NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580180 |
2mqc   |
25027 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mqc
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 1258
_Distance_constraint_stats_list.Viol_count 2883
_Distance_constraint_stats_list.Viol_total 4781.495
_Distance_constraint_stats_list.Viol_max 0.943
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0829
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLY 0.230 0.092 8 0 "[ . 1 . 2]"
1 5 SER 0.616 0.092 8 0 "[ . 1 . 2]"
1 6 PRO 0.991 0.190 9 0 "[ . 1 . 2]"
1 7 VAL 1.926 0.261 16 0 "[ . 1 . 2]"
1 8 SER 2.902 0.282 16 0 "[ . 1 . 2]"
1 9 TYR 8.803 0.109 12 0 "[ . 1 . 2]"
1 10 TYR 11.971 0.766 10 4 "[ * + - * 2]"
1 11 PHE 4.430 0.916 20 1 "[ . 1 . +]"
1 12 SER 3.208 0.836 19 3 "[ *. - . +2]"
1 13 TYR 5.555 0.395 6 0 "[ . 1 . 2]"
1 14 ALA 2.730 0.096 1 0 "[ . 1 . 2]"
1 15 ASP 3.047 0.257 16 0 "[ . 1 . 2]"
1 16 GLY 1.599 0.096 1 0 "[ . 1 . 2]"
1 17 GLY 2.428 0.082 20 0 "[ . 1 . 2]"
1 18 THR 2.080 0.199 10 0 "[ . 1 . 2]"
1 19 SER 8.387 0.562 12 2 "[ . 1 + . -]"
1 20 HIS 4.351 0.562 12 2 "[ . 1 + . -]"
1 21 THR 5.885 0.138 6 0 "[ . 1 . 2]"
1 22 GLU 4.018 0.726 2 2 "[-+ . 1 . 2]"
1 23 TYR 6.908 0.122 18 0 "[ . 1 . 2]"
1 24 PRO 0.559 0.133 7 0 "[ . 1 . 2]"
1 25 ASP 3.699 0.583 12 2 "[ - 1 + . 2]"
1 26 ASP 1.099 0.089 7 0 "[ . 1 . 2]"
1 27 SER 0.987 0.101 5 0 "[ . 1 . 2]"
1 28 SER 3.935 0.843 3 1 "[ + . 1 . 2]"
1 29 ALA 3.271 0.896 12 1 "[ . 1 + . 2]"
1 30 GLY 3.697 0.104 10 0 "[ . 1 . 2]"
1 31 SER 1.446 0.087 16 0 "[ . 1 . 2]"
1 32 PHE 5.399 0.126 13 0 "[ . 1 . 2]"
1 33 ILE 2.181 0.085 11 0 "[ . 1 . 2]"
1 34 LEU 6.227 0.820 6 1 "[ .+ 1 . 2]"
1 35 ASP 0.349 0.089 16 0 "[ . 1 . 2]"
1 36 ILE 12.483 0.934 16 6 "[-* ** *1 .+ 2]"
1 37 THR 3.857 0.120 2 0 "[ . 1 . 2]"
1 38 SER 9.997 0.934 16 8 "[** * ** - *+ 2]"
1 39 TYR 11.038 0.228 2 0 "[ . 1 . 2]"
1 40 LYS 12.104 0.228 2 0 "[ . 1 . 2]"
1 41 LYS 7.933 0.282 16 0 "[ . 1 . 2]"
1 42 THR 6.439 0.108 20 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 7.638 0.574 20 1 "[ . 1 . +]"
1 45 SER 3.609 0.391 17 0 "[ . 1 . 2]"
1 46 THR 4.870 0.102 6 0 "[ . 1 . 2]"
1 47 LYS 2.092 0.094 2 0 "[ . 1 . 2]"
1 48 ALA 0.539 0.090 9 0 "[ . 1 . 2]"
1 49 LEU 4.943 0.804 13 1 "[ . 1 + . 2]"
1 50 SER 3.393 0.494 18 0 "[ . 1 . 2]"
1 51 TRP 4.335 0.494 18 0 "[ . 1 . 2]"
1 52 ASN 0.452 0.081 10 0 "[ . 1 . 2]"
1 53 ALA 1.986 0.127 6 0 "[ . 1 . 2]"
1 54 SER 10.501 0.943 5 9 "[ * + *1 * -** **]"
1 55 GLY 8.230 0.943 5 9 "[ * + *1 * -** **]"
1 56 ASP 0.783 0.079 2 0 "[ . 1 . 2]"
1 57 SER 0.242 0.091 2 0 "[ . 1 . 2]"
1 58 TRP 5.848 0.091 2 0 "[ . 1 . 2]"
1 59 ILE 3.538 0.371 14 0 "[ . 1 . 2]"
1 60 HIS 2.901 0.101 15 0 "[ . 1 . 2]"
1 61 VAL 1.442 0.099 3 0 "[ . 1 . 2]"
1 62 ASN 4.431 0.204 7 0 "[ . 1 . 2]"
1 63 GLY 0.274 0.062 9 0 "[ . 1 . 2]"
1 64 SER 0.011 0.011 17 0 "[ . 1 . 2]"
1 65 SER 0.354 0.085 11 0 "[ . 1 . 2]"
1 66 VAL 0.857 0.081 6 0 "[ . 1 . 2]"
1 67 SER 1.129 0.104 10 0 "[ . 1 . 2]"
1 68 TYR 1.681 0.097 5 0 "[ . 1 . 2]"
1 69 ASP 3.160 0.084 17 0 "[ . 1 . 2]"
1 70 GLU 4.122 0.896 12 1 "[ . 1 + . 2]"
1 71 ASN 11.048 0.529 5 3 "[ -+ 1 . * 2]"
1 72 PRO 6.201 0.412 9 0 "[ . 1 . 2]"
1 73 ALA 2.315 0.134 4 0 "[ . 1 . 2]"
1 74 LYS 3.838 0.283 15 0 "[ . 1 . 2]"
1 75 GLU 3.579 0.098 9 0 "[ . 1 . 2]"
1 76 ARG 5.722 0.415 20 0 "[ . 1 . 2]"
1 77 ARG 4.931 0.529 5 3 "[ -+ 1 . * 2]"
1 78 THR 3.119 0.120 10 0 "[ . 1 . 2]"
1 79 GLY 3.607 0.454 4 0 "[ . 1 . 2]"
1 80 LEU 4.023 0.261 15 0 "[ . 1 . 2]"
1 81 VAL 3.009 0.091 15 0 "[ . 1 . 2]"
1 82 THR 2.230 0.107 15 0 "[ . 1 . 2]"
1 83 LEU 8.891 0.641 9 2 "[ . +1 . - 2]"
1 84 LYS 5.455 0.127 20 0 "[ . 1 . 2]"
1 85 GLN 8.604 0.916 20 2 "[ . 1 - . +]"
1 86 ASP 2.632 0.114 4 0 "[ . 1 . 2]"
1 87 GLU 2.410 0.114 4 0 "[ . 1 . 2]"
1 88 SER 3.204 0.107 15 0 "[ . 1 . 2]"
1 89 GLY 6.974 0.185 1 0 "[ . 1 . 2]"
1 90 LYS 4.170 0.858 1 1 "[+ . 1 . 2]"
1 91 THR 6.151 0.858 1 1 "[+ . 1 . 2]"
1 92 LEU 9.471 0.836 19 5 "[ *. *- . *+2]"
1 93 SER 3.735 0.715 2 3 "[ + * 1 -. 2]"
1 94 LEU 4.195 0.715 2 3 "[ + * 1 -. 2]"
1 95 LYS 3.859 0.261 15 0 "[ . 1 . 2]"
1 96 ILE 9.014 0.726 2 2 "[-+ . 1 . 2]"
1 97 VAL 6.846 0.138 6 0 "[ . 1 . 2]"
1 98 GLN 3.485 0.182 14 0 "[ . 1 . 2]"
1 99 PRO 5.333 0.583 12 2 "[ - 1 + . 2]"
1 100 GLY 3.954 0.896 12 1 "[ . 1 + . 2]"
1 101 LYS 5.358 0.896 12 1 "[ . 1 + . 2]"
1 102 THR 5.083 0.163 4 0 "[ . 1 . 2]"
1 103 SER 6.936 0.486 4 0 "[ . 1 . 2]"
1 104 ILE 4.135 0.331 1 0 "[ . 1 . 2]"
1 105 ASP 0.883 0.080 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 4 GLY H 1 5 SER H . . 4.970 3.111 1.742 4.348 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLY H 1 5 SER QB . . 5.130 4.457 3.442 5.222 0.092 8 0 "[ . 1 . 2]" 1
3 1 4 GLY QA 1 5 SER H . . 3.390 2.521 2.177 3.019 . 0 0 "[ . 1 . 2]" 1
4 1 5 SER H 1 5 SER QB . . 3.730 3.033 2.324 3.378 . 0 0 "[ . 1 . 2]" 1
5 1 5 SER HA 1 6 PRO HD2 . . 3.030 2.477 2.276 2.663 . 0 0 "[ . 1 . 2]" 1
6 1 5 SER HA 1 6 PRO HD3 . . 3.020 2.547 2.298 2.780 . 0 0 "[ . 1 . 2]" 1
7 1 5 SER HA 1 6 PRO QG . . 4.220 4.160 4.044 4.268 0.048 20 0 "[ . 1 . 2]" 1
8 1 5 SER QB 1 6 PRO HD2 . . 2.400 2.238 2.027 2.469 0.069 18 0 "[ . 1 . 2]" 1
9 1 6 PRO HA 1 7 VAL H . . 2.630 2.413 2.101 2.658 0.028 10 0 "[ . 1 . 2]" 1
10 1 6 PRO HB2 1 7 VAL H . . 3.970 2.750 2.142 3.724 . 0 0 "[ . 1 . 2]" 1
11 1 6 PRO HB3 1 7 VAL H . . 3.860 3.605 3.333 4.050 0.190 9 0 "[ . 1 . 2]" 1
12 1 6 PRO QG 1 7 VAL H . . 4.650 4.175 3.694 4.675 0.025 9 0 "[ . 1 . 2]" 1
13 1 6 PRO QG 1 7 VAL QG . . 5.120 4.793 4.416 4.999 . 0 0 "[ . 1 . 2]" 1
14 1 7 VAL H 1 7 VAL HB . . 3.000 2.630 2.230 2.803 . 0 0 "[ . 1 . 2]" 1
15 1 7 VAL H 1 7 VAL QG . . 3.340 2.201 1.815 2.907 . 0 0 "[ . 1 . 2]" 1
16 1 7 VAL H 1 8 SER H . . 4.860 4.457 4.021 4.649 . 0 0 "[ . 1 . 2]" 1
17 1 7 VAL HA 1 7 VAL QG . . 3.190 2.236 2.069 2.437 . 0 0 "[ . 1 . 2]" 1
18 1 7 VAL HA 1 8 SER H . . 2.680 2.208 2.084 2.390 . 0 0 "[ . 1 . 2]" 1
19 1 7 VAL HA 1 41 LYS H . . 4.650 4.619 4.403 4.728 0.078 16 0 "[ . 1 . 2]" 1
20 1 7 VAL HA 1 42 THR MG . . 5.080 3.653 3.156 4.351 . 0 0 "[ . 1 . 2]" 1
21 1 7 VAL HB 1 8 SER H . . 4.560 4.108 3.573 4.510 . 0 0 "[ . 1 . 2]" 1
22 1 7 VAL HB 1 9 TYR QE . . 4.360 4.000 2.891 4.447 0.087 1 0 "[ . 1 . 2]" 1
23 1 7 VAL QG 1 8 SER H . . 3.470 2.583 2.013 3.330 . 0 0 "[ . 1 . 2]" 1
24 1 7 VAL QG 1 8 SER HB2 . . 4.760 4.470 4.080 5.021 0.261 16 0 "[ . 1 . 2]" 1
25 1 7 VAL QG 1 9 TYR QD . . 3.440 2.174 1.942 2.571 . 0 0 "[ . 1 . 2]" 1
26 1 7 VAL QG 1 9 TYR QE . . 2.880 2.037 1.857 2.186 . 0 0 "[ . 1 . 2]" 1
27 1 7 VAL QG 1 40 LYS HA . . 4.490 3.761 3.218 4.331 . 0 0 "[ . 1 . 2]" 1
28 1 7 VAL QG 1 40 LYS HB3 . . 3.830 3.596 3.267 3.867 0.037 8 0 "[ . 1 . 2]" 1
29 1 7 VAL QG 1 40 LYS QD . . 4.530 2.292 1.925 3.119 . 0 0 "[ . 1 . 2]" 1
30 1 7 VAL QG 1 40 LYS QE . . 4.290 2.951 1.966 3.759 . 0 0 "[ . 1 . 2]" 1
31 1 7 VAL QG 1 41 LYS H . . 4.350 3.212 2.532 4.006 . 0 0 "[ . 1 . 2]" 1
32 1 7 VAL QG 1 42 THR HB . . 4.910 2.214 1.931 4.307 . 0 0 "[ . 1 . 2]" 1
33 1 7 VAL QG 1 42 THR MG . . 4.060 2.214 1.936 2.649 . 0 0 "[ . 1 . 2]" 1
34 1 8 SER H 1 8 SER HB2 . . 3.570 2.551 2.203 3.069 . 0 0 "[ . 1 . 2]" 1
35 1 8 SER H 1 9 TYR QE . . 5.500 5.418 4.854 5.598 0.098 5 0 "[ . 1 . 2]" 1
36 1 8 SER H 1 40 LYS HA . . 5.430 4.719 4.130 5.424 . 0 0 "[ . 1 . 2]" 1
37 1 8 SER H 1 41 LYS H . . 3.720 3.055 2.750 3.736 0.016 16 0 "[ . 1 . 2]" 1
38 1 8 SER H 1 41 LYS QB . . 5.090 3.348 3.022 4.143 . 0 0 "[ . 1 . 2]" 1
39 1 8 SER HA 1 9 TYR H . . 2.620 2.232 2.172 2.297 . 0 0 "[ . 1 . 2]" 1
40 1 8 SER HA 1 9 TYR QD . . 4.410 3.980 3.505 4.399 . 0 0 "[ . 1 . 2]" 1
41 1 8 SER HB2 1 10 TYR QR . . 4.230 3.125 2.449 4.314 0.084 3 0 "[ . 1 . 2]" 1
42 1 8 SER HB2 1 41 LYS H . . 4.620 3.796 3.167 4.888 0.268 4 0 "[ . 1 . 2]" 1
43 1 8 SER HB2 1 41 LYS QB . . 3.720 2.736 2.101 3.962 0.242 16 0 "[ . 1 . 2]" 1
44 1 8 SER HB2 1 41 LYS QD . . 4.920 3.964 3.225 5.202 0.282 16 0 "[ . 1 . 2]" 1
45 1 8 SER HB3 1 10 TYR QR . . 4.290 2.865 2.089 3.856 . 0 0 "[ . 1 . 2]" 1
46 1 8 SER HB3 1 41 LYS H . . 4.830 4.097 2.740 4.873 0.043 8 0 "[ . 1 . 2]" 1
47 1 9 TYR H 1 9 TYR HB2 . . 3.490 2.367 2.221 2.497 . 0 0 "[ . 1 . 2]" 1
48 1 9 TYR H 1 9 TYR HB3 . . 3.990 3.550 3.453 3.647 . 0 0 "[ . 1 . 2]" 1
49 1 9 TYR H 1 9 TYR QD . . 3.120 2.944 2.532 3.213 0.093 18 0 "[ . 1 . 2]" 1
50 1 9 TYR H 1 9 TYR QE . . 5.500 5.247 4.871 5.523 0.023 4 0 "[ . 1 . 2]" 1
51 1 9 TYR HA 1 9 TYR QD . . 2.930 2.883 2.748 2.979 0.049 16 0 "[ . 1 . 2]" 1
52 1 9 TYR HA 1 10 TYR H . . 3.040 2.229 2.071 2.351 . 0 0 "[ . 1 . 2]" 1
53 1 9 TYR HA 1 41 LYS H . . 4.210 3.502 3.264 3.729 . 0 0 "[ . 1 . 2]" 1
54 1 9 TYR HB2 1 10 TYR H . . 5.380 4.084 3.707 4.540 . 0 0 "[ . 1 . 2]" 1
55 1 9 TYR HB3 1 10 TYR H . . 4.090 2.847 2.354 3.745 . 0 0 "[ . 1 . 2]" 1
56 1 9 TYR HB3 1 10 TYR QR . . 5.250 4.922 4.604 5.317 0.067 20 0 "[ . 1 . 2]" 1
57 1 9 TYR QD 1 10 TYR H . . 4.260 3.872 3.396 4.343 0.083 4 0 "[ . 1 . 2]" 1
58 1 9 TYR QD 1 40 LYS HA . . 3.570 3.646 3.570 3.679 0.109 12 0 "[ . 1 . 2]" 1
59 1 9 TYR QD 1 40 LYS HB2 . . 2.870 2.911 2.651 2.967 0.097 4 0 "[ . 1 . 2]" 1
60 1 9 TYR QD 1 40 LYS HB3 . . 3.260 3.163 2.921 3.328 0.068 15 0 "[ . 1 . 2]" 1
61 1 9 TYR QD 1 49 LEU QD . . 3.400 3.043 2.623 3.355 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR QD 1 49 LEU HG . . 5.130 4.637 3.656 5.227 0.097 2 0 "[ . 1 . 2]" 1
63 1 9 TYR QD 1 87 GLU HB2 . . 5.090 4.370 3.822 4.826 . 0 0 "[ . 1 . 2]" 1
64 1 9 TYR QD 1 88 SER H . . 4.920 4.521 3.840 4.980 0.060 19 0 "[ . 1 . 2]" 1
65 1 9 TYR QD 1 88 SER HA . . 5.300 4.134 2.495 5.054 . 0 0 "[ . 1 . 2]" 1
66 1 9 TYR QD 1 88 SER QB . . 3.780 2.664 1.947 3.592 . 0 0 "[ . 1 . 2]" 1
67 1 9 TYR QE 1 40 LYS HB2 . . 2.860 2.808 2.619 2.958 0.098 11 0 "[ . 1 . 2]" 1
68 1 9 TYR QE 1 40 LYS QD . . 4.670 3.321 2.568 3.990 . 0 0 "[ . 1 . 2]" 1
69 1 9 TYR QE 1 40 LYS QE . . 5.220 3.411 1.979 5.090 . 0 0 "[ . 1 . 2]" 1
70 1 9 TYR QE 1 49 LEU QD . . 2.570 2.343 2.031 2.627 0.057 15 0 "[ . 1 . 2]" 1
71 1 9 TYR QE 1 87 GLU HB2 . . 2.850 2.257 2.036 2.679 . 0 0 "[ . 1 . 2]" 1
72 1 9 TYR QE 1 87 GLU HB3 . . 4.030 2.978 2.250 3.639 . 0 0 "[ . 1 . 2]" 1
73 1 9 TYR QE 1 87 GLU QG . . 4.420 3.972 3.425 4.493 0.073 13 0 "[ . 1 . 2]" 1
74 1 9 TYR QE 1 88 SER H . . 3.860 3.828 3.427 3.951 0.091 16 0 "[ . 1 . 2]" 1
75 1 9 TYR QE 1 88 SER HA . . 4.410 4.238 3.141 4.517 0.107 15 0 "[ . 1 . 2]" 1
76 1 9 TYR QE 1 88 SER QB . . 5.060 3.549 2.224 4.530 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR H 1 10 TYR HB2 . . 4.100 2.569 2.433 2.682 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR H 1 10 TYR HB3 . . 3.670 3.693 3.613 3.763 0.093 10 0 "[ . 1 . 2]" 1
79 1 10 TYR H 1 10 TYR QD . . 2.920 2.823 2.168 3.002 0.082 3 0 "[ . 1 . 2]" 1
80 1 10 TYR H 1 10 TYR QR . . 3.610 2.807 2.162 2.980 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR H 1 37 THR MG . . 5.500 4.712 4.200 5.267 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR H 1 38 SER HA . . 5.500 4.731 4.122 5.412 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR H 1 40 LYS HA . . 3.880 3.354 2.975 3.834 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR H 1 49 LEU QD . . 5.500 4.467 3.576 5.394 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR HA 1 10 TYR QD . . 3.190 3.033 2.735 3.238 0.048 1 0 "[ . 1 . 2]" 1
86 1 10 TYR HA 1 10 TYR QR . . 3.940 2.997 2.715 3.189 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR HA 1 10 TYR QE . . 4.720 4.696 4.467 4.821 0.101 14 0 "[ . 1 . 2]" 1
88 1 10 TYR HA 1 11 PHE H . . 2.790 2.202 2.109 2.294 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR HA 1 11 PHE HA . . 4.490 4.465 4.358 4.542 0.052 3 0 "[ . 1 . 2]" 1
90 1 10 TYR HB2 1 11 PHE H . . 4.410 4.355 3.981 4.529 0.119 13 0 "[ . 1 . 2]" 1
91 1 10 TYR HB2 1 37 THR MG . . 3.980 2.574 2.240 3.039 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR HB2 1 39 TYR H . . 4.510 2.538 2.071 3.001 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR HB2 1 39 TYR QE . . 5.190 3.844 3.320 4.235 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR HB3 1 38 SER HA . . 4.920 4.825 3.866 5.686 0.766 10 4 "[ * + - * 2]" 1
95 1 10 TYR HB3 1 39 TYR H . . 4.320 3.882 3.452 4.307 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR QR 1 11 PHE H . . 5.270 4.405 3.729 4.745 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QR 1 12 SER H . . 5.500 5.313 4.731 5.602 0.102 10 0 "[ . 1 . 2]" 1
98 1 10 TYR QR 1 37 THR HB . . 4.690 4.175 3.718 4.782 0.092 11 0 "[ . 1 . 2]" 1
99 1 10 TYR QR 1 37 THR MG . . 4.060 2.788 2.107 3.235 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR QR 1 40 LYS HA . . 4.380 3.037 2.588 3.426 . 0 0 "[ . 1 . 2]" 1
101 1 10 TYR QR 1 41 LYS H . . 4.610 3.068 2.919 3.172 . 0 0 "[ . 1 . 2]" 1
102 1 10 TYR QR 1 41 LYS QB . . 3.890 2.073 1.926 2.333 . 0 0 "[ . 1 . 2]" 1
103 1 10 TYR QR 1 41 LYS QD . . 4.730 2.793 2.589 2.854 . 0 0 "[ . 1 . 2]" 1
104 1 10 TYR QR 1 41 LYS QE . . 5.500 4.520 3.773 4.769 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR QD 1 37 THR MG . . 3.180 2.825 2.121 3.286 0.106 11 0 "[ . 1 . 2]" 1
106 1 10 TYR QD 1 39 TYR QE . . 3.140 3.138 2.734 3.250 0.110 7 0 "[ . 1 . 2]" 1
107 1 10 TYR QD 1 40 LYS HA . . 3.480 3.102 2.636 3.519 0.039 20 0 "[ . 1 . 2]" 1
108 1 10 TYR QD 1 41 LYS H . . 3.710 3.553 3.219 3.799 0.089 11 0 "[ . 1 . 2]" 1
109 1 10 TYR QE 1 39 TYR QE . . 3.120 2.948 2.594 3.236 0.116 14 0 "[ . 1 . 2]" 1
110 1 10 TYR QE 1 41 LYS H . . 3.300 3.367 3.205 3.406 0.106 14 0 "[ . 1 . 2]" 1
111 1 10 TYR QE 1 41 LYS QB . . 2.890 2.093 1.937 2.354 . 0 0 "[ . 1 . 2]" 1
112 1 10 TYR QE 1 41 LYS QD . . 2.760 2.818 2.617 2.871 0.111 18 0 "[ . 1 . 2]" 1
113 1 11 PHE H 1 11 PHE HB3 . . 4.000 3.391 2.724 3.676 . 0 0 "[ . 1 . 2]" 1
114 1 11 PHE HA 1 12 SER H . . 2.910 2.543 2.182 2.974 0.064 18 0 "[ . 1 . 2]" 1
115 1 11 PHE HA 1 36 ILE MG . . 4.800 4.572 3.846 4.906 0.106 17 0 "[ . 1 . 2]" 1
116 1 11 PHE HA 1 85 GLN HE21 . . 4.380 4.052 3.070 4.457 0.077 16 0 "[ . 1 . 2]" 1
117 1 11 PHE HB2 1 12 SER H . . 5.080 4.537 4.354 4.778 . 0 0 "[ . 1 . 2]" 1
118 1 11 PHE HB2 1 85 GLN HE21 . . 4.780 4.185 2.681 5.696 0.916 20 1 "[ . 1 . +]" 1
119 1 11 PHE HB2 1 85 GLN HE22 . . 4.730 3.426 2.211 4.555 . 0 0 "[ . 1 . 2]" 1
120 1 11 PHE HB2 1 89 GLY H . . 4.330 4.266 3.826 4.447 0.117 8 0 "[ . 1 . 2]" 1
121 1 11 PHE HB2 1 90 LYS HB2 . . 4.360 3.213 2.081 4.407 0.047 4 0 "[ . 1 . 2]" 1
122 1 11 PHE HB3 1 85 GLN HE22 . . 5.400 2.974 1.927 4.288 . 0 0 "[ . 1 . 2]" 1
123 1 11 PHE HB3 1 89 GLY H . . 4.360 4.241 3.645 4.428 0.068 18 0 "[ . 1 . 2]" 1
124 1 12 SER H 1 13 TYR H . . 4.690 4.338 4.233 4.452 . 0 0 "[ . 1 . 2]" 1
125 1 12 SER H 1 36 ILE MG . . 4.610 4.067 3.385 4.688 0.078 7 0 "[ . 1 . 2]" 1
126 1 12 SER H 1 37 THR H . . 3.650 3.433 3.042 3.717 0.067 20 0 "[ . 1 . 2]" 1
127 1 12 SER H 1 37 THR HB . . 3.670 2.628 2.026 3.181 . 0 0 "[ . 1 . 2]" 1
128 1 12 SER H 1 37 THR MG . . 5.080 4.103 3.597 4.560 . 0 0 "[ . 1 . 2]" 1
129 1 12 SER H 1 92 LEU QD . . 5.450 4.391 3.569 4.991 . 0 0 "[ . 1 . 2]" 1
130 1 12 SER HA 1 13 TYR H . . 3.080 2.683 2.410 3.002 . 0 0 "[ . 1 . 2]" 1
131 1 12 SER HA 1 18 THR MG . . 4.130 2.979 2.064 4.112 . 0 0 "[ . 1 . 2]" 1
132 1 12 SER HA 1 92 LEU QD . . 3.100 2.688 2.128 3.096 . 0 0 "[ . 1 . 2]" 1
133 1 12 SER HB2 1 18 THR MG . . 4.280 2.945 2.031 4.479 0.199 10 0 "[ . 1 . 2]" 1
134 1 12 SER HB2 1 92 LEU QD . . 4.380 4.414 4.098 5.216 0.836 19 3 "[ *. - . +2]" 1
135 1 12 SER HB3 1 13 TYR H . . 4.330 3.385 2.152 3.776 . 0 0 "[ . 1 . 2]" 1
136 1 12 SER HB3 1 18 THR MG . . 4.390 2.589 2.129 3.713 . 0 0 "[ . 1 . 2]" 1
137 1 13 TYR H 1 13 TYR HB2 . . 3.470 2.287 2.015 2.440 . 0 0 "[ . 1 . 2]" 1
138 1 13 TYR H 1 13 TYR HB3 . . 3.820 3.519 3.225 3.626 . 0 0 "[ . 1 . 2]" 1
139 1 13 TYR H 1 13 TYR QD . . 3.340 2.616 2.059 3.284 . 0 0 "[ . 1 . 2]" 1
140 1 13 TYR H 1 18 THR H . . 5.350 4.998 4.742 5.440 0.090 9 0 "[ . 1 . 2]" 1
141 1 13 TYR H 1 18 THR MG . . 5.500 3.556 2.055 4.425 . 0 0 "[ . 1 . 2]" 1
142 1 13 TYR H 1 92 LEU QD . . 4.620 3.643 3.075 4.173 . 0 0 "[ . 1 . 2]" 1
143 1 13 TYR HA 1 13 TYR QD . . 3.380 2.992 2.726 3.213 . 0 0 "[ . 1 . 2]" 1
144 1 13 TYR HA 1 14 ALA H . . 3.470 2.552 2.296 3.507 0.037 13 0 "[ . 1 . 2]" 1
145 1 13 TYR HA 1 14 ALA MB . . 4.710 4.089 3.760 4.284 . 0 0 "[ . 1 . 2]" 1
146 1 13 TYR HA 1 36 ILE HA . . 3.480 2.208 2.016 2.457 . 0 0 "[ . 1 . 2]" 1
147 1 13 TYR HA 1 36 ILE HG12 . . 5.450 3.568 2.234 4.885 . 0 0 "[ . 1 . 2]" 1
148 1 13 TYR HA 1 37 THR H . . 4.500 2.933 2.510 3.110 . 0 0 "[ . 1 . 2]" 1
149 1 13 TYR HB2 1 14 ALA H . . 4.370 3.562 2.083 4.018 . 0 0 "[ . 1 . 2]" 1
150 1 13 TYR HB2 1 14 ALA HA . . 5.140 5.062 4.763 5.227 0.087 10 0 "[ . 1 . 2]" 1
151 1 13 TYR HB2 1 15 ASP H . . 4.800 3.681 2.989 4.550 . 0 0 "[ . 1 . 2]" 1
152 1 13 TYR HB2 1 17 GLY H . . 4.490 2.499 1.642 3.687 . 0 0 "[ . 1 . 2]" 1
153 1 13 TYR HB2 1 17 GLY HA2 . . 5.180 4.390 3.773 5.234 0.054 19 0 "[ . 1 . 2]" 1
154 1 13 TYR HB3 1 14 ALA H . . 3.620 2.390 1.841 2.785 . 0 0 "[ . 1 . 2]" 1
155 1 13 TYR HB3 1 14 ALA MB . . 5.500 4.142 3.553 4.408 . 0 0 "[ . 1 . 2]" 1
156 1 13 TYR HB3 1 15 ASP H . . 4.010 2.607 1.956 4.059 0.049 13 0 "[ . 1 . 2]" 1
157 1 13 TYR HB3 1 16 GLY H . . 5.500 3.534 1.971 5.589 0.089 1 0 "[ . 1 . 2]" 1
158 1 13 TYR HB3 1 36 ILE HA . . 4.870 4.220 3.417 4.599 . 0 0 "[ . 1 . 2]" 1
159 1 13 TYR HB3 1 37 THR H . . 5.500 5.378 4.948 5.580 0.080 12 0 "[ . 1 . 2]" 1
160 1 13 TYR QD 1 14 ALA H . . 4.910 3.437 2.333 4.124 . 0 0 "[ . 1 . 2]" 1
161 1 13 TYR QD 1 18 THR H . . 5.500 4.060 3.619 4.927 . 0 0 "[ . 1 . 2]" 1
162 1 13 TYR QD 1 18 THR MG . . 5.500 4.197 3.803 5.004 . 0 0 "[ . 1 . 2]" 1
163 1 13 TYR QD 1 19 SER H . . 3.990 3.055 2.659 3.722 . 0 0 "[ . 1 . 2]" 1
164 1 13 TYR QD 1 36 ILE HA . . 4.730 3.625 3.068 4.350 . 0 0 "[ . 1 . 2]" 1
165 1 13 TYR QD 1 36 ILE HG12 . . 4.550 3.386 2.451 4.945 0.395 6 0 "[ . 1 . 2]" 1
166 1 13 TYR QD 1 36 ILE MG . . 4.520 4.280 3.431 4.636 0.116 18 0 "[ . 1 . 2]" 1
167 1 13 TYR QD 1 92 LEU QD . . 3.710 2.888 2.329 3.430 . 0 0 "[ . 1 . 2]" 1
168 1 13 TYR QE 1 19 SER H . . 4.590 3.306 2.814 3.685 . 0 0 "[ . 1 . 2]" 1
169 1 13 TYR QE 1 19 SER HA . . 2.750 2.672 2.332 2.855 0.105 16 0 "[ . 1 . 2]" 1
170 1 13 TYR QE 1 19 SER HB2 . . 5.140 4.999 4.563 5.314 0.174 19 0 "[ . 1 . 2]" 1
171 1 13 TYR QE 1 20 HIS H . . 3.870 3.637 2.793 3.964 0.094 15 0 "[ . 1 . 2]" 1
172 1 13 TYR QE 1 20 HIS HA . . 4.720 4.387 4.006 4.805 0.085 5 0 "[ . 1 . 2]" 1
173 1 13 TYR QE 1 20 HIS QB . . 3.820 3.236 2.486 3.809 . 0 0 "[ . 1 . 2]" 1
174 1 13 TYR QE 1 34 LEU HB3 . . 4.820 2.642 2.125 3.673 . 0 0 "[ . 1 . 2]" 1
175 1 13 TYR QE 1 34 LEU MD1 . . 4.020 2.390 2.078 3.676 . 0 0 "[ . 1 . 2]" 1
176 1 13 TYR QE 1 34 LEU MD2 . . 3.370 3.168 2.490 3.480 0.110 13 0 "[ . 1 . 2]" 1
177 1 13 TYR QE 1 36 ILE MD . . 3.050 2.780 2.244 3.157 0.107 17 0 "[ . 1 . 2]" 1
178 1 13 TYR QE 1 92 LEU HB3 . . 4.300 3.393 2.103 4.375 0.075 18 0 "[ . 1 . 2]" 1
179 1 13 TYR QE 1 92 LEU QD . . 3.300 2.381 1.891 2.840 . 0 0 "[ . 1 . 2]" 1
180 1 14 ALA H 1 14 ALA MB . . 3.030 2.358 2.219 2.657 . 0 0 "[ . 1 . 2]" 1
181 1 14 ALA H 1 15 ASP H . . 3.740 2.264 1.894 2.795 . 0 0 "[ . 1 . 2]" 1
182 1 14 ALA H 1 16 GLY H . . 4.520 4.161 2.538 4.599 0.079 20 0 "[ . 1 . 2]" 1
183 1 14 ALA H 1 17 GLY H . . 5.320 5.095 3.578 5.399 0.079 5 0 "[ . 1 . 2]" 1
184 1 14 ALA H 1 35 ASP HB2 . . 5.500 4.180 3.274 5.472 . 0 0 "[ . 1 . 2]" 1
185 1 14 ALA H 1 36 ILE HA . . 4.000 3.523 2.287 4.096 0.096 1 0 "[ . 1 . 2]" 1
186 1 14 ALA HA 1 16 GLY H . . 4.530 4.264 3.073 4.614 0.084 16 0 "[ . 1 . 2]" 1
187 1 14 ALA MB 1 15 ASP H . . 3.700 2.888 2.143 3.739 0.039 19 0 "[ . 1 . 2]" 1
188 1 14 ALA MB 1 16 GLY H . . 5.500 4.635 3.814 5.157 . 0 0 "[ . 1 . 2]" 1
189 1 14 ALA MB 1 35 ASP HB2 . . 3.860 3.323 2.674 3.949 0.089 16 0 "[ . 1 . 2]" 1
190 1 14 ALA MB 1 35 ASP HB3 . . 3.320 2.667 2.138 3.409 0.089 16 0 "[ . 1 . 2]" 1
191 1 15 ASP H 1 15 ASP HB2 . . 4.110 3.188 2.298 3.918 . 0 0 "[ . 1 . 2]" 1
192 1 15 ASP H 1 15 ASP HB3 . . 3.460 2.939 2.357 3.717 0.257 16 0 "[ . 1 . 2]" 1
193 1 15 ASP H 1 16 GLY H . . 3.260 2.645 1.833 3.257 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASP H 1 16 GLY HA2 . . 5.080 4.859 4.178 5.176 0.096 1 0 "[ . 1 . 2]" 1
195 1 15 ASP H 1 17 GLY H . . 4.370 4.266 3.438 4.452 0.082 20 0 "[ . 1 . 2]" 1
196 1 15 ASP HA 1 15 ASP HB2 . . 2.960 2.543 2.319 2.991 0.031 10 0 "[ . 1 . 2]" 1
197 1 15 ASP HA 1 15 ASP HB3 . . 2.910 2.774 2.374 3.029 0.119 1 0 "[ . 1 . 2]" 1
198 1 15 ASP HA 1 16 GLY H . . 3.360 2.921 2.327 3.372 0.012 5 0 "[ . 1 . 2]" 1
199 1 15 ASP HB2 1 16 GLY H . . 5.500 4.455 4.010 4.655 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLY H 1 17 GLY H . . 3.530 2.600 1.786 3.579 0.049 8 0 "[ . 1 . 2]" 1
201 1 17 GLY HA2 1 18 THR H . . 3.290 3.004 2.268 3.363 0.073 7 0 "[ . 1 . 2]" 1
202 1 17 GLY HA2 1 18 THR MG . . 5.110 3.542 3.116 3.970 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLY HA2 1 19 SER H . . 4.930 4.761 3.996 5.011 0.081 11 0 "[ . 1 . 2]" 1
204 1 17 GLY HA3 1 18 THR H . . 3.540 2.305 2.123 2.693 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLY HA3 1 18 THR MG . . 5.440 4.151 3.561 4.604 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLY HA3 1 19 SER H . . 4.240 3.648 2.992 3.945 . 0 0 "[ . 1 . 2]" 1
207 1 18 THR H 1 18 THR MG . . 3.530 3.213 2.440 3.599 0.069 11 0 "[ . 1 . 2]" 1
208 1 18 THR H 1 19 SER H . . 2.880 2.332 2.031 2.945 0.065 13 0 "[ . 1 . 2]" 1
209 1 18 THR H 1 19 SER HB2 . . 4.930 4.266 3.648 5.095 0.165 1 0 "[ . 1 . 2]" 1
210 1 18 THR HA 1 18 THR MG . . 3.300 2.257 2.094 2.500 . 0 0 "[ . 1 . 2]" 1
211 1 18 THR HA 1 92 LEU QD . . 3.300 2.575 2.019 3.299 . 0 0 "[ . 1 . 2]" 1
212 1 18 THR MG 1 19 SER H . . 4.440 4.487 4.405 4.532 0.092 2 0 "[ . 1 . 2]" 1
213 1 18 THR MG 1 92 LEU QD . . 3.540 3.103 2.102 3.576 0.036 5 0 "[ . 1 . 2]" 1
214 1 19 SER H 1 19 SER HB2 . . 3.400 3.240 2.687 3.703 0.303 1 0 "[ . 1 . 2]" 1
215 1 19 SER H 1 19 SER HB3 . . 3.810 3.236 2.817 3.878 0.068 17 0 "[ . 1 . 2]" 1
216 1 19 SER H 1 20 HIS H . . 4.960 4.294 4.168 4.370 . 0 0 "[ . 1 . 2]" 1
217 1 19 SER H 1 20 HIS HA . . 4.700 4.694 4.528 4.762 0.062 11 0 "[ . 1 . 2]" 1
218 1 19 SER H 1 92 LEU QD . . 5.500 3.954 3.512 4.632 . 0 0 "[ . 1 . 2]" 1
219 1 19 SER HA 1 20 HIS H . . 2.870 2.386 2.133 2.703 . 0 0 "[ . 1 . 2]" 1
220 1 19 SER HA 1 20 HIS QB . . 5.070 4.372 3.988 4.774 . 0 0 "[ . 1 . 2]" 1
221 1 19 SER HA 1 92 LEU HA . . 3.850 3.772 3.414 3.939 0.089 1 0 "[ . 1 . 2]" 1
222 1 19 SER HA 1 92 LEU QD . . 5.500 3.260 2.336 4.208 . 0 0 "[ . 1 . 2]" 1
223 1 19 SER HA 1 93 SER H . . 3.590 2.836 2.111 3.658 0.068 16 0 "[ . 1 . 2]" 1
224 1 19 SER HB2 1 20 HIS H . . 3.820 3.906 3.347 4.382 0.562 12 2 "[ . 1 + . -]" 1
225 1 19 SER HB3 1 20 HIS H . . 4.320 3.332 2.239 3.901 . 0 0 "[ . 1 . 2]" 1
226 1 20 HIS H 1 21 THR H . . 4.910 4.365 4.002 4.551 . 0 0 "[ . 1 . 2]" 1
227 1 20 HIS H 1 93 SER H . . 5.500 3.829 3.056 4.888 . 0 0 "[ . 1 . 2]" 1
228 1 20 HIS H 1 93 SER QB . . 4.440 4.181 3.133 4.409 . 0 0 "[ . 1 . 2]" 1
229 1 20 HIS H 1 94 LEU HA . . 4.020 3.230 2.730 3.819 . 0 0 "[ . 1 . 2]" 1
230 1 20 HIS H 1 94 LEU QD . . 4.580 4.261 3.436 4.559 . 0 0 "[ . 1 . 2]" 1
231 1 20 HIS H 1 95 LYS H . . 4.630 4.163 3.449 4.669 0.039 19 0 "[ . 1 . 2]" 1
232 1 20 HIS HA 1 21 THR H . . 2.820 2.261 2.113 2.450 . 0 0 "[ . 1 . 2]" 1
233 1 20 HIS HA 1 21 THR HB . . 5.220 4.790 4.513 5.096 . 0 0 "[ . 1 . 2]" 1
234 1 20 HIS QB 1 21 THR H . . 4.570 3.212 2.709 3.856 . 0 0 "[ . 1 . 2]" 1
235 1 20 HIS QB 1 94 LEU HA . . 3.850 3.314 2.460 3.792 . 0 0 "[ . 1 . 2]" 1
236 1 20 HIS QB 1 94 LEU QD . . 4.270 2.725 2.166 3.248 . 0 0 "[ . 1 . 2]" 1
237 1 21 THR H 1 21 THR HB . . 3.400 2.985 2.772 3.252 . 0 0 "[ . 1 . 2]" 1
238 1 21 THR H 1 22 GLU H . . 5.230 3.943 3.384 4.366 . 0 0 "[ . 1 . 2]" 1
239 1 21 THR H 1 22 GLU HA . . 4.790 4.435 4.158 4.691 . 0 0 "[ . 1 . 2]" 1
240 1 21 THR HA 1 21 THR MG . . 3.180 2.367 2.247 2.478 . 0 0 "[ . 1 . 2]" 1
241 1 21 THR HA 1 22 GLU H . . 2.900 2.307 2.171 2.592 . 0 0 "[ . 1 . 2]" 1
242 1 21 THR HA 1 94 LEU QD . . 4.330 3.730 3.289 4.370 0.040 6 0 "[ . 1 . 2]" 1
243 1 21 THR HA 1 95 LYS H . . 3.580 2.763 2.304 3.445 . 0 0 "[ . 1 . 2]" 1
244 1 21 THR HA 1 95 LYS QB . . 3.530 2.841 2.085 3.441 . 0 0 "[ . 1 . 2]" 1
245 1 21 THR HB 1 22 GLU H . . 4.850 4.210 3.637 4.554 . 0 0 "[ . 1 . 2]" 1
246 1 21 THR HB 1 23 TYR QE . . 3.000 3.011 2.564 3.090 0.090 10 0 "[ . 1 . 2]" 1
247 1 21 THR MG 1 22 GLU H . . 3.460 2.946 2.161 3.545 0.085 14 0 "[ . 1 . 2]" 1
248 1 21 THR MG 1 22 GLU HA . . 4.980 3.966 3.499 4.400 . 0 0 "[ . 1 . 2]" 1
249 1 21 THR MG 1 23 TYR HA . . 4.690 4.677 4.217 4.789 0.099 14 0 "[ . 1 . 2]" 1
250 1 21 THR MG 1 23 TYR QD . . 3.380 3.374 3.032 3.486 0.106 5 0 "[ . 1 . 2]" 1
251 1 21 THR MG 1 23 TYR QE . . 2.760 2.480 2.292 2.786 0.026 8 0 "[ . 1 . 2]" 1
252 1 21 THR MG 1 95 LYS H . . 5.350 3.796 3.510 4.310 . 0 0 "[ . 1 . 2]" 1
253 1 21 THR MG 1 95 LYS HA . . 5.500 4.337 4.124 4.694 . 0 0 "[ . 1 . 2]" 1
254 1 21 THR MG 1 95 LYS QB . . 3.480 2.071 1.919 2.382 . 0 0 "[ . 1 . 2]" 1
255 1 21 THR MG 1 95 LYS QE . . 4.590 3.725 1.939 4.683 0.093 4 0 "[ . 1 . 2]" 1
256 1 21 THR MG 1 95 LYS HG2 . . 4.310 3.842 2.214 4.417 0.107 2 0 "[ . 1 . 2]" 1
257 1 21 THR MG 1 95 LYS HG3 . . 5.380 4.230 3.728 4.564 . 0 0 "[ . 1 . 2]" 1
258 1 21 THR MG 1 96 ILE HA . . 5.110 4.034 3.226 4.562 . 0 0 "[ . 1 . 2]" 1
259 1 21 THR MG 1 97 VAL H . . 3.880 3.797 3.162 3.980 0.100 18 0 "[ . 1 . 2]" 1
260 1 21 THR MG 1 97 VAL HB . . 4.280 3.988 3.352 4.348 0.068 4 0 "[ . 1 . 2]" 1
261 1 21 THR MG 1 97 VAL MG2 . . 3.060 2.786 2.149 3.198 0.138 6 0 "[ . 1 . 2]" 1
262 1 22 GLU H 1 22 GLU QG . . 4.280 3.909 2.182 4.377 0.097 9 0 "[ . 1 . 2]" 1
263 1 22 GLU H 1 94 LEU QD . . 4.400 3.961 3.295 4.452 0.052 8 0 "[ . 1 . 2]" 1
264 1 22 GLU H 1 95 LYS H . . 4.790 4.324 3.786 4.853 0.063 14 0 "[ . 1 . 2]" 1
265 1 22 GLU H 1 95 LYS QB . . 5.380 4.207 3.518 5.286 . 0 0 "[ . 1 . 2]" 1
266 1 22 GLU H 1 96 ILE HA . . 3.800 2.845 2.561 3.197 . 0 0 "[ . 1 . 2]" 1
267 1 22 GLU H 1 96 ILE HG12 . . 4.950 4.889 4.279 5.676 0.726 2 2 "[-+ . 1 . 2]" 1
268 1 22 GLU H 1 96 ILE MG . . 5.250 4.267 3.798 4.642 . 0 0 "[ . 1 . 2]" 1
269 1 22 GLU H 1 97 VAL H . . 4.320 3.841 3.001 4.373 0.053 15 0 "[ . 1 . 2]" 1
270 1 22 GLU HA 1 22 GLU QG . . 3.480 2.635 2.195 3.404 . 0 0 "[ . 1 . 2]" 1
271 1 22 GLU HA 1 23 TYR H . . 2.750 2.268 2.160 2.378 . 0 0 "[ . 1 . 2]" 1
272 1 22 GLU HA 1 23 TYR HB2 . . 4.560 4.419 4.116 4.620 0.060 14 0 "[ . 1 . 2]" 1
273 1 22 GLU HA 1 23 TYR QD . . 3.550 3.301 2.775 3.629 0.079 11 0 "[ . 1 . 2]" 1
274 1 22 GLU QB 1 23 TYR H . . 4.660 3.270 2.296 3.670 . 0 0 "[ . 1 . 2]" 1
275 1 22 GLU QB 1 24 PRO HD3 . . 3.530 2.567 2.191 3.118 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLU QB 1 96 ILE HA . . 3.970 3.390 2.878 4.079 0.109 19 0 "[ . 1 . 2]" 1
277 1 22 GLU QB 1 96 ILE MG . . 5.200 3.118 2.128 4.125 . 0 0 "[ . 1 . 2]" 1
278 1 22 GLU QG 1 23 TYR H . . 5.200 2.652 1.908 3.858 . 0 0 "[ . 1 . 2]" 1
279 1 22 GLU QG 1 24 PRO HD2 . . 5.410 3.950 3.075 5.399 . 0 0 "[ . 1 . 2]" 1
280 1 22 GLU QG 1 24 PRO HD3 . . 4.650 2.480 2.062 3.890 . 0 0 "[ . 1 . 2]" 1
281 1 22 GLU QG 1 96 ILE HA . . 5.470 4.626 2.090 5.555 0.085 5 0 "[ . 1 . 2]" 1
282 1 22 GLU QG 1 96 ILE MG . . 4.890 3.889 2.108 4.951 0.061 4 0 "[ . 1 . 2]" 1
283 1 22 GLU HG3 1 23 TYR H . . 4.150 2.806 1.915 4.105 . 0 0 "[ . 1 . 2]" 1
284 1 23 TYR H 1 23 TYR HB2 . . 3.670 2.639 2.518 2.792 . 0 0 "[ . 1 . 2]" 1
285 1 23 TYR H 1 23 TYR HB3 . . 4.000 3.761 3.686 3.838 . 0 0 "[ . 1 . 2]" 1
286 1 23 TYR H 1 23 TYR QD . . 2.950 2.975 2.795 3.030 0.080 15 0 "[ . 1 . 2]" 1
287 1 23 TYR H 1 24 PRO HD3 . . 4.630 3.138 2.705 3.344 . 0 0 "[ . 1 . 2]" 1
288 1 23 TYR HA 1 23 TYR QD . . 3.070 2.948 2.791 3.071 0.001 7 0 "[ . 1 . 2]" 1
289 1 23 TYR HA 1 24 PRO HD2 . . 3.250 2.340 2.172 2.610 . 0 0 "[ . 1 . 2]" 1
290 1 23 TYR HA 1 24 PRO HD3 . . 3.710 3.137 2.951 3.391 . 0 0 "[ . 1 . 2]" 1
291 1 23 TYR HA 1 97 VAL H . . 3.960 3.099 2.842 3.466 . 0 0 "[ . 1 . 2]" 1
292 1 23 TYR HA 1 97 VAL HB . . 4.370 3.110 2.567 3.872 . 0 0 "[ . 1 . 2]" 1
293 1 23 TYR HB3 1 97 VAL HB . . 4.910 4.132 3.700 4.710 . 0 0 "[ . 1 . 2]" 1
294 1 23 TYR QD 1 97 VAL H . . 4.180 4.222 3.743 4.275 0.095 10 0 "[ . 1 . 2]" 1
295 1 23 TYR QD 1 97 VAL HB . . 2.730 2.309 2.139 2.679 . 0 0 "[ . 1 . 2]" 1
296 1 23 TYR QD 1 97 VAL MG1 . . 2.980 2.794 2.299 3.102 0.122 18 0 "[ . 1 . 2]" 1
297 1 23 TYR QD 1 97 VAL MG2 . . 4.400 3.469 3.057 3.983 . 0 0 "[ . 1 . 2]" 1
298 1 23 TYR QE 1 97 VAL HB . . 3.110 3.002 2.534 3.205 0.095 4 0 "[ . 1 . 2]" 1
299 1 23 TYR QE 1 97 VAL MG1 . . 4.090 2.763 2.209 3.291 . 0 0 "[ . 1 . 2]" 1
300 1 23 TYR QE 1 97 VAL MG2 . . 2.690 2.508 2.238 2.793 0.103 18 0 "[ . 1 . 2]" 1
301 1 24 PRO HB2 1 25 ASP H . . 3.730 2.384 2.064 2.563 . 0 0 "[ . 1 . 2]" 1
302 1 24 PRO HD2 1 96 ILE MG . . 3.930 3.040 2.376 3.689 . 0 0 "[ . 1 . 2]" 1
303 1 24 PRO HD2 1 97 VAL H . . 4.520 3.263 2.737 3.612 . 0 0 "[ . 1 . 2]" 1
304 1 24 PRO HD3 1 96 ILE MG . . 3.910 3.156 2.495 3.771 . 0 0 "[ . 1 . 2]" 1
305 1 24 PRO HD3 1 97 VAL H . . 4.650 4.154 3.866 4.703 0.053 18 0 "[ . 1 . 2]" 1
306 1 24 PRO HG2 1 96 ILE MG . . 4.010 3.514 2.917 4.143 0.133 7 0 "[ . 1 . 2]" 1
307 1 24 PRO HG3 1 25 ASP H . . 5.000 4.924 4.623 5.078 0.078 8 0 "[ . 1 . 2]" 1
308 1 24 PRO HG3 1 96 ILE MG . . 4.050 2.930 2.196 3.409 . 0 0 "[ . 1 . 2]" 1
309 1 25 ASP H 1 25 ASP HB3 . . 3.300 3.209 2.833 3.442 0.142 6 0 "[ . 1 . 2]" 1
310 1 25 ASP H 1 28 SER H . . 3.700 3.714 3.111 3.789 0.089 6 0 "[ . 1 . 2]" 1
311 1 25 ASP H 1 99 PRO HG3 . . 4.880 4.736 3.855 5.463 0.583 12 2 "[ - 1 + . 2]" 1
312 1 25 ASP HA 1 99 PRO HD2 . . 4.960 3.129 2.181 4.765 . 0 0 "[ . 1 . 2]" 1
313 1 25 ASP HA 1 99 PRO HG2 . . 4.460 3.507 2.184 4.532 0.072 10 0 "[ . 1 . 2]" 1
314 1 25 ASP HA 1 99 PRO HG3 . . 3.930 2.417 2.045 3.044 . 0 0 "[ . 1 . 2]" 1
315 1 26 ASP H 1 26 ASP HB2 . . 3.780 3.018 2.051 3.607 . 0 0 "[ . 1 . 2]" 1
316 1 26 ASP H 1 26 ASP HB3 . . 3.810 3.580 2.645 3.899 0.089 7 0 "[ . 1 . 2]" 1
317 1 26 ASP H 1 27 SER H . . 4.190 3.796 2.521 4.228 0.038 15 0 "[ . 1 . 2]" 1
318 1 26 ASP H 1 99 PRO HB3 . . 5.500 4.585 3.291 5.567 0.067 10 0 "[ . 1 . 2]" 1
319 1 26 ASP H 1 99 PRO HD2 . . 4.800 4.659 4.072 4.880 0.080 14 0 "[ . 1 . 2]" 1
320 1 26 ASP HB2 1 27 SER H . . 4.180 3.518 2.012 4.262 0.082 19 0 "[ . 1 . 2]" 1
321 1 26 ASP HB3 1 27 SER H . . 3.770 2.343 1.879 3.758 . 0 0 "[ . 1 . 2]" 1
322 1 27 SER H 1 27 SER QB . . 2.920 2.905 2.453 3.021 0.101 5 0 "[ . 1 . 2]" 1
323 1 28 SER H 1 28 SER HB2 . . 3.240 2.964 2.510 4.083 0.843 3 1 "[ + . 1 . 2]" 1
324 1 28 SER H 1 29 ALA H . . 4.700 3.480 1.956 4.705 0.005 3 0 "[ . 1 . 2]" 1
325 1 28 SER HA 1 29 ALA H . . 2.820 2.423 2.079 2.900 0.080 18 0 "[ . 1 . 2]" 1
326 1 28 SER HA 1 29 ALA MB . . 5.090 4.341 3.969 4.660 . 0 0 "[ . 1 . 2]" 1
327 1 28 SER QB 1 29 ALA H . . 3.670 3.615 1.873 3.777 0.107 15 0 "[ . 1 . 2]" 1
328 1 28 SER QB 1 29 ALA MB . . 5.500 4.615 3.444 4.966 . 0 0 "[ . 1 . 2]" 1
329 1 29 ALA H 1 29 ALA MB . . 2.800 2.507 2.160 2.739 . 0 0 "[ . 1 . 2]" 1
330 1 29 ALA H 1 30 GLY H . . 5.110 4.524 4.283 4.783 . 0 0 "[ . 1 . 2]" 1
331 1 29 ALA HA 1 30 GLY H . . 2.790 2.490 2.241 2.727 . 0 0 "[ . 1 . 2]" 1
332 1 29 ALA HA 1 68 TYR H . . 5.500 5.048 4.463 5.566 0.066 3 0 "[ . 1 . 2]" 1
333 1 29 ALA HA 1 70 GLU HG3 . . 5.500 5.141 4.301 6.396 0.896 12 1 "[ . 1 + . 2]" 1
334 1 29 ALA MB 1 30 GLY H . . 3.280 2.789 2.224 3.355 0.075 16 0 "[ . 1 . 2]" 1
335 1 29 ALA MB 1 30 GLY HA2 . . 5.500 3.830 3.503 4.280 . 0 0 "[ . 1 . 2]" 1
336 1 29 ALA MB 1 30 GLY HA3 . . 5.500 4.381 4.120 4.701 . 0 0 "[ . 1 . 2]" 1
337 1 29 ALA MB 1 68 TYR H . . 5.500 4.277 3.442 4.836 . 0 0 "[ . 1 . 2]" 1
338 1 29 ALA MB 1 69 ASP HA . . 3.360 2.766 2.084 3.441 0.081 14 0 "[ . 1 . 2]" 1
339 1 29 ALA MB 1 70 GLU H . . 3.920 3.193 1.926 3.915 . 0 0 "[ . 1 . 2]" 1
340 1 29 ALA MB 1 70 GLU QB . . 3.440 2.998 2.120 3.445 0.005 4 0 "[ . 1 . 2]" 1
341 1 30 GLY H 1 31 SER H . . 4.320 4.248 3.995 4.348 0.028 8 0 "[ . 1 . 2]" 1
342 1 30 GLY H 1 31 SER HA . . 5.310 4.608 4.490 4.715 . 0 0 "[ . 1 . 2]" 1
343 1 30 GLY H 1 32 PHE H . . 5.500 5.581 5.556 5.596 0.096 6 0 "[ . 1 . 2]" 1
344 1 30 GLY H 1 67 SER HA . . 5.030 4.427 4.025 4.838 . 0 0 "[ . 1 . 2]" 1
345 1 30 GLY H 1 67 SER QB . . 5.420 5.060 4.187 5.524 0.104 10 0 "[ . 1 . 2]" 1
346 1 30 GLY H 1 68 TYR H . . 3.390 3.207 2.975 3.461 0.071 11 0 "[ . 1 . 2]" 1
347 1 30 GLY H 1 69 ASP HA . . 5.170 4.697 3.933 5.233 0.063 15 0 "[ . 1 . 2]" 1
348 1 30 GLY HA2 1 31 SER H . . 2.960 2.772 2.379 3.038 0.078 7 0 "[ . 1 . 2]" 1
349 1 30 GLY HA2 1 69 ASP HA . . 4.930 4.869 4.244 5.014 0.084 17 0 "[ . 1 . 2]" 1
350 1 30 GLY HA3 1 31 SER H . . 3.110 2.407 2.141 2.784 . 0 0 "[ . 1 . 2]" 1
351 1 31 SER H 1 32 PHE H . . 4.560 4.233 3.796 4.558 . 0 0 "[ . 1 . 2]" 1
352 1 31 SER H 1 67 SER HA . . 5.020 4.668 4.373 4.983 . 0 0 "[ . 1 . 2]" 1
353 1 31 SER HA 1 32 PHE H . . 2.820 2.141 2.073 2.201 . 0 0 "[ . 1 . 2]" 1
354 1 31 SER HA 1 32 PHE HA . . 4.960 4.443 4.394 4.485 . 0 0 "[ . 1 . 2]" 1
355 1 31 SER HA 1 32 PHE QD . . 4.220 3.849 3.137 4.307 0.087 16 0 "[ . 1 . 2]" 1
356 1 31 SER HA 1 66 VAL QG . . 5.500 4.093 3.398 4.697 . 0 0 "[ . 1 . 2]" 1
357 1 31 SER HA 1 67 SER HA . . 3.090 2.231 1.992 2.543 . 0 0 "[ . 1 . 2]" 1
358 1 31 SER HA 1 67 SER QB . . 3.580 2.935 2.162 3.666 0.086 16 0 "[ . 1 . 2]" 1
359 1 31 SER HA 1 68 TYR H . . 4.040 3.870 3.178 4.125 0.085 8 0 "[ . 1 . 2]" 1
360 1 31 SER QB 1 66 VAL QG . . 5.500 4.809 4.391 5.137 . 0 0 "[ . 1 . 2]" 1
361 1 32 PHE H 1 32 PHE QD . . 3.250 2.825 2.034 3.306 0.056 5 0 "[ . 1 . 2]" 1
362 1 32 PHE H 1 66 VAL H . . 3.680 3.543 3.175 3.747 0.067 20 0 "[ . 1 . 2]" 1
363 1 32 PHE H 1 66 VAL HA . . 5.150 5.123 5.006 5.231 0.081 6 0 "[ . 1 . 2]" 1
364 1 32 PHE H 1 67 SER HA . . 4.080 3.351 2.951 3.768 . 0 0 "[ . 1 . 2]" 1
365 1 32 PHE HA 1 32 PHE QD . . 3.980 3.769 3.736 3.812 . 0 0 "[ . 1 . 2]" 1
366 1 32 PHE HA 1 33 ILE H . . 2.750 2.730 2.566 2.824 0.074 17 0 "[ . 1 . 2]" 1
367 1 32 PHE HA 1 33 ILE MD . . 4.850 4.652 4.237 4.879 0.029 20 0 "[ . 1 . 2]" 1
368 1 32 PHE HA 1 33 ILE HG13 . . 4.360 3.224 2.852 3.433 . 0 0 "[ . 1 . 2]" 1
369 1 32 PHE HB2 1 33 ILE H . . 3.440 2.012 1.856 2.172 . 0 0 "[ . 1 . 2]" 1
370 1 32 PHE HB2 1 33 ILE HB . . 4.820 4.637 4.407 4.879 0.059 18 0 "[ . 1 . 2]" 1
371 1 32 PHE HB3 1 33 ILE H . . 3.740 3.516 3.401 3.656 . 0 0 "[ . 1 . 2]" 1
372 1 32 PHE QD 1 33 ILE H . . 3.210 2.861 2.620 3.147 . 0 0 "[ . 1 . 2]" 1
373 1 32 PHE QD 1 34 LEU HA . . 4.500 4.315 3.786 4.582 0.082 2 0 "[ . 1 . 2]" 1
374 1 32 PHE QD 1 34 LEU MD2 . . 2.950 2.967 2.681 3.076 0.126 13 0 "[ . 1 . 2]" 1
375 1 32 PHE QD 1 34 LEU HG . . 3.450 2.780 2.279 3.522 0.072 17 0 "[ . 1 . 2]" 1
376 1 32 PHE QD 1 66 VAL QG . . 3.080 2.815 2.374 3.093 0.013 16 0 "[ . 1 . 2]" 1
377 1 32 PHE QE 1 34 LEU MD2 . . 2.490 2.208 1.993 2.571 0.081 16 0 "[ . 1 . 2]" 1
378 1 32 PHE QE 1 34 LEU HG . . 3.370 2.831 2.241 3.430 0.060 10 0 "[ . 1 . 2]" 1
379 1 32 PHE QE 1 66 VAL QG . . 3.480 2.713 2.287 3.296 . 0 0 "[ . 1 . 2]" 1
380 1 33 ILE H 1 33 ILE HB . . 3.020 2.728 2.582 2.910 . 0 0 "[ . 1 . 2]" 1
381 1 33 ILE H 1 33 ILE HG12 . . 3.830 3.883 3.756 3.904 0.074 8 0 "[ . 1 . 2]" 1
382 1 33 ILE H 1 33 ILE HG13 . . 3.850 2.989 2.804 3.143 . 0 0 "[ . 1 . 2]" 1
383 1 33 ILE H 1 33 ILE MG . . 3.980 3.899 3.813 4.002 0.022 17 0 "[ . 1 . 2]" 1
384 1 33 ILE H 1 34 LEU H . . 5.500 4.332 4.006 4.446 . 0 0 "[ . 1 . 2]" 1
385 1 33 ILE HA 1 33 ILE HG12 . . 3.760 2.529 2.332 2.696 . 0 0 "[ . 1 . 2]" 1
386 1 33 ILE HA 1 33 ILE HG13 . . 3.820 3.234 3.127 3.368 . 0 0 "[ . 1 . 2]" 1
387 1 33 ILE HA 1 33 ILE MG . . 3.260 2.422 2.291 2.589 . 0 0 "[ . 1 . 2]" 1
388 1 33 ILE HA 1 34 LEU H . . 3.010 2.338 2.108 2.502 . 0 0 "[ . 1 . 2]" 1
389 1 33 ILE HA 1 65 SER HA . . 3.370 2.750 2.172 3.091 . 0 0 "[ . 1 . 2]" 1
390 1 33 ILE HA 1 66 VAL H . . 4.720 3.304 2.730 3.843 . 0 0 "[ . 1 . 2]" 1
391 1 33 ILE HB 1 34 LEU H . . 4.250 3.939 3.645 4.315 0.065 3 0 "[ . 1 . 2]" 1
392 1 33 ILE MD 1 65 SER HA . . 3.830 3.721 3.137 3.915 0.085 11 0 "[ . 1 . 2]" 1
393 1 33 ILE HG12 1 34 LEU H . . 4.880 4.468 4.199 4.731 . 0 0 "[ . 1 . 2]" 1
394 1 33 ILE HG13 1 34 LEU H . . 5.430 5.181 5.054 5.330 . 0 0 "[ . 1 . 2]" 1
395 1 33 ILE MG 1 34 LEU H . . 3.480 2.343 1.991 2.960 . 0 0 "[ . 1 . 2]" 1
396 1 33 ILE MG 1 64 SER QB . . 3.420 2.916 2.107 3.431 0.011 17 0 "[ . 1 . 2]" 1
397 1 33 ILE MG 1 65 SER HA . . 4.000 3.134 2.549 3.559 . 0 0 "[ . 1 . 2]" 1
398 1 33 ILE MG 1 65 SER QB . . 5.500 4.449 3.751 4.882 . 0 0 "[ . 1 . 2]" 1
399 1 34 LEU H 1 34 LEU HB2 . . 3.640 2.557 2.348 2.717 . 0 0 "[ . 1 . 2]" 1
400 1 34 LEU H 1 34 LEU HB3 . . 4.160 3.721 3.603 3.824 . 0 0 "[ . 1 . 2]" 1
401 1 34 LEU H 1 34 LEU MD1 . . 4.000 3.948 3.542 4.092 0.092 1 0 "[ . 1 . 2]" 1
402 1 34 LEU H 1 34 LEU MD2 . . 4.360 4.061 3.783 4.256 . 0 0 "[ . 1 . 2]" 1
403 1 34 LEU H 1 34 LEU HG . . 4.050 3.140 2.631 3.414 . 0 0 "[ . 1 . 2]" 1
404 1 34 LEU H 1 66 VAL QG . . 5.500 3.298 2.684 3.872 . 0 0 "[ . 1 . 2]" 1
405 1 34 LEU HA 1 34 LEU MD1 . . 4.210 3.913 3.854 3.963 . 0 0 "[ . 1 . 2]" 1
406 1 34 LEU HA 1 34 LEU MD2 . . 3.050 2.190 2.081 2.288 . 0 0 "[ . 1 . 2]" 1
407 1 34 LEU HA 1 34 LEU HG . . 4.080 2.978 2.829 3.244 . 0 0 "[ . 1 . 2]" 1
408 1 34 LEU HA 1 35 ASP H . . 2.740 2.439 2.181 2.772 0.032 16 0 "[ . 1 . 2]" 1
409 1 34 LEU HB2 1 34 LEU MD1 . . 3.480 2.266 2.214 2.352 . 0 0 "[ . 1 . 2]" 1
410 1 34 LEU HB2 1 35 ASP H . . 4.380 3.663 3.003 4.039 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU HB2 1 36 ILE MD . . 3.730 2.404 2.084 3.080 . 0 0 "[ . 1 . 2]" 1
412 1 34 LEU HB2 1 36 ILE HG12 . . 5.500 4.298 3.673 5.048 . 0 0 "[ . 1 . 2]" 1
413 1 34 LEU HB2 1 36 ILE HG13 . . 5.060 3.153 2.305 4.792 . 0 0 "[ . 1 . 2]" 1
414 1 34 LEU HB3 1 34 LEU MD2 . . 3.410 2.310 2.233 2.433 . 0 0 "[ . 1 . 2]" 1
415 1 34 LEU HB3 1 35 ASP H . . 3.360 2.478 1.966 2.878 . 0 0 "[ . 1 . 2]" 1
416 1 34 LEU HB3 1 36 ILE MD . . 4.200 3.017 2.517 3.459 . 0 0 "[ . 1 . 2]" 1
417 1 34 LEU HB3 1 36 ILE HG12 . . 4.720 4.214 2.901 5.540 0.820 6 1 "[ .+ 1 . 2]" 1
418 1 34 LEU MD1 1 36 ILE MD . . 3.350 2.533 2.106 3.364 0.014 2 0 "[ . 1 . 2]" 1
419 1 34 LEU MD2 1 35 ASP H . . 3.780 3.358 3.093 3.661 . 0 0 "[ . 1 . 2]" 1
420 1 34 LEU MD2 1 36 ILE MD . . 4.150 4.158 3.920 4.275 0.125 15 0 "[ . 1 . 2]" 1
421 1 34 LEU HG 1 36 ILE MD . . 5.300 4.227 3.866 4.577 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU HG 1 66 VAL HB . . 5.020 4.499 3.275 5.075 0.055 3 0 "[ . 1 . 2]" 1
423 1 34 LEU HG 1 66 VAL QG . . 3.550 2.417 2.011 3.117 . 0 0 "[ . 1 . 2]" 1
424 1 35 ASP H 1 35 ASP HB2 . . 3.730 2.453 2.245 2.698 . 0 0 "[ . 1 . 2]" 1
425 1 35 ASP H 1 36 ILE H . . 4.710 3.788 2.811 4.371 . 0 0 "[ . 1 . 2]" 1
426 1 35 ASP HA 1 36 ILE H . . 2.820 2.370 2.078 2.850 0.030 20 0 "[ . 1 . 2]" 1
427 1 35 ASP HB2 1 36 ILE H . . 5.500 4.522 4.275 4.651 . 0 0 "[ . 1 . 2]" 1
428 1 35 ASP HB3 1 36 ILE H . . 5.500 4.150 3.725 4.552 . 0 0 "[ . 1 . 2]" 1
429 1 36 ILE H 1 36 ILE HB . . 3.530 2.456 2.214 2.789 . 0 0 "[ . 1 . 2]" 1
430 1 36 ILE H 1 36 ILE MD . . 4.570 3.445 2.414 4.169 . 0 0 "[ . 1 . 2]" 1
431 1 36 ILE H 1 36 ILE HG13 . . 4.370 2.929 2.144 3.951 . 0 0 "[ . 1 . 2]" 1
432 1 36 ILE H 1 36 ILE MG . . 4.530 3.780 3.656 3.926 . 0 0 "[ . 1 . 2]" 1
433 1 36 ILE H 1 37 THR H . . 4.710 4.501 4.355 4.684 . 0 0 "[ . 1 . 2]" 1
434 1 36 ILE HA 1 36 ILE MD . . 4.210 3.740 3.080 4.026 . 0 0 "[ . 1 . 2]" 1
435 1 36 ILE HA 1 36 ILE HG12 . . 4.120 2.781 2.347 3.629 . 0 0 "[ . 1 . 2]" 1
436 1 36 ILE HA 1 37 THR H . . 2.760 2.235 2.033 2.468 . 0 0 "[ . 1 . 2]" 1
437 1 36 ILE HB 1 37 THR H . . 5.360 4.139 3.925 4.378 . 0 0 "[ . 1 . 2]" 1
438 1 36 ILE HB 1 51 TRP HH2 . . 3.690 3.270 2.578 3.766 0.076 11 0 "[ . 1 . 2]" 1
439 1 36 ILE MD 1 37 THR H . . 5.000 5.045 4.811 5.104 0.104 11 0 "[ . 1 . 2]" 1
440 1 36 ILE MD 1 51 TRP HZ2 . . 3.820 3.108 2.211 3.933 0.113 11 0 "[ . 1 . 2]" 1
441 1 36 ILE MD 1 92 LEU QD . . 3.810 2.986 2.124 3.841 0.031 12 0 "[ . 1 . 2]" 1
442 1 36 ILE HG12 1 37 THR H . . 5.260 4.365 3.929 4.948 . 0 0 "[ . 1 . 2]" 1
443 1 36 ILE HG12 1 92 LEU QD . . 4.950 3.112 2.156 4.064 . 0 0 "[ . 1 . 2]" 1
444 1 36 ILE HG13 1 92 LEU QD . . 5.500 4.212 2.439 5.063 . 0 0 "[ . 1 . 2]" 1
445 1 36 ILE MG 1 37 THR H . . 3.640 2.492 2.133 2.904 . 0 0 "[ . 1 . 2]" 1
446 1 36 ILE MG 1 37 THR HB . . 5.300 4.420 4.037 4.993 . 0 0 "[ . 1 . 2]" 1
447 1 36 ILE MG 1 37 THR MG . . 5.500 4.824 4.558 5.026 . 0 0 "[ . 1 . 2]" 1
448 1 36 ILE MG 1 38 SER H . . 5.070 4.205 3.734 4.769 . 0 0 "[ . 1 . 2]" 1
449 1 36 ILE MG 1 38 SER HA . . 4.550 4.348 3.692 4.637 0.087 9 0 "[ . 1 . 2]" 1
450 1 36 ILE MG 1 38 SER HB2 . . 4.890 3.660 2.197 4.942 0.052 8 0 "[ . 1 . 2]" 1
451 1 36 ILE MG 1 38 SER HB3 . . 3.630 3.611 2.370 4.564 0.934 16 5 "[-* * *1 .+ 2]" 1
452 1 36 ILE MG 1 51 TRP HH2 . . 3.890 3.500 2.517 3.979 0.089 10 0 "[ . 1 . 2]" 1
453 1 36 ILE MG 1 51 TRP HZ3 . . 5.340 3.913 2.595 4.660 . 0 0 "[ . 1 . 2]" 1
454 1 36 ILE MG 1 92 LEU QD . . 3.900 2.619 2.103 3.490 . 0 0 "[ . 1 . 2]" 1
455 1 37 THR H 1 37 THR HB . . 3.110 2.769 2.451 3.140 0.030 15 0 "[ . 1 . 2]" 1
456 1 37 THR H 1 37 THR MG . . 4.600 3.795 3.662 3.901 . 0 0 "[ . 1 . 2]" 1
457 1 37 THR HA 1 37 THR MG . . 3.210 2.235 2.117 2.347 . 0 0 "[ . 1 . 2]" 1
458 1 37 THR HA 1 38 SER H . . 2.700 2.226 2.139 2.336 . 0 0 "[ . 1 . 2]" 1
459 1 37 THR HA 1 39 TYR H . . 5.500 5.005 4.414 5.459 . 0 0 "[ . 1 . 2]" 1
460 1 37 THR HA 1 39 TYR QD . . 4.300 3.613 3.141 4.106 . 0 0 "[ . 1 . 2]" 1
461 1 37 THR MG 1 38 SER H . . 3.340 2.870 2.466 3.303 . 0 0 "[ . 1 . 2]" 1
462 1 37 THR MG 1 38 SER HA . . 4.960 4.076 3.288 4.768 . 0 0 "[ . 1 . 2]" 1
463 1 37 THR MG 1 39 TYR QD . . 2.570 2.620 2.201 2.690 0.120 2 0 "[ . 1 . 2]" 1
464 1 37 THR MG 1 39 TYR QE . . 2.400 2.060 1.993 2.279 . 0 0 "[ . 1 . 2]" 1
465 1 38 SER H 1 38 SER HB2 . . 3.940 3.411 2.569 4.015 0.075 20 0 "[ . 1 . 2]" 1
466 1 38 SER H 1 38 SER HB3 . . 4.180 3.279 2.642 3.913 . 0 0 "[ . 1 . 2]" 1
467 1 38 SER H 1 39 TYR QD . . 3.070 2.645 2.437 2.932 . 0 0 "[ . 1 . 2]" 1
468 1 38 SER H 1 39 TYR QE . . 4.220 4.285 4.093 4.315 0.095 20 0 "[ . 1 . 2]" 1
469 1 38 SER H 1 51 TRP HZ3 . . 5.500 4.860 4.347 5.455 . 0 0 "[ . 1 . 2]" 1
470 1 38 SER HA 1 39 TYR H . . 2.900 2.433 2.166 2.804 . 0 0 "[ . 1 . 2]" 1
471 1 38 SER HA 1 85 GLN HE21 . . 3.970 3.318 2.443 4.040 0.070 16 0 "[ . 1 . 2]" 1
472 1 38 SER HA 1 85 GLN HE22 . . 3.990 2.655 2.026 3.786 . 0 0 "[ . 1 . 2]" 1
473 1 38 SER HB2 1 51 TRP HE3 . . 4.260 3.431 2.877 4.015 . 0 0 "[ . 1 . 2]" 1
474 1 38 SER HB2 1 51 TRP HZ3 . . 4.460 3.135 2.174 4.365 . 0 0 "[ . 1 . 2]" 1
475 1 38 SER HB3 1 39 TYR H . . 5.110 4.535 4.266 4.700 . 0 0 "[ . 1 . 2]" 1
476 1 38 SER HB3 1 51 TRP HE3 . . 4.180 3.402 2.732 4.114 . 0 0 "[ . 1 . 2]" 1
477 1 38 SER HB3 1 51 TRP HZ3 . . 4.320 2.925 2.167 4.239 . 0 0 "[ . 1 . 2]" 1
478 1 38 SER HB3 1 85 GLN HE22 . . 5.500 4.414 2.976 5.592 0.092 7 0 "[ . 1 . 2]" 1
479 1 39 TYR H 1 39 TYR QD . . 4.740 3.353 2.694 3.756 . 0 0 "[ . 1 . 2]" 1
480 1 39 TYR H 1 49 LEU H . . 5.400 4.554 4.134 4.980 . 0 0 "[ . 1 . 2]" 1
481 1 39 TYR H 1 85 GLN HE21 . . 4.460 4.392 3.943 4.543 0.083 11 0 "[ . 1 . 2]" 1
482 1 39 TYR H 1 85 GLN HE22 . . 3.830 3.705 3.312 3.901 0.071 4 0 "[ . 1 . 2]" 1
483 1 39 TYR HA 1 39 TYR QD . . 4.490 3.811 3.768 3.850 . 0 0 "[ . 1 . 2]" 1
484 1 39 TYR HA 1 40 LYS H . . 2.940 2.470 2.356 2.599 . 0 0 "[ . 1 . 2]" 1
485 1 39 TYR HA 1 48 ALA HA . . 3.240 2.319 2.084 2.781 . 0 0 "[ . 1 . 2]" 1
486 1 39 TYR HA 1 48 ALA MB . . 4.170 3.931 3.769 4.256 0.086 13 0 "[ . 1 . 2]" 1
487 1 39 TYR HA 1 49 LEU H . . 3.420 2.727 1.967 3.005 . 0 0 "[ . 1 . 2]" 1
488 1 39 TYR HA 1 49 LEU QB . . 4.930 3.554 3.299 4.157 . 0 0 "[ . 1 . 2]" 1
489 1 39 TYR HA 1 49 LEU QD . . 3.920 2.818 1.982 3.859 . 0 0 "[ . 1 . 2]" 1
490 1 39 TYR HB2 1 40 LYS H . . 3.810 2.358 2.223 2.511 . 0 0 "[ . 1 . 2]" 1
491 1 39 TYR HB2 1 46 THR HB . . 5.190 3.024 2.516 3.614 . 0 0 "[ . 1 . 2]" 1
492 1 39 TYR HB2 1 46 THR MG . . 5.300 3.975 3.618 4.354 . 0 0 "[ . 1 . 2]" 1
493 1 39 TYR HB2 1 48 ALA HA . . 3.910 2.678 2.421 3.153 . 0 0 "[ . 1 . 2]" 1
494 1 39 TYR HB2 1 48 ALA MB . . 4.500 3.925 3.473 4.476 . 0 0 "[ . 1 . 2]" 1
495 1 39 TYR HB2 1 49 LEU H . . 4.960 4.497 3.913 5.098 0.138 16 0 "[ . 1 . 2]" 1
496 1 39 TYR HB3 1 40 LYS H . . 3.620 3.749 3.549 3.848 0.228 2 0 "[ . 1 . 2]" 1
497 1 39 TYR HB3 1 46 THR HB . . 4.570 4.092 3.298 4.672 0.102 6 0 "[ . 1 . 2]" 1
498 1 39 TYR HB3 1 46 THR MG . . 5.230 4.964 4.387 5.328 0.098 11 0 "[ . 1 . 2]" 1
499 1 39 TYR HB3 1 48 ALA HA . . 3.900 2.253 2.112 2.598 . 0 0 "[ . 1 . 2]" 1
500 1 39 TYR HB3 1 49 LEU H . . 5.100 3.768 3.476 4.292 . 0 0 "[ . 1 . 2]" 1
501 1 39 TYR QD 1 40 LYS H . . 3.180 3.108 2.850 3.268 0.088 16 0 "[ . 1 . 2]" 1
502 1 39 TYR QD 1 41 LYS HA . . 4.660 3.720 3.373 4.079 . 0 0 "[ . 1 . 2]" 1
503 1 39 TYR QD 1 41 LYS QB . . 5.020 3.010 2.508 3.397 . 0 0 "[ . 1 . 2]" 1
504 1 39 TYR QD 1 46 THR HA . . 4.440 3.545 2.952 3.999 . 0 0 "[ . 1 . 2]" 1
505 1 39 TYR QD 1 46 THR HB . . 3.050 2.832 2.247 3.120 0.070 7 0 "[ . 1 . 2]" 1
506 1 39 TYR QD 1 46 THR MG . . 2.740 2.502 2.305 2.830 0.090 11 0 "[ . 1 . 2]" 1
507 1 39 TYR QD 1 47 LYS H . . 4.850 4.251 3.483 4.928 0.078 13 0 "[ . 1 . 2]" 1
508 1 39 TYR QE 1 41 LYS QB . . 3.890 2.300 2.062 2.690 . 0 0 "[ . 1 . 2]" 1
509 1 39 TYR QE 1 41 LYS QD . . 3.610 2.786 2.227 3.661 0.051 10 0 "[ . 1 . 2]" 1
510 1 39 TYR QE 1 41 LYS QE . . 4.020 3.784 2.769 4.123 0.103 19 0 "[ . 1 . 2]" 1
511 1 39 TYR QE 1 41 LYS HG3 . . 4.620 3.881 2.898 4.690 0.070 10 0 "[ . 1 . 2]" 1
512 1 39 TYR QE 1 46 THR HB . . 4.540 3.925 3.425 4.365 . 0 0 "[ . 1 . 2]" 1
513 1 39 TYR QE 1 46 THR MG . . 3.590 2.440 2.166 2.824 . 0 0 "[ . 1 . 2]" 1
514 1 40 LYS H 1 40 LYS HB2 . . 3.760 3.827 3.811 3.840 0.080 14 0 "[ . 1 . 2]" 1
515 1 40 LYS H 1 40 LYS HB3 . . 3.930 3.140 3.032 3.205 . 0 0 "[ . 1 . 2]" 1
516 1 40 LYS H 1 40 LYS HG2 . . 4.290 3.448 2.558 3.930 . 0 0 "[ . 1 . 2]" 1
517 1 40 LYS H 1 40 LYS HG3 . . 4.180 2.375 2.169 2.970 . 0 0 "[ . 1 . 2]" 1
518 1 40 LYS H 1 46 THR HA . . 5.010 4.199 3.921 4.515 . 0 0 "[ . 1 . 2]" 1
519 1 40 LYS H 1 46 THR MG . . 4.710 4.598 4.134 4.800 0.090 14 0 "[ . 1 . 2]" 1
520 1 40 LYS H 1 47 LYS H . . 3.740 3.235 2.719 3.804 0.064 11 0 "[ . 1 . 2]" 1
521 1 40 LYS H 1 48 ALA HA . . 4.490 3.760 3.532 4.500 0.010 13 0 "[ . 1 . 2]" 1
522 1 40 LYS H 1 49 LEU H . . 4.960 4.883 4.144 5.041 0.081 16 0 "[ . 1 . 2]" 1
523 1 40 LYS H 1 49 LEU QD . . 4.330 3.327 2.508 4.109 . 0 0 "[ . 1 . 2]" 1
524 1 40 LYS HA 1 41 LYS H . . 2.760 2.237 2.072 2.417 . 0 0 "[ . 1 . 2]" 1
525 1 40 LYS HA 1 41 LYS QB . . 4.820 3.901 3.658 4.130 . 0 0 "[ . 1 . 2]" 1
526 1 40 LYS HB2 1 40 LYS QE . . 3.810 3.315 2.236 3.922 0.112 16 0 "[ . 1 . 2]" 1
527 1 40 LYS HB2 1 42 THR MG . . 3.730 3.823 3.799 3.838 0.108 20 0 "[ . 1 . 2]" 1
528 1 40 LYS QD 1 41 LYS H . . 3.960 3.810 3.510 3.958 . 0 0 "[ . 1 . 2]" 1
529 1 40 LYS QE 1 40 LYS HG3 . . 3.690 2.883 2.223 3.585 . 0 0 "[ . 1 . 2]" 1
530 1 40 LYS QE 1 42 THR MG . . 5.080 2.766 1.983 4.109 . 0 0 "[ . 1 . 2]" 1
531 1 41 LYS H 1 41 LYS QB . . 3.580 2.387 2.225 2.635 . 0 0 "[ . 1 . 2]" 1
532 1 41 LYS H 1 42 THR H . . 4.930 4.391 4.265 4.461 . 0 0 "[ . 1 . 2]" 1
533 1 41 LYS HA 1 41 LYS QD . . 4.410 4.030 3.943 4.204 . 0 0 "[ . 1 . 2]" 1
534 1 41 LYS HA 1 41 LYS HG3 . . 3.710 2.482 2.367 2.684 . 0 0 "[ . 1 . 2]" 1
535 1 41 LYS HA 1 42 THR H . . 2.690 2.184 2.073 2.254 . 0 0 "[ . 1 . 2]" 1
536 1 41 LYS HA 1 42 THR HB . . 4.730 4.754 4.605 4.822 0.092 8 0 "[ . 1 . 2]" 1
537 1 41 LYS HA 1 45 SER H . . 5.210 4.652 4.470 4.891 . 0 0 "[ . 1 . 2]" 1
538 1 41 LYS HA 1 46 THR HA . . 3.340 2.576 2.296 3.116 . 0 0 "[ . 1 . 2]" 1
539 1 41 LYS HA 1 46 THR HB . . 4.650 4.327 3.893 4.634 . 0 0 "[ . 1 . 2]" 1
540 1 41 LYS HA 1 46 THR MG . . 3.480 2.346 2.033 2.765 . 0 0 "[ . 1 . 2]" 1
541 1 41 LYS QB 1 41 LYS QD . . 3.350 2.116 2.055 2.223 . 0 0 "[ . 1 . 2]" 1
542 1 41 LYS QB 1 42 THR H . . 4.130 3.723 3.499 3.789 . 0 0 "[ . 1 . 2]" 1
543 1 41 LYS QB 1 46 THR HB . . 5.230 4.533 4.123 5.024 . 0 0 "[ . 1 . 2]" 1
544 1 41 LYS QB 1 46 THR MG . . 4.270 2.383 2.029 2.866 . 0 0 "[ . 1 . 2]" 1
545 1 41 LYS QD 1 42 THR H . . 5.230 4.819 4.440 5.014 . 0 0 "[ . 1 . 2]" 1
546 1 41 LYS QD 1 46 THR MG . . 4.050 3.131 2.687 3.562 . 0 0 "[ . 1 . 2]" 1
547 1 41 LYS QE 1 41 LYS HG3 . . 3.070 2.219 2.086 2.357 . 0 0 "[ . 1 . 2]" 1
548 1 41 LYS QE 1 42 THR H . . 4.790 4.733 4.150 4.882 0.092 15 0 "[ . 1 . 2]" 1
549 1 41 LYS QE 1 46 THR MG . . 3.720 2.576 1.852 3.303 . 0 0 "[ . 1 . 2]" 1
550 1 41 LYS HG3 1 42 THR H . . 4.140 3.158 2.488 3.575 . 0 0 "[ . 1 . 2]" 1
551 1 41 LYS HG3 1 45 SER H . . 5.180 4.654 3.934 5.234 0.054 6 0 "[ . 1 . 2]" 1
552 1 42 THR H 1 42 THR HB . . 3.660 3.644 3.424 3.712 0.052 6 0 "[ . 1 . 2]" 1
553 1 42 THR H 1 42 THR MG . . 4.000 2.854 2.550 3.676 . 0 0 "[ . 1 . 2]" 1
554 1 42 THR H 1 44 ASN H . . 4.650 4.631 4.108 4.730 0.080 11 0 "[ . 1 . 2]" 1
555 1 42 THR H 1 45 SER H . . 3.640 3.198 3.026 3.458 . 0 0 "[ . 1 . 2]" 1
556 1 42 THR H 1 46 THR HA . . 3.940 3.860 3.534 4.023 0.083 13 0 "[ . 1 . 2]" 1
557 1 42 THR H 1 46 THR MG . . 5.100 3.744 3.176 4.155 . 0 0 "[ . 1 . 2]" 1
558 1 42 THR HA 1 42 THR MG . . 3.190 3.210 2.184 3.274 0.084 11 0 "[ . 1 . 2]" 1
559 1 42 THR HA 1 43 GLY H . . 3.330 2.416 2.164 2.808 . 0 0 "[ . 1 . 2]" 1
560 1 42 THR MG 1 43 GLY H . . 5.450 3.695 2.773 4.160 . 0 0 "[ . 1 . 2]" 1
561 1 43 GLY H 1 45 SER H . . 5.500 4.914 4.336 5.169 . 0 0 "[ . 1 . 2]" 1
562 1 43 GLY HA3 1 45 SER H . . 4.720 4.052 3.561 4.675 . 0 0 "[ . 1 . 2]" 1
563 1 44 ASN H 1 45 SER H . . 3.480 2.325 1.791 2.598 . 0 0 "[ . 1 . 2]" 1
564 1 44 ASN HA 1 44 ASN HB2 . . 2.960 2.634 2.443 3.042 0.082 14 0 "[ . 1 . 2]" 1
565 1 44 ASN HB2 1 44 ASN HD22 . . 3.560 3.707 3.333 4.134 0.574 20 1 "[ . 1 . +]" 1
566 1 44 ASN HB2 1 45 SER H . . 4.830 4.563 4.142 4.746 . 0 0 "[ . 1 . 2]" 1
567 1 44 ASN HB3 1 44 ASN HD22 . . 3.800 3.733 3.421 4.161 0.361 19 0 "[ . 1 . 2]" 1
568 1 44 ASN HB3 1 45 SER H . . 4.210 4.261 3.702 4.601 0.391 17 0 "[ . 1 . 2]" 1
569 1 45 SER H 1 45 SER QB . . 3.090 2.844 2.597 3.031 . 0 0 "[ . 1 . 2]" 1
570 1 45 SER H 1 46 THR H . . 4.310 4.350 4.227 4.388 0.078 10 0 "[ . 1 . 2]" 1
571 1 45 SER HA 1 46 THR H . . 2.710 2.401 2.149 2.757 0.047 12 0 "[ . 1 . 2]" 1
572 1 45 SER HA 1 46 THR HA . . 4.480 4.508 4.430 4.544 0.064 11 0 "[ . 1 . 2]" 1
573 1 45 SER QB 1 46 THR H . . 3.600 2.703 1.973 3.305 . 0 0 "[ . 1 . 2]" 1
574 1 46 THR H 1 46 THR HB . . 4.040 3.739 3.515 3.949 . 0 0 "[ . 1 . 2]" 1
575 1 46 THR H 1 46 THR MG . . 3.510 3.309 3.085 3.588 0.078 20 0 "[ . 1 . 2]" 1
576 1 46 THR H 1 47 LYS H . . 4.020 3.940 3.280 4.114 0.094 2 0 "[ . 1 . 2]" 1
577 1 46 THR H 1 47 LYS HA . . 4.680 4.573 4.301 4.718 0.038 7 0 "[ . 1 . 2]" 1
578 1 46 THR HA 1 46 THR MG . . 3.070 2.253 2.149 2.381 . 0 0 "[ . 1 . 2]" 1
579 1 46 THR HA 1 47 LYS H . . 2.760 2.203 2.071 2.331 . 0 0 "[ . 1 . 2]" 1
580 1 46 THR HB 1 47 LYS H . . 3.940 3.666 2.627 4.021 0.081 6 0 "[ . 1 . 2]" 1
581 1 46 THR MG 1 47 LYS H . . 4.380 3.948 3.445 4.233 . 0 0 "[ . 1 . 2]" 1
582 1 47 LYS H 1 47 LYS HB2 . . 3.450 2.636 2.311 3.415 . 0 0 "[ . 1 . 2]" 1
583 1 47 LYS H 1 47 LYS QB . . 3.340 2.376 2.237 2.816 . 0 0 "[ . 1 . 2]" 1
584 1 47 LYS HA 1 47 LYS QE . . 4.910 3.737 1.961 4.564 . 0 0 "[ . 1 . 2]" 1
585 1 47 LYS HA 1 47 LYS QG . . 3.620 2.351 2.152 2.749 . 0 0 "[ . 1 . 2]" 1
586 1 47 LYS HA 1 48 ALA H . . 2.490 2.203 2.131 2.312 . 0 0 "[ . 1 . 2]" 1
587 1 47 LYS QB 1 47 LYS QE . . 2.650 2.298 1.912 2.718 0.068 19 0 "[ . 1 . 2]" 1
588 1 47 LYS QB 1 47 LYS QG . . 2.400 2.072 1.997 2.126 . 0 0 "[ . 1 . 2]" 1
589 1 47 LYS QE 1 47 LYS QG . . 3.060 2.326 2.099 2.788 . 0 0 "[ . 1 . 2]" 1
590 1 47 LYS QE 1 48 ALA H . . 5.160 4.384 3.161 5.250 0.090 9 0 "[ . 1 . 2]" 1
591 1 47 LYS QG 1 48 ALA H . . 3.760 3.302 2.298 3.830 0.070 20 0 "[ . 1 . 2]" 1
592 1 48 ALA H 1 48 ALA MB . . 2.590 2.265 2.153 2.326 . 0 0 "[ . 1 . 2]" 1
593 1 48 ALA H 1 49 LEU H . . 5.240 4.601 4.434 4.684 . 0 0 "[ . 1 . 2]" 1
594 1 48 ALA HA 1 49 LEU H . . 3.050 2.317 2.162 2.441 . 0 0 "[ . 1 . 2]" 1
595 1 48 ALA MB 1 49 LEU H . . 3.380 2.617 2.352 3.310 . 0 0 "[ . 1 . 2]" 1
596 1 49 LEU H 1 49 LEU QD . . 4.370 3.164 2.363 3.951 . 0 0 "[ . 1 . 2]" 1
597 1 49 LEU H 1 49 LEU HG . . 4.420 3.840 2.854 4.504 0.084 5 0 "[ . 1 . 2]" 1
598 1 49 LEU HA 1 49 LEU QD . . 2.800 2.089 1.965 2.200 . 0 0 "[ . 1 . 2]" 1
599 1 49 LEU HA 1 49 LEU HG . . 4.250 3.383 2.835 3.734 . 0 0 "[ . 1 . 2]" 1
600 1 49 LEU HA 1 50 SER H . . 2.810 2.202 2.009 2.863 0.053 15 0 "[ . 1 . 2]" 1
601 1 49 LEU HA 1 50 SER HA . . 4.640 4.443 4.306 4.660 0.020 15 0 "[ . 1 . 2]" 1
602 1 49 LEU QB 1 50 SER H . . 4.380 2.978 1.856 3.328 . 0 0 "[ . 1 . 2]" 1
603 1 49 LEU QB 1 85 GLN HE21 . . 4.200 3.114 2.354 3.596 . 0 0 "[ . 1 . 2]" 1
604 1 49 LEU QB 1 85 GLN HG2 . . 4.760 2.311 1.924 3.474 . 0 0 "[ . 1 . 2]" 1
605 1 49 LEU QB 1 86 ASP QB . . 3.520 2.455 2.002 2.807 . 0 0 "[ . 1 . 2]" 1
606 1 49 LEU QD 1 50 SER H . . 3.500 3.411 2.903 3.511 0.011 10 0 "[ . 1 . 2]" 1
607 1 49 LEU QD 1 85 GLN HE21 . . 4.530 3.230 1.655 4.503 . 0 0 "[ . 1 . 2]" 1
608 1 49 LEU QD 1 85 GLN HE22 . . 5.280 3.675 2.668 4.502 . 0 0 "[ . 1 . 2]" 1
609 1 49 LEU QD 1 85 GLN HG2 . . 3.820 3.068 2.171 3.798 . 0 0 "[ . 1 . 2]" 1
610 1 49 LEU QD 1 86 ASP QB . . 3.410 2.320 2.004 2.955 . 0 0 "[ . 1 . 2]" 1
611 1 49 LEU QD 1 87 GLU HB2 . . 4.030 2.285 1.896 2.918 . 0 0 "[ . 1 . 2]" 1
612 1 49 LEU QD 1 87 GLU QG . . 4.180 2.197 1.950 2.607 . 0 0 "[ . 1 . 2]" 1
613 1 49 LEU QD 1 88 SER H . . 4.690 3.430 2.368 4.385 . 0 0 "[ . 1 . 2]" 1
614 1 49 LEU HG 1 50 SER H . . 5.060 4.983 4.103 5.136 0.076 10 0 "[ . 1 . 2]" 1
615 1 49 LEU HG 1 85 GLN HG2 . . 4.480 3.907 2.614 5.284 0.804 13 1 "[ . 1 + . 2]" 1
616 1 49 LEU HG 1 86 ASP QB . . 4.580 3.967 2.893 4.664 0.084 12 0 "[ . 1 . 2]" 1
617 1 50 SER H 1 50 SER HB2 . . 3.500 2.704 2.245 3.559 0.059 18 0 "[ . 1 . 2]" 1
618 1 50 SER H 1 50 SER HB3 . . 3.830 3.353 2.540 3.827 . 0 0 "[ . 1 . 2]" 1
619 1 50 SER H 1 51 TRP H . . 4.510 4.552 4.419 4.589 0.079 13 0 "[ . 1 . 2]" 1
620 1 50 SER H 1 86 ASP QB . . 3.690 2.905 1.815 3.634 . 0 0 "[ . 1 . 2]" 1
621 1 50 SER HA 1 51 TRP H . . 3.020 2.481 2.214 2.633 . 0 0 "[ . 1 . 2]" 1
622 1 50 SER HA 1 51 TRP HE3 . . 3.900 3.075 2.245 3.775 . 0 0 "[ . 1 . 2]" 1
623 1 50 SER HB2 1 86 ASP QB . . 4.680 3.448 2.444 4.507 . 0 0 "[ . 1 . 2]" 1
624 1 50 SER HB3 1 51 TRP H . . 3.320 2.760 2.256 3.814 0.494 18 0 "[ . 1 . 2]" 1
625 1 50 SER HB3 1 86 ASP QB . . 4.870 4.471 3.537 4.944 0.074 10 0 "[ . 1 . 2]" 1
626 1 51 TRP H 1 86 ASP QB . . 5.500 4.996 4.390 5.312 . 0 0 "[ . 1 . 2]" 1
627 1 51 TRP HA 1 51 TRP HE3 . . 4.710 4.471 4.252 4.762 0.052 17 0 "[ . 1 . 2]" 1
628 1 51 TRP HA 1 52 ASN H . . 3.460 2.473 2.169 2.810 . 0 0 "[ . 1 . 2]" 1
629 1 51 TRP HA 1 52 ASN QD . . 5.500 4.814 3.397 5.384 . 0 0 "[ . 1 . 2]" 1
630 1 51 TRP HA 1 85 GLN HA . . 3.440 2.396 2.021 3.307 . 0 0 "[ . 1 . 2]" 1
631 1 51 TRP HA 1 86 ASP H . . 3.560 3.125 2.785 3.419 . 0 0 "[ . 1 . 2]" 1
632 1 51 TRP HA 1 86 ASP QB . . 4.350 4.146 3.771 4.400 0.050 17 0 "[ . 1 . 2]" 1
633 1 51 TRP QB 1 52 ASN H . . 3.590 2.304 1.930 2.664 . 0 0 "[ . 1 . 2]" 1
634 1 51 TRP QB 1 83 LEU HB3 . . 5.160 3.984 3.246 5.128 . 0 0 "[ . 1 . 2]" 1
635 1 51 TRP QB 1 83 LEU MD2 . . 5.420 4.560 3.536 5.247 . 0 0 "[ . 1 . 2]" 1
636 1 51 TRP QB 1 84 LYS H . . 5.030 3.301 2.790 3.697 . 0 0 "[ . 1 . 2]" 1
637 1 51 TRP QB 1 85 GLN HA . . 4.070 2.280 2.074 2.582 . 0 0 "[ . 1 . 2]" 1
638 1 51 TRP QB 1 86 ASP H . . 4.390 3.792 3.191 4.074 . 0 0 "[ . 1 . 2]" 1
639 1 51 TRP HD1 1 52 ASN H . . 4.580 3.245 2.692 3.894 . 0 0 "[ . 1 . 2]" 1
640 1 51 TRP HD1 1 52 ASN HA . . 4.890 3.572 2.753 4.238 . 0 0 "[ . 1 . 2]" 1
641 1 51 TRP HD1 1 53 ALA MB . . 4.660 3.361 2.733 4.010 . 0 0 "[ . 1 . 2]" 1
642 1 51 TRP HD1 1 61 VAL QG . . 4.100 3.326 2.579 4.093 . 0 0 "[ . 1 . 2]" 1
643 1 51 TRP HD1 1 83 LEU MD2 . . 4.180 3.353 1.981 4.238 0.058 3 0 "[ . 1 . 2]" 1
644 1 51 TRP HE1 1 61 VAL QG . . 3.480 2.354 1.697 3.524 0.044 9 0 "[ . 1 . 2]" 1
645 1 51 TRP HE1 1 83 LEU MD2 . . 4.090 3.476 2.149 4.188 0.098 12 0 "[ . 1 . 2]" 1
646 1 52 ASN H 1 52 ASN QB . . 3.330 2.834 2.412 3.222 . 0 0 "[ . 1 . 2]" 1
647 1 52 ASN H 1 52 ASN QD . . 5.200 3.888 2.204 4.784 . 0 0 "[ . 1 . 2]" 1
648 1 52 ASN H 1 84 LYS H . . 4.370 2.912 2.469 4.213 . 0 0 "[ . 1 . 2]" 1
649 1 52 ASN H 1 84 LYS HB3 . . 4.680 4.394 4.038 4.751 0.071 12 0 "[ . 1 . 2]" 1
650 1 52 ASN HA 1 53 ALA H . . 2.760 2.473 2.199 2.762 0.002 7 0 "[ . 1 . 2]" 1
651 1 52 ASN HA 1 53 ALA MB . . 4.290 3.910 3.548 4.206 . 0 0 "[ . 1 . 2]" 1
652 1 52 ASN QB 1 53 ALA H . . 2.940 2.655 2.262 3.021 0.081 10 0 "[ . 1 . 2]" 1
653 1 52 ASN QB 1 53 ALA HA . . 4.570 4.212 3.650 4.648 0.078 1 0 "[ . 1 . 2]" 1
654 1 52 ASN QD 1 53 ALA H . . 5.500 4.092 3.051 4.898 . 0 0 "[ . 1 . 2]" 1
655 1 53 ALA H 1 53 ALA MB . . 3.190 2.622 2.320 2.969 . 0 0 "[ . 1 . 2]" 1
656 1 53 ALA HA 1 54 SER H . . 2.780 2.400 2.297 2.557 . 0 0 "[ . 1 . 2]" 1
657 1 53 ALA HA 1 54 SER HA . . 5.120 4.576 4.427 4.698 . 0 0 "[ . 1 . 2]" 1
658 1 53 ALA HA 1 81 VAL QG . . 3.990 3.758 3.075 4.026 0.036 5 0 "[ . 1 . 2]" 1
659 1 53 ALA HA 1 83 LEU HA . . 3.160 2.256 1.992 2.910 . 0 0 "[ . 1 . 2]" 1
660 1 53 ALA HA 1 83 LEU MD2 . . 4.070 3.843 3.070 4.163 0.093 1 0 "[ . 1 . 2]" 1
661 1 53 ALA HA 1 84 LYS H . . 4.510 3.994 3.722 4.576 0.066 6 0 "[ . 1 . 2]" 1
662 1 53 ALA MB 1 54 SER H . . 3.500 2.588 2.170 2.997 . 0 0 "[ . 1 . 2]" 1
663 1 53 ALA MB 1 61 VAL H . . 4.940 4.320 3.150 5.032 0.092 14 0 "[ . 1 . 2]" 1
664 1 53 ALA MB 1 61 VAL HB . . 3.120 2.618 2.054 3.219 0.099 3 0 "[ . 1 . 2]" 1
665 1 53 ALA MB 1 61 VAL QG . . 3.050 2.030 1.781 2.940 . 0 0 "[ . 1 . 2]" 1
666 1 53 ALA MB 1 83 LEU MD2 . . 3.400 2.635 2.049 3.527 0.127 6 0 "[ . 1 . 2]" 1
667 1 54 SER H 1 55 GLY H . . 4.340 4.218 3.970 4.352 0.012 15 0 "[ . 1 . 2]" 1
668 1 54 SER H 1 81 VAL HB . . 4.640 3.661 2.411 4.731 0.091 15 0 "[ . 1 . 2]" 1
669 1 54 SER H 1 81 VAL QG . . 3.660 2.776 1.748 3.467 . 0 0 "[ . 1 . 2]" 1
670 1 54 SER H 1 82 THR H . . 3.820 2.991 2.462 3.728 . 0 0 "[ . 1 . 2]" 1
671 1 54 SER H 1 82 THR HB . . 4.830 4.282 3.816 4.881 0.051 14 0 "[ . 1 . 2]" 1
672 1 54 SER H 1 83 LEU HA . . 4.370 3.936 3.550 4.440 0.070 3 0 "[ . 1 . 2]" 1
673 1 54 SER H 1 83 LEU MD2 . . 4.960 4.870 3.910 5.109 0.149 18 0 "[ . 1 . 2]" 1
674 1 54 SER HA 1 54 SER HB2 . . 2.950 2.698 2.495 3.026 0.076 14 0 "[ . 1 . 2]" 1
675 1 54 SER HA 1 54 SER HB3 . . 2.920 2.410 2.247 2.971 0.051 18 0 "[ . 1 . 2]" 1
676 1 54 SER HA 1 55 GLY H . . 2.730 2.272 2.170 2.501 . 0 0 "[ . 1 . 2]" 1
677 1 54 SER HA 1 55 GLY QA . . 4.370 3.964 3.784 4.019 . 0 0 "[ . 1 . 2]" 1
678 1 54 SER HB3 1 55 GLY H . . 3.210 3.586 2.974 4.153 0.943 5 9 "[ * + *1 * -** **]" 1
679 1 55 GLY H 1 56 ASP H . . 5.500 3.691 2.660 4.233 . 0 0 "[ . 1 . 2]" 1
680 1 55 GLY H 1 81 VAL QG . . 5.500 3.272 2.788 4.137 . 0 0 "[ . 1 . 2]" 1
681 1 55 GLY QA 1 56 ASP H . . 3.430 2.227 2.106 2.619 . 0 0 "[ . 1 . 2]" 1
682 1 55 GLY QA 1 81 VAL QG . . 4.470 2.277 2.063 2.580 . 0 0 "[ . 1 . 2]" 1
683 1 55 GLY QA 1 82 THR H . . 4.330 3.603 3.247 4.236 . 0 0 "[ . 1 . 2]" 1
684 1 56 ASP H 1 56 ASP HB2 . . 3.550 2.288 2.099 2.618 . 0 0 "[ . 1 . 2]" 1
685 1 56 ASP H 1 56 ASP HB3 . . 3.870 3.441 2.906 3.615 . 0 0 "[ . 1 . 2]" 1
686 1 56 ASP H 1 57 SER H . . 5.320 4.516 2.568 4.720 . 0 0 "[ . 1 . 2]" 1
687 1 56 ASP H 1 59 ILE MD . . 5.500 3.404 2.975 4.069 . 0 0 "[ . 1 . 2]" 1
688 1 56 ASP H 1 80 LEU H . . 5.200 4.001 3.282 5.020 . 0 0 "[ . 1 . 2]" 1
689 1 56 ASP H 1 81 VAL QG . . 4.120 2.079 1.687 3.733 . 0 0 "[ . 1 . 2]" 1
690 1 56 ASP HA 1 57 SER H . . 2.840 2.372 2.162 2.919 0.079 2 0 "[ . 1 . 2]" 1
691 1 56 ASP HA 1 58 TRP H . . 5.020 4.238 3.932 4.663 . 0 0 "[ . 1 . 2]" 1
692 1 56 ASP HA 1 58 TRP HE1 . . 5.500 4.314 3.773 5.139 . 0 0 "[ . 1 . 2]" 1
693 1 56 ASP HB2 1 57 SER H . . 4.480 4.010 3.562 4.456 . 0 0 "[ . 1 . 2]" 1
694 1 56 ASP HB2 1 58 TRP H . . 4.520 3.786 3.158 4.598 0.078 2 0 "[ . 1 . 2]" 1
695 1 56 ASP HB2 1 58 TRP HE1 . . 4.260 3.857 3.062 4.302 0.042 16 0 "[ . 1 . 2]" 1
696 1 56 ASP HB2 1 59 ILE MD . . 4.490 2.229 1.987 3.628 . 0 0 "[ . 1 . 2]" 1
697 1 56 ASP HB2 1 80 LEU H . . 4.330 3.556 2.748 4.245 . 0 0 "[ . 1 . 2]" 1
698 1 56 ASP HB3 1 57 SER H . . 4.080 2.877 2.278 3.925 . 0 0 "[ . 1 . 2]" 1
699 1 56 ASP HB3 1 58 TRP H . . 4.400 2.734 2.235 3.606 . 0 0 "[ . 1 . 2]" 1
700 1 56 ASP HB3 1 58 TRP HD1 . . 3.230 3.041 2.226 3.300 0.070 15 0 "[ . 1 . 2]" 1
701 1 56 ASP HB3 1 58 TRP HE1 . . 4.100 2.602 2.240 3.297 . 0 0 "[ . 1 . 2]" 1
702 1 56 ASP HB3 1 59 ILE MD . . 5.030 3.133 2.368 3.930 . 0 0 "[ . 1 . 2]" 1
703 1 56 ASP HB3 1 80 LEU H . . 4.800 4.602 3.991 4.868 0.068 12 0 "[ . 1 . 2]" 1
704 1 57 SER H 1 57 SER HB2 . . 3.950 2.656 2.095 3.824 . 0 0 "[ . 1 . 2]" 1
705 1 57 SER H 1 57 SER HB3 . . 4.140 3.443 2.563 4.081 . 0 0 "[ . 1 . 2]" 1
706 1 57 SER H 1 58 TRP H . . 3.790 2.809 2.420 3.185 . 0 0 "[ . 1 . 2]" 1
707 1 57 SER H 1 58 TRP HD1 . . 3.750 2.988 2.369 3.841 0.091 2 0 "[ . 1 . 2]" 1
708 1 57 SER H 1 58 TRP HE1 . . 5.500 4.107 3.533 5.421 . 0 0 "[ . 1 . 2]" 1
709 1 57 SER HA 1 59 ILE H . . 4.360 3.921 3.431 4.410 0.050 14 0 "[ . 1 . 2]" 1
710 1 58 TRP H 1 58 TRP HB3 . . 3.860 3.108 2.593 3.420 . 0 0 "[ . 1 . 2]" 1
711 1 58 TRP H 1 58 TRP HD1 . . 2.520 2.461 2.009 2.599 0.079 13 0 "[ . 1 . 2]" 1
712 1 58 TRP H 1 58 TRP HE1 . . 5.170 4.060 3.812 4.286 . 0 0 "[ . 1 . 2]" 1
713 1 58 TRP H 1 59 ILE MD . . 5.500 4.251 3.837 4.826 . 0 0 "[ . 1 . 2]" 1
714 1 58 TRP HA 1 59 ILE HG13 . . 4.620 4.571 4.408 4.697 0.077 9 0 "[ . 1 . 2]" 1
715 1 58 TRP HB2 1 58 TRP HE3 . . 3.280 2.651 2.548 2.739 . 0 0 "[ . 1 . 2]" 1
716 1 58 TRP HB2 1 69 ASP H . . 4.080 2.924 2.498 3.200 . 0 0 "[ . 1 . 2]" 1
717 1 58 TRP HB2 1 69 ASP HB2 . . 3.750 2.931 2.290 3.493 . 0 0 "[ . 1 . 2]" 1
718 1 58 TRP HB2 1 69 ASP HB3 . . 4.420 3.462 2.081 4.497 0.077 12 0 "[ . 1 . 2]" 1
719 1 58 TRP HB3 1 58 TRP HD1 . . 3.090 2.717 2.621 2.875 . 0 0 "[ . 1 . 2]" 1
720 1 58 TRP HB3 1 58 TRP HE1 . . 4.830 4.820 4.759 4.879 0.049 3 0 "[ . 1 . 2]" 1
721 1 58 TRP HB3 1 59 ILE H . . 5.420 4.650 4.573 4.732 . 0 0 "[ . 1 . 2]" 1
722 1 58 TRP HB3 1 69 ASP H . . 4.830 4.590 4.115 4.896 0.066 2 0 "[ . 1 . 2]" 1
723 1 58 TRP HB3 1 69 ASP HB2 . . 4.200 4.063 3.489 4.280 0.080 14 0 "[ . 1 . 2]" 1
724 1 58 TRP HD1 1 59 ILE H . . 5.500 4.928 4.203 5.360 . 0 0 "[ . 1 . 2]" 1
725 1 58 TRP HE1 1 59 ILE MD . . 5.500 4.092 2.876 4.571 . 0 0 "[ . 1 . 2]" 1
726 1 58 TRP HE1 1 79 GLY HA2 . . 4.970 4.000 3.469 4.534 . 0 0 "[ . 1 . 2]" 1
727 1 58 TRP HE1 1 79 GLY HA3 . . 5.080 4.449 3.837 5.136 0.056 18 0 "[ . 1 . 2]" 1
728 1 58 TRP HE3 1 59 ILE HA . . 5.130 4.302 4.064 4.706 . 0 0 "[ . 1 . 2]" 1
729 1 58 TRP HE3 1 59 ILE HG12 . . 3.740 3.203 2.845 3.585 . 0 0 "[ . 1 . 2]" 1
730 1 58 TRP HE3 1 59 ILE HG13 . . 4.940 3.425 2.982 3.910 . 0 0 "[ . 1 . 2]" 1
731 1 58 TRP HE3 1 68 TYR HA . . 3.800 3.660 3.143 3.878 0.078 2 0 "[ . 1 . 2]" 1
732 1 58 TRP HE3 1 68 TYR QB . . 3.130 2.573 2.255 2.917 . 0 0 "[ . 1 . 2]" 1
733 1 58 TRP HE3 1 69 ASP H . . 3.280 2.589 2.105 3.334 0.054 16 0 "[ . 1 . 2]" 1
734 1 58 TRP HH2 1 59 ILE MD . . 3.900 3.518 2.940 3.954 0.054 2 0 "[ . 1 . 2]" 1
735 1 58 TRP HH2 1 79 GLY H . . 3.550 2.610 1.944 3.560 0.010 2 0 "[ . 1 . 2]" 1
736 1 58 TRP HH2 1 79 GLY HA2 . . 4.770 4.082 3.588 4.554 . 0 0 "[ . 1 . 2]" 1
737 1 58 TRP HH2 1 79 GLY HA3 . . 4.060 3.006 2.617 3.391 . 0 0 "[ . 1 . 2]" 1
738 1 58 TRP HH2 1 96 ILE HB . . 2.960 2.392 2.162 2.668 . 0 0 "[ . 1 . 2]" 1
739 1 58 TRP HH2 1 96 ILE MG . . 3.220 3.172 2.591 3.307 0.087 4 0 "[ . 1 . 2]" 1
740 1 58 TRP HZ2 1 59 ILE MD . . 3.740 3.497 3.059 3.820 0.080 16 0 "[ . 1 . 2]" 1
741 1 58 TRP HZ2 1 79 GLY H . . 3.240 3.138 2.691 3.307 0.067 2 0 "[ . 1 . 2]" 1
742 1 58 TRP HZ2 1 79 GLY HA2 . . 2.860 2.613 2.298 2.910 0.050 4 0 "[ . 1 . 2]" 1
743 1 58 TRP HZ2 1 79 GLY HA3 . . 3.130 2.593 2.241 3.084 . 0 0 "[ . 1 . 2]" 1
744 1 58 TRP HZ2 1 80 LEU H . . 4.810 4.697 4.167 4.884 0.074 20 0 "[ . 1 . 2]" 1
745 1 58 TRP HZ3 1 59 ILE HG13 . . 5.500 4.475 4.030 5.059 . 0 0 "[ . 1 . 2]" 1
746 1 58 TRP HZ3 1 68 TYR QB . . 3.710 2.718 2.378 3.250 . 0 0 "[ . 1 . 2]" 1
747 1 58 TRP HZ3 1 96 ILE HB . . 3.440 3.076 2.560 3.514 0.074 12 0 "[ . 1 . 2]" 1
748 1 58 TRP HZ3 1 96 ILE MD . . 3.620 2.630 2.243 3.396 . 0 0 "[ . 1 . 2]" 1
749 1 58 TRP HZ3 1 96 ILE MG . . 3.070 2.576 2.181 3.138 0.068 18 0 "[ . 1 . 2]" 1
750 1 59 ILE H 1 59 ILE HB . . 3.390 2.717 2.539 2.908 . 0 0 "[ . 1 . 2]" 1
751 1 59 ILE H 1 59 ILE MD . . 4.600 4.190 3.923 4.540 . 0 0 "[ . 1 . 2]" 1
752 1 59 ILE H 1 59 ILE HG12 . . 4.650 4.048 3.730 4.398 . 0 0 "[ . 1 . 2]" 1
753 1 59 ILE H 1 59 ILE HG13 . . 4.020 3.019 2.618 3.369 . 0 0 "[ . 1 . 2]" 1
754 1 59 ILE H 1 60 HIS H . . 5.180 4.013 3.439 4.376 . 0 0 "[ . 1 . 2]" 1
755 1 59 ILE H 1 81 VAL QG . . 5.020 4.305 3.892 4.843 . 0 0 "[ . 1 . 2]" 1
756 1 59 ILE HA 1 59 ILE MG . . 3.340 2.396 2.252 2.551 . 0 0 "[ . 1 . 2]" 1
757 1 59 ILE HA 1 60 HIS H . . 3.070 2.192 2.125 2.254 . 0 0 "[ . 1 . 2]" 1
758 1 59 ILE HA 1 68 TYR HA . . 3.490 2.422 2.239 2.757 . 0 0 "[ . 1 . 2]" 1
759 1 59 ILE HA 1 68 TYR QB . . 4.960 3.018 2.156 3.739 . 0 0 "[ . 1 . 2]" 1
760 1 59 ILE HA 1 69 ASP H . . 4.300 3.836 3.260 4.342 0.042 17 0 "[ . 1 . 2]" 1
761 1 59 ILE HA 1 96 ILE MD . . 4.720 4.308 3.955 4.804 0.084 1 0 "[ . 1 . 2]" 1
762 1 59 ILE HB 1 59 ILE MD . . 3.750 2.448 2.284 2.583 . 0 0 "[ . 1 . 2]" 1
763 1 59 ILE HB 1 60 HIS H . . 4.620 4.331 3.889 4.564 . 0 0 "[ . 1 . 2]" 1
764 1 59 ILE MD 1 59 ILE MG . . 3.370 2.080 2.050 2.118 . 0 0 "[ . 1 . 2]" 1
765 1 59 ILE MD 1 60 HIS H . . 5.500 5.364 4.980 5.583 0.083 16 0 "[ . 1 . 2]" 1
766 1 59 ILE MD 1 79 GLY H . . 5.340 4.033 3.363 4.636 . 0 0 "[ . 1 . 2]" 1
767 1 59 ILE MD 1 79 GLY HA2 . . 3.530 3.382 2.592 3.901 0.371 14 0 "[ . 1 . 2]" 1
768 1 59 ILE MD 1 79 GLY HA3 . . 3.890 2.286 1.944 2.813 . 0 0 "[ . 1 . 2]" 1
769 1 59 ILE MD 1 80 LEU H . . 4.630 3.138 2.893 3.694 . 0 0 "[ . 1 . 2]" 1
770 1 59 ILE MD 1 80 LEU HA . . 4.850 4.081 3.423 4.558 . 0 0 "[ . 1 . 2]" 1
771 1 59 ILE MD 1 81 VAL HB . . 4.860 4.206 2.826 4.950 0.090 18 0 "[ . 1 . 2]" 1
772 1 59 ILE MD 1 81 VAL QG . . 3.280 2.047 1.894 2.259 . 0 0 "[ . 1 . 2]" 1
773 1 59 ILE MD 1 94 LEU QD . . 5.500 3.012 2.301 3.506 . 0 0 "[ . 1 . 2]" 1
774 1 59 ILE MD 1 95 LYS HA . . 5.500 4.789 4.177 5.429 . 0 0 "[ . 1 . 2]" 1
775 1 59 ILE MD 1 96 ILE H . . 4.990 4.264 3.853 4.778 . 0 0 "[ . 1 . 2]" 1
776 1 59 ILE MD 1 96 ILE HB . . 4.140 3.762 3.577 4.040 . 0 0 "[ . 1 . 2]" 1
777 1 59 ILE MD 1 96 ILE MD . . 3.810 2.003 1.917 2.144 . 0 0 "[ . 1 . 2]" 1
778 1 59 ILE MD 1 96 ILE HG12 . . 5.020 4.358 4.015 4.698 . 0 0 "[ . 1 . 2]" 1
779 1 59 ILE MD 1 96 ILE HG13 . . 4.790 4.193 3.431 4.612 . 0 0 "[ . 1 . 2]" 1
780 1 59 ILE MD 1 96 ILE MG . . 5.260 4.509 4.186 4.896 . 0 0 "[ . 1 . 2]" 1
781 1 59 ILE HG12 1 59 ILE MG . . 3.510 2.475 2.398 2.662 . 0 0 "[ . 1 . 2]" 1
782 1 59 ILE HG12 1 60 HIS H . . 5.310 4.622 4.248 4.889 . 0 0 "[ . 1 . 2]" 1
783 1 59 ILE HG12 1 68 TYR QB . . 5.310 2.484 2.108 3.011 . 0 0 "[ . 1 . 2]" 1
784 1 59 ILE MG 1 60 HIS H . . 3.470 3.030 2.367 3.571 0.101 15 0 "[ . 1 . 2]" 1
785 1 59 ILE MG 1 67 SER H . . 4.880 4.089 3.461 4.982 0.102 3 0 "[ . 1 . 2]" 1
786 1 59 ILE MG 1 68 TYR HA . . 4.570 3.835 3.251 4.295 . 0 0 "[ . 1 . 2]" 1
787 1 59 ILE MG 1 68 TYR QB . . 4.820 3.130 2.118 4.106 . 0 0 "[ . 1 . 2]" 1
788 1 59 ILE MG 1 81 VAL HB . . 5.170 3.831 2.222 4.730 . 0 0 "[ . 1 . 2]" 1
789 1 59 ILE MG 1 81 VAL QG . . 2.870 2.116 1.846 2.485 . 0 0 "[ . 1 . 2]" 1
790 1 59 ILE MG 1 94 LEU HG . . 5.300 4.082 2.825 5.378 0.078 10 0 "[ . 1 . 2]" 1
791 1 59 ILE MG 1 96 ILE MD . . 2.920 2.741 2.296 3.029 0.109 19 0 "[ . 1 . 2]" 1
792 1 59 ILE MG 1 96 ILE HG13 . . 5.270 4.909 4.178 5.311 0.041 5 0 "[ . 1 . 2]" 1
793 1 60 HIS H 1 60 HIS HB2 . . 3.790 2.549 2.179 2.847 . 0 0 "[ . 1 . 2]" 1
794 1 60 HIS H 1 60 HIS HB3 . . 3.840 3.696 3.482 3.878 0.038 18 0 "[ . 1 . 2]" 1
795 1 60 HIS H 1 60 HIS HD2 . . 3.410 2.962 2.390 3.473 0.063 14 0 "[ . 1 . 2]" 1
796 1 60 HIS H 1 61 VAL QG . . 5.480 4.513 3.435 5.258 . 0 0 "[ . 1 . 2]" 1
797 1 60 HIS H 1 67 SER H . . 4.140 3.240 2.758 4.191 0.051 15 0 "[ . 1 . 2]" 1
798 1 60 HIS H 1 68 TYR HA . . 3.830 3.308 2.866 3.614 . 0 0 "[ . 1 . 2]" 1
799 1 60 HIS HA 1 60 HIS HD2 . . 4.450 4.244 3.587 4.539 0.089 16 0 "[ . 1 . 2]" 1
800 1 60 HIS HA 1 61 VAL H . . 2.760 2.300 2.123 2.587 . 0 0 "[ . 1 . 2]" 1
801 1 60 HIS HA 1 61 VAL QG . . 4.750 3.610 3.200 3.910 . 0 0 "[ . 1 . 2]" 1
802 1 60 HIS HB2 1 60 HIS HD2 . . 3.050 2.737 2.463 3.098 0.048 6 0 "[ . 1 . 2]" 1
803 1 60 HIS HB2 1 61 VAL H . . 5.150 3.983 3.467 4.443 . 0 0 "[ . 1 . 2]" 1
804 1 60 HIS HB2 1 67 SER H . . 4.500 3.378 2.285 4.545 0.045 18 0 "[ . 1 . 2]" 1
805 1 60 HIS HB2 1 67 SER QB . . 4.150 2.285 2.003 3.064 . 0 0 "[ . 1 . 2]" 1
806 1 60 HIS HB3 1 61 VAL H . . 4.520 3.032 2.402 3.682 . 0 0 "[ . 1 . 2]" 1
807 1 60 HIS HB3 1 67 SER QB . . 4.610 3.765 3.350 4.637 0.027 18 0 "[ . 1 . 2]" 1
808 1 60 HIS HD1 1 61 VAL H . . 4.670 4.556 3.703 4.754 0.084 7 0 "[ . 1 . 2]" 1
809 1 60 HIS HD2 1 67 SER QB . . 3.500 2.979 2.110 3.508 0.008 10 0 "[ . 1 . 2]" 1
810 1 60 HIS HD2 1 69 ASP H . . 4.490 4.333 3.540 4.569 0.079 15 0 "[ . 1 . 2]" 1
811 1 61 VAL H 1 61 VAL HB . . 3.230 3.012 2.602 3.314 0.084 16 0 "[ . 1 . 2]" 1
812 1 61 VAL H 1 61 VAL QG . . 3.310 2.591 1.846 3.062 . 0 0 "[ . 1 . 2]" 1
813 1 61 VAL HA 1 61 VAL QG . . 3.110 2.197 2.105 2.313 . 0 0 "[ . 1 . 2]" 1
814 1 61 VAL HA 1 62 ASN H . . 2.840 2.241 2.087 2.370 . 0 0 "[ . 1 . 2]" 1
815 1 61 VAL HA 1 66 VAL HA . . 3.440 2.648 2.246 3.191 . 0 0 "[ . 1 . 2]" 1
816 1 61 VAL HA 1 66 VAL QG . . 4.180 3.639 2.594 4.139 . 0 0 "[ . 1 . 2]" 1
817 1 61 VAL HA 1 67 SER H . . 4.130 3.774 3.419 4.135 0.005 14 0 "[ . 1 . 2]" 1
818 1 61 VAL HB 1 62 ASN H . . 5.260 4.237 3.804 4.602 . 0 0 "[ . 1 . 2]" 1
819 1 61 VAL QG 1 62 ASN H . . 3.340 2.715 2.244 3.320 . 0 0 "[ . 1 . 2]" 1
820 1 61 VAL QG 1 62 ASN HB2 . . 5.270 4.600 4.246 5.032 . 0 0 "[ . 1 . 2]" 1
821 1 61 VAL QG 1 63 GLY H . . 5.100 3.575 2.192 5.080 . 0 0 "[ . 1 . 2]" 1
822 1 61 VAL QG 1 63 GLY HA2 . . 5.350 3.937 3.016 4.797 . 0 0 "[ . 1 . 2]" 1
823 1 61 VAL QG 1 65 SER H . . 5.500 4.129 3.531 4.947 . 0 0 "[ . 1 . 2]" 1
824 1 61 VAL QG 1 66 VAL HA . . 4.300 3.321 2.467 4.250 . 0 0 "[ . 1 . 2]" 1
825 1 62 ASN H 1 62 ASN HB2 . . 3.380 2.651 2.327 2.948 . 0 0 "[ . 1 . 2]" 1
826 1 62 ASN H 1 62 ASN HB3 . . 3.440 3.258 2.598 3.521 0.081 5 0 "[ . 1 . 2]" 1
827 1 62 ASN H 1 62 ASN HD21 . . 5.500 4.067 3.464 4.463 . 0 0 "[ . 1 . 2]" 1
828 1 62 ASN H 1 62 ASN HD22 . . 5.500 5.465 4.757 5.594 0.094 13 0 "[ . 1 . 2]" 1
829 1 62 ASN H 1 65 SER H . . 5.100 3.326 2.805 3.951 . 0 0 "[ . 1 . 2]" 1
830 1 62 ASN H 1 65 SER QB . . 4.860 3.366 2.808 4.396 . 0 0 "[ . 1 . 2]" 1
831 1 62 ASN H 1 66 VAL HA . . 4.380 3.591 3.029 4.023 . 0 0 "[ . 1 . 2]" 1
832 1 62 ASN HA 1 63 GLY H . . 2.800 2.470 2.254 2.705 . 0 0 "[ . 1 . 2]" 1
833 1 62 ASN HA 1 63 GLY HA2 . . 4.600 4.441 4.090 4.662 0.062 9 0 "[ . 1 . 2]" 1
834 1 62 ASN HB2 1 62 ASN HD22 . . 3.880 3.660 3.448 4.084 0.204 7 0 "[ . 1 . 2]" 1
835 1 62 ASN HB2 1 63 GLY H . . 5.370 4.391 3.813 4.768 . 0 0 "[ . 1 . 2]" 1
836 1 62 ASN HB2 1 65 SER QB . . 3.820 2.741 2.220 3.677 . 0 0 "[ . 1 . 2]" 1
837 1 62 ASN HB3 1 62 ASN HD22 . . 3.990 4.087 3.634 4.176 0.186 11 0 "[ . 1 . 2]" 1
838 1 62 ASN HB3 1 65 SER H . . 5.500 3.637 2.054 4.843 . 0 0 "[ . 1 . 2]" 1
839 1 62 ASN HB3 1 65 SER QB . . 3.630 2.525 2.143 3.213 . 0 0 "[ . 1 . 2]" 1
840 1 63 GLY H 1 64 SER H . . 4.910 3.903 2.830 4.589 . 0 0 "[ . 1 . 2]" 1
841 1 63 GLY HA2 1 65 SER H . . 4.910 4.517 4.223 4.969 0.059 18 0 "[ . 1 . 2]" 1
842 1 64 SER QB 1 65 SER H . . 4.710 3.838 3.175 4.123 . 0 0 "[ . 1 . 2]" 1
843 1 65 SER H 1 65 SER QB . . 3.020 2.686 2.209 2.965 . 0 0 "[ . 1 . 2]" 1
844 1 65 SER H 1 66 VAL H . . 5.500 4.418 4.173 4.656 . 0 0 "[ . 1 . 2]" 1
845 1 65 SER H 1 66 VAL QG . . 5.500 4.550 3.515 5.337 . 0 0 "[ . 1 . 2]" 1
846 1 65 SER HA 1 66 VAL H . . 2.800 2.353 2.133 2.486 . 0 0 "[ . 1 . 2]" 1
847 1 65 SER HA 1 66 VAL QG . . 4.520 3.273 2.933 3.607 . 0 0 "[ . 1 . 2]" 1
848 1 65 SER QB 1 66 VAL H . . 4.500 2.977 2.484 3.652 . 0 0 "[ . 1 . 2]" 1
849 1 65 SER QB 1 66 VAL QG . . 5.500 4.242 3.960 4.587 . 0 0 "[ . 1 . 2]" 1
850 1 66 VAL H 1 66 VAL HB . . 3.680 3.115 2.535 3.698 0.018 3 0 "[ . 1 . 2]" 1
851 1 66 VAL H 1 66 VAL QG . . 3.570 2.333 1.887 2.593 . 0 0 "[ . 1 . 2]" 1
852 1 66 VAL HA 1 66 VAL QG . . 3.260 2.299 2.151 2.441 . 0 0 "[ . 1 . 2]" 1
853 1 66 VAL HA 1 67 SER H . . 2.730 2.345 2.247 2.480 . 0 0 "[ . 1 . 2]" 1
854 1 66 VAL QG 1 67 SER H . . 3.380 2.430 2.007 2.954 . 0 0 "[ . 1 . 2]" 1
855 1 66 VAL QG 1 67 SER HA . . 4.750 3.349 3.000 3.784 . 0 0 "[ . 1 . 2]" 1
856 1 66 VAL QG 1 68 TYR H . . 5.500 4.290 3.262 4.831 . 0 0 "[ . 1 . 2]" 1
857 1 66 VAL QG 1 68 TYR HA . . 5.500 5.040 4.440 5.401 . 0 0 "[ . 1 . 2]" 1
858 1 66 VAL QG 1 94 LEU QD . . 3.190 2.546 1.899 3.173 . 0 0 "[ . 1 . 2]" 1
859 1 66 VAL QG 1 94 LEU HG . . 5.500 4.324 2.727 5.383 . 0 0 "[ . 1 . 2]" 1
860 1 67 SER H 1 67 SER QB . . 3.610 2.989 2.714 3.380 . 0 0 "[ . 1 . 2]" 1
861 1 67 SER H 1 68 TYR H . . 4.760 4.199 3.604 4.371 . 0 0 "[ . 1 . 2]" 1
862 1 67 SER HA 1 68 TYR H . . 2.890 2.300 2.056 2.509 . 0 0 "[ . 1 . 2]" 1
863 1 68 TYR HA 1 68 TYR QD . . 4.110 3.309 2.342 3.786 . 0 0 "[ . 1 . 2]" 1
864 1 68 TYR HA 1 69 ASP H . . 3.030 2.277 2.111 2.585 . 0 0 "[ . 1 . 2]" 1
865 1 68 TYR QB 1 69 ASP H . . 4.130 2.843 2.240 3.529 . 0 0 "[ . 1 . 2]" 1
866 1 68 TYR QB 1 96 ILE MD . . 3.980 2.611 2.231 3.114 . 0 0 "[ . 1 . 2]" 1
867 1 68 TYR QD 1 94 LEU QD . . 3.350 2.846 2.213 3.417 0.067 1 0 "[ . 1 . 2]" 1
868 1 68 TYR QD 1 96 ILE MD . . 2.790 2.478 2.052 2.887 0.097 5 0 "[ . 1 . 2]" 1
869 1 68 TYR QD 1 96 ILE HG13 . . 4.840 4.102 3.415 4.635 . 0 0 "[ . 1 . 2]" 1
870 1 68 TYR QE 1 94 LEU QD . . 2.400 2.198 1.869 2.470 0.070 6 0 "[ . 1 . 2]" 1
871 1 69 ASP H 1 69 ASP HB2 . . 3.410 2.411 2.107 3.082 . 0 0 "[ . 1 . 2]" 1
872 1 69 ASP H 1 69 ASP HB3 . . 4.110 3.347 2.664 3.797 . 0 0 "[ . 1 . 2]" 1
873 1 69 ASP HA 1 70 GLU H . . 3.140 2.465 2.150 2.786 . 0 0 "[ . 1 . 2]" 1
874 1 69 ASP HA 1 70 GLU QB . . 4.490 4.189 3.828 4.405 . 0 0 "[ . 1 . 2]" 1
875 1 69 ASP HB2 1 70 GLU H . . 4.300 3.863 3.057 4.360 0.060 5 0 "[ . 1 . 2]" 1
876 1 69 ASP HB3 1 70 GLU H . . 3.350 2.719 1.962 3.426 0.076 12 0 "[ . 1 . 2]" 1
877 1 70 GLU H 1 70 GLU QB . . 3.240 2.270 2.050 2.605 . 0 0 "[ . 1 . 2]" 1
878 1 70 GLU H 1 70 GLU HG3 . . 4.910 3.800 2.988 4.961 0.051 3 0 "[ . 1 . 2]" 1
879 1 70 GLU HA 1 70 GLU HG2 . . 3.310 2.620 2.131 3.662 0.352 12 0 "[ . 1 . 2]" 1
880 1 70 GLU HA 1 70 GLU HG3 . . 3.750 2.541 2.100 3.414 . 0 0 "[ . 1 . 2]" 1
881 1 70 GLU HA 1 71 ASN H . . 2.960 2.451 2.168 2.924 . 0 0 "[ . 1 . 2]" 1
882 1 70 GLU HA 1 71 ASN HB3 . . 4.700 4.401 3.750 5.188 0.488 1 0 "[ . 1 . 2]" 1
883 1 70 GLU HA 1 98 GLN HE21 . . 4.350 3.424 2.687 4.426 0.076 6 0 "[ . 1 . 2]" 1
884 1 70 GLU HA 1 98 GLN HE22 . . 3.820 2.767 2.059 3.907 0.087 9 0 "[ . 1 . 2]" 1
885 1 70 GLU HA 1 101 LYS QE . . 4.550 4.504 4.214 4.643 0.093 17 0 "[ . 1 . 2]" 1
886 1 70 GLU QB 1 71 ASN H . . 3.880 2.619 2.125 3.426 . 0 0 "[ . 1 . 2]" 1
887 1 70 GLU HG2 1 71 ASN H . . 4.090 2.737 1.744 4.210 0.120 12 0 "[ . 1 . 2]" 1
888 1 70 GLU HG2 1 101 LYS QE . . 5.160 3.540 2.139 4.509 . 0 0 "[ . 1 . 2]" 1
889 1 70 GLU HG3 1 71 ASN H . . 4.190 3.702 2.544 4.276 0.086 15 0 "[ . 1 . 2]" 1
890 1 70 GLU HG3 1 101 LYS QE . . 5.060 4.096 2.249 4.753 . 0 0 "[ . 1 . 2]" 1
891 1 71 ASN H 1 71 ASN HB2 . . 3.820 3.567 2.060 3.825 0.005 15 0 "[ . 1 . 2]" 1
892 1 71 ASN H 1 71 ASN HB3 . . 3.470 2.774 2.241 3.246 . 0 0 "[ . 1 . 2]" 1
893 1 71 ASN H 1 71 ASN HD21 . . 5.400 4.060 2.276 5.159 . 0 0 "[ . 1 . 2]" 1
894 1 71 ASN H 1 98 GLN HE21 . . 5.270 3.753 2.372 4.711 . 0 0 "[ . 1 . 2]" 1
895 1 71 ASN H 1 98 GLN HE22 . . 4.260 3.542 2.078 4.326 0.066 5 0 "[ . 1 . 2]" 1
896 1 71 ASN HA 1 72 PRO HD2 . . 3.290 2.639 2.387 2.981 . 0 0 "[ . 1 . 2]" 1
897 1 71 ASN HA 1 72 PRO HD3 . . 3.380 2.263 2.147 2.364 . 0 0 "[ . 1 . 2]" 1
898 1 71 ASN HA 1 72 PRO HG2 . . 4.470 4.690 4.524 4.882 0.412 9 0 "[ . 1 . 2]" 1
899 1 71 ASN HB3 1 72 PRO HD2 . . 4.820 3.603 3.305 3.904 . 0 0 "[ . 1 . 2]" 1
900 1 71 ASN HD21 1 73 ALA H . . 5.500 4.140 2.650 5.188 . 0 0 "[ . 1 . 2]" 1
901 1 71 ASN HD21 1 73 ALA MB . . 5.230 4.600 2.731 5.323 0.093 9 0 "[ . 1 . 2]" 1
902 1 71 ASN HD21 1 76 ARG HA . . 4.470 4.177 3.395 4.758 0.288 4 0 "[ . 1 . 2]" 1
903 1 71 ASN HD21 1 77 ARG H . . 4.790 4.128 2.938 5.298 0.508 4 1 "[ +. 1 . 2]" 1
904 1 71 ASN HD21 1 77 ARG HG2 . . 5.300 4.086 1.981 5.368 0.068 1 0 "[ . 1 . 2]" 1
905 1 71 ASN HD21 1 77 ARG HG3 . . 4.830 4.037 2.109 5.359 0.529 5 2 "[ + 1 . - 2]" 1
906 1 71 ASN HD21 1 100 GLY H . . 5.500 5.329 4.300 5.585 0.085 8 0 "[ . 1 . 2]" 1
907 1 71 ASN HD21 1 100 GLY HA2 . . 3.910 3.277 2.401 3.963 0.053 2 0 "[ . 1 . 2]" 1
908 1 71 ASN HD21 1 100 GLY HA3 . . 4.090 3.621 2.451 4.160 0.070 7 0 "[ . 1 . 2]" 1
909 1 71 ASN HD21 1 101 LYS H . . 4.950 4.382 2.669 5.022 0.072 9 0 "[ . 1 . 2]" 1
910 1 71 ASN HD22 1 73 ALA H . . 5.500 4.242 3.411 5.572 0.072 13 0 "[ . 1 . 2]" 1
911 1 71 ASN HD22 1 73 ALA MB . . 5.500 4.651 3.570 5.592 0.092 18 0 "[ . 1 . 2]" 1
912 1 71 ASN HD22 1 76 ARG HA . . 4.700 3.829 3.182 4.420 . 0 0 "[ . 1 . 2]" 1
913 1 71 ASN HD22 1 77 ARG H . . 5.500 4.365 3.572 5.080 . 0 0 "[ . 1 . 2]" 1
914 1 71 ASN HD22 1 100 GLY H . . 5.380 4.195 3.545 5.433 0.053 1 0 "[ . 1 . 2]" 1
915 1 71 ASN HD22 1 100 GLY HA2 . . 3.820 2.354 1.669 3.836 0.016 1 0 "[ . 1 . 2]" 1
916 1 71 ASN HD22 1 100 GLY HA3 . . 3.980 2.535 1.956 3.943 . 0 0 "[ . 1 . 2]" 1
917 1 71 ASN HD22 1 101 LYS H . . 4.720 3.631 2.235 4.799 0.079 1 0 "[ . 1 . 2]" 1
918 1 72 PRO HA 1 101 LYS QD . . 3.920 3.741 3.014 4.021 0.101 2 0 "[ . 1 . 2]" 1
919 1 72 PRO HA 1 101 LYS QE . . 4.130 3.819 2.102 4.214 0.084 4 0 "[ . 1 . 2]" 1
920 1 72 PRO HD2 1 73 ALA H . . 3.660 2.769 2.402 3.004 . 0 0 "[ . 1 . 2]" 1
921 1 72 PRO HD2 1 73 ALA MB . . 4.440 3.877 3.480 4.454 0.014 1 0 "[ . 1 . 2]" 1
922 1 72 PRO HD3 1 73 ALA H . . 4.530 3.953 3.723 4.102 . 0 0 "[ . 1 . 2]" 1
923 1 72 PRO HG2 1 73 ALA H . . 4.360 2.964 2.277 3.093 . 0 0 "[ . 1 . 2]" 1
924 1 72 PRO HG3 1 73 ALA H . . 4.400 4.372 3.828 4.468 0.068 17 0 "[ . 1 . 2]" 1
925 1 73 ALA H 1 73 ALA MB . . 3.410 2.521 2.267 2.776 . 0 0 "[ . 1 . 2]" 1
926 1 73 ALA H 1 74 LYS H . . 4.750 4.459 4.252 4.596 . 0 0 "[ . 1 . 2]" 1
927 1 73 ALA H 1 101 LYS H . . 5.180 3.927 3.212 4.694 . 0 0 "[ . 1 . 2]" 1
928 1 73 ALA HA 1 74 LYS H . . 2.820 2.440 2.255 2.646 . 0 0 "[ . 1 . 2]" 1
929 1 73 ALA HA 1 101 LYS H . . 5.010 4.613 4.000 5.065 0.055 18 0 "[ . 1 . 2]" 1
930 1 73 ALA MB 1 74 LYS H . . 2.840 2.466 2.019 2.917 0.077 14 0 "[ . 1 . 2]" 1
931 1 73 ALA MB 1 75 GLU H . . 3.370 2.781 2.178 3.140 . 0 0 "[ . 1 . 2]" 1
932 1 73 ALA MB 1 75 GLU QB . . 3.420 3.195 2.370 3.458 0.038 9 0 "[ . 1 . 2]" 1
933 1 73 ALA MB 1 101 LYS H . . 5.500 4.948 4.571 5.346 . 0 0 "[ . 1 . 2]" 1
934 1 73 ALA MB 1 102 THR MG . . 4.410 4.021 3.288 4.544 0.134 4 0 "[ . 1 . 2]" 1
935 1 74 LYS H 1 74 LYS HB3 . . 3.280 2.963 2.578 3.563 0.283 15 0 "[ . 1 . 2]" 1
936 1 74 LYS H 1 74 LYS QD . . 4.090 3.334 1.667 4.105 0.015 3 0 "[ . 1 . 2]" 1
937 1 74 LYS H 1 74 LYS QE . . 4.490 4.074 2.313 4.578 0.088 15 0 "[ . 1 . 2]" 1
938 1 74 LYS H 1 74 LYS QG . . 3.540 2.105 1.738 2.779 . 0 0 "[ . 1 . 2]" 1
939 1 74 LYS H 1 75 GLU H . . 3.170 2.841 2.361 3.246 0.076 17 0 "[ . 1 . 2]" 1
940 1 74 LYS H 1 75 GLU HA . . 4.940 5.022 4.996 5.038 0.098 9 0 "[ . 1 . 2]" 1
941 1 74 LYS HA 1 74 LYS QD . . 4.330 3.800 2.019 4.219 . 0 0 "[ . 1 . 2]" 1
942 1 74 LYS HA 1 74 LYS QG . . 3.530 3.266 2.468 3.418 . 0 0 "[ . 1 . 2]" 1
943 1 74 LYS HA 1 100 GLY HA2 . . 4.480 3.528 2.729 3.980 . 0 0 "[ . 1 . 2]" 1
944 1 74 LYS HA 1 100 GLY HA3 . . 3.870 2.220 1.980 2.768 . 0 0 "[ . 1 . 2]" 1
945 1 74 LYS HA 1 101 LYS H . . 3.000 2.999 2.747 3.086 0.086 9 0 "[ . 1 . 2]" 1
946 1 74 LYS HB2 1 74 LYS QE . . 4.530 3.936 3.347 4.392 . 0 0 "[ . 1 . 2]" 1
947 1 74 LYS QD 1 74 LYS QG . . 2.500 2.101 2.002 2.125 . 0 0 "[ . 1 . 2]" 1
948 1 74 LYS QD 1 75 GLU H . . 5.150 4.358 2.923 5.225 0.075 11 0 "[ . 1 . 2]" 1
949 1 74 LYS QE 1 74 LYS QG . . 3.050 2.168 1.979 2.434 . 0 0 "[ . 1 . 2]" 1
950 1 74 LYS QG 1 75 GLU H . . 4.570 3.863 3.268 4.455 . 0 0 "[ . 1 . 2]" 1
951 1 74 LYS QG 1 102 THR HB . . 5.130 4.528 3.861 5.025 . 0 0 "[ . 1 . 2]" 1
952 1 74 LYS QG 1 102 THR MG . . 3.030 2.420 2.003 3.028 . 0 0 "[ . 1 . 2]" 1
953 1 75 GLU H 1 75 GLU QB . . 3.100 2.410 2.187 2.766 . 0 0 "[ . 1 . 2]" 1
954 1 75 GLU H 1 75 GLU HG2 . . 4.170 3.632 2.026 4.169 . 0 0 "[ . 1 . 2]" 1
955 1 75 GLU H 1 75 GLU HG3 . . 4.070 2.955 2.242 3.757 . 0 0 "[ . 1 . 2]" 1
956 1 75 GLU H 1 76 ARG H . . 4.740 4.540 4.357 4.721 . 0 0 "[ . 1 . 2]" 1
957 1 75 GLU H 1 100 GLY HA2 . . 5.210 4.790 3.557 5.281 0.071 16 0 "[ . 1 . 2]" 1
958 1 75 GLU H 1 100 GLY HA3 . . 5.100 3.437 2.379 4.336 . 0 0 "[ . 1 . 2]" 1
959 1 75 GLU H 1 101 LYS H . . 5.230 4.852 4.070 5.272 0.042 16 0 "[ . 1 . 2]" 1
960 1 75 GLU HA 1 75 GLU HG2 . . 3.600 2.428 2.201 3.678 0.078 10 0 "[ . 1 . 2]" 1
961 1 75 GLU HA 1 75 GLU HG3 . . 3.660 3.189 2.788 3.720 0.060 10 0 "[ . 1 . 2]" 1
962 1 75 GLU HA 1 76 ARG H . . 2.580 2.452 2.179 2.658 0.078 20 0 "[ . 1 . 2]" 1
963 1 75 GLU QB 1 76 ARG H . . 3.690 2.459 2.015 2.820 . 0 0 "[ . 1 . 2]" 1
964 1 75 GLU HG2 1 76 ARG H . . 4.330 4.021 3.816 4.401 0.071 10 0 "[ . 1 . 2]" 1
965 1 75 GLU HG3 1 76 ARG H . . 4.850 4.817 3.339 4.931 0.081 14 0 "[ . 1 . 2]" 1
966 1 76 ARG H 1 76 ARG HB2 . . 3.180 2.500 2.050 3.178 . 0 0 "[ . 1 . 2]" 1
967 1 76 ARG H 1 76 ARG HB3 . . 3.130 2.868 2.536 3.208 0.078 2 0 "[ . 1 . 2]" 1
968 1 76 ARG H 1 76 ARG QD . . 5.500 4.837 4.370 5.196 . 0 0 "[ . 1 . 2]" 1
969 1 76 ARG H 1 76 ARG QG . . 3.940 3.911 3.387 4.036 0.096 9 0 "[ . 1 . 2]" 1
970 1 76 ARG H 1 77 ARG H . . 5.160 4.528 4.220 4.680 . 0 0 "[ . 1 . 2]" 1
971 1 76 ARG HA 1 76 ARG QG . . 3.990 2.270 2.011 2.454 . 0 0 "[ . 1 . 2]" 1
972 1 76 ARG HA 1 77 ARG H . . 2.770 2.276 2.055 2.498 . 0 0 "[ . 1 . 2]" 1
973 1 76 ARG HB2 1 76 ARG QD . . 3.700 2.894 2.254 3.329 . 0 0 "[ . 1 . 2]" 1
974 1 76 ARG HB3 1 76 ARG QD . . 3.670 2.518 2.231 3.154 . 0 0 "[ . 1 . 2]" 1
975 1 76 ARG HB3 1 77 ARG H . . 3.900 3.758 3.360 4.315 0.415 20 0 "[ . 1 . 2]" 1
976 1 76 ARG QD 1 97 VAL MG1 . . 3.130 2.608 2.005 3.172 0.042 13 0 "[ . 1 . 2]" 1
977 1 76 ARG QD 1 97 VAL MG2 . . 4.850 4.713 4.208 4.972 0.122 13 0 "[ . 1 . 2]" 1
978 1 76 ARG QG 1 77 ARG H . . 4.140 2.670 1.833 3.386 . 0 0 "[ . 1 . 2]" 1
979 1 76 ARG QG 1 77 ARG HA . . 5.210 4.438 3.357 5.292 0.082 7 0 "[ . 1 . 2]" 1
980 1 76 ARG QG 1 97 VAL MG1 . . 3.720 3.377 2.292 3.826 0.106 7 0 "[ . 1 . 2]" 1
981 1 77 ARG H 1 77 ARG QB . . 3.830 2.722 2.471 3.352 . 0 0 "[ . 1 . 2]" 1
982 1 77 ARG H 1 77 ARG HG3 . . 5.320 4.124 2.717 5.068 . 0 0 "[ . 1 . 2]" 1
983 1 77 ARG H 1 97 VAL MG1 . . 5.420 4.854 4.090 5.493 0.073 12 0 "[ . 1 . 2]" 1
984 1 77 ARG H 1 98 GLN H . . 4.020 3.836 2.967 4.106 0.086 11 0 "[ . 1 . 2]" 1
985 1 77 ARG HA 1 78 THR H . . 2.990 2.341 2.106 2.794 . 0 0 "[ . 1 . 2]" 1
986 1 77 ARG HA 1 78 THR HB . . 4.670 4.627 4.177 4.749 0.079 1 0 "[ . 1 . 2]" 1
987 1 78 THR H 1 78 THR HB . . 3.400 2.736 2.393 3.468 0.068 7 0 "[ . 1 . 2]" 1
988 1 78 THR H 1 78 THR MG . . 4.800 3.484 2.147 3.936 . 0 0 "[ . 1 . 2]" 1
989 1 78 THR HA 1 78 THR MG . . 3.250 2.600 2.293 3.279 0.029 6 0 "[ . 1 . 2]" 1
990 1 78 THR HA 1 79 GLY H . . 2.900 2.262 2.150 2.407 . 0 0 "[ . 1 . 2]" 1
991 1 78 THR HA 1 79 GLY HA2 . . 4.910 4.541 4.463 4.641 . 0 0 "[ . 1 . 2]" 1
992 1 78 THR HA 1 97 VAL HA . . 3.320 2.828 2.434 3.303 . 0 0 "[ . 1 . 2]" 1
993 1 78 THR HA 1 97 VAL MG1 . . 4.520 4.068 3.305 4.617 0.097 7 0 "[ . 1 . 2]" 1
994 1 78 THR HA 1 97 VAL MG2 . . 4.210 3.397 2.385 4.288 0.078 17 0 "[ . 1 . 2]" 1
995 1 78 THR HA 1 98 GLN H . . 4.170 3.871 3.179 4.248 0.078 18 0 "[ . 1 . 2]" 1
996 1 78 THR HB 1 79 GLY H . . 4.720 4.288 3.822 4.536 . 0 0 "[ . 1 . 2]" 1
997 1 78 THR HB 1 97 VAL MG2 . . 4.940 3.773 2.057 5.038 0.098 16 0 "[ . 1 . 2]" 1
998 1 78 THR MG 1 79 GLY H . . 3.580 3.323 2.449 3.671 0.091 20 0 "[ . 1 . 2]" 1
999 1 78 THR MG 1 95 LYS HA . . 4.290 3.767 2.814 4.370 0.080 6 0 "[ . 1 . 2]" 1
1000 1 78 THR MG 1 95 LYS QB . . 4.650 3.506 2.193 4.659 0.009 17 0 "[ . 1 . 2]" 1
1001 1 78 THR MG 1 95 LYS QE . . 3.800 2.868 1.906 3.920 0.120 10 0 "[ . 1 . 2]" 1
1002 1 78 THR MG 1 96 ILE H . . 4.460 3.783 2.235 4.550 0.090 14 0 "[ . 1 . 2]" 1
1003 1 78 THR MG 1 97 VAL H . . 5.500 4.922 3.810 5.576 0.076 7 0 "[ . 1 . 2]" 1
1004 1 78 THR MG 1 97 VAL MG2 . . 3.260 2.356 1.976 3.109 . 0 0 "[ . 1 . 2]" 1
1005 1 79 GLY H 1 80 LEU H . . 5.010 4.593 4.413 4.712 . 0 0 "[ . 1 . 2]" 1
1006 1 79 GLY H 1 95 LYS HA . . 4.610 4.273 3.664 4.665 0.055 13 0 "[ . 1 . 2]" 1
1007 1 79 GLY H 1 96 ILE H . . 3.880 2.966 2.534 3.512 . 0 0 "[ . 1 . 2]" 1
1008 1 79 GLY H 1 96 ILE HB . . 4.450 3.071 2.519 3.478 . 0 0 "[ . 1 . 2]" 1
1009 1 79 GLY H 1 96 ILE MG . . 5.500 4.263 3.923 4.503 . 0 0 "[ . 1 . 2]" 1
1010 1 79 GLY HA2 1 80 LEU H . . 3.410 2.405 2.262 2.606 . 0 0 "[ . 1 . 2]" 1
1011 1 79 GLY HA2 1 96 ILE HB . . 5.220 5.206 4.605 5.674 0.454 4 0 "[ . 1 . 2]" 1
1012 1 79 GLY HA3 1 80 LEU H . . 3.410 2.887 2.615 3.195 . 0 0 "[ . 1 . 2]" 1
1013 1 80 LEU H 1 80 LEU HB2 . . 3.400 3.303 2.930 3.474 0.074 12 0 "[ . 1 . 2]" 1
1014 1 80 LEU H 1 80 LEU HB3 . . 3.370 3.056 2.897 3.229 . 0 0 "[ . 1 . 2]" 1
1015 1 80 LEU H 1 80 LEU MD2 . . 5.500 4.762 4.358 4.957 . 0 0 "[ . 1 . 2]" 1
1016 1 80 LEU HA 1 80 LEU QD . . 3.640 2.198 2.033 3.102 . 0 0 "[ . 1 . 2]" 1
1017 1 80 LEU HA 1 80 LEU HG . . 3.900 2.781 2.433 3.169 . 0 0 "[ . 1 . 2]" 1
1018 1 80 LEU HA 1 81 VAL H . . 2.640 2.318 2.123 2.521 . 0 0 "[ . 1 . 2]" 1
1019 1 80 LEU HA 1 95 LYS HA . . 3.590 3.298 2.751 3.657 0.067 14 0 "[ . 1 . 2]" 1
1020 1 80 LEU HA 1 96 ILE H . . 4.830 4.626 4.119 4.919 0.089 7 0 "[ . 1 . 2]" 1
1021 1 80 LEU HB2 1 95 LYS HA . . 5.210 4.419 3.901 5.045 . 0 0 "[ . 1 . 2]" 1
1022 1 80 LEU HB3 1 81 VAL HA . . 4.630 4.622 3.968 4.721 0.091 11 0 "[ . 1 . 2]" 1
1023 1 80 LEU QD 1 81 VAL H . . 3.990 3.431 2.803 4.077 0.087 17 0 "[ . 1 . 2]" 1
1024 1 80 LEU QD 1 93 SER HA . . 4.570 3.706 2.512 4.660 0.090 1 0 "[ . 1 . 2]" 1
1025 1 80 LEU QD 1 93 SER QB . . 4.140 2.851 1.926 3.716 . 0 0 "[ . 1 . 2]" 1
1026 1 80 LEU QD 1 95 LYS HA . . 3.960 3.147 2.317 4.023 0.063 2 0 "[ . 1 . 2]" 1
1027 1 80 LEU QD 1 95 LYS QE . . 4.000 3.055 2.020 4.096 0.096 14 0 "[ . 1 . 2]" 1
1028 1 80 LEU QD 1 95 LYS HG2 . . 4.170 2.967 2.111 4.431 0.261 15 0 "[ . 1 . 2]" 1
1029 1 80 LEU HG 1 81 VAL H . . 4.100 3.489 1.991 4.177 0.077 15 0 "[ . 1 . 2]" 1
1030 1 80 LEU HG 1 81 VAL HA . . 4.740 4.303 3.454 4.812 0.072 15 0 "[ . 1 . 2]" 1
1031 1 81 VAL H 1 81 VAL HB . . 3.830 3.369 2.255 3.911 0.081 5 0 "[ . 1 . 2]" 1
1032 1 81 VAL H 1 81 VAL QG . . 3.390 2.373 2.027 2.909 . 0 0 "[ . 1 . 2]" 1
1033 1 81 VAL HA 1 81 VAL QG . . 3.330 2.314 2.118 2.528 . 0 0 "[ . 1 . 2]" 1
1034 1 81 VAL HA 1 82 THR H . . 2.950 2.447 2.171 2.831 . 0 0 "[ . 1 . 2]" 1
1035 1 81 VAL HB 1 82 THR H . . 4.340 2.992 2.079 4.304 . 0 0 "[ . 1 . 2]" 1
1036 1 81 VAL QG 1 82 THR H . . 3.530 2.673 1.934 3.310 . 0 0 "[ . 1 . 2]" 1
1037 1 81 VAL QG 1 83 LEU H . . 5.500 4.536 4.159 5.039 . 0 0 "[ . 1 . 2]" 1
1038 1 82 THR H 1 82 THR HB . . 3.240 2.727 2.411 2.940 . 0 0 "[ . 1 . 2]" 1
1039 1 82 THR H 1 82 THR MG . . 3.940 3.904 3.757 4.015 0.075 12 0 "[ . 1 . 2]" 1
1040 1 82 THR H 1 83 LEU H . . 4.920 4.452 4.255 4.556 . 0 0 "[ . 1 . 2]" 1
1041 1 82 THR HA 1 82 THR MG . . 3.130 2.350 2.230 2.565 . 0 0 "[ . 1 . 2]" 1
1042 1 82 THR HA 1 83 LEU H . . 2.790 2.393 2.212 2.658 . 0 0 "[ . 1 . 2]" 1
1043 1 82 THR HB 1 83 LEU H . . 5.040 3.642 3.024 4.093 . 0 0 "[ . 1 . 2]" 1
1044 1 82 THR MG 1 83 LEU H . . 3.460 2.161 1.726 2.636 . 0 0 "[ . 1 . 2]" 1
1045 1 82 THR MG 1 83 LEU HA . . 3.890 3.801 3.248 3.997 0.107 15 0 "[ . 1 . 2]" 1
1046 1 82 THR MG 1 91 THR HA . . 3.970 3.683 3.144 4.045 0.075 12 0 "[ . 1 . 2]" 1
1047 1 82 THR MG 1 91 THR HB . . 2.990 2.461 1.958 3.094 0.104 5 0 "[ . 1 . 2]" 1
1048 1 82 THR MG 1 92 LEU H . . 3.910 3.805 3.430 4.015 0.105 16 0 "[ . 1 . 2]" 1
1049 1 83 LEU H 1 83 LEU HB2 . . 3.930 3.295 2.426 3.973 0.043 2 0 "[ . 1 . 2]" 1
1050 1 83 LEU H 1 83 LEU MD1 . . 4.790 3.495 2.515 4.570 . 0 0 "[ . 1 . 2]" 1
1051 1 83 LEU H 1 83 LEU HG . . 3.700 3.099 2.148 3.778 0.078 5 0 "[ . 1 . 2]" 1
1052 1 83 LEU H 1 91 THR HA . . 5.070 3.547 2.788 4.435 . 0 0 "[ . 1 . 2]" 1
1053 1 83 LEU H 1 91 THR HB . . 5.500 3.493 2.564 4.351 . 0 0 "[ . 1 . 2]" 1
1054 1 83 LEU H 1 92 LEU H . . 3.820 2.923 2.561 3.324 . 0 0 "[ . 1 . 2]" 1
1055 1 83 LEU H 1 92 LEU HB2 . . 4.880 4.468 3.686 4.958 0.078 10 0 "[ . 1 . 2]" 1
1056 1 83 LEU HA 1 83 LEU MD2 . . 3.560 3.483 2.837 3.677 0.117 12 0 "[ . 1 . 2]" 1
1057 1 83 LEU HA 1 83 LEU HG . . 3.900 3.173 2.270 3.900 . 0 0 "[ . 1 . 2]" 1
1058 1 83 LEU HA 1 84 LYS H . . 3.280 2.390 2.108 2.507 . 0 0 "[ . 1 . 2]" 1
1059 1 83 LEU HB2 1 92 LEU H . . 4.630 3.585 1.997 4.970 0.340 9 0 "[ . 1 . 2]" 1
1060 1 83 LEU HB2 1 92 LEU HB2 . . 4.880 3.805 2.136 5.521 0.641 9 1 "[ . +1 . 2]" 1
1061 1 83 LEU HB2 1 92 LEU QD . . 4.980 4.111 3.238 5.003 0.023 9 0 "[ . 1 . 2]" 1
1062 1 83 LEU HB3 1 84 LYS H . . 4.930 3.165 2.368 4.253 . 0 0 "[ . 1 . 2]" 1
1063 1 83 LEU HB3 1 92 LEU H . . 5.230 4.532 3.154 5.311 0.081 8 0 "[ . 1 . 2]" 1
1064 1 83 LEU MD1 1 92 LEU HB2 . . 3.660 2.296 1.945 2.913 . 0 0 "[ . 1 . 2]" 1
1065 1 83 LEU MD1 1 92 LEU HB3 . . 4.140 3.228 2.203 4.236 0.096 19 0 "[ . 1 . 2]" 1
1066 1 83 LEU MD1 1 92 LEU QD . . 3.360 2.511 1.972 3.240 . 0 0 "[ . 1 . 2]" 1
1067 1 83 LEU MD2 1 84 LYS H . . 5.500 4.508 3.732 5.134 . 0 0 "[ . 1 . 2]" 1
1068 1 83 LEU MD2 1 92 LEU HB2 . . 3.120 2.815 1.952 3.727 0.607 18 1 "[ . 1 . + 2]" 1
1069 1 83 LEU HG 1 92 LEU QD . . 5.070 4.196 3.184 5.042 . 0 0 "[ . 1 . 2]" 1
1070 1 84 LYS H 1 84 LYS HB2 . . 3.750 3.184 2.604 3.378 . 0 0 "[ . 1 . 2]" 1
1071 1 84 LYS H 1 84 LYS HB3 . . 3.550 3.051 2.546 3.293 . 0 0 "[ . 1 . 2]" 1
1072 1 84 LYS HA 1 84 LYS QD . . 4.720 3.864 2.687 4.080 . 0 0 "[ . 1 . 2]" 1
1073 1 84 LYS HA 1 84 LYS QG . . 3.310 2.270 2.117 2.435 . 0 0 "[ . 1 . 2]" 1
1074 1 84 LYS HA 1 85 GLN H . . 2.940 2.385 2.106 2.929 . 0 0 "[ . 1 . 2]" 1
1075 1 84 LYS HA 1 85 GLN HB2 . . 4.550 4.205 3.779 4.590 0.040 10 0 "[ . 1 . 2]" 1
1076 1 84 LYS HA 1 89 GLY H . . 5.500 5.538 5.279 5.592 0.092 20 0 "[ . 1 . 2]" 1
1077 1 84 LYS HA 1 89 GLY HA2 . . 5.010 3.579 2.743 4.268 . 0 0 "[ . 1 . 2]" 1
1078 1 84 LYS HA 1 91 THR HA . . 3.680 3.324 2.721 3.759 0.079 17 0 "[ . 1 . 2]" 1
1079 1 84 LYS HA 1 91 THR MG . . 3.410 3.062 2.284 3.434 0.024 18 0 "[ . 1 . 2]" 1
1080 1 84 LYS HB2 1 84 LYS QE . . 4.270 4.032 3.777 4.212 . 0 0 "[ . 1 . 2]" 1
1081 1 84 LYS HB2 1 89 GLY HA2 . . 4.880 4.680 4.305 4.985 0.105 9 0 "[ . 1 . 2]" 1
1082 1 84 LYS HB3 1 89 GLY HA2 . . 4.920 4.785 4.341 4.981 0.061 6 0 "[ . 1 . 2]" 1
1083 1 84 LYS QD 1 89 GLY HA2 . . 4.250 3.660 2.742 4.323 0.073 13 0 "[ . 1 . 2]" 1
1084 1 84 LYS QD 1 89 GLY HA3 . . 4.580 4.479 3.923 4.669 0.089 17 0 "[ . 1 . 2]" 1
1085 1 84 LYS QE 1 84 LYS QG . . 3.100 2.103 1.971 2.339 . 0 0 "[ . 1 . 2]" 1
1086 1 84 LYS QE 1 89 GLY H . . 4.490 4.452 4.127 4.576 0.086 11 0 "[ . 1 . 2]" 1
1087 1 84 LYS QE 1 89 GLY HA2 . . 4.410 2.395 1.931 3.149 . 0 0 "[ . 1 . 2]" 1
1088 1 84 LYS QE 1 89 GLY HA3 . . 3.680 2.617 2.071 3.270 . 0 0 "[ . 1 . 2]" 1
1089 1 84 LYS QE 1 91 THR MG . . 4.250 3.811 2.127 4.377 0.127 20 0 "[ . 1 . 2]" 1
1090 1 84 LYS QG 1 85 GLN H . . 4.040 2.201 1.678 2.884 . 0 0 "[ . 1 . 2]" 1
1091 1 84 LYS QG 1 89 GLY H . . 4.420 4.388 4.077 4.518 0.098 17 0 "[ . 1 . 2]" 1
1092 1 84 LYS QG 1 89 GLY HA2 . . 3.410 2.078 1.940 2.219 . 0 0 "[ . 1 . 2]" 1
1093 1 84 LYS QG 1 89 GLY HA3 . . 3.520 3.295 2.427 3.600 0.080 12 0 "[ . 1 . 2]" 1
1094 1 84 LYS QG 1 91 THR HA . . 4.870 4.322 3.496 4.957 0.087 5 0 "[ . 1 . 2]" 1
1095 1 85 GLN H 1 85 GLN HB2 . . 3.900 2.509 2.056 3.015 . 0 0 "[ . 1 . 2]" 1
1096 1 85 GLN H 1 85 GLN HB3 . . 3.830 2.761 2.122 3.468 . 0 0 "[ . 1 . 2]" 1
1097 1 85 GLN H 1 90 LYS H . . 4.710 4.089 2.364 4.784 0.074 7 0 "[ . 1 . 2]" 1
1098 1 85 GLN H 1 91 THR MG . . 4.850 4.686 3.955 4.952 0.102 5 0 "[ . 1 . 2]" 1
1099 1 85 GLN HA 1 85 GLN HG2 . . 4.070 3.203 2.707 3.696 . 0 0 "[ . 1 . 2]" 1
1100 1 85 GLN HA 1 85 GLN HG3 . . 3.770 2.463 2.191 2.940 . 0 0 "[ . 1 . 2]" 1
1101 1 85 GLN HA 1 86 ASP H . . 3.070 2.344 2.157 2.463 . 0 0 "[ . 1 . 2]" 1
1102 1 85 GLN HA 1 86 ASP QB . . 4.930 4.181 3.941 4.372 . 0 0 "[ . 1 . 2]" 1
1103 1 85 GLN HB2 1 86 ASP H . . 5.500 4.049 3.636 4.487 . 0 0 "[ . 1 . 2]" 1
1104 1 85 GLN HB2 1 89 GLY H . . 5.340 4.061 2.654 4.776 . 0 0 "[ . 1 . 2]" 1
1105 1 85 GLN HB2 1 90 LYS H . . 4.770 3.808 1.758 4.849 0.079 6 0 "[ . 1 . 2]" 1
1106 1 85 GLN HB3 1 85 GLN HE22 . . 5.500 4.299 3.877 4.788 . 0 0 "[ . 1 . 2]" 1
1107 1 85 GLN HB3 1 88 SER H . . 4.460 2.483 1.888 3.298 . 0 0 "[ . 1 . 2]" 1
1108 1 85 GLN HB3 1 88 SER HA . . 4.480 4.239 3.831 4.557 0.077 9 0 "[ . 1 . 2]" 1
1109 1 85 GLN HB3 1 88 SER QB . . 3.760 2.364 2.012 3.378 . 0 0 "[ . 1 . 2]" 1
1110 1 85 GLN HB3 1 89 GLY H . . 4.340 3.720 2.935 4.258 . 0 0 "[ . 1 . 2]" 1
1111 1 85 GLN HE21 1 89 GLY H . . 5.500 5.257 4.586 5.587 0.087 1 0 "[ . 1 . 2]" 1
1112 1 85 GLN HE22 1 89 GLY H . . 5.500 5.433 4.947 5.587 0.087 16 0 "[ . 1 . 2]" 1
1113 1 85 GLN HG2 1 86 ASP H . . 4.210 2.749 2.227 3.463 . 0 0 "[ . 1 . 2]" 1
1114 1 85 GLN HG3 1 86 ASP H . . 4.130 2.896 2.149 4.208 0.078 19 0 "[ . 1 . 2]" 1
1115 1 86 ASP H 1 86 ASP QB . . 2.840 2.182 2.087 2.311 . 0 0 "[ . 1 . 2]" 1
1116 1 86 ASP HA 1 87 GLU QG . . 4.740 4.588 4.169 4.831 0.091 19 0 "[ . 1 . 2]" 1
1117 1 86 ASP HA 1 88 SER H . . 5.180 4.715 4.351 5.266 0.086 11 0 "[ . 1 . 2]" 1
1118 1 86 ASP QB 1 87 GLU H . . 3.260 2.156 1.846 2.729 . 0 0 "[ . 1 . 2]" 1
1119 1 86 ASP QB 1 87 GLU QG . . 3.010 3.029 2.484 3.124 0.114 4 0 "[ . 1 . 2]" 1
1120 1 87 GLU H 1 87 GLU HB3 . . 4.030 3.630 3.449 3.786 . 0 0 "[ . 1 . 2]" 1
1121 1 87 GLU H 1 87 GLU QG . . 3.760 2.573 2.040 3.278 . 0 0 "[ . 1 . 2]" 1
1122 1 87 GLU H 1 88 SER H . . 4.900 2.328 1.972 2.647 . 0 0 "[ . 1 . 2]" 1
1123 1 87 GLU HA 1 87 GLU QG . . 3.020 2.532 2.263 2.951 . 0 0 "[ . 1 . 2]" 1
1124 1 87 GLU HB2 1 88 SER H . . 3.430 3.109 2.457 3.518 0.088 14 0 "[ . 1 . 2]" 1
1125 1 87 GLU HB2 1 88 SER HA . . 5.270 4.618 3.992 5.026 . 0 0 "[ . 1 . 2]" 1
1126 1 87 GLU QG 1 88 SER H . . 4.310 4.237 3.998 4.409 0.099 16 0 "[ . 1 . 2]" 1
1127 1 88 SER H 1 88 SER QB . . 3.630 2.649 2.358 3.173 . 0 0 "[ . 1 . 2]" 1
1128 1 88 SER QB 1 89 GLY H . . 4.690 2.213 1.823 2.656 . 0 0 "[ . 1 . 2]" 1
1129 1 88 SER QB 1 90 LYS H . . 3.970 3.310 2.647 3.813 . 0 0 "[ . 1 . 2]" 1
1130 1 89 GLY H 1 90 LYS H . . 3.480 2.130 1.730 2.983 . 0 0 "[ . 1 . 2]" 1
1131 1 89 GLY H 1 90 LYS HB2 . . 5.090 4.112 3.441 5.275 0.185 1 0 "[ . 1 . 2]" 1
1132 1 90 LYS H 1 90 LYS HB2 . . 3.250 2.305 1.947 3.696 0.446 1 0 "[ . 1 . 2]" 1
1133 1 90 LYS H 1 90 LYS HB3 . . 3.850 3.194 1.885 3.609 . 0 0 "[ . 1 . 2]" 1
1134 1 90 LYS H 1 90 LYS QG . . 3.790 3.242 2.820 3.488 . 0 0 "[ . 1 . 2]" 1
1135 1 90 LYS HA 1 90 LYS QG . . 3.480 2.341 2.033 3.317 . 0 0 "[ . 1 . 2]" 1
1136 1 90 LYS HA 1 91 THR H . . 2.710 2.215 1.933 2.527 . 0 0 "[ . 1 . 2]" 1
1137 1 90 LYS HA 1 91 THR HA . . 5.280 4.443 4.353 4.513 . 0 0 "[ . 1 . 2]" 1
1138 1 90 LYS HB3 1 91 THR H . . 3.860 3.778 2.251 4.593 0.733 1 1 "[+ . 1 . 2]" 1
1139 1 90 LYS HB3 1 91 THR HA . . 5.130 4.756 4.085 5.988 0.858 1 1 "[+ . 1 . 2]" 1
1140 1 90 LYS QG 1 91 THR H . . 4.530 3.860 2.234 4.428 . 0 0 "[ . 1 . 2]" 1
1141 1 91 THR H 1 91 THR MG . . 3.530 2.678 2.163 3.188 . 0 0 "[ . 1 . 2]" 1
1142 1 91 THR HA 1 91 THR MG . . 3.150 2.340 2.191 2.551 . 0 0 "[ . 1 . 2]" 1
1143 1 91 THR HA 1 92 LEU H . . 2.900 2.236 2.019 2.520 . 0 0 "[ . 1 . 2]" 1
1144 1 91 THR HA 1 92 LEU HA . . 4.470 4.481 4.404 4.535 0.065 9 0 "[ . 1 . 2]" 1
1145 1 91 THR HB 1 92 LEU H . . 3.520 3.235 2.550 3.601 0.081 15 0 "[ . 1 . 2]" 1
1146 1 92 LEU H 1 92 LEU HB2 . . 4.160 2.548 2.197 2.757 . 0 0 "[ . 1 . 2]" 1
1147 1 92 LEU H 1 92 LEU QD . . 4.140 3.373 2.917 3.719 . 0 0 "[ . 1 . 2]" 1
1148 1 92 LEU HA 1 92 LEU QD . . 2.710 2.255 2.100 2.447 . 0 0 "[ . 1 . 2]" 1
1149 1 92 LEU HA 1 93 SER H . . 3.200 2.380 2.027 2.777 . 0 0 "[ . 1 . 2]" 1
1150 1 92 LEU HB2 1 92 LEU QD . . 3.210 2.188 2.084 2.299 . 0 0 "[ . 1 . 2]" 1
1151 1 92 LEU HB2 1 93 SER H . . 4.260 3.823 3.040 4.340 0.080 10 0 "[ . 1 . 2]" 1
1152 1 92 LEU HB3 1 93 SER H . . 4.060 2.722 1.969 3.562 . 0 0 "[ . 1 . 2]" 1
1153 1 92 LEU QD 1 93 SER H . . 4.150 3.635 3.182 3.919 . 0 0 "[ . 1 . 2]" 1
1154 1 93 SER H 1 93 SER QB . . 3.390 2.682 2.228 3.179 . 0 0 "[ . 1 . 2]" 1
1155 1 93 SER HA 1 94 LEU H . . 2.650 2.265 2.027 2.381 . 0 0 "[ . 1 . 2]" 1
1156 1 93 SER HA 1 94 LEU HB3 . . 4.590 4.673 4.037 5.305 0.715 2 3 "[ + * 1 -. 2]" 1
1157 1 93 SER QB 1 94 LEU H . . 4.220 3.245 2.494 3.833 . 0 0 "[ . 1 . 2]" 1
1158 1 94 LEU H 1 94 LEU HB2 . . 3.800 2.889 2.306 3.454 . 0 0 "[ . 1 . 2]" 1
1159 1 94 LEU H 1 94 LEU HB3 . . 3.610 2.748 2.374 3.139 . 0 0 "[ . 1 . 2]" 1
1160 1 94 LEU H 1 94 LEU QD . . 4.740 3.882 3.531 4.026 . 0 0 "[ . 1 . 2]" 1
1161 1 94 LEU H 1 95 LYS H . . 5.390 4.036 3.484 4.453 . 0 0 "[ . 1 . 2]" 1
1162 1 94 LEU HA 1 94 LEU QD . . 3.150 2.317 1.982 2.621 . 0 0 "[ . 1 . 2]" 1
1163 1 94 LEU HA 1 94 LEU HG . . 4.250 3.010 2.290 3.720 . 0 0 "[ . 1 . 2]" 1
1164 1 94 LEU HA 1 95 LYS H . . 2.810 2.227 2.125 2.377 . 0 0 "[ . 1 . 2]" 1
1165 1 94 LEU QD 1 95 LYS H . . 3.260 2.708 2.036 3.325 0.065 11 0 "[ . 1 . 2]" 1
1166 1 94 LEU HG 1 95 LYS H . . 5.010 4.312 3.446 5.065 0.055 18 0 "[ . 1 . 2]" 1
1167 1 95 LYS H 1 95 LYS QB . . 3.350 2.403 2.246 2.606 . 0 0 "[ . 1 . 2]" 1
1168 1 95 LYS H 1 95 LYS HG2 . . 5.050 4.346 4.061 4.719 . 0 0 "[ . 1 . 2]" 1
1169 1 95 LYS H 1 96 ILE H . . 4.360 4.239 3.852 4.444 0.084 18 0 "[ . 1 . 2]" 1
1170 1 95 LYS HA 1 95 LYS HG2 . . 4.190 2.656 2.232 3.375 . 0 0 "[ . 1 . 2]" 1
1171 1 95 LYS HA 1 95 LYS HG3 . . 3.610 2.741 2.327 3.148 . 0 0 "[ . 1 . 2]" 1
1172 1 95 LYS HA 1 96 ILE H . . 2.770 2.209 2.047 2.285 . 0 0 "[ . 1 . 2]" 1
1173 1 95 LYS HA 1 96 ILE HB . . 4.760 4.659 4.299 4.842 0.082 1 0 "[ . 1 . 2]" 1
1174 1 95 LYS QB 1 95 LYS QE . . 3.790 2.812 1.973 3.626 . 0 0 "[ . 1 . 2]" 1
1175 1 95 LYS QB 1 96 ILE H . . 4.060 3.480 2.700 4.068 0.008 15 0 "[ . 1 . 2]" 1
1176 1 95 LYS HG2 1 96 ILE H . . 4.400 3.892 2.624 4.468 0.068 3 0 "[ . 1 . 2]" 1
1177 1 96 ILE H 1 96 ILE HB . . 3.640 2.675 2.332 2.953 . 0 0 "[ . 1 . 2]" 1
1178 1 96 ILE H 1 96 ILE MD . . 4.620 2.805 1.964 3.758 . 0 0 "[ . 1 . 2]" 1
1179 1 96 ILE H 1 96 ILE HG12 . . 4.650 4.277 3.706 4.674 0.024 8 0 "[ . 1 . 2]" 1
1180 1 96 ILE H 1 96 ILE HG13 . . 4.450 3.143 2.295 3.715 . 0 0 "[ . 1 . 2]" 1
1181 1 96 ILE H 1 96 ILE MG . . 4.530 3.884 3.722 4.001 . 0 0 "[ . 1 . 2]" 1
1182 1 96 ILE H 1 97 VAL H . . 5.230 4.167 3.487 4.526 . 0 0 "[ . 1 . 2]" 1
1183 1 96 ILE HA 1 96 ILE MD . . 4.150 3.777 3.581 4.015 . 0 0 "[ . 1 . 2]" 1
1184 1 96 ILE HA 1 96 ILE HG12 . . 3.980 3.330 2.857 3.721 . 0 0 "[ . 1 . 2]" 1
1185 1 96 ILE HA 1 96 ILE HG13 . . 3.830 2.715 2.455 3.185 . 0 0 "[ . 1 . 2]" 1
1186 1 96 ILE HA 1 96 ILE MG . . 3.430 2.388 2.285 2.528 . 0 0 "[ . 1 . 2]" 1
1187 1 96 ILE HA 1 97 VAL H . . 2.900 2.292 2.191 2.433 . 0 0 "[ . 1 . 2]" 1
1188 1 96 ILE HB 1 97 VAL H . . 4.660 4.339 4.023 4.602 . 0 0 "[ . 1 . 2]" 1
1189 1 96 ILE MD 1 96 ILE MG . . 3.090 2.715 2.122 3.158 0.068 2 0 "[ . 1 . 2]" 1
1190 1 96 ILE MG 1 97 VAL H . . 3.720 3.135 2.513 3.777 0.057 6 0 "[ . 1 . 2]" 1
1191 1 96 ILE MG 1 98 GLN H . . 4.610 3.225 2.691 3.863 . 0 0 "[ . 1 . 2]" 1
1192 1 96 ILE MG 1 98 GLN HB2 . . 4.730 3.814 3.545 4.529 . 0 0 "[ . 1 . 2]" 1
1193 1 96 ILE MG 1 98 GLN HB3 . . 4.440 2.613 2.108 4.276 . 0 0 "[ . 1 . 2]" 1
1194 1 97 VAL H 1 97 VAL HB . . 3.400 2.564 2.278 2.763 . 0 0 "[ . 1 . 2]" 1
1195 1 97 VAL H 1 97 VAL MG1 . . 4.220 3.832 3.686 3.945 . 0 0 "[ . 1 . 2]" 1
1196 1 97 VAL H 1 97 VAL MG2 . . 3.510 2.614 2.297 3.101 . 0 0 "[ . 1 . 2]" 1
1197 1 97 VAL H 1 98 GLN H . . 5.500 3.920 3.495 4.247 . 0 0 "[ . 1 . 2]" 1
1198 1 97 VAL HA 1 97 VAL MG1 . . 3.300 2.395 2.264 2.614 . 0 0 "[ . 1 . 2]" 1
1199 1 97 VAL HA 1 97 VAL MG2 . . 3.350 2.483 2.269 2.639 . 0 0 "[ . 1 . 2]" 1
1200 1 97 VAL HA 1 98 GLN H . . 2.950 2.307 2.184 2.494 . 0 0 "[ . 1 . 2]" 1
1201 1 97 VAL HB 1 98 GLN H . . 5.160 4.548 4.469 4.617 . 0 0 "[ . 1 . 2]" 1
1202 1 97 VAL MG1 1 98 GLN H . . 3.900 3.644 3.320 3.960 0.060 18 0 "[ . 1 . 2]" 1
1203 1 97 VAL MG2 1 98 GLN H . . 4.490 4.382 4.106 4.510 0.020 18 0 "[ . 1 . 2]" 1
1204 1 98 GLN H 1 98 GLN HB2 . . 3.910 3.632 2.555 3.889 . 0 0 "[ . 1 . 2]" 1
1205 1 98 GLN H 1 98 GLN HB3 . . 3.960 3.098 2.763 3.720 . 0 0 "[ . 1 . 2]" 1
1206 1 98 GLN H 1 98 GLN HE21 . . 5.010 4.599 2.932 5.098 0.088 18 0 "[ . 1 . 2]" 1
1207 1 98 GLN H 1 98 GLN HG3 . . 5.430 2.977 2.170 3.980 . 0 0 "[ . 1 . 2]" 1
1208 1 98 GLN H 1 99 PRO HA . . 5.500 5.316 5.018 5.572 0.072 17 0 "[ . 1 . 2]" 1
1209 1 98 GLN HA 1 99 PRO HD2 . . 3.470 2.390 2.258 2.849 . 0 0 "[ . 1 . 2]" 1
1210 1 98 GLN HA 1 99 PRO HD3 . . 3.230 2.542 2.317 2.827 . 0 0 "[ . 1 . 2]" 1
1211 1 98 GLN HA 1 99 PRO HG2 . . 5.130 4.561 4.448 4.871 . 0 0 "[ . 1 . 2]" 1
1212 1 98 GLN HA 1 99 PRO HG3 . . 5.110 4.663 4.495 4.824 . 0 0 "[ . 1 . 2]" 1
1213 1 98 GLN HB2 1 98 GLN HE21 . . 4.660 3.788 2.133 4.576 . 0 0 "[ . 1 . 2]" 1
1214 1 98 GLN HB3 1 98 GLN HE21 . . 4.370 4.055 2.285 4.552 0.182 14 0 "[ . 1 . 2]" 1
1215 1 98 GLN HB3 1 99 PRO HD2 . . 4.150 3.302 2.127 3.781 . 0 0 "[ . 1 . 2]" 1
1216 1 98 GLN HG2 1 99 PRO HD2 . . 4.880 4.633 2.943 4.964 0.084 1 0 "[ . 1 . 2]" 1
1217 1 98 GLN HG3 1 99 PRO HD2 . . 4.870 4.272 3.666 4.960 0.090 2 0 "[ . 1 . 2]" 1
1218 1 99 PRO HA 1 100 GLY H . . 2.970 2.646 2.348 2.901 . 0 0 "[ . 1 . 2]" 1
1219 1 99 PRO HA 1 100 GLY HA3 . . 4.340 4.435 4.259 4.793 0.453 13 0 "[ . 1 . 2]" 1
1220 1 99 PRO HB2 1 100 GLY H . . 3.620 2.253 1.946 2.926 . 0 0 "[ . 1 . 2]" 1
1221 1 99 PRO HB3 1 100 GLY H . . 4.070 3.424 3.070 3.765 . 0 0 "[ . 1 . 2]" 1
1222 1 100 GLY H 1 101 LYS H . . 5.500 4.413 4.303 4.578 . 0 0 "[ . 1 . 2]" 1
1223 1 100 GLY HA2 1 101 LYS H . . 3.250 2.353 2.165 2.557 . 0 0 "[ . 1 . 2]" 1
1224 1 100 GLY HA2 1 101 LYS HB3 . . 4.940 4.402 3.897 5.836 0.896 12 1 "[ . 1 + . 2]" 1
1225 1 100 GLY HA3 1 101 LYS H . . 3.370 2.781 2.556 3.389 0.019 18 0 "[ . 1 . 2]" 1
1226 1 101 LYS H 1 101 LYS HB3 . . 3.340 2.780 2.290 3.574 0.234 12 0 "[ . 1 . 2]" 1
1227 1 101 LYS H 1 101 LYS QG . . 4.530 3.737 2.191 4.218 . 0 0 "[ . 1 . 2]" 1
1228 1 101 LYS HA 1 101 LYS QD . . 4.200 4.019 3.650 4.266 0.066 2 0 "[ . 1 . 2]" 1
1229 1 101 LYS HA 1 101 LYS QG . . 3.860 2.765 2.157 3.600 . 0 0 "[ . 1 . 2]" 1
1230 1 101 LYS HA 1 102 THR H . . 2.580 2.367 2.091 2.649 0.069 15 0 "[ . 1 . 2]" 1
1231 1 101 LYS HB2 1 101 LYS QE . . 5.020 3.118 2.104 4.613 . 0 0 "[ . 1 . 2]" 1
1232 1 101 LYS HB2 1 102 THR H . . 4.230 3.617 2.074 4.393 0.163 4 0 "[ . 1 . 2]" 1
1233 1 101 LYS HB3 1 101 LYS QE . . 4.620 3.042 2.073 4.268 . 0 0 "[ . 1 . 2]" 1
1234 1 101 LYS HB3 1 102 THR H . . 4.360 3.877 3.209 4.320 . 0 0 "[ . 1 . 2]" 1
1235 1 101 LYS QG 1 102 THR H . . 3.590 2.646 1.894 3.543 . 0 0 "[ . 1 . 2]" 1
1236 1 101 LYS QG 1 103 SER H . . 4.060 3.318 2.522 4.030 . 0 0 "[ . 1 . 2]" 1
1237 1 102 THR H 1 102 THR HB . . 3.720 3.758 3.631 3.801 0.081 17 0 "[ . 1 . 2]" 1
1238 1 102 THR H 1 103 SER H . . 3.350 3.314 1.815 3.431 0.081 15 0 "[ . 1 . 2]" 1
1239 1 102 THR HA 1 103 SER H . . 2.960 2.342 2.192 3.041 0.081 12 0 "[ . 1 . 2]" 1
1240 1 102 THR HB 1 103 SER H . . 4.110 4.073 3.938 4.190 0.080 14 0 "[ . 1 . 2]" 1
1241 1 102 THR HB 1 103 SER HA . . 4.360 4.383 4.083 4.452 0.092 14 0 "[ . 1 . 2]" 1
1242 1 102 THR MG 1 103 SER H . . 4.360 4.126 3.843 4.436 0.076 12 0 "[ . 1 . 2]" 1
1243 1 103 SER H 1 103 SER HB2 . . 3.520 3.270 2.670 4.006 0.486 4 0 "[ . 1 . 2]" 1
1244 1 103 SER H 1 105 ASP H . . 4.020 4.030 3.719 4.100 0.080 3 0 "[ . 1 . 2]" 1
1245 1 103 SER HA 1 103 SER HB2 . . 2.890 2.720 2.373 2.981 0.091 1 0 "[ . 1 . 2]" 1
1246 1 103 SER HA 1 104 ILE H . . 2.770 2.654 2.383 2.846 0.076 15 0 "[ . 1 . 2]" 1
1247 1 103 SER HA 1 104 ILE MD . . 5.500 4.694 2.970 5.587 0.087 18 0 "[ . 1 . 2]" 1
1248 1 103 SER HB2 1 104 ILE H . . 4.120 2.977 1.972 3.863 . 0 0 "[ . 1 . 2]" 1
1249 1 104 ILE H 1 104 ILE HB . . 3.750 2.950 2.449 3.777 0.027 6 0 "[ . 1 . 2]" 1
1250 1 104 ILE H 1 104 ILE HG12 . . 4.820 3.325 2.032 4.781 . 0 0 "[ . 1 . 2]" 1
1251 1 104 ILE H 1 104 ILE HG13 . . 4.400 3.145 2.400 4.480 0.080 10 0 "[ . 1 . 2]" 1
1252 1 104 ILE H 1 104 ILE MG . . 4.650 3.300 1.879 3.961 . 0 0 "[ . 1 . 2]" 1
1253 1 104 ILE H 1 105 ASP H . . 4.010 3.445 2.296 3.888 . 0 0 "[ . 1 . 2]" 1
1254 1 104 ILE HA 1 104 ILE MD . . 4.760 3.569 2.137 4.218 . 0 0 "[ . 1 . 2]" 1
1255 1 104 ILE HA 1 105 ASP H . . 3.210 2.516 2.254 3.159 . 0 0 "[ . 1 . 2]" 1
1256 1 104 ILE HB 1 105 ASP H . . 4.720 4.512 4.292 4.630 . 0 0 "[ . 1 . 2]" 1
1257 1 104 ILE HG13 1 104 ILE MG . . 2.940 2.933 2.271 3.271 0.331 1 0 "[ . 1 . 2]" 1
1258 1 104 ILE MG 1 105 ASP H . . 4.960 3.963 3.591 4.416 . 0 0 "[ . 1 . 2]" 1
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