13 SER H 1 98 GLN HE22 . . 4.630 3.188 2.239 4.714 0.084 6 0 "[ . 1 . 2]" 1
219 1 13 SER HA 1 13 SER HB3 . . 3.050 2.309 2.131 2.506 . 0 0 "[ . 1 . 2]" 1
220 1 13 SER HA 1 14 ALA H . . 2.750 2.384 1.986 2.834 0.084 18 0 "[ . 1 . 2]" 1
221 1 13 SER HA 1 14 ALA MB . . 4.120 3.858 3.113 4.210 0.090 4 0 "[ . 1 . 2]" 1
222 1 13 SER HA 1 41 GLN HE21 . . 4.040 3.724 3.245 4.090 0.050 2 0 "[ . 1 . 2]" 1
223 1 13 SER HA 1 41 GLN HE22 . . 4.450 4.172 3.595 4.538 0.088 19 0 "[ . 1 . 2]" 1
224 1 13 SER HB2 1 14 ALA H . . 3.670 3.049 2.186 3.617 . 0 0 "[ . 1 . 2]" 1
225 1 13 SER HB2 1 14 ALA MB . . 4.820 4.533 3.732 4.931 0.111 17 0 "[ . 1 . 2]" 1
226 1 13 SER HB3 1 14 ALA H . . 3.350 2.918 1.964 3.739 0.389 3 0 "[ . 1 . 2]" 1
227 1 13 SER HB3 1 14 ALA MB . . 4.610 4.557 3.788 4.924 0.314 3 0 "[ . 1 . 2]" 1
228 1 14 ALA H 1 14 ALA MB . . 2.820 2.213 1.994 2.586 . 0 0 "[ . 1 . 2]" 1
229 1 14 ALA H 1 15 MET QB . . 5.500 5.208 4.529 5.382 . 0 0 "[ . 1 . 2]" 1
230 1 14 ALA H 1 41 GLN HE21 . . 4.640 3.974 3.346 4.705 0.065 18 0 "[ . 1 . 2]" 1
231 1 14 ALA H 1 41 GLN HE22 . . 5.100 4.198 3.319 5.046 . 0 0 "[ . 1 . 2]" 1
232 1 14 ALA HA 1 15 MET H . . 2.990 2.284 2.132 2.465 . 0 0 "[ . 1 . 2]" 1
233 1 14 ALA HA 1 15 MET HA . . 4.410 4.457 4.383 4.488 0.078 1 0 "[ . 1 . 2]" 1
234 1 14 ALA HA 1 15 MET QB . . 4.970 4.284 3.420 4.550 . 0 0 "[ . 1 . 2]" 1
235 1 14 ALA HA 1 15 MET HG2 . . 4.920 3.885 3.263 4.971 0.051 14 0 "[ . 1 . 2]" 1
236 1 14 ALA HA 1 15 MET HG3 . . 4.930 4.461 3.343 4.967 0.037 4 0 "[ . 1 . 2]" 1
237 1 14 ALA HA 1 40 ASN HD21 . . 5.500 3.943 2.623 4.998 . 0 0 "[ . 1 . 2]" 1
238 1 14 ALA HA 1 40 ASN HD22 . . 5.500 4.474 3.318 5.381 . 0 0 "[ . 1 . 2]" 1
239 1 14 ALA HA 1 41 GLN HA . . 4.430 3.113 2.573 3.827 . 0 0 "[ . 1 . 2]" 1
240 1 14 ALA HA 1 41 GLN HB2 . . 4.550 3.055 2.342 3.425 . 0 0 "[ . 1 . 2]" 1
241 1 14 ALA HA 1 41 GLN HE21 . . 4.360 3.587 2.946 4.139 . 0 0 "[ . 1 . 2]" 1
242 1 14 ALA HA 1 41 GLN HE22 . . 4.490 4.403 3.285 4.578 0.088 4 0 "[ . 1 . 2]" 1
243 1 14 ALA HA 1 41 GLN HG3 . . 4.850 4.859 4.229 5.079 0.229 5 0 "[ . 1 . 2]" 1
244 1 14 ALA HA 1 42 VAL H . . 4.940 4.797 4.012 5.019 0.079 16 0 "[ . 1 . 2]" 1
245 1 14 ALA MB 1 15 MET H . . 3.860 2.861 2.476 3.327 . 0 0 "[ . 1 . 2]" 1
246 1 14 ALA MB 1 15 MET HA . . 4.420 4.072 3.567 4.395 . 0 0 "[ . 1 . 2]" 1
247 1 14 ALA MB 1 15 MET HG3 . . 5.500 5.202 4.418 5.581 0.081 9 0 "[ . 1 . 2]" 1
248 1 14 ALA MB 1 40 ASN QB . . 5.180 3.332 2.376 4.399 . 0 0 "[ . 1 . 2]" 1
249 1 14 ALA MB 1 40 ASN HD21 . . 3.960 2.406 1.902 3.163 . 0 0 "[ . 1 . 2]" 1
250 1 14 ALA MB 1 40 ASN HD22 . . 3.770 2.728 1.797 3.827 0.057 16 0 "[ . 1 . 2]" 1
251 1 14 ALA MB 1 41 GLN HA . . 4.790 4.359 3.831 4.886 0.096 8 0 "[ . 1 . 2]" 1
252 1 14 ALA MB 1 41 GLN HB3 . . 4.410 2.697 2.214 3.146 . 0 0 "[ . 1 . 2]" 1
253 1 14 ALA MB 1 41 GLN HE21 . . 4.830 3.203 2.712 4.077 . 0 0 "[ . 1 . 2]" 1
254 1 14 ALA MB 1 41 GLN HE22 . . 5.250 2.989 2.316 4.010 . 0 0 "[ . 1 . 2]" 1
255 1 14 ALA MB 1 41 GLN HG2 . . 5.500 4.171 3.476 5.061 . 0 0 "[ . 1 . 2]" 1
256 1 15 MET H 1 15 MET QB . . 3.830 3.102 2.383 3.360 . 0 0 "[ . 1 . 2]" 1
257 1 15 MET H 1 15 MET HG2 . . 4.050 2.937 2.340 4.130 0.080 12 0 "[ . 1 . 2]" 1
258 1 15 MET H 1 15 MET HG3 . . 4.020 2.946 2.337 4.026 0.006 14 0 "[ . 1 . 2]" 1
259 1 15 MET H 1 16 SER H . . 5.070 4.358 4.236 4.480 . 0 0 "[ . 1 . 2]" 1
260 1 15 MET H 1 40 ASN QB . . 4.440 3.778 3.037 4.394 . 0 0 "[ . 1 . 2]" 1
261 1 15 MET H 1 40 ASN HD21 . . 5.190 3.490 2.334 4.531 . 0 0 "[ . 1 . 2]" 1
262 1 15 MET H 1 40 ASN HD22 . . 5.230 4.144 3.004 5.281 0.051 9 0 "[ . 1 . 2]" 1
263 1 15 MET H 1 41 GLN HA . . 5.040 3.618 3.095 3.974 . 0 0 "[ . 1 . 2]" 1
264 1 15 MET HA 1 15 MET HG2 . . 4.060 3.580 2.098 4.042 . 0 0 "[ . 1 . 2]" 1
265 1 15 MET HA 1 15 MET HG3 . . 4.040 3.671 3.041 3.867 . 0 0 "[ . 1 . 2]" 1
266 1 15 MET HA 1 16 SER H . . 2.840 2.534 2.341 2.814 . 0 0 "[ . 1 . 2]" 1
267 1 15 MET HA 1 16 SER HA . . 4.480 4.347 3.822 4.536 0.056 18 0 "[ . 1 . 2]" 1
268 1 15 MET QB 1 15 MET ME . . 4.280 3.076 2.438 3.649 . 0 0 "[ . 1 . 2]" 1
269 1 15 MET QB 1 16 SER H . . 3.500 2.187 2.018 2.320 . 0 0 "[ . 1 . 2]" 1
270 1 15 MET ME 1 15 MET HG2 . . 3.420 2.460 2.062 3.407 . 0 0 "[ . 1 . 2]" 1
271 1 15 MET ME 1 15 MET HG3 . . 3.110 2.917 2.333 3.378 0.268 4 0 "[ . 1 . 2]" 1
272 1 15 MET ME 1 41 GLN HA . . 3.870 3.898 3.692 3.977 0.107 2 0 "[ . 1 . 2]" 1
273 1 15 MET ME 1 42 VAL H . . 5.310 4.380 3.792 4.864 . 0 0 "[ . 1 . 2]" 1
274 1 15 MET ME 1 42 VAL QG . . 3.640 2.950 2.056 3.422 . 0 0 "[ . 1 . 2]" 1
275 1 15 MET ME 1 94 MET HA . . 3.660 2.722 1.991 3.224 . 0 0 "[ . 1 . 2]" 1
276 1 15 MET ME 1 94 MET HB3 . . 2.830 2.257 2.011 2.551 . 0 0 "[ . 1 . 2]" 1
277 1 15 MET ME 1 94 MET ME . . 3.950 3.875 3.349 4.074 0.124 7 0 "[ . 1 . 2]" 1
278 1 15 MET ME 1 95 CYS H . . 5.040 4.707 4.449 4.957 . 0 0 "[ . 1 . 2]" 1
279 1 15 MET ME 1 95 CYS HA . . 4.360 4.285 3.969 4.460 0.100 16 0 "[ . 1 . 2]" 1
280 1 15 MET ME 1 97 THR H . . 4.340 4.367 4.156 4.444 0.104 6 0 "[ . 1 . 2]" 1
281 1 15 MET ME 1 97 THR HB . . 3.360 3.370 2.845 3.510 0.150 15 0 "[ . 1 . 2]" 1
282 1 15 MET ME 1 97 THR MG . . 3.140 2.091 1.664 2.565 . 0 0 "[ . 1 . 2]" 1
283 1 15 MET ME 1 98 GLN H . . 3.480 3.308 2.987 3.572 0.092 8 0 "[ . 1 . 2]" 1
284 1 15 MET ME 1 98 GLN HA . . 3.610 3.661 3.375 3.734 0.124 16 0 "[ . 1 . 2]" 1
285 1 15 MET ME 1 98 GLN HE22 . . 5.450 4.273 2.942 5.470 0.020 20 0 "[ . 1 . 2]" 1
286 1 15 MET ME 1 101 LYS QD . . 4.180 3.544 2.840 4.185 0.005 11 0 "[ . 1 . 2]" 1
287 1 15 MET ME 1 101 LYS QE . . 4.130 3.742 2.546 4.222 0.092 14 0 "[ . 1 . 2]" 1
288 1 15 MET HG2 1 16 SER H . . 4.760 4.549 3.451 4.828 0.068 2 0 "[ . 1 . 2]" 1
289 1 15 MET HG2 1 97 THR MG . . 5.500 4.824 4.212 5.323 . 0 0 "[ . 1 . 2]" 1
290 1 15 MET HG3 1 16 SER H . . 4.760 3.887 3.187 4.842 0.082 18 0 "[ . 1 . 2]" 1
291 1 15 MET HG3 1 41 GLN HA . . 5.350 4.284 3.319 4.817 . 0 0 "[ . 1 . 2]" 1
292 1 16 SER H 1 16 SER HB2 . . 3.190 2.569 1.976 3.259 0.069 11 0 "[ . 1 . 2]" 1
293 1 16 SER H 1 16 SER HB3 . . 3.100 2.897 2.433 3.293 0.193 6 0 "[ . 1 . 2]" 1
294 1 16 SER H 1 17 ARG H . . 4.770 4.533 4.345 4.658 . 0 0 "[ . 1 . 2]" 1
295 1 16 SER HA 1 17 ARG H . . 2.900 2.351 2.076 2.650 . 0 0 "[ . 1 . 2]" 1
296 1 16 SER HA 1 17 ARG QD . . 5.270 4.068 2.984 5.124 . 0 0 "[ . 1 . 2]" 1
297 1 16 SER HB2 1 17 ARG H . . 3.820 3.690 2.798 3.925 0.105 17 0 "[ . 1 . 2]" 1
298 1 16 SER HB3 1 17 ARG H . . 3.840 3.160 2.575 3.792 . 0 0 "[ . 1 . 2]" 1
299 1 17 ARG H 1 17 ARG HB2 . . 3.700 3.674 3.558 3.829 0.129 1 0 "[ . 1 . 2]" 1
300 1 17 ARG H 1 17 ARG HB3 . . 3.900 2.929 2.486 3.385 . 0 0 "[ . 1 . 2]" 1
301 1 17 ARG H 1 17 ARG QD . . 5.130 2.483 1.760 3.391 . 0 0 "[ . 1 . 2]" 1
302 1 17 ARG H 1 17 ARG QG . . 3.800 2.478 1.847 3.192 . 0 0 "[ . 1 . 2]" 1
303 1 17 ARG H 1 18 PRO HD2 . . 5.260 4.932 4.824 5.253 . 0 0 "[ . 1 . 2]" 1
304 1 17 ARG HA 1 18 PRO HD2 . . 3.690 2.356 2.139 2.685 . 0 0 "[ . 1 . 2]" 1
305 1 17 ARG HA 1 18 PRO HD3 . . 3.610 2.432 2.104 2.660 . 0 0 "[ . 1 . 2]" 1
306 1 17 ARG HA 1 18 PRO QG . . 5.110 4.032 3.928 4.118 . 0 0 "[ . 1 . 2]" 1
307 1 17 ARG HA 1 90 VAL QG . . 5.190 4.386 3.500 4.934 . 0 0 "[ . 1 . 2]" 1
308 1 17 ARG HB3 1 17 ARG QG . . 2.400 2.403 2.124 2.588 0.188 18 0 "[ . 1 . 2]" 1
309 1 17 ARG HB3 1 18 PRO HD3 . . 5.260 4.499 3.998 4.823 . 0 0 "[ . 1 . 2]" 1
310 1 17 ARG QD 1 35 MET ME . . 3.920 2.912 2.142 3.619 . 0 0 "[ . 1 . 2]" 1
311 1 17 ARG HE 1 35 MET ME . . 4.700 3.415 2.113 4.797 0.097 18 0 "[ . 1 . 2]" 1
312 1 17 ARG QG 1 35 MET ME . . 3.120 2.273 1.895 3.112 . 0 0 "[ . 1 . 2]" 1
313 1 18 PRO HA 1 19 MET H . . 2.860 2.565 2.276 2.920 0.060 8 0 "[ . 1 . 2]" 1
314 1 18 PRO HA 1 19 MET QB . . 4.560 4.106 3.974 4.284 . 0 0 "[ . 1 . 2]" 1
315 1 18 PRO HB2 1 19 MET H . . 4.150 2.656 2.223 3.280 . 0 0 "[ . 1 . 2]" 1
316 1 18 PRO HB2 1 20 ILE MD . . 3.620 3.227 2.685 3.693 0.073 18 0 "[ . 1 . 2]" 1
317 1 18 PRO HB2 1 20 ILE HG12 . . 5.040 2.612 2.257 2.947 . 0 0 "[ . 1 . 2]" 1
318 1 18 PRO HB2 1 20 ILE HG13 . . 5.190 3.377 2.468 3.819 . 0 0 "[ . 1 . 2]" 1
319 1 18 PRO HB2 1 93 GLN HE22 . . 5.380 3.863 2.794 4.964 . 0 0 "[ . 1 . 2]" 1
320 1 18 PRO HB2 1 93 GLN QG . . 5.210 4.315 3.959 5.092 . 0 0 "[ . 1 . 2]" 1
321 1 18 PRO HB3 1 19 MET H . . 4.170 3.569 2.752 3.998 . 0 0 "[ . 1 . 2]" 1
322 1 18 PRO HB3 1 20 ILE MD . . 5.270 4.142 3.450 4.549 . 0 0 "[ . 1 . 2]" 1
323 1 18 PRO HD2 1 90 VAL QG . . 4.880 2.831 2.102 3.338 . 0 0 "[ . 1 . 2]" 1
324 1 18 PRO HD2 1 94 MET HG2 . . 4.870 4.366 3.622 4.964 0.094 18 0 "[ . 1 . 2]" 1
325 1 18 PRO HD2 1 94 MET HG3 . . 5.500 3.984 3.291 4.675 . 0 0 "[ . 1 . 2]" 1
326 1 18 PRO HD3 1 90 VAL QG . . 4.730 3.797 2.792 4.087 . 0 0 "[ . 1 . 2]" 1
327 1 18 PRO HD3 1 94 MET ME . . 4.740 4.148 3.429 4.714 . 0 0 "[ . 1 . 2]" 1
328 1 18 PRO HD3 1 94 MET HG2 . . 5.170 2.837 2.352 3.415 . 0 0 "[ . 1 . 2]" 1
329 1 18 PRO QG 1 19 MET H . . 5.160 4.135 3.738 4.692 . 0 0 "[ . 1 . 2]" 1
330 1 18 PRO QG 1 20 ILE MD . . 3.820 2.361 2.055 2.879 . 0 0 "[ . 1 . 2]" 1
331 1 18 PRO QG 1 20 ILE HG12 . . 5.270 3.029 2.666 3.690 . 0 0 "[ . 1 . 2]" 1
332 1 18 PRO QG 1 20 ILE HG13 . . 5.090 2.635 2.394 3.776 . 0 0 "[ . 1 . 2]" 1
333 1 18 PRO QG 1 90 VAL HA . . 4.280 2.363 2.084 2.884 . 0 0 "[ . 1 . 2]" 1
334 1 18 PRO QG 1 90 VAL QG . . 3.940 2.200 2.042 2.673 . 0 0 "[ . 1 . 2]" 1
335 1 18 PRO QG 1 93 GLN HE22 . . 5.500 4.637 3.632 5.572 0.072 18 0 "[ . 1 . 2]" 1
336 1 18 PRO QG 1 94 MET HG2 . . 3.640 3.674 3.401 3.727 0.087 4 0 "[ . 1 . 2]" 1
337 1 18 PRO QG 1 94 MET HG3 . . 5.100 3.182 2.795 3.777 . 0 0 "[ . 1 . 2]" 1
338 1 19 MET H 1 19 MET QB . . 3.370 2.365 2.128 2.549 . 0 0 "[ . 1 . 2]" 1
339 1 19 MET H 1 19 MET ME . . 4.360 4.456 4.387 4.473 0.113 11 0 "[ . 1 . 2]" 1
340 1 19 MET H 1 19 MET HG2 . . 4.730 4.678 4.416 4.819 0.089 8 0 "[ . 1 . 2]" 1
341 1 19 MET H 1 19 MET HG3 . . 4.510 4.290 4.161 4.374 . 0 0 "[ . 1 . 2]" 1
342 1 19 MET H 1 20 ILE H . . 4.580 3.982 3.403 4.396 . 0 0 "[ . 1 . 2]" 1
343 1 19 MET H 1 20 ILE MD . . 5.500 5.045 4.469 5.583 0.083 9 0 "[ . 1 . 2]" 1
344 1 19 MET H 1 31 TYR QE . . 4.960 4.617 4.182 4.966 0.006 5 0 "[ . 1 . 2]" 1
345 1 19 MET HA 1 19 MET ME . . 3.660 2.106 1.983 2.436 . 0 0 "[ . 1 . 2]" 1
346 1 19 MET HA 1 20 ILE H . . 3.000 2.267 2.201 2.338 . 0 0 "[ . 1 . 2]" 1
347 1 19 MET HA 1 31 TYR QD . . 4.330 3.784 3.179 3.986 . 0 0 "[ . 1 . 2]" 1
348 1 19 MET HA 1 31 TYR QE . . 3.090 2.259 2.140 2.401 . 0 0 "[ . 1 . 2]" 1
349 1 19 MET HA 1 35 MET ME . . 4.090 3.789 3.203 4.183 0.093 6 0 "[ . 1 . 2]" 1
350 1 19 MET QB 1 20 ILE H . . 4.340 4.024 3.853 4.089 . 0 0 "[ . 1 . 2]" 1
351 1 19 MET QB 1 21 HIS HE1 . . 4.200 4.120 3.808 4.276 0.076 14 0 "[ . 1 . 2]" 1
352 1 19 MET QB 1 31 TYR QE . . 4.150 4.233 4.134 4.268 0.118 16 0 "[ . 1 . 2]" 1
353 1 19 MET ME 1 19 MET HG2 . . 3.390 3.339 3.269 3.416 0.026 13 0 "[ . 1 . 2]" 1
354 1 19 MET ME 1 19 MET HG3 . . 3.070 2.273 2.150 2.431 . 0 0 "[ . 1 . 2]" 1
355 1 19 MET ME 1 20 ILE H . . 4.460 2.177 1.625 2.787 . 0 0 "[ . 1 . 2]" 1
356 1 19 MET ME 1 20 ILE HG12 . . 5.250 4.663 4.503 4.922 . 0 0 "[ . 1 . 2]" 1
357 1 19 MET ME 1 20 ILE HG13 . . 5.500 4.381 4.122 4.654 . 0 0 "[ . 1 . 2]" 1
358 1 19 MET ME 1 21 HIS HE1 . . 5.130 4.755 4.128 5.215 0.085 11 0 "[ . 1 . 2]" 1
359 1 19 MET ME 1 22 PHE H . . 4.860 4.937 4.822 4.976 0.116 17 0 "[ . 1 . 2]" 1
360 1 19 MET ME 1 22 PHE QE . . 5.500 4.647 4.276 4.972 . 0 0 "[ . 1 . 2]" 1
361 1 19 MET ME 1 31 TYR QD . . 4.160 2.089 1.986 2.288 . 0 0 "[ . 1 . 2]" 1
362 1 19 MET ME 1 31 TYR QE . . 4.120 2.377 2.176 3.138 . 0 0 "[ . 1 . 2]" 1
363 1 19 MET ME 1 32 ARG HA . . 3.930 3.876 3.670 4.028 0.098 13 0 "[ . 1 . 2]" 1
364 1 19 MET ME 1 32 ARG HD2 . . 4.080 3.257 2.082 4.255 0.175 15 0 "[ . 1 . 2]" 1
365 1 19 MET ME 1 32 ARG HD3 . . 4.180 3.635 2.542 4.271 0.091 14 0 "[ . 1 . 2]" 1
366 1 19 MET ME 1 32 ARG HG2 . . 4.590 2.809 2.115 3.954 . 0 0 "[ . 1 . 2]" 1
367 1 19 MET ME 1 32 ARG HG3 . . 2.940 2.390 2.041 3.706 0.766 11 1 "[ . 1+ . 2]" 1
368 1 19 MET ME 1 35 MET ME . . 3.240 3.346 3.291 3.378 0.138 11 0 "[ . 1 . 2]" 1
369 1 19 MET HG2 1 20 ILE H . . 5.500 5.266 4.695 5.567 0.067 7 0 "[ . 1 . 2]" 1
370 1 19 MET HG2 1 21 HIS HE1 . . 4.110 3.370 2.619 3.902 . 0 0 "[ . 1 . 2]" 1
371 1 19 MET HG3 1 20 ILE H . . 4.760 3.958 3.224 4.386 . 0 0 "[ . 1 . 2]" 1
372 1 19 MET HG3 1 21 HIS HD2 . . 4.770 4.787 4.579 4.855 0.085 16 0 "[ . 1 . 2]" 1
373 1 19 MET HG3 1 21 HIS HE1 . . 4.430 3.257 2.588 3.714 . 0 0 "[ . 1 . 2]" 1
374 1 20 ILE H 1 20 ILE HB . . 3.640 2.772 2.599 2.899 . 0 0 "[ . 1 . 2]" 1
375 1 20 ILE H 1 20 ILE MD . . 4.940 4.063 3.789 4.325 . 0 0 "[ . 1 . 2]" 1
376 1 20 ILE H 1 20 ILE HG12 . . 4.170 2.992 2.595 3.341 . 0 0 "[ . 1 . 2]" 1
377 1 20 ILE H 1 20 ILE HG13 . . 4.370 2.572 2.222 2.989 . 0 0 "[ . 1 . 2]" 1
378 1 20 ILE H 1 20 ILE MG . . 4.340 3.867 3.783 3.950 . 0 0 "[ . 1 . 2]" 1
379 1 20 ILE H 1 21 HIS H . . 5.000 4.149 3.956 4.326 . 0 0 "[ . 1 . 2]" 1
380 1 20 ILE H 1 31 TYR QD . . 4.860 2.656 2.249 3.174 . 0 0 "[ . 1 . 2]" 1
381 1 20 ILE H 1 31 TYR QE . . 3.390 2.208 1.992 2.535 . 0 0 "[ . 1 . 2]" 1
382 1 20 ILE H 1 35 MET ME . . 4.980 4.385 3.993 4.693 . 0 0 "[ . 1 . 2]" 1
383 1 20 ILE H 1 90 VAL QG . . 5.500 4.258 3.880 4.734 . 0 0 "[ . 1 . 2]" 1
384 1 20 ILE HA 1 20 ILE MD . . 3.690 3.613 3.505 3.729 0.039 13 0 "[ . 1 . 2]" 1
385 1 20 ILE HA 1 20 ILE HG13 . . 3.970 3.566 3.435 3.657 . 0 0 "[ . 1 . 2]" 1
386 1 20 ILE HA 1 20 ILE MG . . 3.370 2.265 2.199 2.325 . 0 0 "[ . 1 . 2]" 1
387 1 20 ILE HA 1 21 HIS H . . 2.900 2.090 2.040 2.131 . 0 0 "[ . 1 . 2]" 1
388 1 20 ILE HA 1 21 HIS HA . . 4.950 4.433 4.403 4.486 . 0 0 "[ . 1 . 2]" 1
389 1 20 ILE HA 1 21 HIS HB3 . . 5.190 4.912 4.683 5.106 . 0 0 "[ . 1 . 2]" 1
390 1 20 ILE HA 1 21 HIS HD2 . . 4.310 4.066 3.671 4.364 0.054 12 0 "[ . 1 . 2]" 1
391 1 20 ILE HB 1 21 HIS H . . 4.350 4.240 4.146 4.317 . 0 0 "[ . 1 . 2]" 1
392 1 20 ILE HB 1 22 PHE QD . . 4.820 4.399 4.201 4.877 0.057 17 0 "[ . 1 . 2]" 1
393 1 20 ILE HB 1 22 PHE QE . . 3.590 2.971 2.762 3.411 . 0 0 "[ . 1 . 2]" 1
394 1 20 ILE HB 1 22 PHE HZ . . 4.070 3.276 3.056 3.767 . 0 0 "[ . 1 . 2]" 1
395 1 20 ILE HB 1 31 TYR QD . . 4.870 3.399 3.083 3.563 . 0 0 "[ . 1 . 2]" 1
396 1 20 ILE HB 1 31 TYR QE . . 4.340 3.918 3.587 4.132 . 0 0 "[ . 1 . 2]" 1
397 1 20 ILE HB 1 90 VAL H . . 5.500 5.475 5.092 5.576 0.076 9 0 "[ . 1 . 2]" 1
398 1 20 ILE MD 1 20 ILE MG . . 3.290 1.925 1.864 1.960 . 0 0 "[ . 1 . 2]" 1
399 1 20 ILE MD 1 22 PHE QD . . 4.980 5.099 5.071 5.119 0.139 17 0 "[ . 1 . 2]" 1
400 1 20 ILE MD 1 22 PHE QE . . 4.040 4.040 3.922 4.129 0.089 19 0 "[ . 1 . 2]" 1
401 1 20 ILE MD 1 22 PHE HZ . . 3.800 3.794 3.619 3.892 0.092 1 0 "[ . 1 . 2]" 1
402 1 20 ILE MD 1 31 TYR QD . . 4.780 4.500 4.129 4.757 . 0 0 "[ . 1 . 2]" 1
403 1 20 ILE MD 1 31 TYR QE . . 4.060 4.066 3.748 4.163 0.103 16 0 "[ . 1 . 2]" 1
404 1 20 ILE MD 1 86 MET ME . . 5.500 5.602 5.550 5.626 0.126 1 0 "[ . 1 . 2]" 1
405 1 20 ILE MD 1 89 ARG HA . . 4.630 3.789 3.689 3.882 . 0 0 "[ . 1 . 2]" 1
406 1 20 ILE MD 1 89 ARG HB2 . . 4.900 2.553 2.309 3.227 . 0 0 "[ . 1 . 2]" 1
407 1 20 ILE MD 1 89 ARG HB3 . . 3.760 1.994 1.914 2.130 . 0 0 "[ . 1 . 2]" 1
408 1 20 ILE MD 1 89 ARG QD . . 4.990 3.697 2.510 4.477 . 0 0 "[ . 1 . 2]" 1
409 1 20 ILE MD 1 89 ARG HG2 . . 4.840 3.919 3.192 4.587 . 0 0 "[ . 1 . 2]" 1
410 1 20 ILE MD 1 89 ARG HG3 . . 4.860 3.878 3.489 4.254 . 0 0 "[ . 1 . 2]" 1
411 1 20 ILE MD 1 90 VAL H . . 3.980 2.758 2.453 2.973 . 0 0 "[ . 1 . 2]" 1
412 1 20 ILE MD 1 90 VAL HA . . 3.340 2.115 1.975 2.321 . 0 0 "[ . 1 . 2]" 1
413 1 20 ILE MD 1 90 VAL HB . . 4.740 3.681 3.467 3.996 . 0 0 "[ . 1 . 2]" 1
414 1 20 ILE MD 1 90 VAL QG . . 3.690 1.977 1.937 2.058 . 0 0 "[ . 1 . 2]" 1
415 1 20 ILE MD 1 93 GLN H . . 5.500 4.197 3.960 4.394 . 0 0 "[ . 1 . 2]" 1
416 1 20 ILE MD 1 93 GLN HB2 . . 4.580 3.719 3.232 4.173 . 0 0 "[ . 1 . 2]" 1
417 1 20 ILE MD 1 93 GLN HE21 . . 4.820 2.333 1.759 3.785 . 0 0 "[ . 1 . 2]" 1
418 1 20 ILE MD 1 93 GLN HE22 . . 4.920 3.180 2.837 3.687 . 0 0 "[ . 1 . 2]" 1
419 1 20 ILE MD 1 93 GLN QG . . 4.320 2.597 2.259 2.921 . 0 0 "[ . 1 . 2]" 1
420 1 20 ILE MD 1 94 MET H . . 5.500 5.308 5.158 5.536 0.036 15 0 "[ . 1 . 2]" 1
421 1 20 ILE HG12 1 20 ILE MG . . 3.650 2.703 2.584 2.831 . 0 0 "[ . 1 . 2]" 1
422 1 20 ILE HG12 1 21 HIS H . . 5.140 4.658 4.525 4.760 . 0 0 "[ . 1 . 2]" 1
423 1 20 ILE HG12 1 31 TYR QD . . 5.030 5.124 5.111 5.134 0.104 6 0 "[ . 1 . 2]" 1
424 1 20 ILE HG12 1 31 TYR QE . . 4.650 4.390 4.049 4.645 . 0 0 "[ . 1 . 2]" 1
425 1 20 ILE HG12 1 90 VAL QG . . 5.020 3.487 3.261 3.783 . 0 0 "[ . 1 . 2]" 1
426 1 20 ILE HG12 1 93 GLN HE22 . . 4.530 3.455 2.706 3.996 . 0 0 "[ . 1 . 2]" 1
427 1 20 ILE HG13 1 31 TYR QD . . 5.390 4.064 3.942 4.191 . 0 0 "[ . 1 . 2]" 1
428 1 20 ILE HG13 1 90 VAL H . . 5.030 4.840 4.537 5.019 . 0 0 "[ . 1 . 2]" 1
429 1 20 ILE HG13 1 90 VAL QG . . 5.460 2.336 2.141 2.658 . 0 0 "[ . 1 . 2]" 1
430 1 20 ILE MG 1 21 HIS H . . 3.410 3.010 2.733 3.165 . 0 0 "[ . 1 . 2]" 1
431 1 20 ILE MG 1 21 HIS HA . . 4.830 4.181 3.881 4.359 . 0 0 "[ . 1 . 2]" 1
432 1 20 ILE MG 1 21 HIS HD2 . . 4.890 4.614 4.284 4.967 0.077 17 0 "[ . 1 . 2]" 1
433 1 20 ILE MG 1 22 PHE H . . 4.780 2.707 2.330 2.976 . 0 0 "[ . 1 . 2]" 1
434 1 20 ILE MG 1 22 PHE HA . . 4.960 3.565 3.353 3.940 . 0 0 "[ . 1 . 2]" 1
435 1 20 ILE MG 1 22 PHE QD . . 3.950 3.031 2.929 3.150 . 0 0 "[ . 1 . 2]" 1
436 1 20 ILE MG 1 22 PHE QE . . 3.560 2.684 2.539 2.829 . 0 0 "[ . 1 . 2]" 1
437 1 20 ILE MG 1 22 PHE HZ . . 3.710 2.790 2.629 3.010 . 0 0 "[ . 1 . 2]" 1
438 1 20 ILE MG 1 31 TYR QD . . 4.820 4.487 4.253 4.603 . 0 0 "[ . 1 . 2]" 1
439 1 20 ILE MG 1 31 TYR QE . . 5.030 4.920 4.646 5.101 0.071 6 0 "[ . 1 . 2]" 1
440 1 20 ILE MG 1 86 MET ME . . 5.500 4.459 4.244 4.687 . 0 0 "[ . 1 . 2]" 1
441 1 20 ILE MG 1 89 ARG HA . . 5.040 4.820 4.582 4.981 . 0 0 "[ . 1 . 2]" 1
442 1 20 ILE MG 1 89 ARG HB2 . . 4.580 3.158 2.758 3.500 . 0 0 "[ . 1 . 2]" 1
443 1 20 ILE MG 1 89 ARG HB3 . . 4.160 2.604 2.283 2.822 . 0 0 "[ . 1 . 2]" 1
444 1 20 ILE MG 1 89 ARG QD . . 4.810 3.414 2.370 4.247 . 0 0 "[ . 1 . 2]" 1
445 1 20 ILE MG 1 89 ARG HG2 . . 4.840 3.635 2.441 4.809 . 0 0 "[ . 1 . 2]" 1
446 1 20 ILE MG 1 89 ARG HG3 . . 4.160 3.654 2.947 4.066 . 0 0 "[ . 1 . 2]" 1
447 1 20 ILE MG 1 90 VAL HA . . 5.160 4.944 4.715 5.154 . 0 0 "[ . 1 . 2]" 1
448 1 20 ILE MG 1 90 VAL QG . . 4.970 3.749 3.525 3.843 . 0 0 "[ . 1 . 2]" 1
449 1 20 ILE MG 1 93 GLN HE22 . . 5.500 3.568 3.030 4.237 . 0 0 "[ . 1 . 2]" 1
450 1 20 ILE MG 1 93 GLN QG . . 5.500 4.408 4.077 4.712 . 0 0 "[ . 1 . 2]" 1
451 1 21 HIS H 1 21 HIS HB2 . . 3.890 3.753 3.648 3.885 . 0 0 "[ . 1 . 2]" 1
452 1 21 HIS H 1 21 HIS HB3 . . 3.570 3.421 3.291 3.595 0.025 17 0 "[ . 1 . 2]" 1
453 1 21 HIS H 1 21 HIS HD2 . . 3.710 2.311 2.015 2.684 . 0 0 "[ . 1 . 2]" 1
454 1 21 HIS H 1 22 PHE H . . 4.960 2.046 1.854 2.871 . 0 0 "[ . 1 . 2]" 1
455 1 21 HIS H 1 22 PHE QD . . 4.820 4.010 3.808 4.377 . 0 0 "[ . 1 . 2]" 1
456 1 21 HIS H 1 22 PHE QE . . 4.730 4.796 4.697 4.836 0.106 8 0 "[ . 1 . 2]" 1
457 1 21 HIS HA 1 21 HIS HD2 . . 4.110 4.118 4.019 4.179 0.069 3 0 "[ . 1 . 2]" 1
458 1 21 HIS HA 1 22 PHE H . . 3.430 3.159 2.283 3.359 . 0 0 "[ . 1 . 2]" 1
459 1 21 HIS HA 1 22 PHE HA . . 5.100 5.043 4.660 5.173 0.073 11 0 "[ . 1 . 2]" 1
460 1 21 HIS HA 1 22 PHE QD . . 3.850 2.535 2.337 2.901 . 0 0 "[ . 1 . 2]" 1
461 1 21 HIS HA 1 22 PHE QE . . 5.470 3.756 3.570 3.973 . 0 0 "[ . 1 . 2]" 1
462 1 21 HIS HA 1 23 GLY H . . 4.450 4.106 3.365 4.324 . 0 0 "[ . 1 . 2]" 1
463 1 21 HIS HA 1 28 ASP HA . . 3.750 2.154 1.975 2.486 . 0 0 "[ . 1 . 2]" 1
464 1 21 HIS HB2 1 21 HIS HD2 . . 3.600 3.371 3.170 3.562 . 0 0 "[ . 1 . 2]" 1
465 1 21 HIS HB2 1 22 PHE H . . 4.810 4.181 4.015 4.468 . 0 0 "[ . 1 . 2]" 1
466 1 21 HIS HB2 1 23 GLY H . . 4.080 3.476 3.092 4.024 . 0 0 "[ . 1 . 2]" 1
467 1 21 HIS HB2 1 28 ASP HA . . 3.890 3.827 3.390 3.974 0.084 8 0 "[ . 1 . 2]" 1
468 1 21 HIS HB3 1 22 PHE H . . 4.890 4.493 4.363 4.588 . 0 0 "[ . 1 . 2]" 1
469 1 21 HIS HB3 1 22 PHE QD . . 5.430 4.749 4.508 5.206 . 0 0 "[ . 1 . 2]" 1
470 1 21 HIS HB3 1 23 GLY H . . 5.130 4.880 4.517 5.219 0.089 16 0 "[ . 1 . 2]" 1
471 1 21 HIS HD2 1 22 PHE H . . 5.230 2.894 2.437 4.261 . 0 0 "[ . 1 . 2]" 1
472 1 21 HIS HD2 1 23 GLY H . . 5.030 3.388 2.731 4.742 . 0 0 "[ . 1 . 2]" 1
473 1 21 HIS HD2 1 23 GLY HA2 . . 5.190 4.827 4.132 5.272 0.082 8 0 "[ . 1 . 2]" 1
474 1 22 PHE H 1 22 PHE HB2 . . 4.100 3.490 2.987 3.668 . 0 0 "[ . 1 . 2]" 1
475 1 22 PHE H 1 22 PHE HB3 . . 4.160 3.881 3.506 4.034 . 0 0 "[ . 1 . 2]" 1
476 1 22 PHE H 1 22 PHE QD . . 3.270 2.947 1.889 3.327 0.057 14 0 "[ . 1 . 2]" 1
477 1 22 PHE H 1 22 PHE QE . . 5.150 4.328 3.397 4.660 . 0 0 "[ . 1 . 2]" 1
478 1 22 PHE H 1 23 GLY H . . 3.660 3.192 2.982 3.443 . 0 0 "[ . 1 . 2]" 1
479 1 22 PHE H 1 24 ASN H . . 4.590 4.555 4.293 4.659 0.069 20 0 "[ . 1 . 2]" 1
480 1 22 PHE H 1 28 ASP HA . . 5.200 5.068 4.002 5.273 0.073 5 0 "[ . 1 . 2]" 1
481 1 22 PHE HA 1 22 PHE QD . . 3.480 3.180 3.005 3.402 . 0 0 "[ . 1 . 2]" 1
482 1 22 PHE HA 1 22 PHE QE . . 5.260 4.909 4.737 5.112 . 0 0 "[ . 1 . 2]" 1
483 1 22 PHE HA 1 24 ASN H . . 4.800 4.286 4.013 4.674 . 0 0 "[ . 1 . 2]" 1
484 1 22 PHE HB2 1 23 GLY H . . 4.360 3.426 2.828 3.910 . 0 0 "[ . 1 . 2]" 1
485 1 22 PHE HB2 1 24 ASN H . . 4.910 2.412 2.130 2.773 . 0 0 "[ . 1 . 2]" 1
486 1 22 PHE HB2 1 24 ASN QB . . 3.210 2.536 2.131 3.159 . 0 0 "[ . 1 . 2]" 1
487 1 22 PHE HB2 1 27 GLU HB2 . . 4.570 2.501 2.159 2.988 . 0 0 "[ . 1 . 2]" 1
488 1 22 PHE HB2 1 27 GLU HB3 . . 4.690 3.244 2.926 3.576 . 0 0 "[ . 1 . 2]" 1
489 1 22 PHE HB2 1 27 GLU QG . . 5.090 4.195 3.766 4.670 . 0 0 "[ . 1 . 2]" 1
490 1 22 PHE HB2 1 28 ASP H . . 4.750 4.383 4.005 4.817 0.067 17 0 "[ . 1 . 2]" 1
491 1 22 PHE HB3 1 23 GLY H . . 4.660 4.260 3.967 4.523 . 0 0 "[ . 1 . 2]" 1
492 1 22 PHE HB3 1 24 ASN H . . 4.260 3.654 3.181 4.061 . 0 0 "[ . 1 . 2]" 1
493 1 22 PHE HB3 1 24 ASN QB . . 5.180 3.514 2.847 4.445 . 0 0 "[ . 1 . 2]" 1
494 1 22 PHE HB3 1 24 ASN QD . . 5.500 4.025 3.369 5.142 . 0 0 "[ . 1 . 2]" 1
495 1 22 PHE HB3 1 27 GLU HB2 . . 4.780 3.766 3.436 4.518 . 0 0 "[ . 1 . 2]" 1
496 1 22 PHE HB3 1 27 GLU HB3 . . 4.960 4.147 3.868 4.729 . 0 0 "[ . 1 . 2]" 1
497 1 22 PHE QD 1 23 GLY H . . 4.700 4.270 3.532 4.592 . 0 0 "[ . 1 . 2]" 1
498 1 22 PHE QD 1 24 ASN H . . 3.950 4.018 3.792 4.055 0.105 17 0 "[ . 1 . 2]" 1
499 1 22 PHE QD 1 27 GLU HB2 . . 4.410 2.955 2.716 3.243 . 0 0 "[ . 1 . 2]" 1
500 1 22 PHE QD 1 27 GLU HB3 . . 4.220 2.609 2.366 2.850 . 0 0 "[ . 1 . 2]" 1
501 1 22 PHE QD 1 28 ASP H . . 4.320 3.747 3.405 4.182 . 0 0 "[ . 1 . 2]" 1
502 1 22 PHE QD 1 28 ASP HA . . 3.290 3.171 2.825 3.369 0.079 17 0 "[ . 1 . 2]" 1
503 1 22 PHE QD 1 31 TYR H . . 5.500 5.095 4.839 5.312 . 0 0 "[ . 1 . 2]" 1
504 1 22 PHE QD 1 31 TYR HB2 . . 5.410 4.462 4.212 4.890 . 0 0 "[ . 1 . 2]" 1
505 1 22 PHE QD 1 86 MET ME . . 4.090 3.587 3.285 3.928 . 0 0 "[ . 1 . 2]" 1
506 1 22 PHE QE 1 28 ASP HA . . 4.520 3.814 3.377 4.293 . 0 0 "[ . 1 . 2]" 1
507 1 22 PHE QE 1 31 TYR H . . 4.580 3.823 3.647 4.052 . 0 0 "[ . 1 . 2]" 1
508 1 22 PHE QE 1 31 TYR HB2 . . 3.820 2.297 2.127 2.692 . 0 0 "[ . 1 . 2]" 1
509 1 22 PHE QE 1 31 TYR HB3 . . 3.770 2.873 2.566 3.077 . 0 0 "[ . 1 . 2]" 1
510 1 22 PHE QE 1 31 TYR QD . . 4.210 3.718 3.529 4.037 . 0 0 "[ . 1 . 2]" 1
511 1 22 PHE QE 1 32 ARG H . . 5.460 5.220 4.848 5.449 . 0 0 "[ . 1 . 2]" 1
512 1 22 PHE QE 1 86 MET HA . . 4.110 3.667 2.806 4.182 0.072 8 0 "[ . 1 . 2]" 1
513 1 22 PHE QE 1 86 MET ME . . 3.950 2.693 2.276 3.025 . 0 0 "[ . 1 . 2]" 1
514 1 22 PHE QE 1 89 ARG HB2 . . 4.850 3.539 2.779 4.013 . 0 0 "[ . 1 . 2]" 1
515 1 22 PHE QE 1 89 ARG QD . . 4.870 2.824 2.308 3.647 . 0 0 "[ . 1 . 2]" 1
516 1 22 PHE QE 1 89 ARG HG2 . . 4.080 3.054 2.148 4.090 0.010 16 0 "[ . 1 . 2]" 1
517 1 22 PHE QE 1 89 ARG HG3 . . 5.100 3.056 2.077 4.063 . 0 0 "[ . 1 . 2]" 1
518 1 22 PHE HZ 1 31 TYR H . . 5.480 5.345 4.882 5.560 0.080 16 0 "[ . 1 . 2]" 1
519 1 22 PHE HZ 1 31 TYR HB2 . . 4.830 3.399 3.032 3.555 . 0 0 "[ . 1 . 2]" 1
520 1 22 PHE HZ 1 31 TYR HB3 . . 4.900 4.775 4.363 4.978 0.078 19 0 "[ . 1 . 2]" 1
521 1 22 PHE HZ 1 31 TYR QD . . 4.540 4.163 3.732 4.602 0.062 13 0 "[ . 1 . 2]" 1
522 1 22 PHE HZ 1 86 MET H . . 5.500 5.410 5.017 5.583 0.083 8 0 "[ . 1 . 2]" 1
523 1 22 PHE HZ 1 86 MET HA . . 4.030 2.894 2.551 3.204 . 0 0 "[ . 1 . 2]" 1
524 1 22 PHE HZ 1 86 MET HB3 . . 4.330 3.448 2.620 4.367 0.037 8 0 "[ . 1 . 2]" 1
525 1 22 PHE HZ 1 86 MET ME . . 4.180 2.783 2.572 3.053 . 0 0 "[ . 1 . 2]" 1
526 1 22 PHE HZ 1 86 MET HG2 . . 5.120 4.107 2.859 4.967 . 0 0 "[ . 1 . 2]" 1
527 1 22 PHE HZ 1 86 MET HG3 . . 4.810 4.453 3.712 4.963 0.153 8 0 "[ . 1 . 2]" 1
528 1 22 PHE HZ 1 89 ARG HB2 . . 4.900 3.608 3.364 3.903 . 0 0 "[ . 1 . 2]" 1
529 1 22 PHE HZ 1 89 ARG QD . . 4.950 4.217 3.510 4.835 . 0 0 "[ . 1 . 2]" 1
530 1 22 PHE HZ 1 90 VAL H . . 5.500 5.372 4.975 5.551 0.051 15 0 "[ . 1 . 2]" 1
531 1 22 PHE HZ 1 90 VAL QG . . 4.510 4.404 4.095 4.493 . 0 0 "[ . 1 . 2]" 1
532 1 23 GLY H 1 24 ASN H . . 3.190 2.490 2.020 2.849 . 0 0 "[ . 1 . 2]" 1
533 1 24 ASN H 1 24 ASN QB . . 3.570 2.259 2.017 2.753 . 0 0 "[ . 1 . 2]" 1
534 1 24 ASN H 1 24 ASN QD . . 4.750 4.145 3.852 4.502 . 0 0 "[ . 1 . 2]" 1
535 1 24 ASN H 1 25 ASP H . . 4.620 4.471 4.295 4.576 . 0 0 "[ . 1 . 2]" 1
536 1 24 ASN H 1 26 TRP H . . 5.500 5.205 4.486 5.575 0.075 9 0 "[ . 1 . 2]" 1
537 1 24 ASN H 1 27 GLU H . . 5.500 4.759 4.393 5.097 . 0 0 "[ . 1 . 2]" 1
538 1 24 ASN H 1 27 GLU HB2 . . 4.770 3.508 3.128 3.862 . 0 0 "[ . 1 . 2]" 1
539 1 24 ASN H 1 27 GLU HB3 . . 4.900 4.928 4.509 4.988 0.088 7 0 "[ . 1 . 2]" 1
540 1 24 ASN H 1 28 ASP H . . 4.770 4.106 3.772 4.670 . 0 0 "[ . 1 . 2]" 1
541 1 24 ASN H 1 28 ASP QB . . 5.270 3.981 3.439 4.887 . 0 0 "[ . 1 . 2]" 1
542 1 24 ASN HA 1 25 ASP H . . 2.920 2.250 2.049 2.521 . 0 0 "[ . 1 . 2]" 1
543 1 24 ASN HA 1 25 ASP HA . . 4.800 4.407 4.231 4.545 . 0 0 "[ . 1 . 2]" 1
544 1 24 ASN HA 1 25 ASP QB . . 4.320 4.025 3.794 4.311 . 0 0 "[ . 1 . 2]" 1
545 1 24 ASN HA 1 26 TRP H . . 4.740 4.015 3.643 4.289 . 0 0 "[ . 1 . 2]" 1
546 1 24 ASN QB 1 25 ASP H . . 3.620 2.996 2.133 3.541 . 0 0 "[ . 1 . 2]" 1
547 1 24 ASN QB 1 26 TRP H . . 4.560 2.653 2.142 3.099 . 0 0 "[ . 1 . 2]" 1
548 1 24 ASN QB 1 26 TRP QB . . 5.050 4.512 4.156 4.778 . 0 0 "[ . 1 . 2]" 1
549 1 24 ASN QB 1 26 TRP HD1 . . 3.940 3.316 2.206 4.027 0.087 1 0 "[ . 1 . 2]" 1
550 1 24 ASN QB 1 26 TRP HE1 . . 5.460 3.562 2.784 4.281 . 0 0 "[ . 1 . 2]" 1
551 1 24 ASN QB 1 26 TRP HZ2 . . 5.120 4.816 4.426 5.195 0.075 9 0 "[ . 1 . 2]" 1
552 1 24 ASN QB 1 27 GLU H . . 4.390 2.128 1.843 2.409 . 0 0 "[ . 1 . 2]" 1
553 1 24 ASN QB 1 27 GLU HB2 . . 4.230 2.068 1.930 2.337 . 0 0 "[ . 1 . 2]" 1
554 1 24 ASN QB 1 27 GLU HB3 . . 4.790 3.591 3.338 3.967 . 0 0 "[ . 1 . 2]" 1
555 1 24 ASN QB 1 27 GLU QG . . 4.970 2.768 2.362 3.241 . 0 0 "[ . 1 . 2]" 1
556 1 24 ASN QD 1 25 ASP H . . 5.500 4.494 3.062 5.197 . 0 0 "[ . 1 . 2]" 1
557 1 24 ASN QD 1 26 TRP HD1 . . 4.440 3.931 2.862 4.358 . 0 0 "[ . 1 . 2]" 1
558 1 24 ASN QD 1 26 TRP HE1 . . 5.500 2.559 2.165 3.160 . 0 0 "[ . 1 . 2]" 1
559 1 24 ASN QD 1 27 GLU H . . 5.460 3.841 3.001 4.412 . 0 0 "[ . 1 . 2]" 1
560 1 24 ASN QD 1 27 GLU HB2 . . 4.920 3.509 2.403 4.565 . 0 0 "[ . 1 . 2]" 1
561 1 24 ASN QD 1 27 GLU QG . . 5.350 2.898 2.017 4.379 . 0 0 "[ . 1 . 2]" 1
562 1 25 ASP H 1 25 ASP QB . . 3.050 2.238 2.048 2.557 . 0 0 "[ . 1 . 2]" 1
563 1 25 ASP H 1 26 TRP H . . 3.590 2.591 2.149 3.089 . 0 0 "[ . 1 . 2]" 1
564 1 25 ASP H 1 26 TRP QB . . 5.180 4.868 4.476 5.243 0.063 20 0 "[ . 1 . 2]" 1
565 1 25 ASP H 1 26 TRP HD1 . . 5.430 3.496 2.999 4.114 . 0 0 "[ . 1 . 2]" 1
566 1 25 ASP H 1 27 GLU H . . 5.370 4.312 3.711 4.782 . 0 0 "[ . 1 . 2]" 1
567 1 25 ASP H 1 28 ASP H . . 5.470 4.934 4.608 5.214 . 0 0 "[ . 1 . 2]" 1
568 1 25 ASP HA 1 26 TRP HD1 . . 5.360 5.330 5.021 5.447 0.087 18 0 "[ . 1 . 2]" 1
569 1 25 ASP HA 1 27 GLU H . . 5.500 5.034 4.738 5.222 . 0 0 "[ . 1 . 2]" 1
570 1 25 ASP HA 1 28 ASP H . . 4.190 4.216 3.629 4.270 0.080 8 0 "[ . 1 . 2]" 1
571 1 25 ASP HA 1 29 ARG H . . 4.800 4.704 4.091 4.878 0.078 16 0 "[ . 1 . 2]" 1
572 1 25 ASP QB 1 26 TRP H . . 3.410 3.014 2.453 3.507 0.097 1 0 "[ . 1 . 2]" 1
573 1 25 ASP QB 1 26 TRP QB . . 4.480 4.010 3.566 4.436 . 0 0 "[ . 1 . 2]" 1
574 1 26 TRP H 1 26 TRP QB . . 3.050 2.851 2.538 3.131 0.081 7 0 "[ . 1 . 2]" 1
575 1 26 TRP H 1 26 TRP HD1 . . 3.550 2.302 2.065 2.752 . 0 0 "[ . 1 . 2]" 1
576 1 26 TRP H 1 27 GLU H . . 3.540 2.390 1.986 2.744 . 0 0 "[ . 1 . 2]" 1
577 1 26 TRP H 1 27 GLU HB2 . . 5.500 4.456 3.998 4.945 . 0 0 "[ . 1 . 2]" 1
578 1 26 TRP H 1 27 GLU QG . . 5.500 4.232 3.900 4.757 . 0 0 "[ . 1 . 2]" 1
579 1 26 TRP H 1 28 ASP H . . 5.000 3.746 3.044 4.129 . 0 0 "[ . 1 . 2]" 1
580 1 26 TRP H 1 28 ASP QB . . 5.500 4.604 4.114 5.188 . 0 0 "[ . 1 . 2]" 1
581 1 26 TRP HA 1 26 TRP HD1 . . 4.150 4.234 4.223 4.245 0.095 8 0 "[ . 1 . 2]" 1
582 1 26 TRP HA 1 26 TRP HE3 . . 4.690 4.348 4.242 4.534 . 0 0 "[ . 1 . 2]" 1
583 1 26 TRP HA 1 28 ASP H . . 5.500 4.295 3.807 4.541 . 0 0 "[ . 1 . 2]" 1
584 1 26 TRP HA 1 29 ARG H . . 4.110 3.643 3.310 3.872 . 0 0 "[ . 1 . 2]" 1
585 1 26 TRP HA 1 29 ARG QB . . 3.730 3.496 2.922 3.832 0.102 13 0 "[ . 1 . 2]" 1
586 1 26 TRP HA 1 29 ARG HD2 . . 5.220 4.822 4.118 5.301 0.081 8 0 "[ . 1 . 2]" 1
587 1 26 TRP HA 1 29 ARG HD3 . . 4.780 3.594 2.354 4.822 0.042 8 0 "[ . 1 . 2]" 1
588 1 26 TRP HA 1 29 ARG QG . . 5.010 3.699 2.542 4.854 . 0 0 "[ . 1 . 2]" 1
589 1 26 TRP HA 1 30 TYR H . . 5.000 4.039 3.831 4.356 . 0 0 "[ . 1 . 2]" 1
590 1 26 TRP QB 1 26 TRP HD1 . . 2.960 2.634 2.562 2.721 . 0 0 "[ . 1 . 2]" 1
591 1 26 TRP QB 1 26 TRP HE3 . . 3.200 2.574 2.508 2.653 . 0 0 "[ . 1 . 2]" 1
592 1 26 TRP QB 1 27 GLU H . . 4.170 3.431 3.333 3.602 . 0 0 "[ . 1 . 2]" 1
593 1 26 TRP HD1 1 27 GLU H . . 4.440 3.438 3.087 3.696 . 0 0 "[ . 1 . 2]" 1
594 1 26 TRP HE1 1 27 GLU QG . . 5.500 3.525 3.216 3.819 . 0 0 "[ . 1 . 2]" 1
595 1 26 TRP HE3 1 27 GLU H . . 4.130 3.719 3.538 3.870 . 0 0 "[ . 1 . 2]" 1
596 1 26 TRP HE3 1 27 GLU HA . . 4.040 3.085 2.899 3.212 . 0 0 "[ . 1 . 2]" 1
597 1 26 TRP HE3 1 27 GLU HB2 . . 5.260 5.293 5.156 5.334 0.074 3 0 "[ . 1 . 2]" 1
598 1 26 TRP HE3 1 27 GLU HB3 . . 5.280 5.238 4.979 5.353 0.073 14 0 "[ . 1 . 2]" 1
599 1 26 TRP HE3 1 27 GLU QG . . 3.630 3.228 3.096 3.308 . 0 0 "[ . 1 . 2]" 1
600 1 26 TRP HE3 1 30 TYR HB3 . . 5.070 3.806 3.318 4.221 . 0 0 "[ . 1 . 2]" 1
601 1 26 TRP HE3 1 30 TYR QD . . 3.670 2.815 2.346 3.615 . 0 0 "[ . 1 . 2]" 1
602 1 26 TRP HE3 1 82 THR MG . . 4.570 3.985 3.716 4.572 0.002 6 0 "[ . 1 . 2]" 1
603 1 26 TRP HE3 1 86 MET ME . . 4.310 4.110 3.695 4.394 0.084 6 0 "[ . 1 . 2]" 1
604 1 26 TRP HH2 1 27 GLU HA . . 5.140 5.159 4.927 5.215 0.075 13 0 "[ . 1 . 2]" 1
605 1 26 TRP HH2 1 27 GLU QG . . 4.920 3.022 2.843 3.130 . 0 0 "[ . 1 . 2]" 1
606 1 26 TRP HH2 1 82 THR MG . . 3.280 2.747 2.127 3.214 . 0 0 "[ . 1 . 2]" 1
607 1 26 TRP HH2 1 86 MET ME . . 4.330 4.082 3.932 4.218 . 0 0 "[ . 1 . 2]" 1
608 1 26 TRP HZ2 1 27 GLU QG . . 5.340 3.051 2.944 3.154 . 0 0 "[ . 1 . 2]" 1
609 1 26 TRP HZ2 1 86 MET ME . . 5.210 5.297 5.225 5.318 0.108 20 0 "[ . 1 . 2]" 1
610 1 26 TRP HZ3 1 27 GLU H . . 5.170 5.177 4.985 5.239 0.069 10 0 "[ . 1 . 2]" 1
611 1 26 TRP HZ3 1 27 GLU HA . . 3.850 3.842 3.610 3.913 0.063 16 0 "[ . 1 . 2]" 1
612 1 26 TRP HZ3 1 27 GLU QG . . 4.160 2.924 2.782 3.089 . 0 0 "[ . 1 . 2]" 1
613 1 26 TRP HZ3 1 30 TYR HB2 . . 5.500 4.260 3.758 4.920 . 0 0 "[ . 1 . 2]" 1
614 1 26 TRP HZ3 1 82 THR MG . . 3.670 2.185 2.035 2.632 . 0 0 "[ . 1 . 2]" 1
615 1 26 TRP HZ3 1 86 MET ME . . 4.430 3.265 2.842 3.643 . 0 0 "[ . 1 . 2]" 1
616 1 27 GLU H 1 27 GLU HB2 . . 3.690 2.490 2.372 2.656 . 0 0 "[ . 1 . 2]" 1
617 1 27 GLU H 1 27 GLU HB3 . . 4.070 3.605 3.545 3.662 . 0 0 "[ . 1 . 2]" 1
618 1 27 GLU H 1 27 GLU QG . . 4.770 2.276 2.128 2.510 . 0 0 "[ . 1 . 2]" 1
619 1 27 GLU H 1 28 ASP H . . 3.260 2.848 2.650 3.107 . 0 0 "[ . 1 . 2]" 1
620 1 27 GLU HA 1 30 TYR H . . 4.230 3.393 3.181 3.582 . 0 0 "[ . 1 . 2]" 1
621 1 27 GLU HA 1 30 TYR HB2 . . 4.080 2.953 2.479 3.385 . 0 0 "[ . 1 . 2]" 1
622 1 27 GLU HA 1 30 TYR HB3 . . 4.460 2.250 2.109 2.408 . 0 0 "[ . 1 . 2]" 1
623 1 27 GLU HA 1 30 TYR QD . . 4.550 3.914 2.448 4.224 . 0 0 "[ . 1 . 2]" 1
624 1 27 GLU HA 1 31 TYR H . . 5.070 3.603 3.451 3.796 . 0 0 "[ . 1 . 2]" 1
625 1 27 GLU HA 1 86 MET ME . . 3.400 2.391 2.104 2.728 . 0 0 "[ . 1 . 2]" 1
626 1 27 GLU HB2 1 28 ASP H . . 3.210 2.947 2.729 3.195 . 0 0 "[ . 1 . 2]" 1
627 1 27 GLU HB2 1 86 MET ME . . 3.950 3.544 3.428 3.743 . 0 0 "[ . 1 . 2]" 1
628 1 27 GLU HB3 1 28 ASP H . . 4.190 3.778 3.591 4.005 . 0 0 "[ . 1 . 2]" 1
629 1 27 GLU HB3 1 86 MET ME . . 3.340 2.125 2.034 2.221 . 0 0 "[ . 1 . 2]" 1
630 1 27 GLU QG 1 86 MET ME . . 4.490 2.256 2.073 2.556 . 0 0 "[ . 1 . 2]" 1
631 1 28 ASP H 1 28 ASP QB . . 3.410 2.211 2.114 2.467 . 0 0 "[ . 1 . 2]" 1
632 1 28 ASP H 1 86 MET ME . . 5.100 4.739 4.519 5.104 0.004 13 0 "[ . 1 . 2]" 1
633 1 28 ASP HA 1 31 TYR H . . 4.790 4.196 3.956 4.530 . 0 0 "[ . 1 . 2]" 1
634 1 28 ASP HA 1 31 TYR QD . . 4.840 4.282 3.838 4.929 0.089 17 0 "[ . 1 . 2]" 1
635 1 28 ASP HA 1 32 ARG H . . 5.320 4.129 3.882 4.694 . 0 0 "[ . 1 . 2]" 1
636 1 28 ASP HA 1 86 MET ME . . 5.500 4.864 4.619 5.247 . 0 0 "[ . 1 . 2]" 1
637 1 29 ARG H 1 29 ARG QB . . 3.020 2.170 2.046 2.384 . 0 0 "[ . 1 . 2]" 1
638 1 29 ARG H 1 29 ARG HD2 . . 4.960 4.826 4.522 5.028 0.068 3 0 "[ . 1 . 2]" 1
639 1 29 ARG H 1 29 ARG HD3 . . 5.050 4.391 3.697 5.106 0.056 11 0 "[ . 1 . 2]" 1
640 1 29 ARG H 1 29 ARG QG . . 3.950 3.265 2.593 3.757 . 0 0 "[ . 1 . 2]" 1
641 1 29 ARG H 1 30 TYR H . . 3.590 2.673 2.435 2.939 . 0 0 "[ . 1 . 2]" 1
642 1 29 ARG H 1 31 TYR H . . 4.980 4.775 4.503 5.013 0.033 6 0 "[ . 1 . 2]" 1
643 1 29 ARG HA 1 29 ARG HD2 . . 4.680 4.550 4.278 4.973 0.293 7 0 "[ . 1 . 2]" 1
644 1 29 ARG HA 1 29 ARG HD3 . . 5.150 4.886 4.713 5.134 . 0 0 "[ . 1 . 2]" 1
645 1 29 ARG HA 1 29 ARG QG . . 3.650 2.955 2.488 3.321 . 0 0 "[ . 1 . 2]" 1
646 1 29 ARG HA 1 31 TYR H . . 5.500 4.967 4.804 5.077 . 0 0 "[ . 1 . 2]" 1
647 1 29 ARG HA 1 32 ARG H . . 4.280 3.547 3.381 3.705 . 0 0 "[ . 1 . 2]" 1
648 1 29 ARG HA 1 32 ARG HB2 . . 4.270 2.496 2.243 2.723 . 0 0 "[ . 1 . 2]" 1
649 1 29 ARG HA 1 32 ARG HB3 . . 3.750 3.937 3.337 4.323 0.573 3 4 "[ + . * - *2]" 1
650 1 29 ARG HA 1 32 ARG HD2 . . 4.910 4.515 3.529 4.987 0.077 6 0 "[ . 1 . 2]" 1
651 1 29 ARG HA 1 32 ARG HD3 . . 4.720 3.611 2.137 4.890 0.170 7 0 "[ . 1 . 2]" 1
652 1 29 ARG HA 1 33 GLU H . . 5.440 3.982 3.777 4.220 . 0 0 "[ . 1 . 2]" 1
653 1 29 ARG QB 1 29 ARG HD2 . . 3.530 2.376 2.259 2.636 . 0 0 "[ . 1 . 2]" 1
654 1 29 ARG QB 1 29 ARG HD3 . . 3.480 2.529 2.235 2.765 . 0 0 "[ . 1 . 2]" 1
655 1 29 ARG QB 1 30 TYR H . . 3.490 3.164 2.609 3.568 0.078 3 0 "[ . 1 . 2]" 1
656 1 29 ARG QB 1 32 ARG HD3 . . 5.270 4.947 3.771 6.156 0.886 18 3 "[ . * 1 - + 2]" 1
657 1 29 ARG QG 1 30 TYR H . . 4.530 2.648 2.119 3.232 . 0 0 "[ . 1 . 2]" 1
658 1 29 ARG QG 1 33 GLU QG . . 5.120 2.951 2.107 3.764 . 0 0 "[ . 1 . 2]" 1
659 1 30 TYR H 1 30 TYR HB2 . . 3.610 2.339 2.266 2.537 . 0 0 "[ . 1 . 2]" 1
660 1 30 TYR H 1 30 TYR HB3 . . 3.580 2.518 2.267 2.658 . 0 0 "[ . 1 . 2]" 1
661 1 30 TYR H 1 30 TYR QD . . 4.090 4.160 4.099 4.183 0.093 4 0 "[ . 1 . 2]" 1
662 1 30 TYR H 1 31 TYR H . . 3.680 2.981 2.841 3.105 . 0 0 "[ . 1 . 2]" 1
663 1 30 TYR H 1 31 TYR HB3 . . 5.030 4.858 4.710 5.073 0.043 13 0 "[ . 1 . 2]" 1
664 1 30 TYR HA 1 30 TYR QD . . 3.630 3.191 2.289 3.303 . 0 0 "[ . 1 . 2]" 1
665 1 30 TYR HA 1 33 GLU H . . 4.560 3.837 3.518 4.052 . 0 0 "[ . 1 . 2]" 1
666 1 30 TYR HA 1 33 GLU QB . . 4.290 3.257 2.933 3.510 . 0 0 "[ . 1 . 2]" 1
667 1 30 TYR HA 1 33 GLU QG . . 5.340 3.817 3.170 4.273 . 0 0 "[ . 1 . 2]" 1
668 1 30 TYR HA 1 34 ASN H . . 5.280 4.159 3.920 5.056 . 0 0 "[ . 1 . 2]" 1
669 1 30 TYR HA 1 34 ASN HD21 . . 4.250 3.236 2.778 4.669 0.419 13 0 "[ . 1 . 2]" 1
670 1 30 TYR HA 1 34 ASN HD22 . . 4.770 3.752 3.194 4.374 . 0 0 "[ . 1 . 2]" 1
671 1 30 TYR HB2 1 31 TYR H . . 4.110 3.608 3.489 3.740 . 0 0 "[ . 1 . 2]" 1
672 1 30 TYR HB2 1 86 MET ME . . 3.800 3.763 3.490 4.328 0.528 1 1 "[+ . 1 . 2]" 1
673 1 30 TYR HB3 1 31 TYR H . . 4.410 2.148 2.017 2.310 . 0 0 "[ . 1 . 2]" 1
674 1 30 TYR QD 1 31 TYR H . . 4.010 2.970 2.868 3.597 . 0 0 "[ . 1 . 2]" 1
675 1 30 TYR QD 1 31 TYR HA . . 3.890 2.953 2.692 3.991 0.101 1 0 "[ . 1 . 2]" 1
676 1 30 TYR QD 1 31 TYR HB2 . . 5.080 3.971 3.598 4.570 . 0 0 "[ . 1 . 2]" 1
677 1 30 TYR QD 1 33 GLU QB . . 4.980 4.931 3.652 5.095 0.115 12 0 "[ . 1 . 2]" 1
678 1 30 TYR QD 1 34 ASN HD21 . . 5.490 3.405 2.230 4.117 . 0 0 "[ . 1 . 2]" 1
679 1 30 TYR QD 1 34 ASN HD22 . . 4.670 3.967 2.115 4.752 0.082 19 0 "[ . 1 . 2]" 1
680 1 30 TYR QD 1 82 THR MG . . 3.720 3.298 3.043 3.552 . 0 0 "[ . 1 . 2]" 1
681 1 30 TYR QD 1 86 MET ME . . 3.170 2.859 2.123 3.231 0.061 6 0 "[ . 1 . 2]" 1
682 1 30 TYR QE 1 31 TYR H . . 5.060 5.159 5.145 5.168 0.108 3 0 "[ . 1 . 2]" 1
683 1 30 TYR QE 1 31 TYR HA . . 4.580 4.524 4.146 4.689 0.109 1 0 "[ . 1 . 2]" 1
684 1 30 TYR QE 1 34 ASN HB2 . . 4.330 3.621 2.717 4.438 0.108 18 0 "[ . 1 . 2]" 1
685 1 30 TYR QE 1 34 ASN HB3 . . 4.550 4.135 3.421 4.641 0.091 12 0 "[ . 1 . 2]" 1
686 1 30 TYR QE 1 82 THR H . . 5.170 5.267 5.236 5.287 0.117 6 0 "[ . 1 . 2]" 1
687 1 30 TYR QE 1 82 THR HB . . 5.310 3.169 2.874 3.511 . 0 0 "[ . 1 . 2]" 1
688 1 30 TYR QE 1 82 THR MG . . 3.490 2.393 2.109 2.946 . 0 0 "[ . 1 . 2]" 1
689 1 30 TYR QE 1 86 MET H . . 4.770 4.770 4.546 4.866 0.096 1 0 "[ . 1 . 2]" 1
690 1 30 TYR QE 1 86 MET ME . . 3.930 3.738 2.601 4.017 0.087 6 0 "[ . 1 . 2]" 1
691 1 30 TYR QE 1 86 MET HG2 . . 4.380 3.562 2.597 4.530 0.150 9 0 "[ . 1 . 2]" 1
692 1 30 TYR QE 1 86 MET HG3 . . 4.460 2.728 2.269 3.377 . 0 0 "[ . 1 . 2]" 1
693 1 31 TYR H 1 31 TYR HB2 . . 3.840 2.503 2.393 2.596 . 0 0 "[ . 1 . 2]" 1
694 1 31 TYR H 1 31 TYR HB3 . . 3.730 2.497 2.330 2.657 . 0 0 "[ . 1 . 2]" 1
695 1 31 TYR H 1 31 TYR QD . . 4.580 4.166 4.102 4.212 . 0 0 "[ . 1 . 2]" 1
696 1 31 TYR H 1 32 ARG H . . 3.850 3.047 2.821 3.234 . 0 0 "[ . 1 . 2]" 1
697 1 31 TYR H 1 33 GLU H . . 5.480 4.415 4.249 4.628 . 0 0 "[ . 1 . 2]" 1
698 1 31 TYR H 1 33 GLU QB . . 5.500 5.375 5.154 5.580 0.080 6 0 "[ . 1 . 2]" 1
699 1 31 TYR H 1 86 MET ME . . 3.790 2.971 2.678 3.228 . 0 0 "[ . 1 . 2]" 1
700 1 31 TYR HA 1 31 TYR QD . . 3.240 2.448 2.289 2.758 . 0 0 "[ . 1 . 2]" 1
701 1 31 TYR HA 1 31 TYR QE . . 4.840 4.525 4.365 4.836 . 0 0 "[ . 1 . 2]" 1
702 1 31 TYR HA 1 34 ASN HB3 . . 5.060 4.920 4.406 5.155 0.095 11 0 "[ . 1 . 2]" 1
703 1 31 TYR HA 1 34 ASN HD21 . . 5.500 4.500 4.076 4.930 . 0 0 "[ . 1 . 2]" 1
704 1 31 TYR HA 1 38 TYR QE . . 5.040 3.277 2.750 3.842 . 0 0 "[ . 1 . 2]" 1
705 1 31 TYR HA 1 86 MET ME . . 4.150 4.062 3.765 4.238 0.088 20 0 "[ . 1 . 2]" 1
706 1 31 TYR HB2 1 32 ARG H . . 4.340 3.877 3.729 4.078 . 0 0 "[ . 1 . 2]" 1
707 1 31 TYR HB2 1 86 MET ME . . 3.790 2.912 2.527 3.176 . 0 0 "[ . 1 . 2]" 1
708 1 31 TYR HB3 1 32 ARG H . . 3.840 2.472 2.228 2.746 . 0 0 "[ . 1 . 2]" 1
709 1 31 TYR HB3 1 32 ARG HA . . 4.760 4.382 4.182 4.606 . 0 0 "[ . 1 . 2]" 1
710 1 31 TYR HB3 1 86 MET ME . . 4.580 3.971 3.536 4.269 . 0 0 "[ . 1 . 2]" 1
711 1 31 TYR QD 1 32 ARG H . . 3.950 3.451 3.047 3.741 . 0 0 "[ . 1 . 2]" 1
712 1 31 TYR QD 1 32 ARG HA . . 4.300 3.852 3.600 4.206 . 0 0 "[ . 1 . 2]" 1
713 1 31 TYR QD 1 32 ARG HG3 . . 3.940 3.473 2.777 4.929 0.989 11 2 "[- . 1+ . 2]" 1
714 1 31 TYR QD 1 35 MET ME . . 5.130 3.399 2.958 3.907 . 0 0 "[ . 1 . 2]" 1
715 1 31 TYR QD 1 38 TYR QE . . 3.330 2.319 2.095 2.736 . 0 0 "[ . 1 . 2]" 1
716 1 31 TYR QD 1 86 MET HB2 . . 4.110 3.746 2.921 4.172 0.062 3 0 "[ . 1 . 2]" 1
717 1 31 TYR QD 1 86 MET HB3 . . 3.610 2.493 2.135 3.010 . 0 0 "[ . 1 . 2]" 1
718 1 31 TYR QD 1 86 MET ME . . 4.290 4.361 4.116 4.413 0.123 19 0 "[ . 1 . 2]" 1
719 1 31 TYR QD 1 90 VAL QG . . 4.190 3.301 3.008 3.728 . 0 0 "[ . 1 . 2]" 1
720 1 31 TYR QE 1 32 ARG H . . 5.380 5.306 4.910 5.468 0.088 11 0 "[ . 1 . 2]" 1
721 1 31 TYR QE 1 32 ARG HA . . 5.150 4.556 4.128 4.921 . 0 0 "[ . 1 . 2]" 1
722 1 31 TYR QE 1 35 MET HA . . 4.670 3.490 3.050 4.035 . 0 0 "[ . 1 . 2]" 1
723 1 31 TYR QE 1 35 MET HB2 . . 5.220 3.780 3.405 4.147 . 0 0 "[ . 1 . 2]" 1
724 1 31 TYR QE 1 35 MET ME . . 3.480 2.602 2.373 2.934 . 0 0 "[ . 1 . 2]" 1
725 1 31 TYR QE 1 90 VAL H . . 4.740 4.807 4.549 4.850 0.110 17 0 "[ . 1 . 2]" 1
726 1 31 TYR QE 1 90 VAL HB . . 3.890 3.986 3.763 4.011 0.121 5 0 "[ . 1 . 2]" 1
727 1 31 TYR QE 1 90 VAL QG . . 3.150 1.882 1.823 1.985 . 0 0 "[ . 1 . 2]" 1
728 1 32 ARG H 1 32 ARG HB2 . . 3.820 2.403 2.055 2.836 . 0 0 "[ . 1 . 2]" 1
729 1 32 ARG H 1 32 ARG HB3 . . 3.880 3.550 3.317 3.705 . 0 0 "[ . 1 . 2]" 1
730 1 32 ARG H 1 32 ARG HD2 . . 5.220 4.680 4.103 5.241 0.021 17 0 "[ . 1 . 2]" 1
731 1 32 ARG H 1 32 ARG HG2 . . 4.310 3.587 2.700 4.333 0.023 17 0 "[ . 1 . 2]" 1
732 1 32 ARG H 1 32 ARG HG3 . . 3.290 2.575 1.986 3.361 0.071 20 0 "[ . 1 . 2]" 1
733 1 32 ARG H 1 86 MET ME . . 5.500 5.443 5.226 5.573 0.073 15 0 "[ . 1 . 2]" 1
734 1 32 ARG HA 1 32 ARG HD2 . . 4.870 4.510 3.752 4.829 . 0 0 "[ . 1 . 2]" 1
735 1 32 ARG HA 1 32 ARG HG2 . . 3.900 2.458 2.285 2.683 . 0 0 "[ . 1 . 2]" 1
736 1 32 ARG HA 1 32 ARG HG3 . . 3.460 2.903 2.421 3.704 0.244 11 0 "[ . 1 . 2]" 1
737 1 32 ARG HA 1 34 ASN H . . 5.500 4.850 3.998 5.239 . 0 0 "[ . 1 . 2]" 1
738 1 32 ARG HA 1 35 MET H . . 4.920 4.116 3.630 5.006 0.086 6 0 "[ . 1 . 2]" 1
739 1 32 ARG HA 1 35 MET HB3 . . 5.170 3.518 2.699 4.116 . 0 0 "[ . 1 . 2]" 1
740 1 32 ARG HA 1 35 MET ME . . 3.610 2.389 1.966 3.693 0.083 13 0 "[ . 1 . 2]" 1
741 1 32 ARG HA 1 35 MET QG . . 4.840 3.242 2.437 3.801 . 0 0 "[ . 1 . 2]" 1
742 1 32 ARG HB3 1 33 GLU HA . . 4.230 4.252 4.005 4.493 0.263 11 0 "[ . 1 . 2]" 1
743 1 32 ARG HB3 1 33 GLU QG . . 4.530 3.973 3.122 4.313 . 0 0 "[ . 1 . 2]" 1
744 1 32 ARG HG2 1 33 GLU H . . 5.070 5.044 4.788 5.147 0.077 13 0 "[ . 1 . 2]" 1
745 1 33 GLU H 1 33 GLU QB . . 3.120 2.388 2.186 2.677 . 0 0 "[ . 1 . 2]" 1
746 1 33 GLU H 1 33 GLU QG . . 3.680 2.567 2.351 2.712 . 0 0 "[ . 1 . 2]" 1
747 1 33 GLU H 1 34 ASN H . . 3.140 2.652 2.501 2.770 . 0 0 "[ . 1 . 2]" 1
748 1 33 GLU H 1 34 ASN HD21 . . 5.190 4.229 3.530 5.263 0.073 11 0 "[ . 1 . 2]" 1
749 1 33 GLU H 1 34 ASN HD22 . . 5.450 5.178 4.683 5.491 0.041 3 0 "[ . 1 . 2]" 1
750 1 33 GLU HA 1 33 GLU QG . . 3.400 2.423 2.134 2.635 . 0 0 "[ . 1 . 2]" 1
751 1 33 GLU HA 1 34 ASN HA . . 4.750 4.657 4.540 4.745 . 0 0 "[ . 1 . 2]" 1
752 1 33 GLU HA 1 35 MET H . . 4.840 4.360 4.090 4.580 . 0 0 "[ . 1 . 2]" 1
753 1 33 GLU HA 1 36 TYR QE . . 4.510 4.139 3.377 4.519 0.009 4 0 "[ . 1 . 2]" 1
754 1 33 GLU QB 1 34 ASN H . . 3.870 2.399 2.195 3.403 . 0 0 "[ . 1 . 2]" 1
755 1 33 GLU QB 1 34 ASN HD21 . . 4.590 2.766 2.155 3.688 . 0 0 "[ . 1 . 2]" 1
756 1 33 GLU QB 1 34 ASN HD22 . . 4.480 3.206 2.513 4.249 . 0 0 "[ . 1 . 2]" 1
757 1 33 GLU QB 1 36 TYR QE . . 3.850 3.914 3.568 3.967 0.117 13 0 "[ . 1 . 2]" 1
758 1 33 GLU QG 1 34 ASN H . . 5.380 4.073 3.878 4.482 . 0 0 "[ . 1 . 2]" 1
759 1 34 ASN H 1 34 ASN HB2 . . 3.980 2.637 2.306 3.637 . 0 0 "[ . 1 . 2]" 1
760 1 34 ASN H 1 34 ASN HB3 . . 3.820 3.516 2.930 3.810 . 0 0 "[ . 1 . 2]" 1
761 1 34 ASN H 1 34 ASN HD21 . . 4.130 2.497 2.007 3.760 . 0 0 "[ . 1 . 2]" 1
762 1 34 ASN H 1 34 ASN HD22 . . 4.560 3.635 3.354 3.933 . 0 0 "[ . 1 . 2]" 1
763 1 34 ASN H 1 35 MET H . . 3.360 2.806 2.053 3.441 0.081 17 0 "[ . 1 . 2]" 1
764 1 34 ASN H 1 35 MET HA . . 5.110 4.966 4.454 5.169 0.059 17 0 "[ . 1 . 2]" 1
765 1 34 ASN H 1 35 MET HB3 . . 5.180 4.866 4.029 5.241 0.061 11 0 "[ . 1 . 2]" 1
766 1 34 ASN HA 1 34 ASN HD22 . . 5.500 4.295 3.820 5.085 . 0 0 "[ . 1 . 2]" 1
767 1 34 ASN HA 1 35 MET HA . . 4.890 4.837 4.377 4.958 0.068 4 0 "[ . 1 . 2]" 1
768 1 34 ASN HA 1 36 TYR H . . 4.920 3.727 3.261 4.058 . 0 0 "[ . 1 . 2]" 1
769 1 34 ASN HA 1 36 TYR QD . . 3.730 3.624 3.190 3.822 0.092 2 0 "[ . 1 . 2]" 1
770 1 34 ASN HA 1 36 TYR QE . . 3.400 2.607 2.179 3.470 0.070 13 0 "[ . 1 . 2]" 1
771 1 34 ASN HA 1 37 ARG H . . 5.020 3.986 3.479 4.311 . 0 0 "[ . 1 . 2]" 1
772 1 34 ASN HB3 1 35 MET H . . 4.830 4.236 3.916 4.678 . 0 0 "[ . 1 . 2]" 1
773 1 35 MET H 1 35 MET HB2 . . 4.070 3.582 3.483 3.765 . 0 0 "[ . 1 . 2]" 1
774 1 35 MET H 1 35 MET HB3 . . 3.760 2.576 2.248 3.251 . 0 0 "[ . 1 . 2]" 1
775 1 35 MET H 1 35 MET ME . . 4.480 4.092 3.769 4.550 0.070 17 0 "[ . 1 . 2]" 1
776 1 35 MET H 1 35 MET QG . . 3.710 2.159 1.967 2.435 . 0 0 "[ . 1 . 2]" 1
777 1 35 MET H 1 36 TYR H . . 4.330 3.065 2.157 3.290 . 0 0 "[ . 1 . 2]" 1
778 1 35 MET H 1 36 TYR QD . . 5.500 3.936 2.419 4.747 . 0 0 "[ . 1 . 2]" 1
779 1 35 MET H 1 38 TYR QD . . 5.060 4.988 4.657 5.162 0.102 6 0 "[ . 1 . 2]" 1
780 1 35 MET HA 1 35 MET ME . . 4.680 4.110 3.974 4.301 . 0 0 "[ . 1 . 2]" 1
781 1 35 MET HA 1 36 TYR QD . . 5.270 5.140 4.779 5.376 0.106 12 0 "[ . 1 . 2]" 1
782 1 35 MET HA 1 37 ARG H . . 4.910 3.841 3.576 4.659 . 0 0 "[ . 1 . 2]" 1
783 1 35 MET HA 1 38 TYR H . . 4.390 3.771 3.390 4.067 . 0 0 "[ . 1 . 2]" 1
784 1 35 MET HA 1 38 TYR HB2 . . 4.620 4.038 3.282 4.439 . 0 0 "[ . 1 . 2]" 1
785 1 35 MET HA 1 38 TYR QD . . 3.010 2.447 2.168 2.800 . 0 0 "[ . 1 . 2]" 1
786 1 35 MET HA 1 38 TYR QE . . 3.750 2.578 2.138 3.834 0.084 13 0 "[ . 1 . 2]" 1
787 1 35 MET HB2 1 35 MET ME . . 3.020 2.378 2.149 2.791 . 0 0 "[ . 1 . 2]" 1
788 1 35 MET HB2 1 36 TYR H . . 5.290 3.986 3.688 4.323 . 0 0 "[ . 1 . 2]" 1
789 1 35 MET HB3 1 36 TYR H . . 4.830 4.330 4.107 4.557 . 0 0 "[ . 1 . 2]" 1
790 1 35 MET ME 1 35 MET QG . . 3.470 2.724 2.423 2.913 . 0 0 "[ . 1 . 2]" 1
791 1 35 MET ME 1 36 TYR H . . 5.500 5.281 5.017 5.576 0.076 6 0 "[ . 1 . 2]" 1
792 1 35 MET QG 1 36 TYR H . . 4.210 2.583 2.190 3.032 . 0 0 "[ . 1 . 2]" 1
793 1 35 MET QG 1 36 TYR QD . . 4.260 3.114 2.792 3.739 . 0 0 "[ . 1 . 2]" 1
794 1 35 MET QG 1 36 TYR QE . . 4.770 4.488 2.903 4.674 . 0 0 "[ . 1 . 2]" 1
795 1 36 TYR H 1 36 TYR HB2 . . 3.750 3.570 3.284 3.673 . 0 0 "[ . 1 . 2]" 1
796 1 36 TYR H 1 36 TYR HB3 . . 3.660 2.725 2.491 3.462 . 0 0 "[ . 1 . 2]" 1
797 1 36 TYR H 1 36 TYR QD . . 2.900 2.118 1.796 2.778 . 0 0 "[ . 1 . 2]" 1
798 1 36 TYR H 1 36 TYR QE . . 5.060 3.755 3.581 3.986 . 0 0 "[ . 1 . 2]" 1
799 1 36 TYR HA 1 36 TYR QD . . 4.240 3.732 3.276 3.799 . 0 0 "[ . 1 . 2]" 1
800 1 36 TYR HA 1 38 TYR H . . 4.780 3.988 3.505 4.630 . 0 0 "[ . 1 . 2]" 1
801 1 36 TYR HB2 1 37 ARG H . . 5.080 4.018 3.262 4.229 . 0 0 "[ . 1 . 2]" 1
802 1 36 TYR QD 1 37 ARG QD . . 5.020 4.014 2.183 4.850 . 0 0 "[ . 1 . 2]" 1
803 1 36 TYR QD 1 37 ARG HG2 . . 4.330 3.229 2.306 4.252 . 0 0 "[ . 1 . 2]" 1
804 1 36 TYR QD 1 37 ARG HG3 . . 4.540 3.870 2.175 4.638 0.098 4 0 "[ . 1 . 2]" 1
805 1 36 TYR QE 1 37 ARG QD . . 4.280 3.152 2.283 4.210 . 0 0 "[ . 1 . 2]" 1
806 1 36 TYR QE 1 37 ARG HG2 . . 3.970 3.081 2.653 4.069 0.099 13 0 "[ . 1 . 2]" 1
807 1 36 TYR QE 1 37 ARG HG3 . . 4.090 3.520 2.295 4.053 . 0 0 "[ . 1 . 2]" 1
808 1 37 ARG H 1 37 ARG HB2 . . 3.730 2.422 2.162 2.648 . 0 0 "[ . 1 . 2]" 1
809 1 37 ARG H 1 37 ARG HB3 . . 4.170 3.578 3.508 3.646 . 0 0 "[ . 1 . 2]" 1
810 1 37 ARG H 1 37 ARG QD . . 4.670 3.930 3.406 4.326 . 0 0 "[ . 1 . 2]" 1
811 1 37 ARG H 1 37 ARG HG2 . . 5.040 2.902 2.191 4.039 . 0 0 "[ . 1 . 2]" 1
812 1 37 ARG H 1 37 ARG HG3 . . 3.980 2.852 2.097 3.857 . 0 0 "[ . 1 . 2]" 1
813 1 37 ARG H 1 38 TYR H . . 3.410 2.613 2.431 2.745 . 0 0 "[ . 1 . 2]" 1
814 1 37 ARG H 1 38 TYR QD . . 5.500 4.513 4.276 4.776 . 0 0 "[ . 1 . 2]" 1
815 1 37 ARG HA 1 37 ARG QD . . 4.890 3.237 2.234 4.322 . 0 0 "[ . 1 . 2]" 1
816 1 37 ARG HA 1 37 ARG HG2 . . 3.610 2.626 2.359 3.336 . 0 0 "[ . 1 . 2]" 1
817 1 37 ARG HA 1 37 ARG HG3 . . 3.970 3.454 2.514 3.848 . 0 0 "[ . 1 . 2]" 1
818 1 37 ARG HA 1 38 TYR QD . . 5.310 5.207 4.806 5.419 0.109 1 0 "[ . 1 . 2]" 1
819 1 37 ARG HB2 1 38 TYR H . . 4.550 3.037 2.644 3.552 . 0 0 "[ . 1 . 2]" 1
820 1 37 ARG HB3 1 37 ARG HE . . 5.490 3.379 2.263 4.713 . 0 0 "[ . 1 . 2]" 1
821 1 37 ARG HB3 1 38 TYR H . . 4.780 3.930 3.517 4.391 . 0 0 "[ . 1 . 2]" 1
822 1 37 ARG HB3 1 79 PHE QD . . 4.100 3.588 2.611 4.177 0.077 13 0 "[ . 1 . 2]" 1
823 1 37 ARG HG2 1 38 TYR H . . 4.860 4.818 4.307 5.297 0.437 18 0 "[ . 1 . 2]" 1
824 1 37 ARG HG3 1 38 TYR H . . 5.500 4.799 4.170 5.565 0.065 17 0 "[ . 1 . 2]" 1
825 1 38 TYR H 1 38 TYR HB2 . . 3.590 2.580 2.290 2.744 . 0 0 "[ . 1 . 2]" 1
826 1 38 TYR H 1 38 TYR QD . . 4.260 3.106 2.785 3.465 . 0 0 "[ . 1 . 2]" 1
827 1 38 TYR HA 1 38 TYR QD . . 2.880 2.355 2.115 2.639 . 0 0 "[ . 1 . 2]" 1
828 1 38 TYR HA 1 39 PRO HD2 . . 4.040 2.457 2.165 2.727 . 0 0 "[ . 1 . 2]" 1
829 1 38 TYR HA 1 39 PRO HD3 . . 3.780 2.476 2.203 2.651 . 0 0 "[ . 1 . 2]" 1
830 1 38 TYR HA 1 39 PRO HG3 . . 5.150 4.646 4.407 4.791 . 0 0 "[ . 1 . 2]" 1
831 1 38 TYR HA 1 68 HIS HE1 . . 5.340 5.090 4.194 5.409 0.069 3 0 "[ . 1 . 2]" 1
832 1 38 TYR HA 1 79 PHE QE . . 4.710 4.404 3.946 4.794 0.084 1 0 "[ . 1 . 2]" 1
833 1 38 TYR HB2 1 90 VAL QG . . 5.230 3.126 2.691 3.852 . 0 0 "[ . 1 . 2]" 1
834 1 38 TYR HB3 1 90 VAL QG . . 4.020 2.844 2.340 3.450 . 0 0 "[ . 1 . 2]" 1
835 1 38 TYR QD 1 39 PRO HD2 . . 5.060 3.795 3.034 4.203 . 0 0 "[ . 1 . 2]" 1
836 1 38 TYR QD 1 39 PRO HD3 . . 4.950 4.266 3.807 4.623 . 0 0 "[ . 1 . 2]" 1
837 1 38 TYR QD 1 79 PHE QE . . 4.300 3.940 3.122 4.384 0.084 1 0 "[ . 1 . 2]" 1
838 1 38 TYR QD 1 86 MET HB2 . . 4.710 4.563 4.300 4.801 0.091 12 0 "[ . 1 . 2]" 1
839 1 38 TYR QD 1 87 MET H . . 4.810 4.284 3.860 4.853 0.043 13 0 "[ . 1 . 2]" 1
840 1 38 TYR QD 1 87 MET HA . . 5.190 3.552 2.776 3.995 . 0 0 "[ . 1 . 2]" 1
841 1 38 TYR QD 1 87 MET HB2 . . 3.650 2.605 2.170 3.498 . 0 0 "[ . 1 . 2]" 1
842 1 38 TYR QD 1 87 MET ME . . 3.880 3.280 2.141 3.944 0.064 10 0 "[ . 1 . 2]" 1
843 1 38 TYR QD 1 87 MET HG3 . . 4.650 3.636 2.271 4.644 . 0 0 "[ . 1 . 2]" 1
844 1 38 TYR QD 1 90 VAL QG . . 3.380 2.776 2.527 3.096 . 0 0 "[ . 1 . 2]" 1
845 1 38 TYR QD 1 91 VAL QG . . 5.490 4.949 4.593 5.417 . 0 0 "[ . 1 . 2]" 1
846 1 38 TYR QE 1 79 PHE QD . . 3.910 3.766 3.325 4.013 0.103 5 0 "[ . 1 . 2]" 1
847 1 38 TYR QE 1 79 PHE QE . . 5.060 4.757 3.270 5.160 0.100 15 0 "[ . 1 . 2]" 1
848 1 38 TYR QE 1 83 ASP HB3 . . 4.750 3.805 2.614 4.583 . 0 0 "[ . 1 . 2]" 1
849 1 38 TYR QE 1 86 MET H . . 4.470 4.564 4.547 4.578 0.108 1 0 "[ . 1 . 2]" 1
850 1 38 TYR QE 1 86 MET HB2 . . 3.760 2.985 2.320 3.303 . 0 0 "[ . 1 . 2]" 1
851 1 38 TYR QE 1 86 MET HB3 . . 4.910 3.137 2.378 4.037 . 0 0 "[ . 1 . 2]" 1
852 1 38 TYR QE 1 87 MET H . . 4.650 3.515 3.234 3.824 . 0 0 "[ . 1 . 2]" 1
853 1 38 TYR QE 1 87 MET HA . . 4.440 4.175 3.320 4.499 0.059 2 0 "[ . 1 . 2]" 1
854 1 38 TYR QE 1 87 MET HB2 . . 3.430 3.126 2.343 3.919 0.489 3 0 "[ . 1 . 2]" 1
855 1 38 TYR QE 1 87 MET ME . . 4.010 3.966 3.500 4.134 0.124 16 0 "[ . 1 . 2]" 1
856 1 38 TYR QE 1 90 VAL QG . . 3.870 3.645 3.424 3.818 . 0 0 "[ . 1 . 2]" 1
857 1 39 PRO HA 1 40 ASN H . . 2.940 2.214 2.140 2.353 . 0 0 "[ . 1 . 2]" 1
858 1 39 PRO HA 1 40 ASN HA . . 4.950 4.434 4.371 4.496 . 0 0 "[ . 1 . 2]" 1
859 1 39 PRO HA 1 41 GLN H . . 3.850 3.823 3.529 3.922 0.072 15 0 "[ . 1 . 2]" 1
860 1 39 PRO HA 1 68 HIS HE1 . . 4.170 3.711 2.889 4.112 . 0 0 "[ . 1 . 2]" 1
861 1 39 PRO HB2 1 40 ASN H . . 4.400 3.316 2.774 3.775 . 0 0 "[ . 1 . 2]" 1
862 1 39 PRO HB2 1 41 GLN H . . 3.800 2.377 2.075 2.762 . 0 0 "[ . 1 . 2]" 1
863 1 39 PRO HB2 1 64 THR MG . . 4.470 3.751 2.804 4.292 . 0 0 "[ . 1 . 2]" 1
864 1 39 PRO HB2 1 68 HIS HE1 . . 5.130 4.678 4.029 5.211 0.081 9 0 "[ . 1 . 2]" 1
865 1 39 PRO HB2 1 91 VAL QG . . 4.740 4.439 3.654 4.705 . 0 0 "[ . 1 . 2]" 1
866 1 39 PRO HB3 1 40 ASN H . . 3.920 3.768 3.181 3.992 0.072 6 0 "[ . 1 . 2]" 1
867 1 39 PRO HB3 1 41 GLN H . . 4.060 3.933 3.445 4.133 0.073 2 0 "[ . 1 . 2]" 1
868 1 39 PRO HB3 1 41 GLN HG2 . . 4.740 4.181 3.599 4.808 0.068 8 0 "[ . 1 . 2]" 1
869 1 39 PRO HB3 1 64 THR MG . . 4.610 4.165 2.900 4.708 0.098 20 0 "[ . 1 . 2]" 1
870 1 39 PRO HB3 1 68 HIS HD2 . . 5.070 4.239 3.205 4.887 . 0 0 "[ . 1 . 2]" 1
871 1 39 PRO HB3 1 68 HIS HE1 . . 4.280 2.949 2.284 3.786 . 0 0 "[ . 1 . 2]" 1
872 1 39 PRO HD2 1 68 HIS HE1 . . 5.490 5.089 4.660 5.539 0.049 10 0 "[ . 1 . 2]" 1
873 1 39 PRO HD2 1 87 MET HG3 . . 5.390 2.916 1.992 4.669 . 0 0 "[ . 1 . 2]" 1
874 1 39 PRO HD2 1 90 VAL QG . . 4.710 4.015 3.527 4.456 . 0 0 "[ . 1 . 2]" 1
875 1 39 PRO HD2 1 91 VAL QG . . 4.640 3.446 2.970 4.067 . 0 0 "[ . 1 . 2]" 1
876 1 39 PRO HD3 1 68 HIS HE1 . . 5.150 3.428 2.978 3.989 . 0 0 "[ . 1 . 2]" 1
877 1 39 PRO HD3 1 79 PHE QE . . 5.500 4.750 4.456 5.588 0.088 18 0 "[ . 1 . 2]" 1
878 1 39 PRO HD3 1 87 MET HG3 . . 5.390 4.239 2.610 5.466 0.076 3 0 "[ . 1 . 2]" 1
879 1 39 PRO HG2 1 41 GLN H . . 4.990 3.794 3.186 4.919 . 0 0 "[ . 1 . 2]" 1
880 1 39 PRO HG2 1 90 VAL QG . . 5.460 4.452 3.784 4.898 . 0 0 "[ . 1 . 2]" 1
881 1 39 PRO HG2 1 91 VAL QG . . 3.820 2.895 2.333 3.171 . 0 0 "[ . 1 . 2]" 1
882 1 39 PRO HG3 1 68 HIS HB3 . . 5.180 4.810 4.410 5.210 0.030 4 0 "[ . 1 . 2]" 1
883 1 39 PRO HG3 1 68 HIS HD2 . . 4.050 3.213 2.718 3.738 . 0 0 "[ . 1 . 2]" 1
884 1 39 PRO HG3 1 68 HIS HE1 . . 4.990 4.044 3.545 5.027 0.037 6 0 "[ . 1 . 2]" 1
885 1 39 PRO HG3 1 87 MET ME . . 5.240 4.791 4.056 5.334 0.094 1 0 "[ . 1 . 2]" 1
886 1 39 PRO HG3 1 91 VAL QG . . 4.410 3.670 3.228 4.210 . 0 0 "[ . 1 . 2]" 1
887 1 40 ASN H 1 40 ASN HD21 . . 5.500 4.634 3.528 5.080 . 0 0 "[ . 1 . 2]" 1
888 1 40 ASN H 1 41 GLN H . . 3.050 2.858 2.423 3.114 0.064 16 0 "[ . 1 . 2]" 1
889 1 40 ASN H 1 41 GLN HA . . 5.500 5.275 4.899 5.465 . 0 0 "[ . 1 . 2]" 1
890 1 40 ASN HA 1 94 MET ME . . 3.370 3.237 2.660 3.469 0.099 15 0 "[ . 1 . 2]" 1
891 1 41 GLN H 1 41 GLN HG2 . . 5.180 2.655 2.384 2.838 . 0 0 "[ . 1 . 2]" 1
892 1 41 GLN H 1 41 GLN HG3 . . 5.040 3.656 3.143 4.125 . 0 0 "[ . 1 . 2]" 1
893 1 41 GLN H 1 42 VAL H . . 5.020 4.335 4.231 4.428 . 0 0 "[ . 1 . 2]" 1
894 1 41 GLN H 1 42 VAL QG . . 5.060 4.009 3.669 4.727 . 0 0 "[ . 1 . 2]" 1
895 1 41 GLN H 1 94 MET ME . . 4.140 3.024 2.440 3.509 . 0 0 "[ . 1 . 2]" 1
896 1 41 GLN HA 1 42 VAL H . . 3.160 2.594 2.494 2.749 . 0 0 "[ . 1 . 2]" 1
897 1 41 GLN HA 1 42 VAL QG . . 5.050 3.223 2.828 3.904 . 0 0 "[ . 1 . 2]" 1
898 1 41 GLN HA 1 94 MET ME . . 4.810 3.328 2.570 4.202 . 0 0 "[ . 1 . 2]" 1
899 1 41 GLN HB2 1 41 GLN HE21 . . 4.650 2.251 1.953 2.480 . 0 0 "[ . 1 . 2]" 1
900 1 41 GLN HB2 1 41 GLN HE22 . . 4.700 3.783 3.574 4.054 . 0 0 "[ . 1 . 2]" 1
901 1 41 GLN HB2 1 42 VAL H . . 4.270 2.403 2.122 2.750 . 0 0 "[ . 1 . 2]" 1
902 1 41 GLN HB3 1 41 GLN HE22 . . 5.010 3.623 3.444 3.962 . 0 0 "[ . 1 . 2]" 1
903 1 41 GLN HB3 1 42 VAL H . . 4.370 3.797 3.519 4.089 . 0 0 "[ . 1 . 2]" 1
904 1 41 GLN HG2 1 42 VAL H . . 5.060 4.441 3.895 5.013 . 0 0 "[ . 1 . 2]" 1
905 1 42 VAL H 1 42 VAL QG . . 3.270 2.329 2.201 2.731 . 0 0 "[ . 1 . 2]" 1
906 1 42 VAL H 1 64 THR MG . . 5.500 4.777 4.387 5.498 . 0 0 "[ . 1 . 2]" 1
907 1 42 VAL HA 1 43 TYR H . . 3.480 2.372 2.131 2.607 . 0 0 "[ . 1 . 2]" 1
908 1 42 VAL HA 1 43 TYR QD . . 4.420 4.047 3.212 4.416 . 0 0 "[ . 1 . 2]" 1
909 1 42 VAL HA 1 43 TYR QE . . 5.130 4.772 4.258 5.191 0.061 19 0 "[ . 1 . 2]" 1
910 1 42 VAL HA 1 64 THR MG . . 3.350 2.360 1.961 3.101 . 0 0 "[ . 1 . 2]" 1
911 1 42 VAL HA 1 91 VAL QG . . 5.400 3.670 3.123 4.091 . 0 0 "[ . 1 . 2]" 1
912 1 42 VAL HB 1 43 TYR H . . 3.810 2.828 2.278 3.904 0.094 20 0 "[ . 1 . 2]" 1
913 1 42 VAL HB 1 64 THR MG . . 3.980 3.178 2.574 4.076 0.096 20 0 "[ . 1 . 2]" 1
914 1 42 VAL HB 1 91 VAL QG . . 5.080 3.133 2.469 4.215 . 0 0 "[ . 1 . 2]" 1
915 1 42 VAL QG 1 43 TYR H . . 4.670 2.988 2.093 3.434 . 0 0 "[ . 1 . 2]" 1
916 1 42 VAL QG 1 44 TYR QD . . 3.280 2.991 2.501 3.366 0.086 10 0 "[ . 1 . 2]" 1
917 1 42 VAL QG 1 44 TYR QE . . 5.010 4.137 3.328 4.775 . 0 0 "[ . 1 . 2]" 1
918 1 42 VAL QG 1 64 THR MG . . 3.690 2.308 1.969 3.184 . 0 0 "[ . 1 . 2]" 1
919 1 42 VAL QG 1 94 MET H . . 4.610 4.037 3.815 4.357 . 0 0 "[ . 1 . 2]" 1
920 1 42 VAL QG 1 94 MET HA . . 5.250 4.150 3.980 4.396 . 0 0 "[ . 1 . 2]" 1
921 1 42 VAL QG 1 94 MET HB2 . . 3.470 2.431 2.198 2.730 . 0 0 "[ . 1 . 2]" 1
922 1 42 VAL QG 1 94 MET HB3 . . 3.680 2.708 2.532 2.998 . 0 0 "[ . 1 . 2]" 1
923 1 42 VAL QG 1 94 MET ME . . 2.900 2.185 1.930 2.916 0.016 6 0 "[ . 1 . 2]" 1
924 1 42 VAL QG 1 94 MET HG3 . . 5.120 4.145 3.754 4.517 . 0 0 "[ . 1 . 2]" 1
925 1 42 VAL QG 1 95 CYS H . . 4.350 3.194 2.844 3.523 . 0 0 "[ . 1 . 2]" 1
926 1 42 VAL QG 1 95 CYS HA . . 3.680 2.306 2.048 2.722 . 0 0 "[ . 1 . 2]" 1
927 1 42 VAL QG 1 95 CYS HB3 . . 5.360 3.673 3.406 4.029 . 0 0 "[ . 1 . 2]" 1
928 1 42 VAL QG 1 98 GLN H . . 4.800 3.976 3.593 4.235 . 0 0 "[ . 1 . 2]" 1
929 1 42 VAL QG 1 98 GLN HA . . 4.910 4.505 4.260 4.747 . 0 0 "[ . 1 . 2]" 1
930 1 42 VAL QG 1 98 GLN HB2 . . 4.150 2.595 2.301 2.823 . 0 0 "[ . 1 . 2]" 1
931 1 42 VAL QG 1 98 GLN HB3 . . 5.000 3.032 2.754 3.353 . 0 0 "[ . 1 . 2]" 1
932 1 42 VAL QG 1 98 GLN HG2 . . 3.960 2.419 2.154 2.789 . 0 0 "[ . 1 . 2]" 1
933 1 42 VAL QG 1 98 GLN HG3 . . 4.220 3.797 3.516 4.140 . 0 0 "[ . 1 . 2]" 1
934 1 42 VAL QG 1 99 TYR H . . 5.500 4.991 4.779 5.258 . 0 0 "[ . 1 . 2]" 1
935 1 43 TYR H 1 43 TYR HB2 . . 3.400 2.578 2.410 2.866 . 0 0 "[ . 1 . 2]" 1
936 1 43 TYR H 1 43 TYR QD . . 3.680 2.981 2.153 3.485 . 0 0 "[ . 1 . 2]" 1
937 1 43 TYR H 1 43 TYR QE . . 4.650 4.652 4.275 4.744 0.094 20 0 "[ . 1 . 2]" 1
938 1 43 TYR H 1 44 TYR H . . 4.610 4.577 4.424 4.669 0.059 20 0 "[ . 1 . 2]" 1
939 1 43 TYR H 1 63 ILE MG . . 5.370 4.535 4.109 5.362 . 0 0 "[ . 1 . 2]" 1
940 1 43 TYR H 1 64 THR H . . 5.230 4.615 4.146 5.266 0.036 6 0 "[ . 1 . 2]" 1
941 1 43 TYR H 1 64 THR HA . . 5.040 4.087 3.455 5.049 0.009 6 0 "[ . 1 . 2]" 1
942 1 43 TYR H 1 64 THR HB . . 4.810 4.232 3.772 4.856 0.046 6 0 "[ . 1 . 2]" 1
943 1 43 TYR H 1 64 THR MG . . 3.880 2.982 2.287 3.868 . 0 0 "[ . 1 . 2]" 1
944 1 43 TYR HA 1 43 TYR QD . . 3.970 2.566 2.155 2.988 . 0 0 "[ . 1 . 2]" 1
945 1 43 TYR HA 1 43 TYR QE . . 4.730 4.618 4.172 4.798 0.068 7 0 "[ . 1 . 2]" 1
946 1 43 TYR HA 1 44 TYR H . . 3.350 2.593 2.402 2.794 . 0 0 "[ . 1 . 2]" 1
947 1 43 TYR HA 1 44 TYR QD . . 3.900 3.212 2.832 3.607 . 0 0 "[ . 1 . 2]" 1
948 1 43 TYR HA 1 44 TYR QE . . 4.900 4.348 3.930 4.764 . 0 0 "[ . 1 . 2]" 1
949 1 43 TYR HB2 1 63 ILE MG . . 3.590 2.556 2.195 3.127 . 0 0 "[ . 1 . 2]" 1
950 1 43 TYR HB2 1 64 THR H . . 5.250 4.183 3.467 4.637 . 0 0 "[ . 1 . 2]" 1
951 1 43 TYR HB2 1 64 THR HA . . 4.360 3.790 2.984 4.430 0.070 6 0 "[ . 1 . 2]" 1
952 1 43 TYR HB3 1 44 TYR H . . 4.490 2.457 2.216 2.819 . 0 0 "[ . 1 . 2]" 1
953 1 43 TYR HB3 1 63 ILE MG . . 4.680 3.146 2.581 3.603 . 0 0 "[ . 1 . 2]" 1
954 1 43 TYR QD 1 44 TYR H . . 4.240 4.028 3.802 4.253 0.013 20 0 "[ . 1 . 2]" 1
955 1 43 TYR QD 1 63 ILE MG . . 3.780 2.842 2.391 3.442 . 0 0 "[ . 1 . 2]" 1
956 1 43 TYR QD 1 64 THR H . . 4.810 3.934 3.293 4.452 . 0 0 "[ . 1 . 2]" 1
957 1 43 TYR QD 1 64 THR HA . . 3.240 2.070 1.965 2.288 . 0 0 "[ . 1 . 2]" 1
958 1 43 TYR QD 1 64 THR MG . . 3.430 2.869 2.237 3.517 0.087 9 0 "[ . 1 . 2]" 1
959 1 43 TYR QD 1 67 GLN H . . 5.120 4.809 4.063 5.161 0.041 15 0 "[ . 1 . 2]" 1
960 1 43 TYR QD 1 67 GLN HB2 . . 4.950 3.487 2.611 3.818 . 0 0 "[ . 1 . 2]" 1
961 1 43 TYR QD 1 67 GLN HB3 . . 4.760 4.549 3.719 4.853 0.093 19 0 "[ . 1 . 2]" 1
962 1 43 TYR QE 1 63 ILE MG . . 4.540 4.405 3.808 4.666 0.126 13 0 "[ . 1 . 2]" 1
963 1 43 TYR QE 1 64 THR HA . . 3.690 3.005 2.235 3.704 0.014 3 0 "[ . 1 . 2]" 1
964 1 43 TYR QE 1 64 THR MG . . 3.850 3.113 2.439 3.887 0.037 3 0 "[ . 1 . 2]" 1
965 1 43 TYR QE 1 67 GLN H . . 5.500 4.793 4.304 5.380 . 0 0 "[ . 1 . 2]" 1
966 1 43 TYR QE 1 67 GLN HB2 . . 3.620 2.577 2.132 3.201 . 0 0 "[ . 1 . 2]" 1
967 1 43 TYR QE 1 67 GLN HB3 . . 3.770 2.969 2.270 3.682 . 0 0 "[ . 1 . 2]" 1
968 1 43 TYR QE 1 67 GLN QG . . 4.000 2.899 2.332 3.482 . 0 0 "[ . 1 . 2]" 1
969 1 44 TYR H 1 44 TYR QD . . 3.470 3.382 2.908 3.547 0.077 3 0 "[ . 1 . 2]" 1
970 1 44 TYR H 1 44 TYR QE . . 4.860 4.709 4.332 4.943 0.083 20 0 "[ . 1 . 2]" 1
971 1 44 TYR HA 1 44 TYR QD . . 4.180 3.772 3.726 3.826 . 0 0 "[ . 1 . 2]" 1
972 1 44 TYR HA 1 45 ARG H . . 3.570 2.433 2.354 2.564 . 0 0 "[ . 1 . 2]" 1
973 1 44 TYR HA 1 56 PHE HZ . . 4.940 4.826 4.464 5.014 0.074 12 0 "[ . 1 . 2]" 1
974 1 44 TYR HB2 1 45 ARG H . . 3.970 2.237 2.029 2.377 . 0 0 "[ . 1 . 2]" 1
975 1 44 TYR HB2 1 56 PHE QE . . 4.140 2.614 2.157 3.209 . 0 0 "[ . 1 . 2]" 1
976 1 44 TYR HB2 1 56 PHE HZ . . 3.740 2.738 2.515 2.954 . 0 0 "[ . 1 . 2]" 1
977 1 44 TYR HB3 1 45 ARG H . . 4.340 3.577 3.409 3.714 . 0 0 "[ . 1 . 2]" 1
978 1 44 TYR HB3 1 56 PHE HZ . . 4.000 2.859 2.524 3.107 . 0 0 "[ . 1 . 2]" 1
979 1 44 TYR QD 1 45 ARG H . . 3.810 3.353 3.160 3.475 . 0 0 "[ . 1 . 2]" 1
980 1 44 TYR QD 1 46 PRO HA . . 4.080 3.406 2.918 3.673 . 0 0 "[ . 1 . 2]" 1
981 1 44 TYR QD 1 56 PHE QE . . 3.460 2.922 2.473 3.472 0.012 12 0 "[ . 1 . 2]" 1
982 1 44 TYR QD 1 56 PHE HZ . . 3.830 3.504 3.171 3.766 . 0 0 "[ . 1 . 2]" 1
983 1 44 TYR QD 1 102 GLU HG2 . . 4.480 4.270 2.721 5.347 0.867 18 2 "[ . 1 - . + 2]" 1
984 1 44 TYR QE 1 45 ARG H . . 5.500 5.567 5.370 5.602 0.102 16 0 "[ . 1 . 2]" 1
985 1 44 TYR QE 1 56 PHE QE . . 4.480 4.537 4.241 4.598 0.118 5 0 "[ . 1 . 2]" 1
986 1 44 TYR QE 1 102 GLU HG2 . . 3.820 3.683 2.459 4.327 0.507 18 1 "[ . 1 . + 2]" 1
987 1 45 ARG H 1 45 ARG HB2 . . 4.180 2.568 2.346 3.218 . 0 0 "[ . 1 . 2]" 1
988 1 45 ARG H 1 45 ARG HG2 . . 5.230 4.249 3.203 4.826 . 0 0 "[ . 1 . 2]" 1
989 1 45 ARG H 1 45 ARG HG3 . . 4.870 3.421 2.676 4.393 . 0 0 "[ . 1 . 2]" 1
990 1 45 ARG H 1 50 TYR QE . . 5.250 4.280 3.664 5.000 . 0 0 "[ . 1 . 2]" 1
991 1 45 ARG HA 1 45 ARG HD2 . . 5.060 4.570 4.138 4.828 . 0 0 "[ . 1 . 2]" 1
992 1 45 ARG HA 1 45 ARG HD3 . . 5.030 4.671 4.439 5.121 0.091 6 0 "[ . 1 . 2]" 1
993 1 45 ARG HA 1 46 PRO HD2 . . 3.970 2.938 2.577 3.391 . 0 0 "[ . 1 . 2]" 1
994 1 45 ARG HA 1 46 PRO HD3 . . 3.490 2.295 2.138 2.482 . 0 0 "[ . 1 . 2]" 1
995 1 45 ARG HB2 1 45 ARG HD2 . . 4.140 3.446 2.290 3.878 . 0 0 "[ . 1 . 2]" 1
996 1 45 ARG HB2 1 45 ARG HD3 . . 4.120 2.873 2.288 3.882 . 0 0 "[ . 1 . 2]" 1
997 1 45 ARG HB2 1 46 PRO HD2 . . 4.370 3.658 2.404 4.203 . 0 0 "[ . 1 . 2]" 1
998 1 45 ARG HB2 1 46 PRO HD3 . . 4.600 4.393 3.271 4.667 0.067 18 0 "[ . 1 . 2]" 1
999 1 45 ARG HB2 1 50 TYR QE . . 3.190 2.658 2.087 3.681 0.491 14 0 "[ . 1 . 2]" 1
1000 1 45 ARG HB3 1 45 ARG HD2 . . 4.190 3.480 2.476 3.927 . 0 0 "[ . 1 . 2]" 1
1001 1 45 ARG HB3 1 45 ARG HD3 . . 4.130 3.205 2.646 4.055 . 0 0 "[ . 1 . 2]" 1
1002 1 45 ARG HB3 1 46 PRO HD2 . . 4.460 2.235 2.042 2.989 . 0 0 "[ . 1 . 2]" 1
1003 1 45 ARG HB3 1 46 PRO HD3 . . 4.420 3.245 2.311 3.839 . 0 0 "[ . 1 . 2]" 1
1004 1 45 ARG HB3 1 50 TYR QE . . 3.610 2.528 2.021 3.689 0.079 6 0 "[ . 1 . 2]" 1
1005 1 45 ARG HD2 1 63 ILE MD . . 5.500 4.724 3.708 5.583 0.083 2 0 "[ . 1 . 2]" 1
1006 1 45 ARG HD3 1 63 ILE MD . . 5.500 4.870 4.117 5.502 0.002 14 0 "[ . 1 . 2]" 1
1007 1 45 ARG HG2 1 46 PRO HD3 . . 5.350 3.624 2.492 4.781 . 0 0 "[ . 1 . 2]" 1
1008 1 45 ARG HG2 1 50 TYR QE . . 4.790 4.518 3.475 4.883 0.093 2 0 "[ . 1 . 2]" 1
1009 1 45 ARG HG3 1 46 PRO HD2 . . 4.960 4.335 3.496 4.933 . 0 0 "[ . 1 . 2]" 1
1010 1 45 ARG HG3 1 50 TYR QE . . 4.650 4.579 3.602 4.908 0.258 12 0 "[ . 1 . 2]" 1
1011 1 46 PRO HA 1 47 VAL H . . 3.060 2.181 2.100 2.276 . 0 0 "[ . 1 . 2]" 1
1012 1 46 PRO HA 1 47 VAL HA . . 4.910 4.404 4.241 4.472 . 0 0 "[ . 1 . 2]" 1
1013 1 46 PRO HA 1 47 VAL QG . . 4.570 3.397 3.156 3.589 . 0 0 "[ . 1 . 2]" 1
1014 1 46 PRO HA 1 50 TYR QE . . 4.870 4.951 4.891 4.973 0.103 12 0 "[ . 1 . 2]" 1
1015 1 46 PRO HB2 1 48 SER H . . 4.860 2.732 2.344 4.909 0.049 12 0 "[ . 1 . 2]" 1
1016 1 46 PRO HD2 1 49 GLN HE21 . . 5.250 3.245 2.383 5.128 . 0 0 "[ . 1 . 2]" 1
1017 1 46 PRO HD2 1 49 GLN HE22 . . 4.810 3.068 2.028 4.889 0.079 17 0 "[ . 1 . 2]" 1
1018 1 46 PRO HD3 1 50 TYR QE . . 5.500 4.928 4.397 5.454 . 0 0 "[ . 1 . 2]" 1
1019 1 46 PRO HG2 1 49 GLN HE21 . . 5.500 3.216 2.287 5.555 0.055 20 0 "[ . 1 . 2]" 1
1020 1 47 VAL H 1 47 VAL HB . . 3.500 2.808 2.374 3.533 0.033 14 0 "[ . 1 . 2]" 1
1021 1 47 VAL H 1 47 VAL QG . . 3.420 1.857 1.701 2.046 . 0 0 "[ . 1 . 2]" 1
1022 1 47 VAL H 1 48 SER H . . 3.980 3.031 2.851 3.607 . 0 0 "[ . 1 . 2]" 1
1023 1 47 VAL H 1 50 TYR QD . . 4.570 4.264 3.844 4.527 . 0 0 "[ . 1 . 2]" 1
1024 1 47 VAL H 1 50 TYR QE . . 5.500 5.014 4.778 5.224 . 0 0 "[ . 1 . 2]" 1
1025 1 47 VAL H 1 56 PHE QE . . 5.370 3.260 2.980 3.782 . 0 0 "[ . 1 . 2]" 1
1026 1 47 VAL H 1 99 TYR QD . . 5.200 5.292 5.276 5.310 0.110 3 0 "[ . 1 . 2]" 1
1027 1 47 VAL H 1 106 TYR QD . . 5.240 5.195 4.657 5.340 0.100 13 0 "[ . 1 . 2]" 1
1028 1 47 VAL HA 1 49 GLN QG . . 4.950 3.988 3.667 4.840 . 0 0 "[ . 1 . 2]" 1
1029 1 47 VAL HA 1 50 TYR H . . 3.960 3.060 2.265 3.850 . 0 0 "[ . 1 . 2]" 1
1030 1 47 VAL HA 1 50 TYR QD . . 3.170 2.159 1.992 2.370 . 0 0 "[ . 1 . 2]" 1
1031 1 47 VAL HA 1 50 TYR QE . . 4.050 3.965 3.651 4.153 0.103 5 0 "[ . 1 . 2]" 1
1032 1 47 VAL HA 1 56 PHE QD . . 4.160 2.980 2.553 3.531 . 0 0 "[ . 1 . 2]" 1
1033 1 47 VAL HA 1 56 PHE QE . . 4.820 4.326 3.952 4.870 0.050 5 0 "[ . 1 . 2]" 1
1034 1 47 VAL HA 1 99 TYR QD . . 5.420 4.775 4.507 5.106 . 0 0 "[ . 1 . 2]" 1
1035 1 47 VAL HA 1 99 TYR QE . . 5.000 4.401 3.861 4.972 . 0 0 "[ . 1 . 2]" 1
1036 1 47 VAL HB 1 48 SER H . . 4.910 4.369 3.739 4.575 . 0 0 "[ . 1 . 2]" 1
1037 1 47 VAL HB 1 50 TYR QD . . 4.800 4.444 4.123 4.871 0.071 4 0 "[ . 1 . 2]" 1
1038 1 47 VAL HB 1 99 TYR HA . . 5.170 4.800 4.243 5.280 0.110 4 0 "[ . 1 . 2]" 1
1039 1 47 VAL HB 1 99 TYR QD . . 4.780 3.337 2.983 4.292 . 0 0 "[ . 1 . 2]" 1
1040 1 47 VAL HB 1 99 TYR QE . . 4.160 3.151 2.591 3.601 . 0 0 "[ . 1 . 2]" 1
1041 1 47 VAL QG 1 48 SER H . . 3.770 2.863 1.751 3.384 . 0 0 "[ . 1 . 2]" 1
1042 1 47 VAL QG 1 48 SER HA . . 4.540 3.644 2.959 4.438 . 0 0 "[ . 1 . 2]" 1
1043 1 47 VAL QG 1 49 GLN H . . 5.500 4.116 2.972 4.680 . 0 0 "[ . 1 . 2]" 1
1044 1 47 VAL QG 1 50 TYR H . . 5.500 3.611 3.049 4.204 . 0 0 "[ . 1 . 2]" 1
1045 1 47 VAL QG 1 50 TYR QB . . 4.450 2.430 2.046 3.117 . 0 0 "[ . 1 . 2]" 1
1046 1 47 VAL QG 1 50 TYR QD . . 3.970 3.656 3.078 3.870 . 0 0 "[ . 1 . 2]" 1
1047 1 47 VAL QG 1 51 SER HB2 . . 5.450 4.926 4.460 5.476 0.026 11 0 "[ . 1 . 2]" 1
1048 1 47 VAL QG 1 51 SER HB3 . . 5.240 5.098 3.981 5.457 0.217 12 0 "[ . 1 . 2]" 1
1049 1 47 VAL QG 1 52 ASN H . . 5.480 4.324 3.078 5.458 . 0 0 "[ . 1 . 2]" 1
1050 1 47 VAL QG 1 56 PHE QD . . 4.390 3.144 2.162 4.109 . 0 0 "[ . 1 . 2]" 1
1051 1 47 VAL QG 1 99 TYR HA . . 4.580 3.790 2.684 4.369 . 0 0 "[ . 1 . 2]" 1
1052 1 47 VAL QG 1 99 TYR QD . . 3.250 2.800 1.933 3.259 0.009 7 0 "[ . 1 . 2]" 1
1053 1 47 VAL QG 1 99 TYR QE . . 3.030 2.099 1.938 2.604 . 0 0 "[ . 1 . 2]" 1
1054 1 47 VAL QG 1 102 GLU H . . 5.270 4.669 3.851 5.121 . 0 0 "[ . 1 . 2]" 1
1055 1 47 VAL QG 1 102 GLU HA . . 4.800 4.315 3.800 4.745 . 0 0 "[ . 1 . 2]" 1
1056 1 47 VAL QG 1 102 GLU HB2 . . 3.650 3.037 2.114 3.584 . 0 0 "[ . 1 . 2]" 1
1057 1 47 VAL QG 1 102 GLU HB3 . . 4.000 2.902 2.098 4.009 0.009 17 0 "[ . 1 . 2]" 1
1058 1 47 VAL QG 1 102 GLU HG2 . . 5.060 4.609 3.123 5.415 0.355 18 0 "[ . 1 . 2]" 1
1059 1 47 VAL QG 1 102 GLU HG3 . . 5.500 4.421 3.671 4.978 . 0 0 "[ . 1 . 2]" 1
1060 1 47 VAL QG 1 103 SER H . . 4.100 3.422 2.866 3.751 . 0 0 "[ . 1 . 2]" 1
1061 1 47 VAL QG 1 103 SER HA . . 3.690 2.217 1.991 2.470 . 0 0 "[ . 1 . 2]" 1
1062 1 47 VAL QG 1 103 SER HB2 . . 4.540 3.994 3.153 4.527 . 0 0 "[ . 1 . 2]" 1
1063 1 47 VAL QG 1 104 GLN H . . 5.500 4.864 4.581 5.108 . 0 0 "[ . 1 . 2]" 1
1064 1 47 VAL QG 1 106 TYR H . . 5.170 4.072 3.718 4.497 . 0 0 "[ . 1 . 2]" 1
1065 1 47 VAL QG 1 106 TYR HB2 . . 4.570 2.306 2.097 2.870 . 0 0 "[ . 1 . 2]" 1
1066 1 47 VAL QG 1 106 TYR HB3 . . 4.680 2.323 2.150 2.512 . 0 0 "[ . 1 . 2]" 1
1067 1 47 VAL QG 1 106 TYR QD . . 3.380 2.644 2.247 2.878 . 0 0 "[ . 1 . 2]" 1
1068 1 47 VAL QG 1 106 TYR QE . . 3.940 3.304 2.595 3.906 . 0 0 "[ . 1 . 2]" 1
1069 1 47 VAL QG 1 107 TYR H . . 5.500 4.377 3.982 4.732 . 0 0 "[ . 1 . 2]" 1
1070 1 48 SER H 1 48 SER HB3 . . 4.000 2.743 2.075 3.619 . 0 0 "[ . 1 . 2]" 1
1071 1 48 SER H 1 49 GLN H . . 5.010 2.997 2.729 3.383 . 0 0 "[ . 1 . 2]" 1
1072 1 48 SER HA 1 106 TYR QE . . 4.140 2.155 1.870 2.550 . 0 0 "[ . 1 . 2]" 1
1073 1 48 SER HB2 1 49 GLN H . . 5.090 3.926 3.274 4.553 . 0 0 "[ . 1 . 2]" 1
1074 1 48 SER HB2 1 106 TYR QE . . 4.240 4.094 3.279 4.563 0.323 13 0 "[ . 1 . 2]" 1
1075 1 48 SER HB3 1 106 TYR QD . . 4.910 3.012 2.036 4.015 . 0 0 "[ . 1 . 2]" 1
1076 1 48 SER HB3 1 106 TYR QE . . 4.480 3.980 3.090 4.521 0.041 16 0 "[ . 1 . 2]" 1
1077 1 49 GLN H 1 49 GLN HB2 . . 4.050 3.727 2.637 4.104 0.054 10 0 "[ . 1 . 2]" 1
1078 1 49 GLN H 1 49 GLN HB3 . . 3.800 2.733 1.957 3.412 . 0 0 "[ . 1 . 2]" 1
1079 1 49 GLN H 1 49 GLN QG . . 4.170 2.424 1.846 3.643 . 0 0 "[ . 1 . 2]" 1
1080 1 49 GLN H 1 50 TYR H . . 3.600 2.207 1.641 2.881 . 0 0 "[ . 1 . 2]" 1
1081 1 49 GLN H 1 50 TYR QD . . 3.990 2.840 2.257 3.540 . 0 0 "[ . 1 . 2]" 1
1082 1 49 GLN H 1 50 TYR QE . . 5.240 4.518 4.113 5.321 0.081 12 0 "[ . 1 . 2]" 1
1083 1 49 GLN HA 1 49 GLN HE21 . . 5.170 5.070 4.674 5.248 0.078 16 0 "[ . 1 . 2]" 1
1084 1 49 GLN HA 1 49 GLN QG . . 3.840 3.315 2.638 3.405 . 0 0 "[ . 1 . 2]" 1
1085 1 49 GLN HA 1 50 TYR QD . . 5.180 4.900 4.617 5.270 0.090 12 0 "[ . 1 . 2]" 1
1086 1 49 GLN HA 1 106 TYR QE . . 5.400 5.494 5.470 5.508 0.108 18 0 "[ . 1 . 2]" 1
1087 1 49 GLN HB3 1 50 TYR H . . 5.180 4.072 2.508 4.712 . 0 0 "[ . 1 . 2]" 1
1088 1 49 GLN HB3 1 50 TYR QD . . 4.220 4.285 3.077 4.802 0.582 20 1 "[ . 1 . +]" 1
1089 1 49 GLN HE21 1 50 TYR QE . . 4.080 2.772 2.201 3.578 . 0 0 "[ . 1 . 2]" 1
1090 1 49 GLN HE22 1 50 TYR QE . . 3.460 3.418 3.138 3.550 0.090 20 0 "[ . 1 . 2]" 1
1091 1 49 GLN QG 1 50 TYR H . . 4.910 2.834 2.018 3.515 . 0 0 "[ . 1 . 2]" 1
1092 1 49 GLN QG 1 50 TYR HA . . 3.850 3.379 2.823 3.859 0.009 20 0 "[ . 1 . 2]" 1
1093 1 49 GLN QG 1 50 TYR QD . . 5.500 2.187 1.953 3.521 . 0 0 "[ . 1 . 2]" 1
1094 1 50 TYR H 1 50 TYR QB . . 3.660 2.442 2.274 2.639 . 0 0 "[ . 1 . 2]" 1
1095 1 50 TYR H 1 50 TYR QD . . 3.450 2.494 1.950 2.982 . 0 0 "[ . 1 . 2]" 1
1096 1 50 TYR H 1 50 TYR QE . . 5.200 4.709 3.960 5.259 0.059 1 0 "[ . 1 . 2]" 1
1097 1 50 TYR H 1 51 SER H . . 5.130 2.933 2.128 4.401 . 0 0 "[ . 1 . 2]" 1
1098 1 50 TYR HA 1 50 TYR QD . . 3.430 3.082 2.956 3.229 . 0 0 "[ . 1 . 2]" 1
1099 1 50 TYR QB 1 52 ASN H . . 5.010 3.021 2.326 3.852 . 0 0 "[ . 1 . 2]" 1
1100 1 50 TYR QB 1 52 ASN QB . . 4.770 3.742 2.902 4.538 . 0 0 "[ . 1 . 2]" 1
1101 1 50 TYR QB 1 56 PHE HB3 . . 3.340 3.566 2.707 4.221 0.881 16 9 "[* . * 1** *+ -**]" 1
1102 1 50 TYR QD 1 51 SER H . . 4.560 4.031 3.629 4.494 . 0 0 "[ . 1 . 2]" 1
1103 1 50 TYR QD 1 55 ASN HA . . 4.770 4.558 4.194 4.843 0.073 3 0 "[ . 1 . 2]" 1
1104 1 50 TYR QD 1 55 ASN QB . . 3.440 2.289 1.959 2.935 . 0 0 "[ . 1 . 2]" 1
1105 1 50 TYR QD 1 56 PHE H . . 3.140 3.045 2.667 3.221 0.081 3 0 "[ . 1 . 2]" 1
1106 1 50 TYR QD 1 56 PHE HB2 . . 4.480 3.111 2.781 3.297 . 0 0 "[ . 1 . 2]" 1
1107 1 50 TYR QD 1 57 VAL H . . 5.290 5.316 5.170 5.376 0.086 5 0 "[ . 1 . 2]" 1
1108 1 50 TYR QE 1 56 PHE HB2 . . 5.200 4.018 3.318 4.355 . 0 0 "[ . 1 . 2]" 1
1109 1 50 TYR QE 1 59 ASP H . . 5.450 4.438 4.056 5.024 . 0 0 "[ . 1 . 2]" 1
1110 1 50 TYR QE 1 59 ASP QB . . 3.360 2.621 2.184 3.032 . 0 0 "[ . 1 . 2]" 1
1111 1 51 SER H 1 52 ASN H . . 5.400 2.890 1.850 3.710 . 0 0 "[ . 1 . 2]" 1
1112 1 51 SER HB2 1 52 ASN H . . 4.980 4.172 2.192 4.714 . 0 0 "[ . 1 . 2]" 1
1113 1 51 SER HB3 1 52 ASN H . . 4.700 3.866 2.397 4.705 0.005 3 0 "[ . 1 . 2]" 1
1114 1 52 ASN H 1 55 ASN QB . . 5.320 3.834 2.880 4.545 . 0 0 "[ . 1 . 2]" 1
1115 1 52 ASN HA 1 52 ASN HD22 . . 5.500 4.590 4.040 4.939 . 0 0 "[ . 1 . 2]" 1
1116 1 52 ASN HA 1 53 GLN H . . 3.260 2.238 1.949 2.544 . 0 0 "[ . 1 . 2]" 1
1117 1 52 ASN HA 1 53 GLN HA . . 4.860 4.416 4.180 4.624 . 0 0 "[ . 1 . 2]" 1
1118 1 52 ASN QB 1 53 GLN H . . 3.590 2.875 2.274 3.394 . 0 0 "[ . 1 . 2]" 1
1119 1 52 ASN QB 1 53 GLN HA . . 4.950 4.441 4.034 4.801 . 0 0 "[ . 1 . 2]" 1
1120 1 52 ASN QB 1 54 ASN HB2 . . 4.380 3.840 2.870 4.335 . 0 0 "[ . 1 . 2]" 1
1121 1 52 ASN QB 1 55 ASN H . . 4.300 2.316 1.988 3.026 . 0 0 "[ . 1 . 2]" 1
1122 1 52 ASN QB 1 55 ASN HD22 . . 5.500 3.862 2.603 5.200 . 0 0 "[ . 1 . 2]" 1
1123 1 52 ASN HD21 1 54 ASN H . . 5.500 3.685 2.928 4.317 . 0 0 "[ . 1 . 2]" 1
1124 1 52 ASN HD21 1 54 ASN HB3 . . 5.500 4.200 3.399 5.174 . 0 0 "[ . 1 . 2]" 1
1125 1 52 ASN HD21 1 55 ASN H . . 5.500 3.160 2.464 4.073 . 0 0 "[ . 1 . 2]" 1
1126 1 52 ASN HD21 1 55 ASN HD21 . . 5.120 2.946 2.081 4.007 . 0 0 "[ . 1 . 2]" 1
1127 1 52 ASN HD21 1 55 ASN HD22 . . 5.500 3.442 2.017 4.972 . 0 0 "[ . 1 . 2]" 1
1128 1 52 ASN HD22 1 54 ASN H . . 5.500 4.510 2.955 5.575 0.075 20 0 "[ . 1 . 2]" 1
1129 1 52 ASN HD22 1 54 ASN HB2 . . 5.500 4.223 1.977 5.581 0.081 12 0 "[ . 1 . 2]" 1
1130 1 52 ASN HD22 1 54 ASN HB3 . . 5.500 4.883 2.833 6.080 0.580 20 1 "[ . 1 . +]" 1
1131 1 52 ASN HD22 1 55 ASN H . . 5.500 4.321 2.892 5.465 . 0 0 "[ . 1 . 2]" 1
1132 1 52 ASN HD22 1 55 ASN HD21 . . 4.390 3.969 2.397 5.086 0.696 16 2 "[ . 1 .+- 2]" 1
1133 1 53 GLN H 1 53 GLN HB2 . . 3.530 2.765 2.462 3.034 . 0 0 "[ . 1 . 2]" 1
1134 1 53 GLN H 1 53 GLN HB3 . . 3.460 2.457 2.181 2.851 . 0 0 "[ . 1 . 2]" 1
1135 1 53 GLN H 1 55 ASN H . . 4.000 4.054 3.801 4.087 0.087 13 0 "[ . 1 . 2]" 1
1136 1 53 GLN H 1 99 TYR QE . . 4.740 4.375 3.715 4.839 0.099 11 0 "[ . 1 . 2]" 1
1137 1 53 GLN HA 1 55 ASN H . . 4.810 4.732 4.332 4.890 0.080 4 0 "[ . 1 . 2]" 1
1138 1 53 GLN HA 1 56 PHE H . . 5.030 4.333 3.500 5.095 0.065 17 0 "[ . 1 . 2]" 1
1139 1 53 GLN HA 1 56 PHE HB3 . . 4.740 3.663 2.548 4.715 . 0 0 "[ . 1 . 2]" 1
1140 1 53 GLN HA 1 57 VAL H . . 5.110 4.615 4.163 5.150 0.040 11 0 "[ . 1 . 2]" 1
1141 1 53 GLN HA 1 99 TYR QD . . 5.170 3.283 2.705 3.944 . 0 0 "[ . 1 . 2]" 1
1142 1 53 GLN HA 1 99 TYR QE . . 3.680 2.973 2.173 3.408 . 0 0 "[ . 1 . 2]" 1
1143 1 53 GLN HB2 1 53 GLN HE22 . . 5.450 4.807 4.380 5.373 . 0 0 "[ . 1 . 2]" 1
1144 1 53 GLN HB2 1 57 VAL MG2 . . 5.330 5.135 4.761 5.434 0.104 11 0 "[ . 1 . 2]" 1
1145 1 53 GLN HB2 1 99 TYR QD . . 4.720 3.715 3.239 4.302 . 0 0 "[ . 1 . 2]" 1
1146 1 53 GLN HB2 1 99 TYR QE . . 3.830 2.545 2.235 2.964 . 0 0 "[ . 1 . 2]" 1
1147 1 53 GLN HB3 1 53 GLN HE22 . . 5.270 4.272 3.627 5.311 0.041 10 0 "[ . 1 . 2]" 1
1148 1 53 GLN HB3 1 57 VAL MG2 . . 5.380 4.886 4.616 5.361 . 0 0 "[ . 1 . 2]" 1
1149 1 53 GLN HB3 1 99 TYR QD . . 5.090 4.814 4.479 5.170 0.080 11 0 "[ . 1 . 2]" 1
1150 1 53 GLN HB3 1 99 TYR QE . . 4.140 4.125 3.878 4.223 0.083 5 0 "[ . 1 . 2]" 1
1151 1 53 GLN HE21 1 54 ASN HA . . 5.500 4.621 2.437 5.586 0.086 10 0 "[ . 1 . 2]" 1
1152 1 53 GLN HE21 1 54 ASN HD21 . . 5.250 3.582 2.130 4.544 . 0 0 "[ . 1 . 2]" 1
1153 1 53 GLN HE21 1 57 VAL MG2 . . 4.150 3.625 1.957 4.242 0.092 14 0 "[ . 1 . 2]" 1
1154 1 53 GLN HE21 1 96 VAL QG . . 4.050 2.172 1.746 3.035 . 0 0 "[ . 1 . 2]" 1
1155 1 53 GLN HE22 1 57 VAL MG2 . . 5.420 4.774 2.602 5.524 0.104 11 0 "[ . 1 . 2]" 1
1156 1 53 GLN HE22 1 96 VAL QG . . 4.000 2.651 2.226 2.957 . 0 0 "[ . 1 . 2]" 1
1157 1 53 GLN QG 1 54 ASN HA . . 5.060 3.999 2.963 4.801 . 0 0 "[ . 1 . 2]" 1
1158 1 53 GLN QG 1 57 VAL MG2 . . 3.950 2.989 2.545 3.299 . 0 0 "[ . 1 . 2]" 1
1159 1 53 GLN QG 1 96 VAL QG . . 3.430 2.630 2.259 3.081 . 0 0 "[ . 1 . 2]" 1
1160 1 53 GLN QG 1 99 TYR QD . . 4.050 2.459 2.119 3.819 . 0 0 "[ . 1 . 2]" 1
1161 1 53 GLN QG 1 99 TYR QE . . 4.210 3.008 2.222 3.666 . 0 0 "[ . 1 . 2]" 1
1162 1 54 ASN H 1 54 ASN HB2 . . 3.650 2.404 2.178 2.905 . 0 0 "[ . 1 . 2]" 1
1163 1 54 ASN H 1 54 ASN HB3 . . 3.710 3.366 2.889 3.723 0.013 3 0 "[ . 1 . 2]" 1
1164 1 54 ASN H 1 54 ASN HD21 . . 5.500 3.565 3.219 3.959 . 0 0 "[ . 1 . 2]" 1
1165 1 54 ASN H 1 54 ASN HD22 . . 5.500 5.132 4.801 5.535 0.035 5 0 "[ . 1 . 2]" 1
1166 1 54 ASN H 1 55 ASN H . . 3.330 2.019 1.794 2.201 . 0 0 "[ . 1 . 2]" 1
1167 1 54 ASN H 1 55 ASN QB . . 3.820 3.804 3.688 3.835 0.015 9 0 "[ . 1 . 2]" 1
1168 1 54 ASN H 1 55 ASN HD21 . . 5.050 4.780 2.122 5.134 0.084 13 0 "[ . 1 . 2]" 1
1169 1 54 ASN H 1 56 PHE H . . 3.810 3.793 3.259 3.896 0.086 10 0 "[ . 1 . 2]" 1
1170 1 54 ASN H 1 57 VAL MG2 . . 5.500 4.597 3.419 5.024 . 0 0 "[ . 1 . 2]" 1
1171 1 54 ASN HA 1 54 ASN HD22 . . 5.500 3.321 3.205 3.529 . 0 0 "[ . 1 . 2]" 1
1172 1 54 ASN HA 1 55 ASN H . . 3.650 3.447 3.283 3.541 . 0 0 "[ . 1 . 2]" 1
1173 1 54 ASN HA 1 57 VAL H . . 4.440 3.266 3.037 3.566 . 0 0 "[ . 1 . 2]" 1
1174 1 54 ASN HA 1 57 VAL HB . . 3.620 2.418 2.061 2.854 . 0 0 "[ . 1 . 2]" 1
1175 1 54 ASN HA 1 57 VAL MG1 . . 4.750 3.815 2.953 4.301 . 0 0 "[ . 1 . 2]" 1
1176 1 54 ASN HA 1 57 VAL MG2 . . 4.320 3.136 2.571 3.533 . 0 0 "[ . 1 . 2]" 1
1177 1 54 ASN HB2 1 55 ASN H . . 3.170 3.058 2.538 3.252 0.082 11 0 "[ . 1 . 2]" 1
1178 1 54 ASN HB3 1 54 ASN HD21 . . 3.640 3.554 3.387 3.651 0.011 20 0 "[ . 1 . 2]" 1
1179 1 54 ASN HB3 1 55 ASN H . . 3.260 3.044 2.509 3.331 0.071 2 0 "[ . 1 . 2]" 1
1180 1 54 ASN HD21 1 55 ASN H . . 4.780 4.839 4.742 4.874 0.094 8 0 "[ . 1 . 2]" 1
1181 1 54 ASN HD22 1 96 VAL QG . . 3.870 3.839 3.413 3.947 0.077 6 0 "[ . 1 . 2]" 1
1182 1 55 ASN H 1 56 PHE H . . 4.880 2.872 2.605 3.256 . 0 0 "[ . 1 . 2]" 1
1183 1 55 ASN H 1 57 VAL HB . . 5.200 5.014 4.199 5.255 0.055 14 0 "[ . 1 . 2]" 1
1184 1 55 ASN H 1 57 VAL MG2 . . 5.290 5.086 4.361 5.361 0.071 15 0 "[ . 1 . 2]" 1
1185 1 55 ASN HA 1 55 ASN HD22 . . 5.390 4.219 3.422 5.040 . 0 0 "[ . 1 . 2]" 1
1186 1 55 ASN HA 1 58 HIS H . . 3.980 3.589 3.312 3.841 . 0 0 "[ . 1 . 2]" 1
1187 1 55 ASN HA 1 58 HIS HB2 . . 3.890 2.995 2.528 3.223 . 0 0 "[ . 1 . 2]" 1
1188 1 55 ASN HA 1 58 HIS HB3 . . 5.060 4.610 3.822 4.898 . 0 0 "[ . 1 . 2]" 1
1189 1 55 ASN HA 1 58 HIS HD2 . . 3.980 4.045 3.944 4.066 0.086 4 0 "[ . 1 . 2]" 1
1190 1 55 ASN QB 1 56 PHE H . . 4.590 2.538 2.236 3.010 . 0 0 "[ . 1 . 2]" 1
1191 1 56 PHE H 1 57 VAL H . . 3.940 2.739 2.480 2.932 . 0 0 "[ . 1 . 2]" 1
1192 1 56 PHE H 1 58 HIS H . . 4.920 4.526 4.260 4.680 . 0 0 "[ . 1 . 2]" 1
1193 1 56 PHE HA 1 59 ASP QB . . 4.030 2.819 2.371 3.324 . 0 0 "[ . 1 . 2]" 1
1194 1 56 PHE HA 1 60 CYS H . . 5.060 4.371 3.737 5.135 0.075 20 0 "[ . 1 . 2]" 1
1195 1 56 PHE HB3 1 57 VAL H . . 4.240 2.904 2.545 3.500 . 0 0 "[ . 1 . 2]" 1
1196 1 56 PHE QD 1 57 VAL H . . 4.570 2.918 2.659 3.269 . 0 0 "[ . 1 . 2]" 1
1197 1 56 PHE QD 1 57 VAL HA . . 4.320 2.733 2.436 3.253 . 0 0 "[ . 1 . 2]" 1
1198 1 56 PHE QD 1 57 VAL HB . . 5.500 4.253 3.916 4.466 . 0 0 "[ . 1 . 2]" 1
1199 1 56 PHE QD 1 57 VAL MG1 . . 5.500 4.284 3.988 4.611 . 0 0 "[ . 1 . 2]" 1
1200 1 56 PHE QD 1 57 VAL MG2 . . 3.740 2.239 2.066 2.446 . 0 0 "[ . 1 . 2]" 1
1201 1 56 PHE QD 1 58 HIS H . . 5.490 5.195 5.035 5.532 0.042 20 0 "[ . 1 . 2]" 1
1202 1 56 PHE QD 1 99 TYR HB3 . . 5.270 4.129 3.888 4.636 . 0 0 "[ . 1 . 2]" 1
1203 1 56 PHE QD 1 99 TYR QD . . 3.800 3.113 2.703 3.882 0.082 17 0 "[ . 1 . 2]" 1
1204 1 56 PHE QE 1 57 VAL HA . . 4.890 3.978 3.486 4.436 . 0 0 "[ . 1 . 2]" 1
1205 1 56 PHE QE 1 57 VAL MG2 . . 4.330 3.314 2.964 3.653 . 0 0 "[ . 1 . 2]" 1
1206 1 56 PHE QE 1 95 CYS HA . . 4.770 3.871 3.427 4.374 . 0 0 "[ . 1 . 2]" 1
1207 1 56 PHE QE 1 98 GLN HB3 . . 4.430 3.051 2.402 3.903 . 0 0 "[ . 1 . 2]" 1
1208 1 56 PHE QE 1 98 GLN HG3 . . 5.500 4.248 3.493 4.799 . 0 0 "[ . 1 . 2]" 1
1209 1 56 PHE QE 1 99 TYR H . . 3.900 2.940 2.491 3.437 . 0 0 "[ . 1 . 2]" 1
1210 1 56 PHE QE 1 99 TYR HB2 . . 5.500 2.585 2.218 3.116 . 0 0 "[ . 1 . 2]" 1
1211 1 56 PHE QE 1 99 TYR HB3 . . 4.280 3.867 3.591 4.302 0.022 16 0 "[ . 1 . 2]" 1
1212 1 56 PHE QE 1 99 TYR QD . . 4.580 3.612 3.243 3.961 . 0 0 "[ . 1 . 2]" 1
1213 1 56 PHE QE 1 99 TYR QE . . 5.420 5.295 4.807 5.544 0.124 17 0 "[ . 1 . 2]" 1
1214 1 56 PHE HZ 1 57 VAL MG2 . . 5.360 5.336 5.037 5.461 0.101 8 0 "[ . 1 . 2]" 1
1215 1 56 PHE HZ 1 95 CYS HA . . 5.500 5.327 4.826 5.560 0.060 3 0 "[ . 1 . 2]" 1
1216 1 56 PHE HZ 1 98 GLN HB3 . . 4.380 3.505 2.856 4.314 . 0 0 "[ . 1 . 2]" 1
1217 1 56 PHE HZ 1 98 GLN HG2 . . 3.980 3.941 3.257 4.059 0.079 18 0 "[ . 1 . 2]" 1
1218 1 56 PHE HZ 1 98 GLN HG3 . . 3.810 3.324 2.496 3.855 0.045 12 0 "[ . 1 . 2]" 1
1219 1 56 PHE HZ 1 99 TYR H . . 4.700 4.068 3.526 4.573 . 0 0 "[ . 1 . 2]" 1
1220 1 56 PHE HZ 1 99 TYR HA . . 5.280 3.087 2.454 3.456 . 0 0 "[ . 1 . 2]" 1
1221 1 56 PHE HZ 1 99 TYR QD . . 5.310 4.373 3.864 4.827 . 0 0 "[ . 1 . 2]" 1
1222 1 56 PHE HZ 1 102 GLU HG2 . . 4.430 3.953 2.853 5.050 0.620 9 1 "[ . +1 . 2]" 1
1223 1 56 PHE HZ 1 102 GLU HG3 . . 4.980 3.976 2.910 5.063 0.083 4 0 "[ . 1 . 2]" 1
1224 1 57 VAL H 1 57 VAL HB . . 3.670 2.413 1.994 2.617 . 0 0 "[ . 1 . 2]" 1
1225 1 57 VAL H 1 57 VAL MG1 . . 4.160 3.762 3.520 3.832 . 0 0 "[ . 1 . 2]" 1
1226 1 57 VAL H 1 57 VAL MG2 . . 3.480 2.353 2.156 2.683 . 0 0 "[ . 1 . 2]" 1
1227 1 57 VAL H 1 58 HIS H . . 3.710 2.794 2.564 3.108 . 0 0 "[ . 1 . 2]" 1
1228 1 57 VAL H 1 59 ASP H . . 5.500 4.120 3.833 4.333 . 0 0 "[ . 1 . 2]" 1
1229 1 57 VAL H 1 99 TYR QD . . 5.480 5.202 4.740 5.554 0.074 17 0 "[ . 1 . 2]" 1
1230 1 57 VAL HA 1 57 VAL MG1 . . 3.530 2.479 2.296 2.835 . 0 0 "[ . 1 . 2]" 1
1231 1 57 VAL HA 1 57 VAL MG2 . . 3.410 2.317 2.190 2.398 . 0 0 "[ . 1 . 2]" 1
1232 1 57 VAL HA 1 60 CYS H . . 4.520 3.355 3.036 3.657 . 0 0 "[ . 1 . 2]" 1
1233 1 57 VAL HA 1 60 CYS HB3 . . 4.070 3.220 2.143 4.372 0.302 2 0 "[ . 1 . 2]" 1
1234 1 57 VAL HA 1 61 VAL H . . 4.540 3.733 3.443 3.944 . 0 0 "[ . 1 . 2]" 1
1235 1 57 VAL HA 1 95 CYS HB3 . . 3.960 3.278 2.609 4.020 0.060 10 0 "[ . 1 . 2]" 1
1236 1 57 VAL HB 1 58 HIS H . . 3.560 2.785 2.597 3.002 . 0 0 "[ . 1 . 2]" 1
1237 1 57 VAL HB 1 58 HIS HD2 . . 4.210 3.496 3.166 4.062 . 0 0 "[ . 1 . 2]" 1
1238 1 57 VAL HB 1 59 ASP H . . 5.390 5.164 4.985 5.360 . 0 0 "[ . 1 . 2]" 1
1239 1 57 VAL MG1 1 58 HIS H . . 4.250 3.303 2.521 3.492 . 0 0 "[ . 1 . 2]" 1
1240 1 57 VAL MG1 1 58 HIS HD2 . . 3.900 3.745 2.479 3.983 0.083 1 0 "[ . 1 . 2]" 1
1241 1 57 VAL MG1 1 59 ASP H . . 5.500 5.001 4.663 5.256 . 0 0 "[ . 1 . 2]" 1
1242 1 57 VAL MG1 1 60 CYS HB3 . . 5.420 4.681 3.556 5.531 0.111 4 0 "[ . 1 . 2]" 1
1243 1 57 VAL MG1 1 61 VAL H . . 4.290 3.812 3.535 4.243 . 0 0 "[ . 1 . 2]" 1
1244 1 57 VAL MG1 1 92 GLU HA . . 3.720 2.792 2.468 3.667 . 0 0 "[ . 1 . 2]" 1
1245 1 57 VAL MG1 1 92 GLU HG3 . . 3.910 3.129 2.691 3.934 0.024 10 0 "[ . 1 . 2]" 1
1246 1 57 VAL MG1 1 95 CYS HB3 . . 3.930 2.600 2.075 3.939 0.009 7 0 "[ . 1 . 2]" 1
1247 1 57 VAL MG1 1 96 VAL H . . 4.940 3.505 2.867 4.371 . 0 0 "[ . 1 . 2]" 1
1248 1 57 VAL MG2 1 58 HIS H . . 4.310 4.086 3.914 4.274 . 0 0 "[ . 1 . 2]" 1
1249 1 57 VAL MG2 1 95 CYS HA . . 5.100 4.306 3.897 4.864 . 0 0 "[ . 1 . 2]" 1
1250 1 57 VAL MG2 1 95 CYS HB3 . . 4.180 2.853 2.234 3.480 . 0 0 "[ . 1 . 2]" 1
1251 1 57 VAL MG2 1 96 VAL H . . 4.600 3.379 3.073 3.832 . 0 0 "[ . 1 . 2]" 1
1252 1 57 VAL MG2 1 96 VAL HA . . 3.240 2.224 2.049 2.677 . 0 0 "[ . 1 . 2]" 1
1253 1 57 VAL MG2 1 96 VAL QG . . 2.760 2.229 2.054 2.495 . 0 0 "[ . 1 . 2]" 1
1254 1 57 VAL MG2 1 99 TYR H . . 5.250 3.937 3.676 4.396 . 0 0 "[ . 1 . 2]" 1
1255 1 57 VAL MG2 1 99 TYR HB2 . . 5.500 2.943 2.572 3.329 . 0 0 "[ . 1 . 2]" 1
1256 1 57 VAL MG2 1 99 TYR HB3 . . 5.100 3.385 2.917 3.883 . 0 0 "[ . 1 . 2]" 1
1257 1 57 VAL MG2 1 99 TYR QD . . 3.970 3.924 3.471 4.102 0.132 7 0 "[ . 1 . 2]" 1
1258 1 58 HIS H 1 58 HIS HB2 . . 3.180 2.293 2.080 2.396 . 0 0 "[ . 1 . 2]" 1
1259 1 58 HIS H 1 58 HIS HB3 . . 3.580 3.550 3.366 3.626 0.046 11 0 "[ . 1 . 2]" 1
1260 1 58 HIS H 1 58 HIS HD2 . . 4.040 2.555 2.282 2.844 . 0 0 "[ . 1 . 2]" 1
1261 1 58 HIS H 1 59 ASP H . . 3.710 2.760 2.615 2.904 . 0 0 "[ . 1 . 2]" 1
1262 1 58 HIS H 1 59 ASP QB . . 5.160 4.457 4.281 4.751 . 0 0 "[ . 1 . 2]" 1
1263 1 58 HIS HA 1 58 HIS HD2 . . 3.720 3.675 3.455 3.793 0.073 20 0 "[ . 1 . 2]" 1
1264 1 58 HIS HA 1 58 HIS HE1 . . 5.200 5.062 4.828 5.262 0.062 5 0 "[ . 1 . 2]" 1
1265 1 58 HIS HA 1 59 ASP HA . . 4.610 4.681 4.518 4.697 0.087 20 0 "[ . 1 . 2]" 1
1266 1 58 HIS HA 1 60 CYS H . . 5.220 4.173 3.536 4.664 . 0 0 "[ . 1 . 2]" 1
1267 1 58 HIS HA 1 61 VAL H . . 4.510 3.625 3.341 4.335 . 0 0 "[ . 1 . 2]" 1
1268 1 58 HIS HA 1 61 VAL HB . . 3.800 2.672 2.388 3.508 . 0 0 "[ . 1 . 2]" 1
1269 1 58 HIS HA 1 61 VAL MG2 . . 4.340 3.546 3.220 4.219 . 0 0 "[ . 1 . 2]" 1
1270 1 58 HIS HA 1 62 ASN H . . 4.530 4.138 3.848 4.589 0.059 20 0 "[ . 1 . 2]" 1
1271 1 58 HIS HB2 1 59 ASP H . . 3.900 2.867 2.442 3.594 . 0 0 "[ . 1 . 2]" 1
1272 1 58 HIS HB2 1 59 ASP QB . . 5.020 4.272 3.775 4.882 . 0 0 "[ . 1 . 2]" 1
1273 1 58 HIS HB3 1 59 ASP H . . 3.820 3.461 3.125 3.900 0.080 18 0 "[ . 1 . 2]" 1
1274 1 59 ASP H 1 59 ASP QB . . 3.270 2.155 1.986 2.537 . 0 0 "[ . 1 . 2]" 1
1275 1 59 ASP H 1 60 CYS H . . 3.610 2.646 1.969 2.811 . 0 0 "[ . 1 . 2]" 1
1276 1 59 ASP H 1 60 CYS HA . . 5.270 5.252 4.716 5.342 0.072 2 0 "[ . 1 . 2]" 1
1277 1 59 ASP H 1 61 VAL H . . 5.160 4.277 3.601 4.503 . 0 0 "[ . 1 . 2]" 1
1278 1 59 ASP H 1 61 VAL MG2 . . 5.500 5.420 4.842 5.583 0.083 20 0 "[ . 1 . 2]" 1
1279 1 59 ASP H 1 62 ASN H . . 5.210 4.817 4.319 5.125 . 0 0 "[ . 1 . 2]" 1
1280 1 59 ASP HA 1 62 ASN H . . 4.120 3.648 3.325 4.065 . 0 0 "[ . 1 . 2]" 1
1281 1 59 ASP HA 1 62 ASN HB2 . . 3.660 3.248 2.495 3.723 0.063 4 0 "[ . 1 . 2]" 1
1282 1 59 ASP HA 1 62 ASN HB3 . . 3.670 2.981 2.542 3.621 . 0 0 "[ . 1 . 2]" 1
1283 1 59 ASP HA 1 62 ASN HD21 . . 4.050 3.852 3.289 4.140 0.090 8 0 "[ . 1 . 2]" 1
1284 1 59 ASP HA 1 62 ASN HD22 . . 5.370 5.353 4.920 5.455 0.085 20 0 "[ . 1 . 2]" 1
1285 1 59 ASP HA 1 63 ILE H . . 5.210 4.244 3.950 4.795 . 0 0 "[ . 1 . 2]" 1
1286 1 59 ASP HA 1 63 ILE MD . . 5.500 5.052 4.033 5.558 0.058 15 0 "[ . 1 . 2]" 1
1287 1 59 ASP QB 1 60 CYS H . . 3.740 2.927 2.524 3.522 . 0 0 "[ . 1 . 2]" 1
1288 1 59 ASP QB 1 60 CYS HA . . 4.830 4.145 3.496 4.570 . 0 0 "[ . 1 . 2]" 1
1289 1 59 ASP QB 1 62 ASN H . . 5.090 5.075 4.897 5.200 0.110 13 0 "[ . 1 . 2]" 1
1290 1 59 ASP QB 1 63 ILE MD . . 5.310 5.242 4.578 5.444 0.134 5 0 "[ . 1 . 2]" 1
1291 1 60 CYS H 1 60 CYS HB2 . . 3.790 3.213 2.308 3.785 . 0 0 "[ . 1 . 2]" 1
1292 1 60 CYS H 1 60 CYS HB3 . . 3.680 2.497 2.182 3.532 . 0 0 "[ . 1 . 2]" 1
1293 1 60 CYS H 1 61 VAL H . . 3.680 2.405 1.927 2.740 . 0 0 "[ . 1 . 2]" 1
1294 1 60 CYS H 1 61 VAL MG1 . . 5.500 5.462 4.987 5.605 0.105 14 0 "[ . 1 . 2]" 1
1295 1 60 CYS H 1 61 VAL MG2 . . 5.020 4.226 3.877 4.866 . 0 0 "[ . 1 . 2]" 1
1296 1 60 CYS H 1 62 ASN H . . 5.230 3.693 2.973 4.207 . 0 0 "[ . 1 . 2]" 1
1297 1 60 CYS HA 1 62 ASN H . . 5.500 4.029 3.397 4.598 . 0 0 "[ . 1 . 2]" 1
1298 1 60 CYS HA 1 63 ILE H . . 5.490 3.080 2.412 3.645 . 0 0 "[ . 1 . 2]" 1
1299 1 60 CYS HA 1 63 ILE HB . . 4.610 2.573 2.293 3.103 . 0 0 "[ . 1 . 2]" 1
1300 1 60 CYS HA 1 63 ILE MD . . 4.870 4.766 4.003 4.979 0.109 9 0 "[ . 1 . 2]" 1
1301 1 60 CYS HA 1 63 ILE MG . . 4.460 4.025 3.753 4.525 0.065 17 0 "[ . 1 . 2]" 1
1302 1 60 CYS HB2 1 61 VAL H . . 4.330 3.949 2.645 4.304 . 0 0 "[ . 1 . 2]" 1
1303 1 60 CYS HB3 1 61 VAL H . . 4.140 3.300 2.534 4.158 0.018 14 0 "[ . 1 . 2]" 1
1304 1 60 CYS HB3 1 61 VAL MG2 . . 5.380 4.390 3.412 5.467 0.087 15 0 "[ . 1 . 2]" 1
1305 1 61 VAL H 1 61 VAL HB . . 3.300 2.240 2.124 2.356 . 0 0 "[ . 1 . 2]" 1
1306 1 61 VAL H 1 61 VAL MG1 . . 3.950 3.677 3.590 3.728 . 0 0 "[ . 1 . 2]" 1
1307 1 61 VAL H 1 61 VAL MG2 . . 3.160 2.380 2.169 2.671 . 0 0 "[ . 1 . 2]" 1
1308 1 61 VAL H 1 62 ASN H . . 3.490 2.704 2.563 2.938 . 0 0 "[ . 1 . 2]" 1
1309 1 61 VAL H 1 63 ILE H . . 5.490 4.372 4.114 4.683 . 0 0 "[ . 1 . 2]" 1
1310 1 61 VAL H 1 91 VAL QG . . 4.590 4.044 3.774 4.572 . 0 0 "[ . 1 . 2]" 1
1311 1 61 VAL HA 1 61 VAL MG1 . . 3.270 2.624 2.508 2.906 . 0 0 "[ . 1 . 2]" 1
1312 1 61 VAL HA 1 61 VAL MG2 . . 3.560 2.347 2.237 2.448 . 0 0 "[ . 1 . 2]" 1
1313 1 61 VAL HA 1 64 THR H . . 4.520 3.703 3.418 3.994 . 0 0 "[ . 1 . 2]" 1
1314 1 61 VAL HA 1 64 THR HB . . 4.080 3.070 2.612 3.395 . 0 0 "[ . 1 . 2]" 1
1315 1 61 VAL HA 1 64 THR MG . . 4.430 4.413 3.941 4.528 0.098 7 0 "[ . 1 . 2]" 1
1316 1 61 VAL HA 1 65 ILE H . . 4.640 3.741 3.601 4.017 . 0 0 "[ . 1 . 2]" 1
1317 1 61 VAL HA 1 91 VAL QG . . 3.000 2.125 1.867 2.611 . 0 0 "[ . 1 . 2]" 1
1318 1 61 VAL HB 1 62 ASN H . . 3.310 2.851 2.546 3.235 . 0 0 "[ . 1 . 2]" 1
1319 1 61 VAL HB 1 62 ASN HB2 . . 4.990 4.517 3.991 5.073 0.083 7 0 "[ . 1 . 2]" 1
1320 1 61 VAL MG1 1 62 ASN H . . 3.880 3.320 2.813 3.731 . 0 0 "[ . 1 . 2]" 1
1321 1 61 VAL MG1 1 62 ASN HA . . 3.940 3.502 3.099 4.023 0.083 7 0 "[ . 1 . 2]" 1
1322 1 61 VAL MG1 1 62 ASN HB2 . . 4.870 4.307 3.619 4.790 . 0 0 "[ . 1 . 2]" 1
1323 1 61 VAL MG1 1 62 ASN HB3 . . 5.290 5.176 4.625 5.398 0.108 20 0 "[ . 1 . 2]" 1
1324 1 61 VAL MG1 1 64 THR MG . . 5.500 5.369 4.464 5.600 0.100 19 0 "[ . 1 . 2]" 1
1325 1 61 VAL MG1 1 65 ILE H . . 5.050 4.251 3.821 4.858 . 0 0 "[ . 1 . 2]" 1
1326 1 61 VAL MG1 1 65 ILE MD . . 3.000 2.141 1.943 2.940 . 0 0 "[ . 1 . 2]" 1
1327 1 61 VAL MG1 1 65 ILE HG12 . . 4.400 3.991 2.364 4.436 0.036 12 0 "[ . 1 . 2]" 1
1328 1 61 VAL MG1 1 88 GLU HA . . 4.030 3.039 2.530 3.903 . 0 0 "[ . 1 . 2]" 1
1329 1 61 VAL MG1 1 88 GLU HB2 . . 5.210 4.699 4.269 5.043 . 0 0 "[ . 1 . 2]" 1
1330 1 61 VAL MG1 1 88 GLU HB3 . . 4.940 4.410 3.418 4.929 . 0 0 "[ . 1 . 2]" 1
1331 1 61 VAL MG1 1 88 GLU HG2 . . 3.470 2.410 2.075 2.712 . 0 0 "[ . 1 . 2]" 1
1332 1 61 VAL MG1 1 88 GLU HG3 . . 4.600 3.389 3.075 3.988 . 0 0 "[ . 1 . 2]" 1
1333 1 61 VAL MG1 1 91 VAL QG . . 3.690 2.949 2.047 3.325 . 0 0 "[ . 1 . 2]" 1
1334 1 61 VAL MG1 1 92 GLU H . . 5.180 4.102 3.753 4.548 . 0 0 "[ . 1 . 2]" 1
1335 1 61 VAL MG2 1 62 ASN H . . 4.220 4.123 4.004 4.237 0.017 19 0 "[ . 1 . 2]" 1
1336 1 61 VAL MG2 1 65 ILE MD . . 3.740 3.693 3.339 3.875 0.135 9 0 "[ . 1 . 2]" 1
1337 1 61 VAL MG2 1 88 GLU HG3 . . 5.500 5.366 5.076 5.578 0.078 2 0 "[ . 1 . 2]" 1
1338 1 61 VAL MG2 1 91 VAL H . . 4.830 4.811 4.520 4.929 0.099 7 0 "[ . 1 . 2]" 1
1339 1 61 VAL MG2 1 91 VAL QG . . 3.350 2.169 2.027 2.383 . 0 0 "[ . 1 . 2]" 1
1340 1 61 VAL MG2 1 92 GLU H . . 3.960 3.082 2.872 3.283 . 0 0 "[ . 1 . 2]" 1
1341 1 61 VAL MG2 1 92 GLU HA . . 3.030 2.229 2.060 2.368 . 0 0 "[ . 1 . 2]" 1
1342 1 61 VAL MG2 1 92 GLU HB2 . . 4.580 2.552 2.307 2.885 . 0 0 "[ . 1 . 2]" 1
1343 1 61 VAL MG2 1 92 GLU HB3 . . 4.350 3.719 3.446 3.991 . 0 0 "[ . 1 . 2]" 1
1344 1 61 VAL MG2 1 92 GLU HG3 . . 3.830 3.876 3.604 3.937 0.107 1 0 "[ . 1 . 2]" 1
1345 1 61 VAL MG2 1 93 GLN H . . 5.130 4.856 4.649 5.064 . 0 0 "[ . 1 . 2]" 1
1346 1 61 VAL MG2 1 95 CYS HB2 . . 4.510 3.263 2.774 4.293 . 0 0 "[ . 1 . 2]" 1
1347 1 61 VAL MG2 1 95 CYS HB3 . . 4.240 3.341 2.800 3.936 . 0 0 "[ . 1 . 2]" 1
1348 1 62 ASN H 1 62 ASN HB2 . . 3.120 2.377 1.939 2.798 . 0 0 "[ . 1 . 2]" 1
1349 1 62 ASN H 1 62 ASN HB3 . . 3.030 2.582 2.293 3.107 0.077 5 0 "[ . 1 . 2]" 1
1350 1 62 ASN H 1 63 ILE H . . 3.610 2.706 2.463 2.930 . 0 0 "[ . 1 . 2]" 1
1351 1 62 ASN H 1 63 ILE HA . . 5.270 5.262 5.130 5.346 0.076 1 0 "[ . 1 . 2]" 1
1352 1 62 ASN H 1 63 ILE HB . . 5.000 4.790 4.581 5.048 0.048 17 0 "[ . 1 . 2]" 1
1353 1 62 ASN H 1 63 ILE MD . . 5.500 5.382 4.579 5.610 0.110 15 0 "[ . 1 . 2]" 1
1354 1 62 ASN H 1 64 THR H . . 4.830 4.198 3.973 4.375 . 0 0 "[ . 1 . 2]" 1
1355 1 62 ASN H 1 65 ILE MD . . 5.500 5.046 4.425 5.597 0.097 6 0 "[ . 1 . 2]" 1
1356 1 62 ASN H 1 66 LYS H . . 5.500 5.592 5.577 5.604 0.104 6 0 "[ . 1 . 2]" 1
1357 1 62 ASN H 1 91 VAL QG . . 5.500 4.927 4.764 5.210 . 0 0 "[ . 1 . 2]" 1
1358 1 62 ASN HA 1 62 ASN HD21 . . 4.810 4.219 3.369 4.590 . 0 0 "[ . 1 . 2]" 1
1359 1 62 ASN HA 1 62 ASN HD22 . . 5.140 4.526 4.142 4.837 . 0 0 "[ . 1 . 2]" 1
1360 1 62 ASN HA 1 64 THR H . . 4.780 4.750 4.403 4.853 0.073 19 0 "[ . 1 . 2]" 1
1361 1 62 ASN HA 1 65 ILE H . . 4.560 4.042 3.401 4.336 . 0 0 "[ . 1 . 2]" 1
1362 1 62 ASN HA 1 65 ILE HB . . 4.390 3.334 2.739 3.742 . 0 0 "[ . 1 . 2]" 1
1363 1 62 ASN HA 1 65 ILE MD . . 4.540 4.126 3.345 4.647 0.107 6 0 "[ . 1 . 2]" 1
1364 1 62 ASN HA 1 65 ILE MG . . 4.810 4.562 4.181 4.890 0.080 1 0 "[ . 1 . 2]" 1
1365 1 62 ASN HB2 1 63 ILE H . . 3.670 3.583 2.998 3.750 0.080 9 0 "[ . 1 . 2]" 1
1366 1 62 ASN HB2 1 63 ILE MD . . 5.500 5.076 4.206 5.601 0.101 9 0 "[ . 1 . 2]" 1
1367 1 62 ASN HB2 1 63 ILE QG . . 4.850 4.543 4.049 4.934 0.084 3 0 "[ . 1 . 2]" 1
1368 1 62 ASN HB3 1 63 ILE H . . 3.640 2.364 2.033 2.743 . 0 0 "[ . 1 . 2]" 1
1369 1 62 ASN HB3 1 63 ILE HB . . 5.170 4.596 4.238 4.981 . 0 0 "[ . 1 . 2]" 1
1370 1 62 ASN HB3 1 63 ILE QG . . 4.800 3.048 2.652 3.505 . 0 0 "[ . 1 . 2]" 1
1371 1 62 ASN HD21 1 63 ILE MD . . 5.470 4.804 2.829 5.547 0.077 10 0 "[ . 1 . 2]" 1
1372 1 63 ILE H 1 63 ILE HB . . 3.310 2.427 2.315 2.614 . 0 0 "[ . 1 . 2]" 1
1373 1 63 ILE H 1 63 ILE MD . . 4.100 3.342 2.804 3.805 . 0 0 "[ . 1 . 2]" 1
1374 1 63 ILE H 1 63 ILE QG . . 3.720 2.156 1.956 2.437 . 0 0 "[ . 1 . 2]" 1
1375 1 63 ILE H 1 63 ILE MG . . 3.870 3.785 3.732 3.852 . 0 0 "[ . 1 . 2]" 1
1376 1 63 ILE H 1 64 THR H . . 3.600 2.875 2.648 3.111 . 0 0 "[ . 1 . 2]" 1
1377 1 63 ILE H 1 64 THR HB . . 5.500 5.151 4.511 5.390 . 0 0 "[ . 1 . 2]" 1
1378 1 63 ILE H 1 65 ILE H . . 5.360 4.488 3.958 4.768 . 0 0 "[ . 1 . 2]" 1
1379 1 63 ILE H 1 66 LYS H . . 5.500 4.612 4.293 4.818 . 0 0 "[ . 1 . 2]" 1
1380 1 63 ILE HA 1 63 ILE MD . . 3.280 2.134 2.025 2.256 . 0 0 "[ . 1 . 2]" 1
1381 1 63 ILE HA 1 63 ILE QG . . 3.900 2.866 2.663 3.111 . 0 0 "[ . 1 . 2]" 1
1382 1 63 ILE HA 1 63 ILE MG . . 3.540 2.560 2.439 2.657 . 0 0 "[ . 1 . 2]" 1
1383 1 63 ILE HA 1 66 LYS H . . 4.100 3.572 3.195 3.895 . 0 0 "[ . 1 . 2]" 1
1384 1 63 ILE HA 1 66 LYS HB2 . . 3.740 3.443 3.106 3.794 0.054 7 0 "[ . 1 . 2]" 1
1385 1 63 ILE HA 1 66 LYS HB3 . . 3.430 2.377 2.164 2.589 . 0 0 "[ . 1 . 2]" 1
1386 1 63 ILE HA 1 66 LYS QD . . 4.500 3.296 2.664 4.091 . 0 0 "[ . 1 . 2]" 1
1387 1 63 ILE HA 1 66 LYS QE . . 4.340 3.306 2.027 4.428 0.088 1 0 "[ . 1 . 2]" 1
1388 1 63 ILE HA 1 66 LYS HG2 . . 5.300 4.804 4.263 5.296 . 0 0 "[ . 1 . 2]" 1
1389 1 63 ILE HA 1 66 LYS HG3 . . 5.270 4.929 4.406 5.317 0.047 2 0 "[ . 1 . 2]" 1
1390 1 63 ILE HA 1 67 GLN H . . 4.480 3.703 3.491 3.954 . 0 0 "[ . 1 . 2]" 1
1391 1 63 ILE HB 1 63 ILE MD . . 3.400 3.270 3.228 3.291 . 0 0 "[ . 1 . 2]" 1
1392 1 63 ILE HB 1 64 THR H . . 3.760 2.729 2.571 2.923 . 0 0 "[ . 1 . 2]" 1
1393 1 63 ILE MD 1 63 ILE MG . . 3.520 2.134 2.077 2.240 . 0 0 "[ . 1 . 2]" 1
1394 1 63 ILE MD 1 64 THR H . . 5.020 4.820 4.575 4.974 . 0 0 "[ . 1 . 2]" 1
1395 1 63 ILE MD 1 66 LYS H . . 5.360 5.064 4.603 5.438 0.078 7 0 "[ . 1 . 2]" 1
1396 1 63 ILE MD 1 66 LYS HB2 . . 4.640 4.242 3.797 4.644 0.004 6 0 "[ . 1 . 2]" 1
1397 1 63 ILE MD 1 66 LYS HB3 . . 4.420 3.583 3.173 3.861 . 0 0 "[ . 1 . 2]" 1
1398 1 63 ILE MD 1 66 LYS QD . . 4.530 3.083 2.377 3.786 . 0 0 "[ . 1 . 2]" 1
1399 1 63 ILE MD 1 66 LYS QE . . 4.750 3.033 1.958 4.423 . 0 0 "[ . 1 . 2]" 1
1400 1 63 ILE MD 1 66 LYS HG2 . . 5.500 5.071 4.475 5.580 0.080 6 0 "[ . 1 . 2]" 1
1401 1 63 ILE MD 1 67 GLN H . . 5.440 4.985 4.538 5.350 . 0 0 "[ . 1 . 2]" 1
1402 1 63 ILE MD 1 67 GLN QE . . 5.500 5.091 4.731 5.378 . 0 0 "[ . 1 . 2]" 1
1403 1 63 ILE MD 1 67 GLN QG . . 5.490 4.379 3.796 4.954 . 0 0 "[ . 1 . 2]" 1
1404 1 63 ILE QG 1 64 THR H . . 5.190 4.177 4.000 4.360 . 0 0 "[ . 1 . 2]" 1
1405 1 63 ILE MG 1 64 THR H . . 4.020 3.369 3.155 3.651 . 0 0 "[ . 1 . 2]" 1
1406 1 63 ILE MG 1 64 THR HA . . 4.310 3.331 3.034 3.527 . 0 0 "[ . 1 . 2]" 1
1407 1 63 ILE MG 1 64 THR HB . . 5.500 5.067 4.737 5.383 . 0 0 "[ . 1 . 2]" 1
1408 1 63 ILE MG 1 64 THR MG . . 5.500 4.660 4.394 5.001 . 0 0 "[ . 1 . 2]" 1
1409 1 63 ILE MG 1 66 LYS H . . 5.500 5.029 4.743 5.377 . 0 0 "[ . 1 . 2]" 1
1410 1 63 ILE MG 1 66 LYS HB3 . . 5.190 3.921 3.568 4.288 . 0 0 "[ . 1 . 2]" 1
1411 1 63 ILE MG 1 67 GLN H . . 5.420 3.914 3.711 4.220 . 0 0 "[ . 1 . 2]" 1
1412 1 63 ILE MG 1 67 GLN HB2 . . 5.310 4.081 3.775 4.436 . 0 0 "[ . 1 . 2]" 1
1413 1 63 ILE MG 1 67 GLN QE . . 4.810 4.183 3.710 4.521 . 0 0 "[ . 1 . 2]" 1
1414 1 63 ILE MG 1 67 GLN QG . . 4.520 2.622 2.186 2.910 . 0 0 "[ . 1 . 2]" 1
1415 1 64 THR H 1 64 THR HB . . 3.460 2.509 2.282 2.734 . 0 0 "[ . 1 . 2]" 1
1416 1 64 THR H 1 64 THR MG . . 4.260 3.743 3.686 3.793 . 0 0 "[ . 1 . 2]" 1
1417 1 64 THR H 1 65 ILE H . . 3.630 2.737 2.624 2.881 . 0 0 "[ . 1 . 2]" 1
1418 1 64 THR H 1 66 LYS H . . 4.670 4.123 3.943 4.344 . 0 0 "[ . 1 . 2]" 1
1419 1 64 THR H 1 91 VAL QG . . 5.050 3.856 3.546 4.340 . 0 0 "[ . 1 . 2]" 1
1420 1 64 THR HA 1 64 THR MG . . 3.450 2.387 2.248 2.495 . 0 0 "[ . 1 . 2]" 1
1421 1 64 THR HA 1 67 GLN HB3 . . 4.750 4.385 3.843 4.813 0.063 3 0 "[ . 1 . 2]" 1
1422 1 64 THR HA 1 68 HIS HD2 . . 4.980 3.836 3.319 4.356 . 0 0 "[ . 1 . 2]" 1
1423 1 64 THR HB 1 65 ILE H . . 3.720 2.621 2.430 2.937 . 0 0 "[ . 1 . 2]" 1
1424 1 64 THR HB 1 65 ILE HG13 . . 5.330 3.577 2.884 5.413 0.083 9 0 "[ . 1 . 2]" 1
1425 1 64 THR HB 1 66 LYS H . . 5.500 5.142 4.940 5.364 . 0 0 "[ . 1 . 2]" 1
1426 1 64 THR HB 1 91 VAL QG . . 3.580 2.101 1.946 2.614 . 0 0 "[ . 1 . 2]" 1
1427 1 64 THR MG 1 65 ILE H . . 4.370 3.582 3.211 3.853 . 0 0 "[ . 1 . 2]" 1
1428 1 64 THR MG 1 65 ILE HA . . 4.460 3.866 3.546 4.247 . 0 0 "[ . 1 . 2]" 1
1429 1 64 THR MG 1 66 LYS H . . 5.440 5.408 5.175 5.527 0.087 15 0 "[ . 1 . 2]" 1
1430 1 64 THR MG 1 68 HIS HD2 . . 3.370 3.264 2.635 3.478 0.108 16 0 "[ . 1 . 2]" 1
1431 1 64 THR MG 1 91 VAL QG . . 3.290 2.062 1.873 2.202 . 0 0 "[ . 1 . 2]" 1
1432 1 65 ILE H 1 65 ILE HB . . 3.290 2.477 2.291 2.763 . 0 0 "[ . 1 . 2]" 1
1433 1 65 ILE H 1 65 ILE MD . . 4.100 3.426 2.557 3.753 . 0 0 "[ . 1 . 2]" 1
1434 1 65 ILE H 1 65 ILE HG12 . . 3.740 3.290 2.261 3.693 . 0 0 "[ . 1 . 2]" 1
1435 1 65 ILE H 1 65 ILE HG13 . . 4.050 2.443 2.046 3.818 . 0 0 "[ . 1 . 2]" 1
1436 1 65 ILE H 1 65 ILE MG . . 3.820 3.766 3.709 3.840 0.020 6 0 "[ . 1 . 2]" 1
1437 1 65 ILE H 1 66 LYS H . . 3.490 2.732 2.603 2.860 . 0 0 "[ . 1 . 2]" 1
1438 1 65 ILE H 1 67 GLN H . . 4.540 4.302 3.977 4.503 . 0 0 "[ . 1 . 2]" 1
1439 1 65 ILE H 1 91 VAL QG . . 4.810 3.344 3.004 3.886 . 0 0 "[ . 1 . 2]" 1
1440 1 65 ILE HA 1 65 ILE MD . . 4.060 3.571 2.129 3.883 . 0 0 "[ . 1 . 2]" 1
1441 1 65 ILE HA 1 65 ILE HG12 . . 4.080 2.622 2.193 3.588 . 0 0 "[ . 1 . 2]" 1
1442 1 65 ILE HA 1 65 ILE HG13 . . 3.730 3.086 2.754 3.790 0.060 9 0 "[ . 1 . 2]" 1
1443 1 65 ILE HA 1 65 ILE MG . . 3.310 2.383 2.219 2.565 . 0 0 "[ . 1 . 2]" 1
1444 1 65 ILE HA 1 66 LYS HA . . 4.940 4.823 4.737 4.881 . 0 0 "[ . 1 . 2]" 1
1445 1 65 ILE HA 1 68 HIS H . . 4.370 3.541 3.225 3.834 . 0 0 "[ . 1 . 2]" 1
1446 1 65 ILE HA 1 68 HIS HB2 . . 4.270 2.751 2.451 2.926 . 0 0 "[ . 1 . 2]" 1
1447 1 65 ILE HA 1 68 HIS HB3 . . 4.410 4.197 3.914 4.341 . 0 0 "[ . 1 . 2]" 1
1448 1 65 ILE HA 1 68 HIS HD2 . . 4.730 4.580 4.190 4.803 0.073 20 0 "[ . 1 . 2]" 1
1449 1 65 ILE HA 1 69 THR H . . 4.790 4.520 4.159 4.845 0.055 13 0 "[ . 1 . 2]" 1
1450 1 65 ILE HA 1 69 THR MG . . 5.290 5.053 3.579 5.411 0.121 15 0 "[ . 1 . 2]" 1
1451 1 65 ILE HB 1 65 ILE MD . . 3.300 2.522 2.274 3.312 0.012 9 0 "[ . 1 . 2]" 1
1452 1 65 ILE HB 1 66 LYS H . . 3.660 2.680 2.398 2.918 . 0 0 "[ . 1 . 2]" 1
1453 1 65 ILE MD 1 65 ILE MG . . 2.800 2.152 2.066 2.458 . 0 0 "[ . 1 . 2]" 1
1454 1 65 ILE MD 1 66 LYS H . . 5.220 4.656 4.433 4.956 . 0 0 "[ . 1 . 2]" 1
1455 1 65 ILE MD 1 84 VAL HA . . 4.890 4.846 4.349 4.978 0.088 4 0 "[ . 1 . 2]" 1
1456 1 65 ILE MD 1 87 MET HB2 . . 5.300 4.875 3.907 5.370 0.070 17 0 "[ . 1 . 2]" 1
1457 1 65 ILE MD 1 87 MET HB3 . . 5.010 3.596 2.478 4.674 . 0 0 "[ . 1 . 2]" 1
1458 1 65 ILE MD 1 87 MET ME . . 4.080 3.583 2.258 4.213 0.133 3 0 "[ . 1 . 2]" 1
1459 1 65 ILE MD 1 87 MET HG2 . . 3.750 3.107 2.229 3.816 0.066 17 0 "[ . 1 . 2]" 1
1460 1 65 ILE MD 1 88 GLU H . . 4.230 3.234 2.968 3.515 . 0 0 "[ . 1 . 2]" 1
1461 1 65 ILE MD 1 88 GLU HA . . 3.080 1.962 1.862 2.190 . 0 0 "[ . 1 . 2]" 1
1462 1 65 ILE MD 1 88 GLU HB2 . . 5.240 3.303 2.801 3.855 . 0 0 "[ . 1 . 2]" 1
1463 1 65 ILE MD 1 88 GLU HB3 . . 5.070 3.988 3.703 4.489 . 0 0 "[ . 1 . 2]" 1
1464 1 65 ILE MD 1 88 GLU HG2 . . 3.300 2.536 2.138 3.389 0.089 11 0 "[ . 1 . 2]" 1
1465 1 65 ILE MD 1 88 GLU HG3 . . 3.890 2.311 2.025 3.264 . 0 0 "[ . 1 . 2]" 1
1466 1 65 ILE MD 1 89 ARG H . . 5.330 4.896 4.662 5.171 . 0 0 "[ . 1 . 2]" 1
1467 1 65 ILE MD 1 91 VAL H . . 4.890 4.565 4.065 4.978 0.088 13 0 "[ . 1 . 2]" 1
1468 1 65 ILE MD 1 91 VAL HB . . 4.680 3.125 2.482 4.450 . 0 0 "[ . 1 . 2]" 1
1469 1 65 ILE MD 1 91 VAL QG . . 4.390 2.783 1.968 3.401 . 0 0 "[ . 1 . 2]" 1
1470 1 65 ILE HG12 1 91 VAL QG . . 4.120 3.022 2.499 3.505 . 0 0 "[ . 1 . 2]" 1
1471 1 65 ILE HG13 1 91 VAL QG . . 4.530 2.694 2.199 4.091 . 0 0 "[ . 1 . 2]" 1
1472 1 65 ILE MG 1 66 LYS H . . 3.970 3.452 3.065 3.702 . 0 0 "[ . 1 . 2]" 1
1473 1 65 ILE MG 1 66 LYS HA . . 4.390 3.633 3.271 3.822 . 0 0 "[ . 1 . 2]" 1
1474 1 65 ILE MG 1 66 LYS HB2 . . 5.310 4.712 4.294 5.126 . 0 0 "[ . 1 . 2]" 1
1475 1 65 ILE MG 1 66 LYS HB3 . . 5.400 5.351 5.093 5.493 0.093 11 0 "[ . 1 . 2]" 1
1476 1 65 ILE MG 1 67 GLN H . . 5.500 5.246 5.041 5.449 . 0 0 "[ . 1 . 2]" 1
1477 1 65 ILE MG 1 68 HIS H . . 5.500 4.717 4.137 5.011 . 0 0 "[ . 1 . 2]" 1
1478 1 65 ILE MG 1 68 HIS HB2 . . 4.720 4.066 3.460 4.323 . 0 0 "[ . 1 . 2]" 1
1479 1 65 ILE MG 1 69 THR H . . 5.500 4.365 4.155 4.538 . 0 0 "[ . 1 . 2]" 1
1480 1 65 ILE MG 1 69 THR MG . . 3.550 3.072 2.021 3.438 . 0 0 "[ . 1 . 2]" 1
1481 1 65 ILE MG 1 87 MET ME . . 4.250 2.482 2.015 3.923 . 0 0 "[ . 1 . 2]" 1
1482 1 65 ILE MG 1 88 GLU HG2 . . 4.870 4.765 4.013 4.975 0.105 5 0 "[ . 1 . 2]" 1
1483 1 66 LYS H 1 66 LYS HB2 . . 3.250 2.459 2.253 2.797 . 0 0 "[ . 1 . 2]" 1
1484 1 66 LYS H 1 66 LYS HB3 . . 3.320 2.507 2.359 2.744 . 0 0 "[ . 1 . 2]" 1
1485 1 66 LYS H 1 66 LYS QD . . 5.130 4.539 4.196 4.788 . 0 0 "[ . 1 . 2]" 1
1486 1 66 LYS H 1 66 LYS HG2 . . 4.310 4.405 4.380 4.628 0.318 18 0 "[ . 1 . 2]" 1
1487 1 66 LYS H 1 66 LYS HG3 . . 4.930 4.459 4.239 4.669 . 0 0 "[ . 1 . 2]" 1
1488 1 66 LYS H 1 67 GLN H . . 3.680 3.013 2.867 3.233 . 0 0 "[ . 1 . 2]" 1
1489 1 66 LYS HA 1 66 LYS QD . . 4.560 4.140 3.660 4.410 . 0 0 "[ . 1 . 2]" 1
1490 1 66 LYS HA 1 66 LYS QE . . 4.590 4.188 3.168 4.672 0.082 10 0 "[ . 1 . 2]" 1
1491 1 66 LYS HA 1 66 LYS HG2 . . 3.810 2.825 2.359 3.408 . 0 0 "[ . 1 . 2]" 1
1492 1 66 LYS HA 1 66 LYS HG3 . . 3.750 2.896 2.339 3.477 . 0 0 "[ . 1 . 2]" 1
1493 1 66 LYS HA 1 69 THR H . . 4.140 3.343 2.781 3.581 . 0 0 "[ . 1 . 2]" 1
1494 1 66 LYS HA 1 69 THR HB . . 3.920 2.835 2.246 4.014 0.094 13 0 "[ . 1 . 2]" 1
1495 1 66 LYS HA 1 69 THR MG . . 4.070 3.606 2.287 4.140 0.070 8 0 "[ . 1 . 2]" 1
1496 1 66 LYS HA 1 70 VAL QG . . 5.500 3.173 2.900 3.387 . 0 0 "[ . 1 . 2]" 1
1497 1 66 LYS HB2 1 66 LYS QE . . 4.590 2.924 1.838 3.989 . 0 0 "[ . 1 . 2]" 1
1498 1 66 LYS HB3 1 66 LYS QD . . 3.580 2.420 2.130 2.941 . 0 0 "[ . 1 . 2]" 1
1499 1 66 LYS HB3 1 66 LYS QE . . 3.970 2.618 1.951 3.658 . 0 0 "[ . 1 . 2]" 1
1500 1 66 LYS HB3 1 67 GLN H . . 3.220 2.493 2.165 2.768 . 0 0 "[ . 1 . 2]" 1
1501 1 66 LYS HB3 1 70 VAL QG . . 4.690 4.187 4.033 4.550 . 0 0 "[ . 1 . 2]" 1
1502 1 66 LYS QD 1 66 LYS HG2 . . 2.780 2.295 2.121 2.567 . 0 0 "[ . 1 . 2]" 1
1503 1 66 LYS QD 1 66 LYS HG3 . . 2.770 2.337 2.152 2.589 . 0 0 "[ . 1 . 2]" 1
1504 1 66 LYS QD 1 67 GLN QE . . 5.430 3.974 2.036 5.223 . 0 0 "[ . 1 . 2]" 1
1505 1 66 LYS QD 1 70 VAL QG . . 4.160 3.193 2.323 3.718 . 0 0 "[ . 1 . 2]" 1
1506 1 66 LYS QE 1 66 LYS HG3 . . 3.390 2.685 2.117 3.438 0.048 12 0 "[ . 1 . 2]" 1
1507 1 66 LYS QE 1 67 GLN H . . 5.160 4.218 2.682 5.251 0.091 1 0 "[ . 1 . 2]" 1
1508 1 66 LYS QE 1 70 VAL QG . . 4.440 3.485 1.828 4.218 . 0 0 "[ . 1 . 2]" 1
1509 1 66 LYS HG2 1 70 VAL HB . . 5.040 4.781 3.282 5.351 0.311 18 0 "[ . 1 . 2]" 1
1510 1 66 LYS HG2 1 70 VAL QG . . 3.900 2.415 2.091 2.753 . 0 0 "[ . 1 . 2]" 1
1511 1 66 LYS HG3 1 67 GLN H . . 4.870 4.735 4.329 4.951 0.081 13 0 "[ . 1 . 2]" 1
1512 1 66 LYS HG3 1 70 VAL QG . . 3.800 3.016 2.295 3.659 . 0 0 "[ . 1 . 2]" 1
1513 1 67 GLN H 1 67 GLN HB2 . . 3.410 2.415 2.209 2.657 . 0 0 "[ . 1 . 2]" 1
1514 1 67 GLN H 1 67 GLN HB3 . . 3.910 3.600 3.487 3.667 . 0 0 "[ . 1 . 2]" 1
1515 1 67 GLN H 1 67 GLN QE . . 5.340 4.142 3.627 4.702 . 0 0 "[ . 1 . 2]" 1
1516 1 67 GLN H 1 67 GLN QG . . 3.720 2.632 2.325 2.839 . 0 0 "[ . 1 . 2]" 1
1517 1 67 GLN H 1 68 HIS H . . 3.450 3.017 2.809 3.214 . 0 0 "[ . 1 . 2]" 1
1518 1 67 GLN H 1 68 HIS HD2 . . 5.010 4.629 4.044 5.057 0.047 7 0 "[ . 1 . 2]" 1
1519 1 67 GLN H 1 69 THR H . . 4.620 4.080 3.951 4.263 . 0 0 "[ . 1 . 2]" 1
1520 1 67 GLN HA 1 67 GLN QE . . 4.770 2.662 2.082 3.599 . 0 0 "[ . 1 . 2]" 1
1521 1 67 GLN HA 1 67 GLN QG . . 3.900 2.869 2.378 3.283 . 0 0 "[ . 1 . 2]" 1
1522 1 67 GLN HA 1 69 THR H . . 4.920 3.869 3.669 4.063 . 0 0 "[ . 1 . 2]" 1
1523 1 67 GLN HA 1 70 VAL QG . . 4.050 2.491 2.018 3.623 . 0 0 "[ . 1 . 2]" 1
1524 1 67 GLN HA 1 71 THR HB . . 5.150 3.113 2.327 3.649 . 0 0 "[ . 1 . 2]" 1
1525 1 67 GLN HB2 1 68 HIS H . . 4.250 2.816 2.167 3.884 . 0 0 "[ . 1 . 2]" 1
1526 1 67 GLN HB3 1 68 HIS H . . 4.140 3.446 2.951 4.238 0.098 16 0 "[ . 1 . 2]" 1
1527 1 67 GLN HB3 1 69 THR H . . 5.500 5.196 4.911 5.583 0.083 6 0 "[ . 1 . 2]" 1
1528 1 67 GLN HB3 1 71 THR MG . . 3.690 3.552 3.123 3.775 0.085 9 0 "[ . 1 . 2]" 1
1529 1 67 GLN QE 1 70 VAL QG . . 5.150 3.070 2.449 4.170 . 0 0 "[ . 1 . 2]" 1
1530 1 67 GLN QE 1 71 THR MG . . 4.630 4.110 3.102 4.483 . 0 0 "[ . 1 . 2]" 1
1531 1 67 GLN QG 1 68 HIS H . . 5.070 4.346 3.963 4.860 . 0 0 "[ . 1 . 2]" 1
1532 1 67 GLN QG 1 71 THR HB . . 5.230 4.706 4.408 4.989 . 0 0 "[ . 1 . 2]" 1
1533 1 68 HIS H 1 68 HIS HB2 . . 3.640 2.337 2.140 2.792 . 0 0 "[ . 1 . 2]" 1
1534 1 68 HIS H 1 68 HIS HB3 . . 3.500 3.558 3.462 3.714 0.214 13 0 "[ . 1 . 2]" 1
1535 1 68 HIS H 1 68 HIS HD2 . . 3.950 2.711 2.156 3.940 . 0 0 "[ . 1 . 2]" 1
1536 1 68 HIS H 1 69 THR H . . 3.750 2.676 1.715 3.096 . 0 0 "[ . 1 . 2]" 1
1537 1 68 HIS H 1 69 THR HB . . 5.020 5.012 3.956 5.125 0.105 16 0 "[ . 1 . 2]" 1
1538 1 68 HIS H 1 71 THR HB . . 4.520 4.495 4.287 4.603 0.083 7 0 "[ . 1 . 2]" 1
1539 1 68 HIS H 1 71 THR MG . . 5.150 5.211 4.668 5.270 0.120 11 0 "[ . 1 . 2]" 1
1540 1 68 HIS HA 1 68 HIS HD2 . . 4.150 3.487 3.242 3.670 . 0 0 "[ . 1 . 2]" 1
1541 1 68 HIS HA 1 68 HIS HE1 . . 5.110 4.824 4.464 5.025 . 0 0 "[ . 1 . 2]" 1
1542 1 68 HIS HA 1 70 VAL H . . 5.500 3.716 3.491 3.870 . 0 0 "[ . 1 . 2]" 1
1543 1 68 HIS HA 1 71 THR H . . 4.780 4.257 3.884 4.747 . 0 0 "[ . 1 . 2]" 1
1544 1 68 HIS HA 1 71 THR HB . . 3.810 3.554 2.887 3.890 0.080 4 0 "[ . 1 . 2]" 1
1545 1 68 HIS HA 1 71 THR MG . . 4.050 3.847 3.325 4.136 0.086 19 0 "[ . 1 . 2]" 1
1546 1 68 HIS HA 1 72 THR H . . 5.500 2.452 2.228 2.827 . 0 0 "[ . 1 . 2]" 1
1547 1 68 HIS HB2 1 68 HIS HE1 . . 5.170 5.334 5.277 5.377 0.207 17 0 "[ . 1 . 2]" 1
1548 1 68 HIS HB2 1 69 THR H . . 4.170 3.730 3.332 3.917 . 0 0 "[ . 1 . 2]" 1
1549 1 68 HIS HB2 1 79 PHE QE . . 5.330 4.349 3.818 5.084 . 0 0 "[ . 1 . 2]" 1
1550 1 68 HIS HB2 1 79 PHE HZ . . 4.410 3.540 3.105 4.227 . 0 0 "[ . 1 . 2]" 1
1551 1 68 HIS HB3 1 68 HIS HD2 . . 3.660 3.912 3.867 3.951 0.291 12 0 "[ . 1 . 2]" 1
1552 1 68 HIS HB3 1 69 THR H . . 4.320 4.152 3.874 4.246 . 0 0 "[ . 1 . 2]" 1
1553 1 68 HIS HD2 1 69 THR H . . 5.500 5.243 5.035 5.509 0.009 16 0 "[ . 1 . 2]" 1
1554 1 68 HIS HD2 1 71 THR HB . . 5.500 5.144 4.478 5.560 0.060 7 0 "[ . 1 . 2]" 1
1555 1 68 HIS HD2 1 72 THR MG . . 4.550 4.373 3.860 4.651 0.101 10 0 "[ . 1 . 2]" 1
1556 1 68 HIS HE1 1 71 THR MG . . 5.210 5.248 5.059 5.318 0.108 9 0 "[ . 1 . 2]" 1
1557 1 68 HIS HE1 1 72 THR MG . . 3.650 2.868 2.414 3.649 . 0 0 "[ . 1 . 2]" 1
1558 1 69 THR H 1 69 THR HB . . 3.490 2.706 2.375 3.571 0.081 16 0 "[ . 1 . 2]" 1
1559 1 69 THR H 1 69 THR MG . . 3.710 3.555 2.531 3.811 0.101 11 0 "[ . 1 . 2]" 1
1560 1 69 THR H 1 70 VAL H . . 3.200 2.125 1.987 2.382 . 0 0 "[ . 1 . 2]" 1
1561 1 69 THR H 1 70 VAL HB . . 5.500 5.302 3.766 5.595 0.095 1 0 "[ . 1 . 2]" 1
1562 1 69 THR H 1 70 VAL QG . . 4.600 3.166 2.741 3.653 . 0 0 "[ . 1 . 2]" 1
1563 1 69 THR H 1 71 THR H . . 3.980 3.972 3.837 4.068 0.088 9 0 "[ . 1 . 2]" 1
1564 1 69 THR HA 1 69 THR MG . . 3.510 2.404 2.192 2.587 . 0 0 "[ . 1 . 2]" 1
1565 1 69 THR HA 1 70 VAL H . . 3.420 3.255 3.128 3.365 . 0 0 "[ . 1 . 2]" 1
1566 1 69 THR HA 1 79 PHE QE . . 4.890 2.862 2.064 3.536 . 0 0 "[ . 1 . 2]" 1
1567 1 69 THR HA 1 79 PHE HZ . . 3.990 3.350 2.700 3.953 . 0 0 "[ . 1 . 2]" 1
1568 1 69 THR HB 1 70 VAL QG . . 4.390 3.167 2.811 3.549 . 0 0 "[ . 1 . 2]" 1
1569 1 69 THR HB 1 79 PHE HZ . . 5.240 5.099 4.435 5.327 0.087 18 0 "[ . 1 . 2]" 1
1570 1 69 THR MG 1 70 VAL H . . 4.240 4.265 4.050 4.340 0.100 17 0 "[ . 1 . 2]" 1
1571 1 69 THR MG 1 70 VAL QG . . 3.540 3.480 3.163 3.634 0.094 13 0 "[ . 1 . 2]" 1
1572 1 69 THR MG 1 79 PHE QE . . 5.180 2.645 2.162 3.185 . 0 0 "[ . 1 . 2]" 1
1573 1 69 THR MG 1 84 VAL QG . . 3.410 3.153 2.775 3.306 . 0 0 "[ . 1 . 2]" 1
1574 1 70 VAL H 1 70 VAL QG . . 3.030 2.455 2.287 2.950 . 0 0 "[ . 1 . 2]" 1
1575 1 70 VAL H 1 72 THR MG . . 5.440 5.243 4.235 5.533 0.093 20 0 "[ . 1 . 2]" 1
1576 1 70 VAL HA 1 70 VAL QG . . 2.930 2.411 2.173 2.656 . 0 0 "[ . 1 . 2]" 1
1577 1 70 VAL HA 1 71 THR H . . 3.620 3.566 3.445 3.619 . 0 0 "[ . 1 . 2]" 1
1578 1 70 VAL HA 1 73 THR H . . 4.580 4.223 3.960 4.547 . 0 0 "[ . 1 . 2]" 1
1579 1 70 VAL HA 1 73 THR HB . . 3.790 2.874 2.649 3.051 . 0 0 "[ . 1 . 2]" 1
1580 1 70 VAL HA 1 74 THR H . . 5.430 4.254 3.744 4.637 . 0 0 "[ . 1 . 2]" 1
1581 1 70 VAL HA 1 74 THR HB . . 3.920 3.997 3.901 4.014 0.094 13 0 "[ . 1 . 2]" 1
1582 1 70 VAL HB 1 71 THR H . . 3.580 3.415 2.191 3.677 0.097 4 0 "[ . 1 . 2]" 1
1583 1 70 VAL QG 1 71 THR H . . 3.770 1.989 1.742 2.677 . 0 0 "[ . 1 . 2]" 1
1584 1 70 VAL QG 1 71 THR HA . . 3.830 3.370 2.958 3.602 . 0 0 "[ . 1 . 2]" 1
1585 1 70 VAL QG 1 71 THR HB . . 5.240 3.448 3.054 4.175 . 0 0 "[ . 1 . 2]" 1
1586 1 70 VAL QG 1 72 THR H . . 4.900 4.490 4.318 4.719 . 0 0 "[ . 1 . 2]" 1
1587 1 70 VAL QG 1 73 THR H . . 5.500 4.742 4.610 4.892 . 0 0 "[ . 1 . 2]" 1
1588 1 70 VAL QG 1 74 THR H . . 5.500 4.928 4.464 5.209 . 0 0 "[ . 1 . 2]" 1
1589 1 71 THR H 1 71 THR HB . . 3.040 2.221 2.035 2.463 . 0 0 "[ . 1 . 2]" 1
1590 1 71 THR H 1 71 THR MG . . 3.720 3.647 3.512 3.800 0.080 4 0 "[ . 1 . 2]" 1
1591 1 71 THR HB 1 72 THR H . . 2.760 2.632 2.153 2.837 0.077 16 0 "[ . 1 . 2]" 1
1592 1 71 THR HB 1 72 THR MG . . 4.630 3.574 2.890 4.001 . 0 0 "[ . 1 . 2]" 1
1593 1 71 THR MG 1 72 THR H . . 3.000 2.571 2.137 2.841 . 0 0 "[ . 1 . 2]" 1
1594 1 71 THR MG 1 72 THR HA . . 3.030 3.127 3.100 3.140 0.110 14 0 "[ . 1 . 2]" 1
1595 1 71 THR MG 1 72 THR MG . . 3.210 2.269 2.054 3.133 . 0 0 "[ . 1 . 2]" 1
1596 1 71 THR MG 1 75 LYS QD . . 4.830 3.610 2.657 4.358 . 0 0 "[ . 1 . 2]" 1
1597 1 72 THR H 1 72 THR HA . . 2.730 2.808 2.793 2.825 0.095 10 0 "[ . 1 . 2]" 1
1598 1 72 THR H 1 72 THR HB . . 3.630 3.547 2.721 3.707 0.077 9 0 "[ . 1 . 2]" 1
1599 1 72 THR H 1 72 THR MG . . 3.370 2.307 1.867 2.585 . 0 0 "[ . 1 . 2]" 1
1600 1 72 THR H 1 73 THR H . . 2.940 2.691 2.459 2.865 . 0 0 "[ . 1 . 2]" 1
1601 1 72 THR H 1 77 GLU QG . . 5.100 4.886 4.621 5.202 0.102 16 0 "[ . 1 . 2]" 1
1602 1 72 THR HA 1 72 THR MG . . 2.950 2.207 2.045 3.067 0.117 14 0 "[ . 1 . 2]" 1
1603 1 72 THR HA 1 73 THR H . . 3.430 3.511 3.498 3.517 0.087 18 0 "[ . 1 . 2]" 1
1604 1 72 THR HA 1 75 LYS H . . 3.060 3.122 3.021 3.143 0.083 10 0 "[ . 1 . 2]" 1
1605 1 72 THR HA 1 75 LYS HB2 . . 4.810 2.416 2.160 2.616 . 0 0 "[ . 1 . 2]" 1
1606 1 72 THR HA 1 75 LYS QD . . 4.540 4.125 2.489 4.629 0.089 10 0 "[ . 1 . 2]" 1
1607 1 72 THR HA 1 75 LYS QE . . 5.120 4.063 2.363 5.205 0.085 9 0 "[ . 1 . 2]" 1
1608 1 72 THR HA 1 77 GLU QB . . 3.900 3.493 3.237 3.651 . 0 0 "[ . 1 . 2]" 1
1609 1 72 THR HA 1 77 GLU QG . . 4.530 4.633 4.615 4.645 0.115 14 0 "[ . 1 . 2]" 1
1610 1 72 THR HB 1 77 GLU QB . . 3.600 2.201 2.002 3.718 0.118 14 0 "[ . 1 . 2]" 1
1611 1 72 THR HB 1 77 GLU QG . . 4.260 2.584 2.363 3.934 . 0 0 "[ . 1 . 2]" 1
1612 1 72 THR MG 1 73 THR H . . 4.220 4.052 2.747 4.241 0.021 3 0 "[ . 1 . 2]" 1
1613 1 72 THR MG 1 73 THR HA . . 5.470 5.467 3.857 5.578 0.108 9 0 "[ . 1 . 2]" 1
1614 1 72 THR MG 1 74 THR H . . 5.040 5.128 4.983 5.160 0.120 8 0 "[ . 1 . 2]" 1
1615 1 72 THR MG 1 75 LYS QD . . 4.800 4.369 3.760 4.911 0.111 11 0 "[ . 1 . 2]" 1
1616 1 72 THR MG 1 75 LYS QE . . 5.140 4.256 2.598 5.271 0.131 14 0 "[ . 1 . 2]" 1
1617 1 72 THR MG 1 77 GLU H . . 5.330 4.991 4.361 5.238 . 0 0 "[ . 1 . 2]" 1
1618 1 72 THR MG 1 77 GLU QB . . 3.610 3.551 2.264 3.699 0.089 9 0 "[ . 1 . 2]" 1
1619 1 72 THR MG 1 77 GLU QG . . 3.680 3.587 2.017 3.780 0.100 1 0 "[ . 1 . 2]" 1
1620 1 73 THR H 1 73 THR HB . . 3.040 2.593 2.140 2.977 . 0 0 "[ . 1 . 2]" 1
1621 1 73 THR H 1 73 THR MG . . 3.470 3.576 3.551 3.590 0.120 1 0 "[ . 1 . 2]" 1
1622 1 73 THR H 1 74 THR H . . 3.180 2.839 2.700 3.020 . 0 0 "[ . 1 . 2]" 1
1623 1 73 THR H 1 77 GLU H . . 5.220 4.607 4.384 4.922 . 0 0 "[ . 1 . 2]" 1
1624 1 73 THR HA 1 73 THR MG . . 3.240 2.351 2.223 2.540 . 0 0 "[ . 1 . 2]" 1
1625 1 73 THR HA 1 74 THR H . . 3.480 3.499 3.408 3.549 0.069 11 0 "[ . 1 . 2]" 1
1626 1 73 THR HA 1 76 GLY H . . 4.370 3.900 3.277 4.429 0.059 15 0 "[ . 1 . 2]" 1
1627 1 73 THR HA 1 77 GLU H . . 4.020 3.015 2.679 3.326 . 0 0 "[ . 1 . 2]" 1
1628 1 73 THR HA 1 77 GLU QB . . 4.490 2.281 2.043 2.534 . 0 0 "[ . 1 . 2]" 1
1629 1 73 THR HA 1 78 ASN HA . . 4.810 4.041 3.380 4.875 0.065 18 0 "[ . 1 . 2]" 1
1630 1 73 THR HB 1 74 THR H . . 3.350 3.142 2.468 3.426 0.076 15 0 "[ . 1 . 2]" 1
1631 1 73 THR HB 1 77 GLU QB . . 4.850 4.621 4.241 4.910 0.060 11 0 "[ . 1 . 2]" 1
1632 1 73 THR MG 1 77 GLU QG . . 4.790 4.419 3.994 4.879 0.089 1 0 "[ . 1 . 2]" 1
1633 1 73 THR MG 1 78 ASN HA . . 5.130 2.945 2.277 3.944 . 0 0 "[ . 1 . 2]" 1
1634 1 74 THR H 1 74 THR HB . . 2.870 2.499 1.987 2.764 . 0 0 "[ . 1 . 2]" 1
1635 1 74 THR H 1 74 THR MG . . 3.540 2.689 2.383 2.981 . 0 0 "[ . 1 . 2]" 1
1636 1 74 THR H 1 77 GLU QB . . 5.240 4.584 4.227 4.823 . 0 0 "[ . 1 . 2]" 1
1637 1 74 THR MG 1 75 LYS H . . 4.470 3.171 2.643 3.435 . 0 0 "[ . 1 . 2]" 1
1638 1 74 THR MG 1 75 LYS HA . . 5.130 3.843 3.511 4.106 . 0 0 "[ . 1 . 2]" 1
1639 1 74 THR MG 1 75 LYS HB2 . . 4.070 4.111 3.972 4.173 0.103 4 0 "[ . 1 . 2]" 1
1640 1 74 THR MG 1 75 LYS HB3 . . 5.420 4.780 4.506 4.917 . 0 0 "[ . 1 . 2]" 1
1641 1 74 THR MG 1 75 LYS QD . . 4.590 3.895 3.493 4.319 . 0 0 "[ . 1 . 2]" 1
1642 1 74 THR MG 1 75 LYS QE . . 4.660 3.909 2.861 4.761 0.101 2 0 "[ . 1 . 2]" 1
1643 1 74 THR MG 1 75 LYS HG2 . . 2.990 3.039 2.715 3.084 0.094 6 0 "[ . 1 . 2]" 1
1644 1 74 THR MG 1 75 LYS HG3 . . 2.610 2.444 2.172 2.682 0.072 18 0 "[ . 1 . 2]" 1
1645 1 74 THR MG 1 76 GLY H . . 5.240 4.832 4.544 5.096 . 0 0 "[ . 1 . 2]" 1
1646 1 75 LYS H 1 75 LYS HB2 . . 3.430 2.486 2.375 2.571 . 0 0 "[ . 1 . 2]" 1
1647 1 75 LYS H 1 75 LYS HB3 . . 3.730 3.663 3.584 3.727 . 0 0 "[ . 1 . 2]" 1
1648 1 75 LYS H 1 75 LYS QD . . 4.650 4.537 3.885 4.732 0.082 10 0 "[ . 1 . 2]" 1
1649 1 75 LYS H 1 75 LYS HG2 . . 3.840 3.690 3.375 3.876 0.036 19 0 "[ . 1 . 2]" 1
1650 1 75 LYS H 1 75 LYS HG3 . . 4.120 2.967 2.478 3.276 . 0 0 "[ . 1 . 2]" 1
1651 1 75 LYS H 1 76 GLY H . . 3.400 2.509 1.951 2.981 . 0 0 "[ . 1 . 2]" 1
1652 1 75 LYS H 1 77 GLU H . . 4.390 3.321 3.154 3.785 . 0 0 "[ . 1 . 2]" 1
1653 1 75 LYS HA 1 75 LYS QD . . 3.860 3.832 3.426 3.966 0.106 7 0 "[ . 1 . 2]" 1
1654 1 75 LYS HA 1 75 LYS QE . . 4.270 4.090 3.150 4.369 0.099 4 0 "[ . 1 . 2]" 1
1655 1 75 LYS HA 1 75 LYS HG2 . . 3.700 2.322 2.144 2.501 . 0 0 "[ . 1 . 2]" 1
1656 1 75 LYS HA 1 75 LYS HG3 . . 3.490 3.232 2.974 3.497 0.007 13 0 "[ . 1 . 2]" 1
1657 1 75 LYS HA 1 76 GLY H . . 3.120 3.091 2.837 3.212 0.092 4 0 "[ . 1 . 2]" 1
1658 1 75 LYS HA 1 76 GLY HA2 . . 4.830 4.675 4.543 4.898 0.068 18 0 "[ . 1 . 2]" 1
1659 1 75 LYS HA 1 76 GLY HA3 . . 4.480 4.399 4.233 4.545 0.065 4 0 "[ . 1 . 2]" 1
1660 1 75 LYS HB2 1 75 LYS QE . . 4.340 3.072 1.918 4.138 . 0 0 "[ . 1 . 2]" 1
1661 1 75 LYS HB2 1 76 GLY H . . 4.370 3.986 3.418 4.305 . 0 0 "[ . 1 . 2]" 1
1662 1 75 LYS HB2 1 77 GLU H . . 4.820 4.018 3.501 4.265 . 0 0 "[ . 1 . 2]" 1
1663 1 75 LYS HB3 1 77 GLU H . . 4.900 4.895 4.638 4.970 0.070 17 0 "[ . 1 . 2]" 1
1664 1 75 LYS QD 1 75 LYS HG2 . . 2.740 2.289 2.132 2.454 . 0 0 "[ . 1 . 2]" 1
1665 1 75 LYS QE 1 75 LYS HG2 . . 3.900 2.731 2.237 3.388 . 0 0 "[ . 1 . 2]" 1
1666 1 75 LYS QE 1 75 LYS HG3 . . 3.830 2.651 2.160 3.359 . 0 0 "[ . 1 . 2]" 1
1667 1 75 LYS HG2 1 76 GLY H . . 5.220 5.026 4.843 5.193 . 0 0 "[ . 1 . 2]" 1
1668 1 75 LYS HG3 1 76 GLY H . . 5.230 5.034 4.601 5.294 0.064 15 0 "[ . 1 . 2]" 1
1669 1 76 GLY H 1 77 GLU H . . 3.400 2.551 2.256 2.899 . 0 0 "[ . 1 . 2]" 1
1670 1 76 GLY HA2 1 77 GLU HA . . 5.030 4.788 4.570 5.017 . 0 0 "[ . 1 . 2]" 1
1671 1 77 GLU H 1 77 GLU QB . . 3.060 2.139 2.028 2.256 . 0 0 "[ . 1 . 2]" 1
1672 1 77 GLU H 1 78 ASN H . . 4.720 4.607 4.522 4.725 0.005 4 0 "[ . 1 . 2]" 1
1673 1 77 GLU HA 1 77 GLU QG . . 3.130 2.959 2.318 3.188 0.058 13 0 "[ . 1 . 2]" 1
1674 1 77 GLU HA 1 78 ASN H . . 2.730 2.286 2.143 2.381 . 0 0 "[ . 1 . 2]" 1
1675 1 77 GLU HA 1 78 ASN HA . . 4.410 4.465 4.371 4.492 0.082 1 0 "[ . 1 . 2]" 1
1676 1 77 GLU HA 1 78 ASN HB2 . . 4.690 4.522 4.006 4.723 0.033 2 0 "[ . 1 . 2]" 1
1677 1 77 GLU HA 1 78 ASN HB3 . . 4.800 4.800 4.307 4.886 0.086 10 0 "[ . 1 . 2]" 1
1678 1 77 GLU QB 1 78 ASN H . . 3.350 3.423 3.232 3.452 0.102 9 0 "[ . 1 . 2]" 1
1679 1 77 GLU QB 1 79 PHE H . . 5.130 4.998 4.551 5.224 0.094 10 0 "[ . 1 . 2]" 1
1680 1 77 GLU QB 1 79 PHE QD . . 5.500 5.133 4.739 5.380 . 0 0 "[ . 1 . 2]" 1
1681 1 77 GLU QB 1 79 PHE QE . . 4.680 4.605 4.258 4.778 0.098 16 0 "[ . 1 . 2]" 1
1682 1 77 GLU QB 1 79 PHE HZ . . 5.080 5.063 4.337 5.183 0.103 2 0 "[ . 1 . 2]" 1
1683 1 77 GLU QG 1 78 ASN H . . 3.860 2.627 1.945 3.163 . 0 0 "[ . 1 . 2]" 1
1684 1 77 GLU QG 1 78 ASN HA . . 3.900 3.685 3.025 3.999 0.099 16 0 "[ . 1 . 2]" 1
1685 1 77 GLU QG 1 79 PHE QD . . 4.430 3.481 2.896 3.913 . 0 0 "[ . 1 . 2]" 1
1686 1 77 GLU QG 1 79 PHE QE . . 4.260 3.111 2.565 3.704 . 0 0 "[ . 1 . 2]" 1
1687 1 77 GLU QG 1 79 PHE HZ . . 4.690 3.853 3.342 4.647 . 0 0 "[ . 1 . 2]" 1
1688 1 78 ASN H 1 78 ASN HB2 . . 3.390 3.462 3.375 3.485 0.095 10 0 "[ . 1 . 2]" 1
1689 1 78 ASN H 1 78 ASN HB3 . . 3.350 3.258 2.868 3.374 0.024 12 0 "[ . 1 . 2]" 1
1690 1 78 ASN H 1 78 ASN HD21 . . 5.090 4.999 4.714 5.156 0.066 6 0 "[ . 1 . 2]" 1
1691 1 78 ASN H 1 79 PHE H . . 3.620 3.536 2.470 3.702 0.082 1 0 "[ . 1 . 2]" 1
1692 1 78 ASN HA 1 78 ASN HD22 . . 5.500 4.186 3.877 4.553 . 0 0 "[ . 1 . 2]" 1
1693 1 78 ASN HA 1 79 PHE H . . 2.810 2.246 1.909 2.685 . 0 0 "[ . 1 . 2]" 1
1694 1 78 ASN HA 1 79 PHE QD . . 4.750 4.209 3.618 4.857 0.107 18 0 "[ . 1 . 2]" 1
1695 1 78 ASN HD21 1 80 THR MG . . 5.500 4.635 3.850 5.581 0.081 2 0 "[ . 1 . 2]" 1
1696 1 78 ASN HD22 1 80 THR MG . . 5.310 4.857 4.246 5.276 . 0 0 "[ . 1 . 2]" 1
1697 1 79 PHE H 1 79 PHE HB2 . . 3.880 3.512 2.177 3.736 . 0 0 "[ . 1 . 2]" 1
1698 1 79 PHE H 1 79 PHE HB3 . . 3.330 3.348 3.083 3.480 0.150 18 0 "[ . 1 . 2]" 1
1699 1 79 PHE H 1 79 PHE QD . . 4.340 2.397 1.814 3.643 . 0 0 "[ . 1 . 2]" 1
1700 1 79 PHE H 1 80 THR H . . 5.390 4.504 4.376 4.655 . 0 0 "[ . 1 . 2]" 1
1701 1 79 PHE H 1 80 THR MG . . 5.500 5.510 5.160 5.611 0.111 15 0 "[ . 1 . 2]" 1
1702 1 79 PHE HA 1 79 PHE QD . . 3.750 3.645 2.146 3.766 0.016 17 0 "[ . 1 . 2]" 1
1703 1 79 PHE HA 1 80 THR H . . 3.280 2.322 2.214 2.434 . 0 0 "[ . 1 . 2]" 1
1704 1 79 PHE HA 1 80 THR MG . . 4.150 3.745 3.436 4.230 0.080 18 0 "[ . 1 . 2]" 1
1705 1 79 PHE HA 1 83 ASP HB3 . . 4.930 4.022 3.451 4.664 . 0 0 "[ . 1 . 2]" 1
1706 1 79 PHE HB2 1 80 THR H . . 4.690 2.478 2.097 3.518 . 0 0 "[ . 1 . 2]" 1
1707 1 79 PHE HB2 1 80 THR MG . . 4.730 4.777 4.545 5.247 0.517 18 1 "[ . 1 . + 2]" 1
1708 1 79 PHE HB2 1 83 ASP HB3 . . 4.860 2.230 1.954 5.578 0.718 18 1 "[ . 1 . + 2]" 1
1709 1 79 PHE HB2 1 84 VAL QG . . 3.800 2.822 2.143 3.286 . 0 0 "[ . 1 . 2]" 1
1710 1 79 PHE HB3 1 80 THR H . . 4.740 3.262 2.194 3.525 . 0 0 "[ . 1 . 2]" 1
1711 1 79 PHE HB3 1 84 VAL QG . . 4.130 3.977 2.044 4.200 0.070 16 0 "[ . 1 . 2]" 1
1712 1 79 PHE QD 1 80 THR H . . 4.220 4.166 3.462 4.305 0.085 9 0 "[ . 1 . 2]" 1
1713 1 79 PHE QD 1 83 ASP HB3 . . 4.070 3.799 2.715 4.151 0.081 6 0 "[ . 1 . 2]" 1
1714 1 79 PHE QD 1 84 VAL HA . . 4.190 4.287 4.257 4.304 0.114 18 0 "[ . 1 . 2]" 1
1715 1 79 PHE QD 1 84 VAL QG . . 4.120 2.221 1.972 2.702 . 0 0 "[ . 1 . 2]" 1
1716 1 79 PHE QD 1 87 MET ME . . 5.440 3.598 3.077 4.247 . 0 0 "[ . 1 . 2]" 1
1717 1 79 PHE QE 1 87 MET ME . . 4.700 2.462 2.064 2.896 . 0 0 "[ . 1 . 2]" 1
1718 1 79 PHE HZ 1 84 VAL QG . . 3.970 3.797 3.369 3.928 . 0 0 "[ . 1 . 2]" 1
1719 1 79 PHE HZ 1 87 MET ME . . 3.770 2.274 2.032 2.836 . 0 0 "[ . 1 . 2]" 1
1720 1 80 THR H 1 80 THR MG . . 3.270 2.756 2.362 3.383 0.113 18 0 "[ . 1 . 2]" 1
1721 1 80 THR H 1 82 THR H . . 5.500 4.973 4.570 5.278 . 0 0 "[ . 1 . 2]" 1
1722 1 80 THR H 1 83 ASP H . . 4.530 3.661 3.158 4.102 . 0 0 "[ . 1 . 2]" 1
1723 1 80 THR H 1 83 ASP HB2 . . 3.920 2.848 1.964 3.389 . 0 0 "[ . 1 . 2]" 1
1724 1 80 THR H 1 83 ASP HB3 . . 4.460 2.804 2.168 3.971 . 0 0 "[ . 1 . 2]" 1
1725 1 80 THR H 1 84 VAL H . . 5.310 4.138 3.271 4.564 . 0 0 "[ . 1 . 2]" 1
1726 1 80 THR HA 1 80 THR MG . . 3.100 2.132 2.024 2.205 . 0 0 "[ . 1 . 2]" 1
1727 1 80 THR HA 1 81 GLU H . . 3.230 2.326 2.184 2.413 . 0 0 "[ . 1 . 2]" 1
1728 1 80 THR HA 1 81 GLU HB3 . . 4.890 4.640 4.466 4.819 . 0 0 "[ . 1 . 2]" 1
1729 1 80 THR HA 1 81 GLU QG . . 4.090 4.014 3.664 4.076 . 0 0 "[ . 1 . 2]" 1
1730 1 80 THR HA 1 82 THR H . . 4.710 4.274 4.042 4.448 . 0 0 "[ . 1 . 2]" 1
1731 1 80 THR HB 1 81 GLU HA . . 5.010 4.796 4.640 5.023 0.013 18 0 "[ . 1 . 2]" 1
1732 1 80 THR HB 1 81 GLU QG . . 5.000 3.266 2.954 3.986 . 0 0 "[ . 1 . 2]" 1
1733 1 80 THR HB 1 82 THR H . . 3.190 2.536 2.168 2.865 . 0 0 "[ . 1 . 2]" 1
1734 1 80 THR HB 1 82 THR HB . . 3.230 3.295 3.154 3.322 0.092 6 0 "[ . 1 . 2]" 1
1735 1 80 THR HB 1 83 ASP H . . 3.620 3.357 2.843 3.688 0.068 2 0 "[ . 1 . 2]" 1
1736 1 80 THR HB 1 83 ASP HB3 . . 5.010 4.818 4.392 5.903 0.893 3 1 "[ + . 1 . 2]" 1
1737 1 80 THR HB 1 84 VAL H . . 5.200 4.950 4.677 5.182 . 0 0 "[ . 1 . 2]" 1
1738 1 80 THR MG 1 81 GLU H . . 3.800 3.344 3.068 3.594 . 0 0 "[ . 1 . 2]" 1
1739 1 80 THR MG 1 81 GLU HB3 . . 5.500 5.380 4.923 5.598 0.098 1 0 "[ . 1 . 2]" 1
1740 1 80 THR MG 1 81 GLU QG . . 5.440 3.995 3.777 4.265 . 0 0 "[ . 1 . 2]" 1
1741 1 80 THR MG 1 82 THR H . . 4.650 4.162 3.896 4.352 . 0 0 "[ . 1 . 2]" 1
1742 1 80 THR MG 1 82 THR HB . . 5.500 4.514 4.092 4.722 . 0 0 "[ . 1 . 2]" 1
1743 1 80 THR MG 1 83 ASP H . . 5.500 4.571 4.171 5.048 . 0 0 "[ . 1 . 2]" 1
1744 1 80 THR MG 1 84 VAL QG . . 4.920 4.938 4.815 4.971 0.051 18 0 "[ . 1 . 2]" 1
1745 1 81 GLU H 1 81 GLU HB2 . . 3.660 3.587 3.522 3.653 . 0 0 "[ . 1 . 2]" 1
1746 1 81 GLU H 1 81 GLU HB3 . . 3.400 2.470 2.359 2.650 . 0 0 "[ . 1 . 2]" 1
1747 1 81 GLU H 1 81 GLU QG . . 3.970 2.055 1.925 2.288 . 0 0 "[ . 1 . 2]" 1
1748 1 81 GLU H 1 82 THR H . . 3.560 2.953 2.893 3.052 . 0 0 "[ . 1 . 2]" 1
1749 1 81 GLU H 1 82 THR HA . . 5.420 5.473 5.397 5.499 0.079 7 0 "[ . 1 . 2]" 1
1750 1 81 GLU H 1 83 ASP H . . 5.500 4.279 4.154 4.448 . 0 0 "[ . 1 . 2]" 1
1751 1 81 GLU H 1 84 VAL QG . . 5.220 4.050 3.370 4.450 . 0 0 "[ . 1 . 2]" 1
1752 1 81 GLU HA 1 81 GLU HB3 . . 2.980 2.338 2.205 2.460 . 0 0 "[ . 1 . 2]" 1
1753 1 81 GLU HA 1 81 GLU QG . . 3.500 3.275 3.229 3.291 . 0 0 "[ . 1 . 2]" 1
1754 1 81 GLU HA 1 83 ASP H . . 5.500 4.083 3.393 4.479 . 0 0 "[ . 1 . 2]" 1
1755 1 81 GLU HA 1 84 VAL H . . 3.800 3.411 2.925 3.753 . 0 0 "[ . 1 . 2]" 1
1756 1 81 GLU HA 1 84 VAL HB . . 3.610 2.398 2.148 3.717 0.107 2 0 "[ . 1 . 2]" 1
1757 1 81 GLU HA 1 84 VAL QG . . 3.490 2.787 1.768 3.315 . 0 0 "[ . 1 . 2]" 1
1758 1 81 GLU HB2 1 82 THR H . . 3.870 3.860 3.621 3.943 0.073 3 0 "[ . 1 . 2]" 1
1759 1 81 GLU HB2 1 85 LYS QD . . 4.430 3.434 2.311 4.494 0.064 13 0 "[ . 1 . 2]" 1
1760 1 81 GLU HB3 1 82 THR H . . 4.020 4.090 4.033 4.114 0.094 4 0 "[ . 1 . 2]" 1
1761 1 81 GLU QG 1 82 THR H . . 4.910 2.188 1.840 2.301 . 0 0 "[ . 1 . 2]" 1
1762 1 81 GLU QG 1 82 THR HA . . 5.090 3.628 3.242 4.323 . 0 0 "[ . 1 . 2]" 1
1763 1 81 GLU QG 1 85 LYS QD . . 5.340 3.736 2.817 4.461 . 0 0 "[ . 1 . 2]" 1
1764 1 81 GLU QG 1 85 LYS QE . . 4.820 3.478 2.662 4.438 . 0 0 "[ . 1 . 2]" 1
1765 1 82 THR H 1 82 THR HB . . 3.170 2.448 2.247 2.723 . 0 0 "[ . 1 . 2]" 1
1766 1 82 THR H 1 82 THR MG . . 4.370 3.671 3.498 3.800 . 0 0 "[ . 1 . 2]" 1
1767 1 82 THR H 1 83 ASP H . . 3.730 2.668 2.386 2.823 . 0 0 "[ . 1 . 2]" 1
1768 1 82 THR H 1 83 ASP HB2 . . 5.500 4.641 4.234 5.193 . 0 0 "[ . 1 . 2]" 1
1769 1 82 THR H 1 84 VAL H . . 4.750 4.203 3.702 4.407 . 0 0 "[ . 1 . 2]" 1
1770 1 82 THR H 1 84 VAL QG . . 5.500 4.778 4.091 5.154 . 0 0 "[ . 1 . 2]" 1
1771 1 82 THR HA 1 82 THR MG . . 3.540 2.423 2.275 2.625 . 0 0 "[ . 1 . 2]" 1
1772 1 82 THR HA 1 84 VAL H . . 4.840 4.711 4.460 4.834 . 0 0 "[ . 1 . 2]" 1
1773 1 82 THR HA 1 85 LYS H . . 4.380 3.565 3.174 3.875 . 0 0 "[ . 1 . 2]" 1
1774 1 82 THR HA 1 85 LYS HB2 . . 4.240 2.621 2.343 2.886 . 0 0 "[ . 1 . 2]" 1
1775 1 82 THR HA 1 85 LYS HB3 . . 4.230 4.122 3.836 4.303 0.073 1 0 "[ . 1 . 2]" 1
1776 1 82 THR HA 1 85 LYS QD . . 4.550 2.632 2.033 4.196 . 0 0 "[ . 1 . 2]" 1
1777 1 82 THR HA 1 85 LYS QE . . 5.050 3.399 2.068 4.445 . 0 0 "[ . 1 . 2]" 1
1778 1 82 THR HA 1 86 MET H . . 5.230 4.594 4.226 4.951 . 0 0 "[ . 1 . 2]" 1
1779 1 82 THR HB 1 83 ASP H . . 3.790 2.965 2.525 3.680 . 0 0 "[ . 1 . 2]" 1
1780 1 82 THR MG 1 83 ASP H . . 4.550 3.912 3.669 4.194 . 0 0 "[ . 1 . 2]" 1
1781 1 82 THR MG 1 83 ASP HA . . 4.870 4.058 3.746 4.530 . 0 0 "[ . 1 . 2]" 1
1782 1 82 THR MG 1 85 LYS H . . 5.490 5.037 4.618 5.305 . 0 0 "[ . 1 . 2]" 1
1783 1 82 THR MG 1 85 LYS HB2 . . 5.040 4.026 3.543 4.481 . 0 0 "[ . 1 . 2]" 1
1784 1 82 THR MG 1 85 LYS QD . . 5.500 4.081 3.001 5.277 . 0 0 "[ . 1 . 2]" 1
1785 1 82 THR MG 1 85 LYS QE . . 5.500 4.517 3.061 5.579 0.079 2 0 "[ . 1 . 2]" 1
1786 1 82 THR MG 1 86 MET H . . 5.350 4.828 4.436 5.274 . 0 0 "[ . 1 . 2]" 1
1787 1 82 THR MG 1 86 MET ME . . 3.250 3.040 2.477 3.333 0.083 12 0 "[ . 1 . 2]" 1
1788 1 82 THR MG 1 86 MET HG2 . . 4.130 3.782 3.330 4.329 0.199 9 0 "[ . 1 . 2]" 1
1789 1 82 THR MG 1 86 MET HG3 . . 4.310 3.934 3.084 4.406 0.096 16 0 "[ . 1 . 2]" 1
1790 1 83 ASP H 1 83 ASP HB2 . . 3.960 2.365 2.012 2.768 . 0 0 "[ . 1 . 2]" 1
1791 1 83 ASP H 1 84 VAL H . . 3.680 2.288 1.944 2.467 . 0 0 "[ . 1 . 2]" 1
1792 1 83 ASP H 1 84 VAL HB . . 5.060 4.272 3.841 5.151 0.091 2 0 "[ . 1 . 2]" 1
1793 1 83 ASP H 1 84 VAL QG . . 4.980 3.781 3.228 3.983 . 0 0 "[ . 1 . 2]" 1
1794 1 83 ASP HA 1 86 MET H . . 4.000 3.191 2.908 3.605 . 0 0 "[ . 1 . 2]" 1
1795 1 83 ASP HA 1 86 MET HB2 . . 4.540 3.009 2.485 3.719 . 0 0 "[ . 1 . 2]" 1
1796 1 83 ASP HB2 1 84 VAL H . . 4.140 3.455 2.612 3.882 . 0 0 "[ . 1 . 2]" 1
1797 1 83 ASP HB3 1 84 VAL H . . 4.640 2.552 2.268 3.239 . 0 0 "[ . 1 . 2]" 1
1798 1 83 ASP HB3 1 84 VAL QG . . 5.370 3.245 2.841 3.776 . 0 0 "[ . 1 . 2]" 1
1799 1 84 VAL H 1 84 VAL HB . . 3.280 2.450 2.292 3.318 0.038 2 0 "[ . 1 . 2]" 1
1800 1 84 VAL H 1 84 VAL QG . . 3.070 2.150 2.058 2.301 . 0 0 "[ . 1 . 2]" 1
1801 1 84 VAL H 1 87 MET ME . . 5.500 4.885 4.207 5.343 . 0 0 "[ . 1 . 2]" 1
1802 1 84 VAL HA 1 84 VAL QG . . 3.100 2.162 2.062 2.465 . 0 0 "[ . 1 . 2]" 1
1803 1 84 VAL HA 1 87 MET H . . 4.610 3.432 3.116 3.799 . 0 0 "[ . 1 . 2]" 1
1804 1 84 VAL HA 1 87 MET HB2 . . 4.050 3.399 2.564 4.214 0.164 3 0 "[ . 1 . 2]" 1
1805 1 84 VAL HA 1 87 MET HB3 . . 4.160 2.777 2.403 3.239 . 0 0 "[ . 1 . 2]" 1
1806 1 84 VAL HA 1 87 MET ME . . 4.130 2.679 2.130 3.542 . 0 0 "[ . 1 . 2]" 1
1807 1 84 VAL HA 1 88 GLU H . . 4.500 4.227 3.964 4.542 0.042 18 0 "[ . 1 . 2]" 1
1808 1 84 VAL HB 1 85 LYS H . . 3.640 2.755 2.429 3.734 0.094 2 0 "[ . 1 . 2]" 1
1809 1 84 VAL QG 1 85 LYS H . . 3.970 3.187 2.281 3.369 . 0 0 "[ . 1 . 2]" 1
1810 1 84 VAL QG 1 85 LYS HA . . 4.470 3.573 3.339 3.793 . 0 0 "[ . 1 . 2]" 1
1811 1 84 VAL QG 1 85 LYS QD . . 5.500 4.747 3.797 5.223 . 0 0 "[ . 1 . 2]" 1
1812 1 84 VAL QG 1 85 LYS HG3 . . 3.910 3.594 2.363 3.923 0.013 9 0 "[ . 1 . 2]" 1
1813 1 84 VAL QG 1 86 MET H . . 5.500 4.627 4.335 4.763 . 0 0 "[ . 1 . 2]" 1
1814 1 84 VAL QG 1 87 MET HB2 . . 5.060 4.359 3.565 4.779 . 0 0 "[ . 1 . 2]" 1
1815 1 84 VAL QG 1 87 MET ME . . 3.940 2.801 1.993 3.510 . 0 0 "[ . 1 . 2]" 1
1816 1 84 VAL QG 1 88 GLU H . . 5.500 3.998 3.737 4.454 . 0 0 "[ . 1 . 2]" 1
1817 1 84 VAL QG 1 88 GLU HG3 . . 4.200 3.995 2.935 4.243 0.043 15 0 "[ . 1 . 2]" 1
1818 1 85 LYS H 1 85 LYS HB2 . . 3.470 2.204 2.131 2.280 . 0 0 "[ . 1 . 2]" 1
1819 1 85 LYS H 1 85 LYS HB3 . . 3.380 3.469 3.446 3.527 0.147 17 0 "[ . 1 . 2]" 1
1820 1 85 LYS H 1 85 LYS QD . . 3.940 3.485 3.077 4.042 0.102 18 0 "[ . 1 . 2]" 1
1821 1 85 LYS H 1 85 LYS QE . . 5.340 4.224 3.459 4.979 . 0 0 "[ . 1 . 2]" 1
1822 1 85 LYS H 1 85 LYS HG2 . . 4.050 3.866 3.432 4.106 0.056 10 0 "[ . 1 . 2]" 1
1823 1 85 LYS H 1 85 LYS HG3 . . 4.280 2.613 2.236 2.905 . 0 0 "[ . 1 . 2]" 1
1824 1 85 LYS H 1 86 MET H . . 3.270 2.829 2.685 2.910 . 0 0 "[ . 1 . 2]" 1
1825 1 85 LYS H 1 88 GLU H . . 5.500 4.630 4.409 4.851 . 0 0 "[ . 1 . 2]" 1
1826 1 85 LYS HA 1 85 LYS QD . . 4.090 4.012 3.851 4.080 . 0 0 "[ . 1 . 2]" 1
1827 1 85 LYS HA 1 85 LYS HG2 . . 4.030 2.628 2.307 2.924 . 0 0 "[ . 1 . 2]" 1
1828 1 85 LYS HA 1 85 LYS HG3 . . 3.890 2.613 2.308 2.862 . 0 0 "[ . 1 . 2]" 1
1829 1 85 LYS HA 1 88 GLU H . . 4.290 3.150 2.904 3.429 . 0 0 "[ . 1 . 2]" 1
1830 1 85 LYS HA 1 88 GLU HB2 . . 3.890 2.318 2.039 2.541 . 0 0 "[ . 1 . 2]" 1
1831 1 85 LYS HA 1 88 GLU HB3 . . 3.790 3.384 2.752 3.958 0.168 9 0 "[ . 1 . 2]" 1
1832 1 85 LYS HA 1 88 GLU HG2 . . 5.330 5.121 4.667 5.381 0.051 20 0 "[ . 1 . 2]" 1
1833 1 85 LYS HA 1 88 GLU HG3 . . 4.870 4.100 3.381 4.414 . 0 0 "[ . 1 . 2]" 1
1834 1 85 LYS HB2 1 86 MET H . . 3.620 3.040 2.803 3.306 . 0 0 "[ . 1 . 2]" 1
1835 1 85 LYS HB3 1 86 MET H . . 3.920 3.696 3.510 3.960 0.040 2 0 "[ . 1 . 2]" 1
1836 1 85 LYS QD 1 85 LYS HG3 . . 2.770 2.321 2.099 2.528 . 0 0 "[ . 1 . 2]" 1
1837 1 85 LYS QD 1 86 MET H . . 5.310 5.081 4.795 5.411 0.101 18 0 "[ . 1 . 2]" 1
1838 1 85 LYS HG2 1 86 MET H . . 5.500 5.361 5.103 5.479 . 0 0 "[ . 1 . 2]" 1
1839 1 86 MET H 1 86 MET HB2 . . 3.520 2.502 2.277 2.905 . 0 0 "[ . 1 . 2]" 1
1840 1 86 MET H 1 86 MET ME . . 4.630 4.464 4.002 4.678 0.048 2 0 "[ . 1 . 2]" 1
1841 1 86 MET H 1 86 MET HG2 . . 3.860 2.495 2.137 3.021 . 0 0 "[ . 1 . 2]" 1
1842 1 86 MET H 1 86 MET HG3 . . 3.960 3.312 2.418 3.939 . 0 0 "[ . 1 . 2]" 1
1843 1 86 MET H 1 87 MET H . . 3.720 2.453 2.243 2.678 . 0 0 "[ . 1 . 2]" 1
1844 1 86 MET H 1 88 GLU H . . 4.540 4.003 3.750 4.134 . 0 0 "[ . 1 . 2]" 1
1845 1 86 MET HA 1 86 MET ME . . 4.170 3.782 3.345 4.062 . 0 0 "[ . 1 . 2]" 1
1846 1 86 MET HA 1 86 MET HG2 . . 4.270 2.932 2.377 3.667 . 0 0 "[ . 1 . 2]" 1
1847 1 86 MET HA 1 86 MET HG3 . . 3.800 3.709 3.537 3.860 0.060 12 0 "[ . 1 . 2]" 1
1848 1 86 MET HA 1 88 GLU H . . 4.950 4.416 4.163 4.605 . 0 0 "[ . 1 . 2]" 1
1849 1 86 MET HA 1 89 ARG H . . 4.310 3.427 3.031 3.691 . 0 0 "[ . 1 . 2]" 1
1850 1 86 MET HA 1 90 VAL QG . . 4.850 3.986 3.659 4.338 . 0 0 "[ . 1 . 2]" 1
1851 1 86 MET HB2 1 87 MET H . . 4.420 2.650 2.516 2.880 . 0 0 "[ . 1 . 2]" 1
1852 1 86 MET HB3 1 86 MET ME . . 4.060 3.702 3.046 4.125 0.065 8 0 "[ . 1 . 2]" 1
1853 1 86 MET HB3 1 87 MET H . . 4.460 3.757 3.548 4.086 . 0 0 "[ . 1 . 2]" 1
1854 1 86 MET ME 1 86 MET HG2 . . 3.600 2.577 2.134 3.150 . 0 0 "[ . 1 . 2]" 1
1855 1 86 MET ME 1 86 MET HG3 . . 3.230 2.575 2.177 3.038 . 0 0 "[ . 1 . 2]" 1
1856 1 86 MET HG3 1 87 MET H . . 5.090 4.733 3.971 5.137 0.047 7 0 "[ . 1 . 2]" 1
1857 1 87 MET H 1 87 MET HB2 . . 3.810 2.535 2.218 3.351 . 0 0 "[ . 1 . 2]" 1
1858 1 87 MET H 1 87 MET HG3 . . 4.850 4.374 4.107 4.555 . 0 0 "[ . 1 . 2]" 1
1859 1 87 MET H 1 88 GLU H . . 3.860 2.831 2.689 3.002 . 0 0 "[ . 1 . 2]" 1
1860 1 87 MET H 1 89 ARG H . . 5.100 4.480 4.258 4.740 . 0 0 "[ . 1 . 2]" 1
1861 1 87 MET H 1 90 VAL QG . . 5.210 4.097 3.864 4.730 . 0 0 "[ . 1 . 2]" 1
1862 1 87 MET HA 1 87 MET HG3 . . 4.160 2.417 2.116 3.569 . 0 0 "[ . 1 . 2]" 1
1863 1 87 MET HA 1 88 GLU HA . . 4.900 4.858 4.722 4.941 0.041 2 0 "[ . 1 . 2]" 1
1864 1 87 MET HA 1 89 ARG H . . 5.380 4.574 4.259 4.851 . 0 0 "[ . 1 . 2]" 1
1865 1 87 MET HA 1 90 VAL H . . 4.190 3.667 3.419 3.959 . 0 0 "[ . 1 . 2]" 1
1866 1 87 MET HA 1 90 VAL QG . . 3.430 2.180 1.911 3.204 . 0 0 "[ . 1 . 2]" 1
1867 1 87 MET HA 1 91 VAL H . . 4.560 3.741 3.295 4.309 . 0 0 "[ . 1 . 2]" 1
1868 1 87 MET HA 1 91 VAL QG . . 4.930 3.447 3.158 4.014 . 0 0 "[ . 1 . 2]" 1
1869 1 87 MET HB2 1 87 MET ME . . 4.710 2.502 2.136 3.114 . 0 0 "[ . 1 . 2]" 1
1870 1 87 MET HB2 1 88 GLU H . . 3.930 3.952 3.659 4.174 0.244 3 0 "[ . 1 . 2]" 1
1871 1 87 MET HB2 1 90 VAL QG . . 5.500 4.028 3.408 4.943 . 0 0 "[ . 1 . 2]" 1
1872 1 87 MET HB3 1 88 GLU H . . 4.090 2.784 2.376 3.598 . 0 0 "[ . 1 . 2]" 1
1873 1 87 MET ME 1 88 GLU H . . 5.500 4.460 3.718 5.020 . 0 0 "[ . 1 . 2]" 1
1874 1 87 MET HG2 1 91 VAL QG . . 5.500 2.525 2.122 4.376 . 0 0 "[ . 1 . 2]" 1
1875 1 87 MET HG3 1 91 VAL HB . . 4.290 4.394 3.740 5.158 0.868 11 2 "[ . -1+ . 2]" 1
1876 1 88 GLU H 1 88 GLU HB2 . . 3.310 2.101 1.981 2.206 . 0 0 "[ . 1 . 2]" 1
1877 1 88 GLU H 1 88 GLU HB3 . . 3.560 3.184 2.879 3.494 . 0 0 "[ . 1 . 2]" 1
1878 1 88 GLU H 1 88 GLU HG2 . . 4.190 4.187 3.679 4.275 0.085 1 0 "[ . 1 . 2]" 1
1879 1 88 GLU H 1 88 GLU HG3 . . 3.790 3.641 2.847 3.878 0.088 3 0 "[ . 1 . 2]" 1
1880 1 88 GLU H 1 89 ARG H . . 3.590 2.996 2.803 3.162 . 0 0 "[ . 1 . 2]" 1
1881 1 88 GLU H 1 90 VAL H . . 4.660 4.673 4.567 4.725 0.065 14 0 "[ . 1 . 2]" 1
1882 1 88 GLU HA 1 88 GLU HG2 . . 3.250 2.267 2.123 2.592 . 0 0 "[ . 1 . 2]" 1
1883 1 88 GLU HA 1 88 GLU HG3 . . 4.010 2.809 2.495 3.318 . 0 0 "[ . 1 . 2]" 1
1884 1 88 GLU HA 1 91 VAL H . . 4.900 3.967 3.501 4.281 . 0 0 "[ . 1 . 2]" 1
1885 1 88 GLU HA 1 91 VAL HB . . 4.030 3.283 2.962 4.141 0.111 5 0 "[ . 1 . 2]" 1
1886 1 88 GLU HA 1 91 VAL QG . . 5.500 3.422 1.846 3.903 . 0 0 "[ . 1 . 2]" 1
1887 1 88 GLU HA 1 92 GLU H . . 4.240 3.970 3.639 4.177 . 0 0 "[ . 1 . 2]" 1
1888 1 88 GLU HB2 1 89 ARG H . . 3.830 3.282 2.775 3.599 . 0 0 "[ . 1 . 2]" 1
1889 1 88 GLU HB3 1 89 ARG H . . 4.130 2.662 2.293 3.083 . 0 0 "[ . 1 . 2]" 1
1890 1 88 GLU HG3 1 89 ARG H . . 5.280 5.049 4.858 5.232 . 0 0 "[ . 1 . 2]" 1
1891 1 89 ARG H 1 89 ARG HB2 . . 3.230 2.327 2.054 2.472 . 0 0 "[ . 1 . 2]" 1
1892 1 89 ARG H 1 89 ARG HB3 . . 3.590 3.524 3.264 3.613 0.023 9 0 "[ . 1 . 2]" 1
1893 1 89 ARG H 1 89 ARG QD . . 5.150 3.059 1.781 4.588 . 0 0 "[ . 1 . 2]" 1
1894 1 89 ARG H 1 89 ARG HG2 . . 3.810 3.257 2.218 3.929 0.119 5 0 "[ . 1 . 2]" 1
1895 1 89 ARG H 1 89 ARG HG3 . . 3.840 3.486 3.042 3.920 0.080 17 0 "[ . 1 . 2]" 1
1896 1 89 ARG H 1 90 VAL H . . 3.410 2.927 2.715 3.099 . 0 0 "[ . 1 . 2]" 1
1897 1 89 ARG H 1 90 VAL QG . . 4.850 3.899 3.589 4.440 . 0 0 "[ . 1 . 2]" 1
1898 1 89 ARG H 1 91 VAL H . . 4.870 4.460 4.069 4.642 . 0 0 "[ . 1 . 2]" 1
1899 1 89 ARG HA 1 89 ARG QD . . 3.610 2.792 2.122 3.279 . 0 0 "[ . 1 . 2]" 1
1900 1 89 ARG HA 1 89 ARG HG2 . . 3.760 3.088 2.285 3.807 0.047 17 0 "[ . 1 . 2]" 1
1901 1 89 ARG HA 1 89 ARG HG3 . . 3.770 3.025 2.205 3.821 0.051 19 0 "[ . 1 . 2]" 1
1902 1 89 ARG HA 1 90 VAL QG . . 5.500 4.538 4.422 4.802 . 0 0 "[ . 1 . 2]" 1
1903 1 89 ARG HA 1 92 GLU H . . 4.400 3.606 3.184 3.842 . 0 0 "[ . 1 . 2]" 1
1904 1 89 ARG HA 1 92 GLU HB3 . . 4.320 2.545 2.104 2.747 . 0 0 "[ . 1 . 2]" 1
1905 1 89 ARG HA 1 93 GLN H . . 4.710 4.232 3.696 4.754 0.044 4 0 "[ . 1 . 2]" 1
1906 1 89 ARG HB2 1 90 VAL H . . 3.480 2.539 2.345 2.964 . 0 0 "[ . 1 . 2]" 1
1907 1 89 ARG HB3 1 90 VAL H . . 3.940 3.202 2.709 3.473 . 0 0 "[ . 1 . 2]" 1
1908 1 89 ARG HB3 1 90 VAL QG . . 3.730 3.693 3.483 3.764 0.034 1 0 "[ . 1 . 2]" 1
1909 1 89 ARG HG2 1 90 VAL H . . 4.780 4.762 4.474 4.920 0.140 8 0 "[ . 1 . 2]" 1
1910 1 89 ARG HG3 1 90 VAL H . . 4.840 4.827 4.558 4.921 0.081 16 0 "[ . 1 . 2]" 1
1911 1 90 VAL H 1 90 VAL QG . . 3.400 1.972 1.752 2.449 . 0 0 "[ . 1 . 2]" 1
1912 1 90 VAL H 1 91 VAL H . . 3.490 2.940 2.780 3.109 . 0 0 "[ . 1 . 2]" 1
1913 1 90 VAL HA 1 90 VAL QG . . 3.260 2.270 2.031 2.451 . 0 0 "[ . 1 . 2]" 1
1914 1 90 VAL HA 1 93 GLN H . . 4.240 3.359 3.184 3.646 . 0 0 "[ . 1 . 2]" 1
1915 1 90 VAL HA 1 93 GLN HB2 . . 3.760 3.183 2.617 3.657 . 0 0 "[ . 1 . 2]" 1
1916 1 90 VAL HA 1 93 GLN QG . . 4.780 2.934 2.497 3.351 . 0 0 "[ . 1 . 2]" 1
1917 1 90 VAL HA 1 94 MET H . . 4.760 4.035 3.838 4.263 . 0 0 "[ . 1 . 2]" 1
1918 1 90 VAL HA 1 94 MET ME . . 5.220 4.489 3.984 4.904 . 0 0 "[ . 1 . 2]" 1
1919 1 90 VAL HB 1 91 VAL H . . 3.600 3.539 2.628 3.693 0.093 5 0 "[ . 1 . 2]" 1
1920 1 90 VAL HB 1 91 VAL QG . . 4.990 4.179 3.421 4.835 . 0 0 "[ . 1 . 2]" 1
1921 1 90 VAL HB 1 94 MET ME . . 3.990 3.378 2.767 4.103 0.113 16 0 "[ . 1 . 2]" 1
1922 1 90 VAL QG 1 91 VAL H . . 3.580 2.092 1.907 2.728 . 0 0 "[ . 1 . 2]" 1
1923 1 90 VAL QG 1 91 VAL QG . . 3.710 2.335 2.110 3.016 . 0 0 "[ . 1 . 2]" 1
1924 1 90 VAL QG 1 93 GLN H . . 4.850 4.482 4.422 4.525 . 0 0 "[ . 1 . 2]" 1
1925 1 90 VAL QG 1 94 MET H . . 4.880 4.551 4.060 4.659 . 0 0 "[ . 1 . 2]" 1
1926 1 90 VAL QG 1 94 MET ME . . 3.120 2.682 1.939 3.153 0.033 14 0 "[ . 1 . 2]" 1
1927 1 90 VAL QG 1 94 MET HG3 . . 4.830 3.729 2.907 4.124 . 0 0 "[ . 1 . 2]" 1
1928 1 91 VAL H 1 91 VAL HB . . 3.230 2.442 2.183 3.325 0.095 5 0 "[ . 1 . 2]" 1
1929 1 91 VAL H 1 91 VAL QG . . 3.260 2.227 1.854 2.408 . 0 0 "[ . 1 . 2]" 1
1930 1 91 VAL H 1 92 GLU H . . 3.590 2.838 2.678 3.037 . 0 0 "[ . 1 . 2]" 1
1931 1 91 VAL H 1 93 GLN H . . 5.360 4.260 4.041 4.582 . 0 0 "[ . 1 . 2]" 1
1932 1 91 VAL H 1 94 MET H . . 5.500 4.784 4.607 5.024 . 0 0 "[ . 1 . 2]" 1
1933 1 91 VAL H 1 94 MET ME . . 4.480 3.902 3.507 4.457 . 0 0 "[ . 1 . 2]" 1
1934 1 91 VAL HA 1 91 VAL QG . . 3.200 2.202 2.122 2.466 . 0 0 "[ . 1 . 2]" 1
1935 1 91 VAL HA 1 94 MET H . . 4.090 3.396 2.980 3.612 . 0 0 "[ . 1 . 2]" 1
1936 1 91 VAL HA 1 94 MET HB2 . . 3.570 2.655 2.397 2.753 . 0 0 "[ . 1 . 2]" 1
1937 1 91 VAL HA 1 94 MET HB3 . . 4.300 4.325 4.092 4.376 0.076 11 0 "[ . 1 . 2]" 1
1938 1 91 VAL HA 1 94 MET ME . . 2.950 2.499 2.101 3.020 0.070 14 0 "[ . 1 . 2]" 1
1939 1 91 VAL HA 1 94 MET HG3 . . 4.800 3.599 2.637 4.038 . 0 0 "[ . 1 . 2]" 1
1940 1 91 VAL HB 1 92 GLU H . . 4.150 3.071 2.754 4.205 0.055 9 0 "[ . 1 . 2]" 1
1941 1 91 VAL QG 1 92 GLU H . . 4.190 3.194 2.345 3.450 . 0 0 "[ . 1 . 2]" 1
1942 1 91 VAL QG 1 92 GLU HA . . 5.040 3.619 3.478 3.782 . 0 0 "[ . 1 . 2]" 1
1943 1 91 VAL QG 1 94 MET ME . . 5.310 2.812 2.324 3.279 . 0 0 "[ . 1 . 2]" 1
1944 1 91 VAL QG 1 95 CYS H . . 5.190 4.107 3.836 4.679 . 0 0 "[ . 1 . 2]" 1
1945 1 92 GLU H 1 92 GLU HB2 . . 3.760 2.743 2.387 2.949 . 0 0 "[ . 1 . 2]" 1
1946 1 92 GLU H 1 92 GLU HB3 . . 3.180 2.049 1.965 2.129 . 0 0 "[ . 1 . 2]" 1
1947 1 92 GLU H 1 92 GLU HG2 . . 3.850 3.935 3.924 3.944 0.094 14 0 "[ . 1 . 2]" 1
1948 1 92 GLU H 1 92 GLU HG3 . . 4.510 4.399 4.312 4.464 . 0 0 "[ . 1 . 2]" 1
1949 1 92 GLU H 1 93 GLN H . . 3.630 2.794 2.682 3.076 . 0 0 "[ . 1 . 2]" 1
1950 1 92 GLU H 1 93 GLN HA . . 5.500 5.368 5.258 5.554 0.054 16 0 "[ . 1 . 2]" 1
1951 1 92 GLU HA 1 92 GLU HG2 . . 3.790 3.511 3.363 3.637 . 0 0 "[ . 1 . 2]" 1
1952 1 92 GLU HA 1 92 GLU HG3 . . 3.790 2.881 2.721 3.001 . 0 0 "[ . 1 . 2]" 1
1953 1 92 GLU HA 1 95 CYS H . . 4.440 3.708 3.517 3.892 . 0 0 "[ . 1 . 2]" 1
1954 1 92 GLU HA 1 95 CYS HB2 . . 4.800 3.404 2.436 4.647 . 0 0 "[ . 1 . 2]" 1
1955 1 92 GLU HA 1 95 CYS HB3 . . 4.330 3.706 2.793 4.627 0.297 20 0 "[ . 1 . 2]" 1
1956 1 92 GLU HB3 1 93 GLN H . . 4.760 2.828 2.671 3.153 . 0 0 "[ . 1 . 2]" 1
1957 1 92 GLU HB3 1 93 GLN QG . . 4.060 3.670 3.523 3.800 . 0 0 "[ . 1 . 2]" 1
1958 1 92 GLU HG2 1 93 GLN QG . . 3.670 2.644 2.194 2.997 . 0 0 "[ . 1 . 2]" 1
1959 1 92 GLU HG3 1 93 GLN H . . 5.080 4.126 3.876 4.397 . 0 0 "[ . 1 . 2]" 1
1960 1 92 GLU HG3 1 93 GLN HA . . 5.060 4.127 3.744 4.441 . 0 0 "[ . 1 . 2]" 1
1961 1 92 GLU HG3 1 96 VAL H . . 5.100 4.873 4.231 5.168 0.068 5 0 "[ . 1 . 2]" 1
1962 1 93 GLN H 1 93 GLN HB2 . . 3.010 2.694 2.481 2.899 . 0 0 "[ . 1 . 2]" 1
1963 1 93 GLN H 1 93 GLN QG . . 3.840 2.341 2.130 2.550 . 0 0 "[ . 1 . 2]" 1
1964 1 93 GLN H 1 94 MET H . . 3.500 2.622 2.428 2.753 . 0 0 "[ . 1 . 2]" 1
1965 1 93 GLN H 1 94 MET HG3 . . 5.310 4.301 3.991 4.560 . 0 0 "[ . 1 . 2]" 1
1966 1 93 GLN H 1 95 CYS H . . 4.940 3.994 3.821 4.222 . 0 0 "[ . 1 . 2]" 1
1967 1 93 GLN HA 1 93 GLN QG . . 3.640 2.475 2.350 2.692 . 0 0 "[ . 1 . 2]" 1
1968 1 93 GLN HA 1 94 MET H . . 3.620 3.576 3.458 3.634 0.014 3 0 "[ . 1 . 2]" 1
1969 1 93 GLN HA 1 95 CYS H . . 5.380 4.183 3.774 4.473 . 0 0 "[ . 1 . 2]" 1
1970 1 93 GLN HA 1 96 VAL H . . 4.180 3.589 3.345 4.006 . 0 0 "[ . 1 . 2]" 1
1971 1 93 GLN HA 1 96 VAL HB . . 3.430 3.256 2.798 3.518 0.088 20 0 "[ . 1 . 2]" 1
1972 1 93 GLN HA 1 96 VAL QG . . 3.680 2.736 1.977 3.195 . 0 0 "[ . 1 . 2]" 1
1973 1 93 GLN HA 1 97 THR H . . 4.880 4.564 4.183 4.940 0.060 5 0 "[ . 1 . 2]" 1
1974 1 93 GLN HB2 1 94 MET H . . 3.980 2.681 2.502 2.910 . 0 0 "[ . 1 . 2]" 1
1975 1 93 GLN HB2 1 94 MET HG2 . . 3.770 3.846 3.824 3.856 0.086 17 0 "[ . 1 . 2]" 1
1976 1 93 GLN QG 1 94 MET H . . 4.890 3.954 3.637 4.207 . 0 0 "[ . 1 . 2]" 1
1977 1 94 MET H 1 94 MET HB2 . . 3.500 2.419 2.276 2.624 . 0 0 "[ . 1 . 2]" 1
1978 1 94 MET H 1 94 MET HB3 . . 3.900 3.562 3.513 3.627 . 0 0 "[ . 1 . 2]" 1
1979 1 94 MET H 1 94 MET ME . . 4.070 3.750 3.546 3.979 . 0 0 "[ . 1 . 2]" 1
1980 1 94 MET H 1 94 MET HG2 . . 4.170 3.121 2.881 3.314 . 0 0 "[ . 1 . 2]" 1
1981 1 94 MET H 1 94 MET HG3 . . 3.790 2.310 2.137 2.516 . 0 0 "[ . 1 . 2]" 1
1982 1 94 MET H 1 95 CYS H . . 3.270 2.595 2.419 2.764 . 0 0 "[ . 1 . 2]" 1
1983 1 94 MET H 1 97 THR HB . . 5.500 5.329 5.012 5.588 0.088 15 0 "[ . 1 . 2]" 1
1984 1 94 MET HA 1 94 MET ME . . 4.760 4.388 4.213 4.556 . 0 0 "[ . 1 . 2]" 1
1985 1 94 MET HA 1 94 MET HG2 . . 3.780 2.405 2.197 2.645 . 0 0 "[ . 1 . 2]" 1
1986 1 94 MET HA 1 94 MET HG3 . . 4.030 3.298 3.139 3.446 . 0 0 "[ . 1 . 2]" 1
1987 1 94 MET HA 1 97 THR H . . 4.150 3.753 3.514 4.053 . 0 0 "[ . 1 . 2]" 1
1988 1 94 MET HA 1 97 THR HB . . 3.200 3.048 2.724 3.298 0.098 7 0 "[ . 1 . 2]" 1
1989 1 94 MET HA 1 97 THR MG . . 4.650 3.187 1.885 3.847 . 0 0 "[ . 1 . 2]" 1
1990 1 94 MET HA 1 98 GLN H . . 5.040 4.233 3.951 4.465 . 0 0 "[ . 1 . 2]" 1
1991 1 94 MET HB2 1 94 MET ME . . 3.030 2.195 1.924 2.388 . 0 0 "[ . 1 . 2]" 1
1992 1 94 MET HB2 1 95 CYS H . . 3.980 2.953 2.659 3.336 . 0 0 "[ . 1 . 2]" 1
1993 1 94 MET HB3 1 95 CYS H . . 4.350 3.920 3.668 4.243 . 0 0 "[ . 1 . 2]" 1
1994 1 94 MET HB3 1 97 THR MG . . 4.820 4.358 3.345 4.901 0.081 1 0 "[ . 1 . 2]" 1
1995 1 94 MET ME 1 94 MET HG3 . . 3.730 2.522 2.315 2.739 . 0 0 "[ . 1 . 2]" 1
1996 1 94 MET ME 1 95 CYS H . . 4.550 4.635 4.504 4.678 0.128 15 0 "[ . 1 . 2]" 1
1997 1 95 CYS H 1 95 CYS HB2 . . 3.590 2.508 2.247 2.912 . 0 0 "[ . 1 . 2]" 1
1998 1 95 CYS H 1 95 CYS HB3 . . 3.830 3.092 2.426 3.667 . 0 0 "[ . 1 . 2]" 1
1999 1 95 CYS H 1 96 VAL H . . 3.700 2.522 2.154 2.777 . 0 0 "[ . 1 . 2]" 1
2000 1 95 CYS H 1 96 VAL HB . . 4.690 4.513 4.181 4.789 0.099 16 0 "[ . 1 . 2]" 1
2001 1 95 CYS H 1 96 VAL QG . . 4.540 4.101 2.934 4.464 . 0 0 "[ . 1 . 2]" 1
2002 1 95 CYS H 1 97 THR H . . 4.780 4.046 3.752 4.270 . 0 0 "[ . 1 . 2]" 1
2003 1 95 CYS HA 1 98 GLN H . . 4.240 2.930 2.297 3.179 . 0 0 "[ . 1 . 2]" 1
2004 1 95 CYS HA 1 98 GLN HA . . 4.890 4.755 4.121 4.964 0.074 4 0 "[ . 1 . 2]" 1
2005 1 95 CYS HA 1 98 GLN HB2 . . 4.320 2.604 2.130 3.049 . 0 0 "[ . 1 . 2]" 1
2006 1 95 CYS HA 1 98 GLN HB3 . . 4.250 2.442 2.107 2.863 . 0 0 "[ . 1 . 2]" 1
2007 1 95 CYS HA 1 99 TYR H . . 5.440 3.862 3.587 4.154 . 0 0 "[ . 1 . 2]" 1
2008 1 95 CYS HB2 1 96 VAL H . . 4.760 3.369 2.488 4.126 . 0 0 "[ . 1 . 2]" 1
2009 1 95 CYS HB3 1 96 VAL H . . 4.530 3.207 2.479 3.660 . 0 0 "[ . 1 . 2]" 1
2010 1 96 VAL H 1 96 VAL HB . . 3.380 2.240 1.972 2.994 . 0 0 "[ . 1 . 2]" 1
2011 1 96 VAL H 1 96 VAL QG . . 3.120 2.505 1.621 2.838 . 0 0 "[ . 1 . 2]" 1
2012 1 96 VAL H 1 97 THR H . . 3.670 2.704 2.620 2.868 . 0 0 "[ . 1 . 2]" 1
2013 1 96 VAL H 1 97 THR HB . . 5.110 4.423 4.186 4.893 . 0 0 "[ . 1 . 2]" 1
2014 1 96 VAL H 1 98 GLN H . . 5.500 4.042 3.769 4.281 . 0 0 "[ . 1 . 2]" 1
2015 1 96 VAL HA 1 96 VAL QG . . 3.120 2.151 2.081 2.214 . 0 0 "[ . 1 . 2]" 1
2016 1 96 VAL HA 1 99 TYR H . . 4.390 3.584 3.139 3.786 . 0 0 "[ . 1 . 2]" 1
2017 1 96 VAL HA 1 99 TYR HB2 . . 4.120 3.724 3.470 4.097 . 0 0 "[ . 1 . 2]" 1
2018 1 96 VAL HA 1 99 TYR HB3 . . 4.270 2.987 2.620 3.211 . 0 0 "[ . 1 . 2]" 1
2019 1 96 VAL HA 1 99 TYR QD . . 4.820 4.325 3.743 4.674 . 0 0 "[ . 1 . 2]" 1
2020 1 96 VAL HA 1 100 GLN H . . 4.920 4.586 4.221 4.934 0.014 20 0 "[ . 1 . 2]" 1
2021 1 96 VAL HB 1 97 THR H . . 3.420 3.197 2.333 3.490 0.070 9 0 "[ . 1 . 2]" 1
2022 1 96 VAL HB 1 97 THR HB . . 4.980 4.820 3.799 5.072 0.092 5 0 "[ . 1 . 2]" 1
2023 1 96 VAL QG 1 97 THR H . . 4.040 2.350 2.002 3.162 . 0 0 "[ . 1 . 2]" 1
2024 1 96 VAL QG 1 97 THR MG . . 4.080 4.113 4.032 4.150 0.070 17 0 "[ . 1 . 2]" 1
2025 1 96 VAL QG 1 99 TYR H . . 5.020 4.509 4.330 4.594 . 0 0 "[ . 1 . 2]" 1
2026 1 96 VAL QG 1 99 TYR HB2 . . 5.500 4.646 4.310 4.975 . 0 0 "[ . 1 . 2]" 1
2027 1 96 VAL QG 1 99 TYR QD . . 4.380 4.042 3.382 4.356 . 0 0 "[ . 1 . 2]" 1
2028 1 96 VAL QG 1 100 GLN HE21 . . 4.040 2.559 2.246 3.097 . 0 0 "[ . 1 . 2]" 1
2029 1 96 VAL QG 1 100 GLN HE22 . . 4.080 2.857 2.263 3.841 . 0 0 "[ . 1 . 2]" 1
2030 1 96 VAL QG 1 100 GLN HG2 . . 5.500 4.750 4.353 5.232 . 0 0 "[ . 1 . 2]" 1
2031 1 96 VAL QG 1 100 GLN HG3 . . 4.210 3.782 3.379 4.220 0.010 20 0 "[ . 1 . 2]" 1
2032 1 97 THR H 1 97 THR HB . . 3.290 2.004 1.852 2.362 . 0 0 "[ . 1 . 2]" 1
2033 1 97 THR H 1 97 THR MG . . 4.020 3.115 1.933 3.560 . 0 0 "[ . 1 . 2]" 1
2034 1 97 THR H 1 98 GLN H . . 3.930 2.601 2.466 2.747 . 0 0 "[ . 1 . 2]" 1
2035 1 97 THR H 1 100 GLN HE22 . . 5.500 5.019 4.535 5.573 0.073 17 0 "[ . 1 . 2]" 1
2036 1 97 THR HA 1 97 THR MG . . 3.160 2.913 2.709 3.202 0.042 15 0 "[ . 1 . 2]" 1
2037 1 97 THR HA 1 99 TYR H . . 4.550 4.432 4.098 4.615 0.065 8 0 "[ . 1 . 2]" 1
2038 1 97 THR HA 1 100 GLN H . . 4.090 3.268 2.736 3.572 . 0 0 "[ . 1 . 2]" 1
2039 1 97 THR HA 1 100 GLN HB2 . . 3.690 2.747 2.374 3.438 . 0 0 "[ . 1 . 2]" 1
2040 1 97 THR HA 1 100 GLN HG2 . . 4.750 4.658 4.056 4.840 0.090 2 0 "[ . 1 . 2]" 1
2041 1 97 THR HA 1 100 GLN HG3 . . 4.700 3.472 2.848 3.972 . 0 0 "[ . 1 . 2]" 1
2042 1 97 THR HB 1 98 GLN H . . 3.780 3.110 2.473 3.787 0.007 16 0 "[ . 1 . 2]" 1
2043 1 97 THR MG 1 98 GLN H . . 4.160 2.625 1.842 3.063 . 0 0 "[ . 1 . 2]" 1
2044 1 97 THR MG 1 98 GLN HA . . 4.520 3.158 2.822 3.424 . 0 0 "[ . 1 . 2]" 1
2045 1 97 THR MG 1 98 GLN HB3 . . 4.880 4.682 3.721 4.977 0.097 10 0 "[ . 1 . 2]" 1
2046 1 97 THR MG 1 99 TYR H . . 5.270 4.760 4.135 5.066 . 0 0 "[ . 1 . 2]" 1
2047 1 97 THR MG 1 100 GLN HB2 . . 4.830 4.249 3.457 4.933 0.103 15 0 "[ . 1 . 2]" 1
2048 1 97 THR MG 1 101 LYS QD . . 3.720 3.001 2.121 3.818 0.098 8 0 "[ . 1 . 2]" 1
2049 1 97 THR MG 1 101 LYS QE . . 3.760 3.353 2.202 3.892 0.132 13 0 "[ . 1 . 2]" 1
2050 1 97 THR MG 1 101 LYS HG2 . . 5.160 4.505 3.779 5.250 0.090 15 0 "[ . 1 . 2]" 1
2051 1 97 THR MG 1 101 LYS HG3 . . 3.740 3.339 2.601 3.858 0.118 20 0 "[ . 1 . 2]" 1
2052 1 98 GLN H 1 98 GLN HB2 . . 3.790 2.311 2.135 2.472 . 0 0 "[ . 1 . 2]" 1
2053 1 98 GLN H 1 98 GLN HB3 . . 3.900 2.751 2.518 3.028 . 0 0 "[ . 1 . 2]" 1
2054 1 98 GLN H 1 98 GLN HG2 . . 5.390 4.591 4.467 4.679 . 0 0 "[ . 1 . 2]" 1
2055 1 98 GLN H 1 98 GLN HG3 . . 5.480 4.503 4.386 4.580 . 0 0 "[ . 1 . 2]" 1
2056 1 98 GLN H 1 99 TYR H . . 4.000 2.861 2.756 3.001 . 0 0 "[ . 1 . 2]" 1
2057 1 98 GLN H 1 100 GLN H . . 5.500 4.288 4.154 4.509 . 0 0 "[ . 1 . 2]" 1
2058 1 98 GLN HA 1 98 GLN HE21 . . 5.060 3.361 2.655 4.354 . 0 0 "[ . 1 . 2]" 1
2059 1 98 GLN HA 1 98 GLN HE22 . . 5.200 3.733 3.372 4.221 . 0 0 "[ . 1 . 2]" 1
2060 1 98 GLN HA 1 101 LYS H . . 4.190 3.413 3.234 3.692 . 0 0 "[ . 1 . 2]" 1
2061 1 98 GLN HA 1 101 LYS QB . . 3.990 2.749 2.286 3.327 . 0 0 "[ . 1 . 2]" 1
2062 1 98 GLN HA 1 101 LYS QD . . 3.920 2.653 2.117 3.462 . 0 0 "[ . 1 . 2]" 1
2063 1 98 GLN HA 1 101 LYS QE . . 4.900 4.272 3.325 4.835 . 0 0 "[ . 1 . 2]" 1
2064 1 98 GLN HA 1 101 LYS HG2 . . 5.090 4.739 4.225 5.090 . 0 0 "[ . 1 . 2]" 1
2065 1 98 GLN HA 1 102 GLU H . . 5.500 4.062 3.690 4.746 . 0 0 "[ . 1 . 2]" 1
2066 1 98 GLN HB2 1 99 TYR H . . 4.540 3.854 3.530 4.049 . 0 0 "[ . 1 . 2]" 1
2067 1 98 GLN HB3 1 99 TYR H . . 4.270 2.731 2.557 2.889 . 0 0 "[ . 1 . 2]" 1
2068 1 98 GLN HE21 1 102 GLU H . . 5.500 4.149 3.086 5.553 0.053 15 0 "[ . 1 . 2]" 1
2069 1 98 GLN HE21 1 102 GLU HG2 . . 5.040 3.242 1.764 5.030 . 0 0 "[ . 1 . 2]" 1
2070 1 98 GLN HE21 1 102 GLU HG3 . . 5.050 3.764 2.719 4.800 . 0 0 "[ . 1 . 2]" 1
2071 1 98 GLN HE22 1 101 LYS QD . . 4.370 3.054 2.533 4.464 0.094 1 0 "[ . 1 . 2]" 1
2072 1 98 GLN HE22 1 101 LYS QE . . 4.810 4.210 2.794 4.868 0.058 14 0 "[ . 1 . 2]" 1
2073 1 98 GLN HE22 1 102 GLU HG3 . . 5.500 5.270 4.149 6.407 0.907 12 2 "[ . - + . 2]" 1
2074 1 98 GLN HG3 1 99 TYR HA . . 4.970 4.484 3.674 5.047 0.077 5 0 "[ . 1 . 2]" 1
2075 1 98 GLN HG3 1 101 LYS QB . . 3.970 3.931 3.629 4.058 0.088 11 0 "[ . 1 . 2]" 1
2076 1 99 TYR H 1 99 TYR HB2 . . 3.770 2.555 2.395 2.817 . 0 0 "[ . 1 . 2]" 1
2077 1 99 TYR H 1 99 TYR HB3 . . 3.420 2.297 2.161 2.374 . 0 0 "[ . 1 . 2]" 1
2078 1 99 TYR H 1 99 TYR QD . . 3.960 4.054 4.009 4.072 0.112 7 0 "[ . 1 . 2]" 1
2079 1 99 TYR H 1 100 GLN H . . 3.980 2.830 2.687 2.996 . 0 0 "[ . 1 . 2]" 1
2080 1 99 TYR HA 1 99 TYR QD . . 3.310 2.739 2.090 3.203 . 0 0 "[ . 1 . 2]" 1
2081 1 99 TYR HA 1 102 GLU H . . 4.700 3.644 3.174 4.313 . 0 0 "[ . 1 . 2]" 1
2082 1 99 TYR HB2 1 100 GLN H . . 4.170 3.959 3.720 4.145 . 0 0 "[ . 1 . 2]" 1
2083 1 99 TYR HB3 1 100 GLN H . . 4.820 2.595 2.258 2.884 . 0 0 "[ . 1 . 2]" 1
2084 1 99 TYR QD 1 100 GLN H . . 3.970 3.047 2.606 3.823 . 0 0 "[ . 1 . 2]" 1
2085 1 99 TYR QD 1 100 GLN HA . . 4.180 3.272 2.938 4.253 0.073 17 0 "[ . 1 . 2]" 1
2086 1 99 TYR QD 1 100 GLN HE21 . . 5.010 4.085 3.259 4.656 . 0 0 "[ . 1 . 2]" 1
2087 1 99 TYR QD 1 100 GLN HG2 . . 4.040 3.381 2.722 4.127 0.087 17 0 "[ . 1 . 2]" 1
2088 1 99 TYR QD 1 100 GLN HG3 . . 4.790 2.536 2.137 3.887 . 0 0 "[ . 1 . 2]" 1
2089 1 99 TYR QE 1 100 GLN H . . 5.320 5.108 4.614 5.394 0.074 15 0 "[ . 1 . 2]" 1
2090 1 99 TYR QE 1 100 GLN HA . . 5.390 4.084 3.362 4.933 . 0 0 "[ . 1 . 2]" 1
2091 1 99 TYR QE 1 103 SER HA . . 5.010 4.956 4.465 5.110 0.100 7 0 "[ . 1 . 2]" 1
2092 1 99 TYR QE 1 103 SER HB2 . . 5.310 4.411 3.825 5.008 . 0 0 "[ . 1 . 2]" 1
2093 1 99 TYR QE 1 103 SER HB3 . . 4.800 4.342 3.659 4.884 0.084 10 0 "[ . 1 . 2]" 1
2094 1 100 GLN H 1 100 GLN HB2 . . 3.190 2.455 2.390 2.557 . 0 0 "[ . 1 . 2]" 1
2095 1 100 GLN H 1 100 GLN HB3 . . 4.090 3.593 3.567 3.630 . 0 0 "[ . 1 . 2]" 1
2096 1 100 GLN H 1 100 GLN HE22 . . 5.500 5.170 4.885 5.520 0.020 1 0 "[ . 1 . 2]" 1
2097 1 100 GLN H 1 100 GLN HG2 . . 3.990 3.596 3.028 3.859 . 0 0 "[ . 1 . 2]" 1
2098 1 100 GLN H 1 100 GLN HG3 . . 3.670 2.280 1.953 2.494 . 0 0 "[ . 1 . 2]" 1
2099 1 100 GLN H 1 101 LYS H . . 3.880 2.704 2.417 2.991 . 0 0 "[ . 1 . 2]" 1
2100 1 100 GLN HA 1 100 GLN HG2 . . 3.720 2.640 2.371 2.935 . 0 0 "[ . 1 . 2]" 1
2101 1 100 GLN HA 1 100 GLN HG3 . . 3.980 2.883 2.684 3.167 . 0 0 "[ . 1 . 2]" 1
2102 1 100 GLN HA 1 103 SER H . . 4.680 3.624 3.146 3.916 . 0 0 "[ . 1 . 2]" 1
2103 1 100 GLN HA 1 103 SER HB2 . . 3.790 2.698 2.174 4.129 0.339 11 0 "[ . 1 . 2]" 1
2104 1 100 GLN HA 1 103 SER HB3 . . 4.050 3.844 2.612 4.135 0.085 13 0 "[ . 1 . 2]" 1
2105 1 100 GLN HA 1 104 GLN H . . 4.940 4.442 3.810 5.005 0.065 10 0 "[ . 1 . 2]" 1
2106 1 100 GLN HB2 1 101 LYS H . . 3.940 2.778 2.410 3.124 . 0 0 "[ . 1 . 2]" 1
2107 1 100 GLN HB3 1 101 LYS H . . 4.050 3.721 3.450 4.035 . 0 0 "[ . 1 . 2]" 1
2108 1 100 GLN HB3 1 101 LYS HG3 . . 5.050 4.672 3.939 5.106 0.056 20 0 "[ . 1 . 2]" 1
2109 1 100 GLN HG2 1 101 LYS H . . 5.170 5.130 4.888 5.252 0.082 11 0 "[ . 1 . 2]" 1
2110 1 100 GLN HG3 1 101 LYS H . . 5.160 4.466 4.142 4.659 . 0 0 "[ . 1 . 2]" 1
2111 1 101 LYS H 1 101 LYS QB . . 3.090 2.439 2.181 2.588 . 0 0 "[ . 1 . 2]" 1
2112 1 101 LYS H 1 101 LYS QD . . 4.530 3.778 3.314 4.196 . 0 0 "[ . 1 . 2]" 1
2113 1 101 LYS H 1 101 LYS QE . . 5.110 4.850 4.436 5.173 0.063 4 0 "[ . 1 . 2]" 1
2114 1 101 LYS H 1 101 LYS HG2 . . 4.020 3.533 3.184 3.762 . 0 0 "[ . 1 . 2]" 1
2115 1 101 LYS H 1 101 LYS HG3 . . 3.900 2.380 2.144 2.556 . 0 0 "[ . 1 . 2]" 1
2116 1 101 LYS H 1 102 GLU H . . 3.730 2.829 2.531 3.071 . 0 0 "[ . 1 . 2]" 1
2117 1 101 LYS H 1 103 SER H . . 4.270 3.974 3.712 4.140 . 0 0 "[ . 1 . 2]" 1
2118 1 101 LYS HA 1 101 LYS QD . . 4.110 4.058 3.824 4.201 0.091 9 0 "[ . 1 . 2]" 1
2119 1 101 LYS HA 1 101 LYS QE . . 4.920 4.676 4.103 4.990 0.070 10 0 "[ . 1 . 2]" 1
2120 1 101 LYS HA 1 101 LYS HG2 . . 3.720 2.520 2.244 2.708 . 0 0 "[ . 1 . 2]" 1
2121 1 101 LYS HA 1 101 LYS HG3 . . 4.000 3.037 2.762 3.482 . 0 0 "[ . 1 . 2]" 1
2122 1 101 LYS HA 1 104 GLN H . . 4.200 3.814 3.379 4.180 . 0 0 "[ . 1 . 2]" 1
2123 1 101 LYS HA 1 104 GLN QB . . 3.700 3.607 2.473 3.798 0.098 4 0 "[ . 1 . 2]" 1
2124 1 101 LYS HA 1 104 GLN HE21 . . 5.500 2.975 2.034 5.730 0.230 19 0 "[ . 1 . 2]" 1
2125 1 101 LYS QB 1 101 LYS QD . . 3.130 2.170 2.094 2.353 . 0 0 "[ . 1 . 2]" 1
2126 1 101 LYS QB 1 101 LYS QE . . 3.980 3.359 2.016 3.741 . 0 0 "[ . 1 . 2]" 1
2127 1 101 LYS QB 1 102 GLU H . . 3.920 2.372 2.087 3.288 . 0 0 "[ . 1 . 2]" 1
2128 1 101 LYS QE 1 101 LYS HG2 . . 3.710 2.535 2.093 3.034 . 0 0 "[ . 1 . 2]" 1
2129 1 102 GLU H 1 102 GLU HB2 . . 3.770 2.561 2.323 2.941 . 0 0 "[ . 1 . 2]" 1
2130 1 102 GLU H 1 102 GLU HB3 . . 3.760 3.613 3.517 3.726 . 0 0 "[ . 1 . 2]" 1
2131 1 102 GLU H 1 102 GLU HG2 . . 4.200 2.700 2.001 4.166 . 0 0 "[ . 1 . 2]" 1
2132 1 102 GLU H 1 102 GLU HG3 . . 3.930 3.632 2.821 3.971 0.041 8 0 "[ . 1 . 2]" 1
2133 1 102 GLU H 1 104 GLN H . . 5.130 4.455 3.759 4.901 . 0 0 "[ . 1 . 2]" 1
2134 1 102 GLU H 1 105 ALA MB . . 5.500 4.820 4.504 5.321 . 0 0 "[ . 1 . 2]" 1
2135 1 102 GLU HA 1 105 ALA MB . . 3.530 2.403 2.145 2.861 . 0 0 "[ . 1 . 2]" 1
2136 1 102 GLU HB2 1 103 SER H . . 4.470 3.065 2.705 3.332 . 0 0 "[ . 1 . 2]" 1
2137 1 102 GLU HB3 1 103 SER H . . 4.190 3.942 3.633 4.266 0.076 17 0 "[ . 1 . 2]" 1
2138 1 102 GLU HB3 1 105 ALA MB . . 3.580 3.608 3.299 3.687 0.107 16 0 "[ . 1 . 2]" 1
2139 1 103 SER H 1 103 SER HB2 . . 3.590 2.427 2.135 3.576 . 0 0 "[ . 1 . 2]" 1
2140 1 103 SER H 1 103 SER HB3 . . 3.610 3.411 2.091 3.657 0.047 17 0 "[ . 1 . 2]" 1
2141 1 103 SER H 1 104 GLN H . . 3.460 2.773 2.503 2.980 . 0 0 "[ . 1 . 2]" 1
2142 1 103 SER H 1 104 GLN QB . . 4.830 4.638 4.384 4.915 0.085 18 0 "[ . 1 . 2]" 1
2143 1 103 SER HA 1 104 GLN H . . 3.600 3.620 3.557 3.676 0.076 5 0 "[ . 1 . 2]" 1
2144 1 103 SER HA 1 106 TYR H . . 4.170 3.488 3.172 4.051 . 0 0 "[ . 1 . 2]" 1
2145 1 103 SER HA 1 106 TYR HB2 . . 4.250 4.023 3.630 4.310 0.060 14 0 "[ . 1 . 2]" 1
2146 1 103 SER HA 1 106 TYR HB3 . . 3.940 2.431 2.054 2.729 . 0 0 "[ . 1 . 2]" 1
2147 1 103 SER HA 1 106 TYR QD . . 4.130 2.390 1.945 2.967 . 0 0 "[ . 1 . 2]" 1
2148 1 103 SER HA 1 107 TYR QD . . 3.950 3.479 3.035 4.020 0.070 9 0 "[ . 1 . 2]" 1
2149 1 103 SER HA 1 107 TYR QE . . 4.980 4.440 4.027 4.807 . 0 0 "[ . 1 . 2]" 1
2150 1 103 SER HB2 1 104 GLN H . . 3.970 2.872 2.369 4.111 0.141 2 0 "[ . 1 . 2]" 1
2151 1 103 SER HB2 1 104 GLN HA . . 5.120 4.728 4.420 5.182 0.062 5 0 "[ . 1 . 2]" 1
2152 1 103 SER HB2 1 104 GLN QB . . 5.150 4.477 3.831 5.810 0.660 11 1 "[ . 1+ . 2]" 1
2153 1 103 SER HB2 1 107 TYR QD . . 4.590 4.131 3.051 5.153 0.563 18 1 "[ . 1 . + 2]" 1
2154 1 103 SER HB2 1 107 TYR QE . . 4.880 3.442 2.842 4.059 . 0 0 "[ . 1 . 2]" 1
2155 1 103 SER HB3 1 104 GLN H . . 4.130 3.520 3.265 3.844 . 0 0 "[ . 1 . 2]" 1
2156 1 103 SER HB3 1 104 GLN HA . . 4.960 4.523 4.126 5.215 0.255 2 0 "[ . 1 . 2]" 1
2157 1 103 SER HB3 1 107 TYR QE . . 4.980 2.663 2.080 4.481 . 0 0 "[ . 1 . 2]" 1
2158 1 104 GLN H 1 104 GLN QB . . 2.830 2.244 2.001 2.593 . 0 0 "[ . 1 . 2]" 1
2159 1 104 GLN H 1 104 GLN HE21 . . 3.620 3.334 2.919 3.708 0.088 10 0 "[ . 1 . 2]" 1
2160 1 104 GLN H 1 104 GLN HG2 . . 3.840 3.296 2.352 3.932 0.092 5 0 "[ . 1 . 2]" 1
2161 1 104 GLN H 1 104 GLN HG3 . . 3.740 3.247 2.191 3.931 0.191 2 0 "[ . 1 . 2]" 1
2162 1 104 GLN HA 1 104 GLN QB . . 2.780 2.262 2.063 2.447 . 0 0 "[ . 1 . 2]" 1
2163 1 104 GLN HA 1 104 GLN HG2 . . 3.480 3.250 2.542 3.720 0.240 15 0 "[ . 1 . 2]" 1
2164 1 104 GLN HA 1 104 GLN HG3 . . 3.640 3.111 2.267 3.705 0.065 18 0 "[ . 1 . 2]" 1
2165 1 104 GLN HA 1 106 TYR H . . 4.470 3.625 3.438 4.090 . 0 0 "[ . 1 . 2]" 1
2166 1 104 GLN HA 1 107 TYR H . . 4.360 3.799 3.186 4.188 . 0 0 "[ . 1 . 2]" 1
2167 1 104 GLN HA 1 107 TYR QD . . 3.990 3.722 3.269 4.068 0.078 4 0 "[ . 1 . 2]" 1
2168 1 104 GLN HA 1 107 TYR QE . . 5.500 3.125 2.581 3.665 . 0 0 "[ . 1 . 2]" 1
2169 1 104 GLN HA 1 108 ASP H . . 4.820 3.674 3.154 4.428 . 0 0 "[ . 1 . 2]" 1
2170 1 104 GLN HA 1 108 ASP QB . . 4.820 2.964 2.164 4.788 . 0 0 "[ . 1 . 2]" 1
2171 1 104 GLN QB 1 105 ALA HA . . 4.920 4.634 3.858 5.024 0.104 20 0 "[ . 1 . 2]" 1
2172 1 104 GLN QB 1 105 ALA MB . . 4.550 4.282 3.677 4.673 0.123 7 0 "[ . 1 . 2]" 1
2173 1 104 GLN QB 1 106 TYR H . . 4.920 4.822 4.381 5.020 0.100 4 0 "[ . 1 . 2]" 1
2174 1 104 GLN QB 1 107 TYR QD . . 5.160 5.057 4.600 5.282 0.122 18 0 "[ . 1 . 2]" 1
2175 1 104 GLN QB 1 107 TYR QE . . 5.440 3.955 3.187 4.630 . 0 0 "[ . 1 . 2]" 1
2176 1 104 GLN HG2 1 108 ASP QB . . 5.220 4.762 3.588 5.284 0.064 18 0 "[ . 1 . 2]" 1
2177 1 104 GLN HG3 1 108 ASP QB . . 5.030 4.672 3.559 5.295 0.265 1 0 "[ . 1 . 2]" 1
2178 1 105 ALA H 1 105 ALA MB . . 2.830 2.405 2.201 2.542 . 0 0 "[ . 1 . 2]" 1
2179 1 105 ALA H 1 106 TYR H . . 3.220 2.196 1.959 2.733 . 0 0 "[ . 1 . 2]" 1
2180 1 105 ALA H 1 106 TYR HA . . 5.100 4.742 4.490 5.180 0.080 8 0 "[ . 1 . 2]" 1
2181 1 105 ALA H 1 106 TYR HB2 . . 5.120 4.806 4.326 5.201 0.081 5 0 "[ . 1 . 2]" 1
2182 1 105 ALA H 1 106 TYR HB3 . . 5.230 3.597 3.319 4.156 . 0 0 "[ . 1 . 2]" 1
2183 1 105 ALA H 1 106 TYR QD . . 5.500 4.801 4.470 5.381 . 0 0 "[ . 1 . 2]" 1
2184 1 105 ALA H 1 107 TYR H . . 4.810 4.012 3.757 4.532 . 0 0 "[ . 1 . 2]" 1
2185 1 105 ALA HA 1 106 TYR H . . 3.540 3.256 3.004 3.555 0.015 9 0 "[ . 1 . 2]" 1
2186 1 105 ALA HA 1 107 TYR H . . 5.120 4.980 4.552 5.193 0.073 13 0 "[ . 1 . 2]" 1
2187 1 105 ALA HA 1 108 ASP H . . 4.310 4.125 3.452 4.393 0.083 12 0 "[ . 1 . 2]" 1
2188 1 105 ALA HA 1 108 ASP QB . . 3.500 3.153 2.113 3.590 0.090 18 0 "[ . 1 . 2]" 1
2189 1 105 ALA MB 1 106 TYR H . . 3.590 3.427 2.872 3.659 0.069 10 0 "[ . 1 . 2]" 1
2190 1 105 ALA MB 1 106 TYR HA . . 4.810 4.299 3.913 4.507 . 0 0 "[ . 1 . 2]" 1
2191 1 105 ALA MB 1 106 TYR HB2 . . 5.230 4.574 4.290 5.016 . 0 0 "[ . 1 . 2]" 1
2192 1 105 ALA MB 1 106 TYR QD . . 5.500 5.534 5.391 5.603 0.103 18 0 "[ . 1 . 2]" 1
2193 1 105 ALA MB 1 107 TYR H . . 5.500 5.203 4.777 5.411 . 0 0 "[ . 1 . 2]" 1
2194 1 105 ALA MB 1 108 ASP H . . 5.500 5.176 4.599 5.392 . 0 0 "[ . 1 . 2]" 1
2195 1 105 ALA MB 1 108 ASP QB . . 4.610 4.427 3.651 4.713 0.103 12 0 "[ . 1 . 2]" 1
2196 1 106 TYR H 1 106 TYR HB2 . . 3.560 3.447 3.011 3.642 0.082 19 0 "[ . 1 . 2]" 1
2197 1 106 TYR H 1 106 TYR HB3 . . 3.160 2.353 1.981 2.586 . 0 0 "[ . 1 . 2]" 1
2198 1 106 TYR H 1 106 TYR QD . . 3.490 3.512 3.344 3.583 0.093 4 0 "[ . 1 . 2]" 1
2199 1 106 TYR H 1 106 TYR QE . . 5.500 5.570 5.373 5.605 0.105 15 0 "[ . 1 . 2]" 1
2200 1 106 TYR H 1 107 TYR H . . 3.400 2.175 1.912 2.557 . 0 0 "[ . 1 . 2]" 1
2201 1 106 TYR H 1 108 ASP H . . 4.880 2.929 2.539 3.653 . 0 0 "[ . 1 . 2]" 1
2202 1 106 TYR HA 1 106 TYR HB2 . . 2.980 2.235 2.197 2.274 . 0 0 "[ . 1 . 2]" 1
2203 1 106 TYR HA 1 106 TYR QD . . 3.410 3.176 2.977 3.436 0.026 9 0 "[ . 1 . 2]" 1
2204 1 106 TYR HB3 1 107 TYR H . . 3.280 2.939 2.657 3.184 . 0 0 "[ . 1 . 2]" 1
2205 1 106 TYR HB3 1 107 TYR QD . . 4.320 4.319 3.619 4.409 0.089 4 0 "[ . 1 . 2]" 1
2206 1 106 TYR QD 1 107 TYR H . . 3.640 2.553 2.304 3.019 . 0 0 "[ . 1 . 2]" 1
2207 1 106 TYR QD 1 107 TYR HB3 . . 4.090 2.851 2.383 3.183 . 0 0 "[ . 1 . 2]" 1
2208 1 106 TYR QD 1 107 TYR QD . . 4.020 2.555 2.115 3.117 . 0 0 "[ . 1 . 2]" 1
2209 1 106 TYR QD 1 108 ASP H . . 5.350 4.681 4.463 5.071 . 0 0 "[ . 1 . 2]" 1
2210 1 106 TYR QE 1 107 TYR H . . 5.150 4.178 3.872 4.635 . 0 0 "[ . 1 . 2]" 1
2211 1 106 TYR QE 1 107 TYR HB2 . . 4.010 4.063 3.854 4.109 0.099 17 0 "[ . 1 . 2]" 1
2212 1 106 TYR QE 1 107 TYR HB3 . . 4.270 2.617 2.382 2.870 . 0 0 "[ . 1 . 2]" 1
2213 1 106 TYR QE 1 107 TYR QD . . 3.440 3.258 2.469 3.539 0.099 11 0 "[ . 1 . 2]" 1
2214 1 107 TYR H 1 107 TYR HB2 . . 3.690 3.679 3.583 3.765 0.075 18 0 "[ . 1 . 2]" 1
2215 1 107 TYR H 1 107 TYR HB3 . . 3.500 2.708 2.541 2.893 . 0 0 "[ . 1 . 2]" 1
2216 1 107 TYR H 1 107 TYR QD . . 3.480 2.771 2.164 3.309 . 0 0 "[ . 1 . 2]" 1
2217 1 107 TYR H 1 107 TYR QE . . 4.930 4.442 4.117 4.732 . 0 0 "[ . 1 . 2]" 1
2218 1 107 TYR H 1 108 ASP H . . 3.200 2.290 2.008 2.509 . 0 0 "[ . 1 . 2]" 1
2219 1 107 TYR H 1 109 GLY H . . 4.430 4.440 4.106 4.520 0.090 10 0 "[ . 1 . 2]" 1
2220 1 107 TYR HA 1 108 ASP H . . 3.240 3.306 3.207 3.324 0.084 9 0 "[ . 1 . 2]" 1
2221 1 107 TYR HA 1 109 GLY H . . 4.380 3.463 2.907 3.719 . 0 0 "[ . 1 . 2]" 1
2222 1 107 TYR HA 1 110 ARG QG . . 4.780 4.243 3.272 4.796 0.016 1 0 "[ . 1 . 2]" 1
2223 1 107 TYR HB2 1 108 ASP H . . 4.210 4.271 4.174 4.387 0.177 5 0 "[ . 1 . 2]" 1
2224 1 107 TYR HB2 1 109 GLY H . . 5.060 5.038 4.661 5.140 0.080 1 0 "[ . 1 . 2]" 1
2225 1 107 TYR HB3 1 108 ASP H . . 4.320 4.204 4.053 4.356 0.036 2 0 "[ . 1 . 2]" 1
2226 1 107 TYR QD 1 108 ASP H . . 4.060 3.666 3.240 4.051 . 0 0 "[ . 1 . 2]" 1
2227 1 107 TYR QD 1 108 ASP HA . . 4.490 3.175 2.347 3.915 . 0 0 "[ . 1 . 2]" 1
2228 1 107 TYR QD 1 110 ARG HB3 . . 5.040 4.959 4.427 5.133 0.093 16 0 "[ . 1 . 2]" 1
2229 1 107 TYR QD 1 110 ARG QG . . 5.200 2.577 2.268 3.063 . 0 0 "[ . 1 . 2]" 1
2230 1 107 TYR QD 1 111 ARG QD . . 3.920 3.207 2.177 3.831 . 0 0 "[ . 1 . 2]" 1
2231 1 107 TYR QD 1 111 ARG HG2 . . 5.380 4.376 2.187 5.486 0.106 17 0 "[ . 1 . 2]" 1
2232 1 107 TYR QE 1 110 ARG QD . . 4.220 4.222 3.530 4.336 0.116 1 0 "[ . 1 . 2]" 1
2233 1 107 TYR QE 1 110 ARG QG . . 5.480 4.020 3.470 4.493 . 0 0 "[ . 1 . 2]" 1
2234 1 108 ASP H 1 108 ASP QB . . 2.950 2.241 1.994 2.577 . 0 0 "[ . 1 . 2]" 1
2235 1 108 ASP H 1 109 GLY H . . 3.340 2.734 2.598 2.905 . 0 0 "[ . 1 . 2]" 1
2236 1 108 ASP H 1 109 GLY QA . . 5.400 4.612 4.460 4.770 . 0 0 "[ . 1 . 2]" 1
2237 1 108 ASP HA 1 108 ASP QB . . 2.750 2.276 2.089 2.507 . 0 0 "[ . 1 . 2]" 1
2238 1 108 ASP HA 1 110 ARG H . . 4.890 3.273 3.027 3.655 . 0 0 "[ . 1 . 2]" 1
2239 1 108 ASP HA 1 111 ARG H . . 5.110 3.101 2.362 4.037 . 0 0 "[ . 1 . 2]" 1
2240 1 108 ASP HA 1 111 ARG QD . . 5.080 3.624 2.067 4.374 . 0 0 "[ . 1 . 2]" 1
2241 1 108 ASP QB 1 109 GLY H . . 3.700 3.410 2.884 3.778 0.078 7 0 "[ . 1 . 2]" 1
2242 1 108 ASP QB 1 109 GLY QA . . 4.890 4.288 3.871 4.612 . 0 0 "[ . 1 . 2]" 1
2243 1 108 ASP QB 1 110 ARG H . . 4.590 4.626 4.441 4.698 0.108 6 0 "[ . 1 . 2]" 1
2244 1 108 ASP QB 1 110 ARG QG . . 5.050 5.034 4.648 5.186 0.136 9 0 "[ . 1 . 2]" 1
2245 1 108 ASP QB 1 111 ARG HB2 . . 4.890 3.852 3.115 4.959 0.069 17 0 "[ . 1 . 2]" 1
2246 1 109 GLY H 1 110 ARG HB3 . . 5.470 5.254 4.876 5.549 0.079 2 0 "[ . 1 . 2]" 1
2247 1 109 GLY H 1 111 ARG H . . 5.330 4.213 4.027 4.620 . 0 0 "[ . 1 . 2]" 1
2248 1 109 GLY QA 1 110 ARG H . . 3.360 2.965 2.794 3.061 . 0 0 "[ . 1 . 2]" 1
2249 1 109 GLY QA 1 110 ARG HA . . 4.000 4.068 4.013 4.088 0.088 15 0 "[ . 1 . 2]" 1
2250 1 109 GLY QA 1 111 ARG H . . 5.500 3.650 3.194 4.174 . 0 0 "[ . 1 . 2]" 1
2251 1 110 ARG H 1 110 ARG HB2 . . 3.560 3.644 3.631 3.655 0.095 19 0 "[ . 1 . 2]" 1
2252 1 110 ARG H 1 110 ARG HB3 . . 3.090 2.838 2.565 3.144 0.054 2 0 "[ . 1 . 2]" 1
2253 1 110 ARG H 1 110 ARG QD . . 4.810 3.589 2.932 4.267 . 0 0 "[ . 1 . 2]" 1
2254 1 110 ARG H 1 110 ARG QG . . 3.440 2.237 2.078 2.452 . 0 0 "[ . 1 . 2]" 1
2255 1 110 ARG H 1 111 ARG H . . 3.480 2.436 2.129 2.906 . 0 0 "[ . 1 . 2]" 1
2256 1 110 ARG H 1 111 ARG QD . . 5.350 3.812 2.881 4.491 . 0 0 "[ . 1 . 2]" 1
2257 1 110 ARG HA 1 110 ARG QD . . 4.320 4.264 4.131 4.405 0.085 13 0 "[ . 1 . 2]" 1
2258 1 110 ARG HA 1 110 ARG QG . . 3.340 3.398 3.358 3.433 0.093 5 0 "[ . 1 . 2]" 1
2259 1 110 ARG HB2 1 110 ARG QD . . 3.910 2.692 2.116 3.395 . 0 0 "[ . 1 . 2]" 1
2260 1 110 ARG HB2 1 111 ARG H . . 4.400 4.359 4.202 4.479 0.079 16 0 "[ . 1 . 2]" 1
2261 1 110 ARG HB2 1 111 ARG QD . . 3.640 3.412 2.711 3.598 . 0 0 "[ . 1 . 2]" 1
2262 1 110 ARG HB3 1 110 ARG QG . . 2.550 2.388 2.113 2.574 0.024 11 0 "[ . 1 . 2]" 1
2263 1 110 ARG HE 1 111 ARG QD . . 4.100 3.629 3.150 4.066 . 0 0 "[ . 1 . 2]" 1
2264 1 110 ARG QG 1 111 ARG QD . . 3.000 1.999 1.775 2.250 . 0 0 "[ . 1 . 2]" 1
2265 1 111 ARG H 1 111 ARG HB2 . . 3.220 2.413 2.176 2.642 . 0 0 "[ . 1 . 2]" 1
2266 1 111 ARG H 1 111 ARG HB3 . . 3.600 3.514 3.220 3.687 0.087 2 0 "[ . 1 . 2]" 1
2267 1 111 ARG H 1 111 ARG QD . . 5.350 3.111 2.224 3.671 . 0 0 "[ . 1 . 2]" 1
2268 1 111 ARG H 1 111 ARG HG2 . . 4.330 3.905 2.335 4.430 0.100 20 0 "[ . 1 . 2]" 1
2269 1 111 ARG H 1 111 ARG HG3 . . 4.200 4.140 3.725 4.290 0.090 5 0 "[ . 1 . 2]" 1
2270 1 111 ARG H 1 112 SER HA . . 5.090 4.870 4.430 5.179 0.089 7 0 "[ . 1 . 2]" 1
2271 1 111 ARG H 1 113 SER H . . 4.170 3.768 2.721 4.259 0.089 7 0 "[ . 1 . 2]" 1
2272 1 111 ARG HA 1 111 ARG QD . . 3.780 2.714 2.276 3.468 . 0 0 "[ . 1 . 2]" 1
2273 1 111 ARG HA 1 111 ARG HG2 . . 4.110 3.530 3.266 3.725 . 0 0 "[ . 1 . 2]" 1
2274 1 111 ARG HA 1 111 ARG HG3 . . 3.630 2.756 2.038 3.919 0.289 19 0 "[ . 1 . 2]" 1
2275 1 111 ARG HA 1 112 SER H . . 2.920 2.790 2.343 3.013 0.093 19 0 "[ . 1 . 2]" 1
2276 1 111 ARG HA 1 113 SER H . . 5.390 4.298 2.538 5.200 . 0 0 "[ . 1 . 2]" 1
2277 1 111 ARG HB2 1 111 ARG HG2 . . 2.650 2.446 2.342 2.646 . 0 0 "[ . 1 . 2]" 1
2278 1 111 ARG HB2 1 112 SER H . . 4.340 3.591 2.756 4.411 0.071 11 0 "[ . 1 . 2]" 1
2279 1 111 ARG HB3 1 111 ARG HG3 . . 2.960 2.435 2.323 2.673 . 0 0 "[ . 1 . 2]" 1
2280 1 111 ARG HB3 1 112 SER H . . 4.110 3.073 1.759 4.203 0.093 6 0 "[ . 1 . 2]" 1
2281 1 111 ARG QD 1 112 SER H . . 5.500 4.580 4.281 4.914 . 0 0 "[ . 1 . 2]" 1
2282 1 111 ARG HG3 1 112 SER H . . 4.750 4.378 3.174 5.569 0.819 19 3 "[ .- *1 . +2]" 1
2283 1 112 SER H 1 112 SER HB2 . . 3.740 3.066 2.490 3.671 . 0 0 "[ . 1 . 2]" 1
2284 1 112 SER H 1 112 SER HB3 . . 3.780 3.528 2.577 3.864 0.084 19 0 "[ . 1 . 2]" 1
2285 1 112 SER H 1 113 SER H . . 3.990 2.563 1.698 3.679 . 0 0 "[ . 1 . 2]" 1
2286 1 112 SER H 1 113 SER HA . . 4.710 4.446 3.872 4.793 0.083 7 0 "[ . 1 . 2]" 1
2287 1 112 SER HA 1 113 SER H . . 3.340 3.080 2.276 3.431 0.091 13 0 "[ . 1 . 2]" 1
2288 1 112 SER HA 1 113 SER QB . . 4.050 4.118 3.897 4.167 0.117 3 0 "[ . 1 . 2]" 1
2289 1 112 SER HB3 1 113 SER H . . 4.600 3.835 2.329 4.653 0.053 2 0 "[ . 1 . 2]" 1
2290 1 113 SER H 1 113 SER QB . . 3.880 2.978 2.076 3.474 . 0 0 "[ . 1 . 2]" 1
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