NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471443 |
2kzc   |
17002 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kzc
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 1410
_Distance_constraint_stats_list.Viol_count 2931
_Distance_constraint_stats_list.Viol_total 5108.288
_Distance_constraint_stats_list.Viol_max 0.995
_Distance_constraint_stats_list.Viol_rms 0.0449
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0091
_Distance_constraint_stats_list.Viol_average_violations_only 0.0871
_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 2 MET 0.708 0.089 7 0 "[ . 1 . 2]"
1 3 GLN 11.547 0.599 13 5 "[ . 1 + *** -2]"
1 4 PHE 14.042 0.550 17 3 "[ . 1 .*+ -2]"
1 5 LYS 5.242 0.449 19 0 "[ . 1 . 2]"
1 6 ALA 2.371 0.117 10 0 "[ . 1 . 2]"
1 7 GLU 13.055 0.892 11 8 "[- * * **+** . 2]"
1 8 ALA 1.908 0.117 10 0 "[ . 1 . 2]"
1 9 ARG 2.063 0.092 5 0 "[ . 1 . 2]"
1 10 ARG 13.350 0.892 11 8 "[- * * **+** . 2]"
1 11 ASN 2.109 0.112 15 0 "[ . 1 . 2]"
1 12 LYS 0.568 0.089 4 0 "[ . 1 . 2]"
1 13 LEU 2.899 0.101 19 0 "[ . 1 . 2]"
1 14 MET 4.281 0.120 17 0 "[ . 1 . 2]"
1 15 GLY 2.437 0.106 14 0 "[ . 1 . 2]"
1 16 LEU 4.478 0.856 19 2 "[ . 1 - +2]"
1 17 TRP 9.863 0.353 13 0 "[ . 1 . 2]"
1 18 VAL 4.819 0.120 3 0 "[ . 1 . 2]"
1 19 ALA 9.050 0.509 13 2 "[ . -1 + . 2]"
1 20 GLU 4.230 0.079 18 0 "[ . 1 . 2]"
1 21 VAL 3.197 0.088 4 0 "[ . 1 . 2]"
1 22 LEU 0.835 0.074 20 0 "[ . 1 . 2]"
1 23 GLY 1.841 0.105 5 0 "[ . 1 . 2]"
1 24 LYS 8.925 0.509 13 2 "[ . -1 + . 2]"
1 25 SER 3.552 0.163 10 0 "[ . 1 . 2]"
1 26 GLY 2.739 0.694 19 1 "[ . 1 . +2]"
1 27 ASP 9.710 0.327 7 0 "[ . 1 . 2]"
1 28 GLU 13.527 0.694 19 1 "[ . 1 . +2]"
1 29 ALA 3.447 0.366 14 0 "[ . 1 . 2]"
1 30 ASN 5.974 0.856 19 2 "[ . 1 - +2]"
1 31 ALA 1.297 0.113 15 0 "[ . 1 . 2]"
1 32 TYR 12.325 0.173 5 0 "[ . 1 . 2]"
1 33 ALA 3.050 0.106 14 0 "[ . 1 . 2]"
1 34 ALA 3.846 0.289 15 0 "[ . 1 . 2]"
1 35 GLU 7.364 0.958 15 4 "[ - 1 * + *]"
1 36 VAL 3.857 0.114 18 0 "[ . 1 . 2]"
1 37 VAL 9.244 0.136 18 0 "[ . 1 . 2]"
1 38 LYS 6.461 0.121 15 0 "[ . 1 . 2]"
1 39 ALA 3.011 0.135 8 0 "[ . 1 . 2]"
1 40 ASP 4.355 0.844 18 3 "[ . - 1 * . + 2]"
1 41 PHE 5.598 0.132 15 0 "[ . 1 . 2]"
1 42 GLU 1.951 0.125 6 0 "[ . 1 . 2]"
1 43 GLU 2.461 0.120 12 0 "[ . 1 . 2]"
1 44 ALA 1.723 0.120 12 0 "[ . 1 . 2]"
1 45 GLY 1.507 0.274 12 0 "[ . 1 . 2]"
1 46 HIS 8.098 0.847 11 2 "[ . 1+ .- 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.180 0.069 12 0 "[ . 1 . 2]"
1 49 VAL 13.110 0.847 11 5 "[ . * 1+ * .- * 2]"
1 50 MET 5.178 0.362 11 0 "[ . 1 . 2]"
1 51 ARG 3.256 0.308 14 0 "[ . 1 . 2]"
1 52 LYS 6.397 0.958 15 3 "[ . 1 * + -]"
1 53 VAL 6.325 0.120 3 0 "[ . 1 . 2]"
1 54 LEU 3.743 0.094 4 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ASP 1.864 0.078 20 0 "[ . 1 . 2]"
1 57 LEU 3.809 0.106 16 0 "[ . 1 . 2]"
1 58 ASP 2.734 0.084 20 0 "[ . 1 . 2]"
1 59 GLY 0.470 0.076 12 0 "[ . 1 . 2]"
1 60 LYS 6.287 0.097 9 0 "[ . 1 . 2]"
1 61 ARG 1.450 0.101 5 0 "[ . 1 . 2]"
1 62 PRO 5.362 0.103 19 0 "[ . 1 . 2]"
1 63 GLU 1.754 0.076 9 0 "[ . 1 . 2]"
1 64 ALA 8.386 0.745 13 7 "[ * . *-*+ ** 2]"
1 65 GLU 10.702 0.284 14 0 "[ . 1 . 2]"
1 66 VAL 3.003 0.137 4 0 "[ . 1 . 2]"
1 67 ARG 15.080 0.745 13 10 "[ * * **-*+ *** 2]"
1 68 ALA 3.680 0.117 8 0 "[ . 1 . 2]"
1 69 LYS 5.830 0.353 13 0 "[ . 1 . 2]"
1 70 TYR 7.561 0.120 17 0 "[ . 1 . 2]"
1 71 GLU 0.823 0.087 8 0 "[ . 1 . 2]"
1 72 GLY 2.938 0.098 18 0 "[ . 1 . 2]"
1 73 LEU 9.900 0.116 18 0 "[ . 1 . 2]"
1 74 MET 5.692 0.111 15 0 "[ . 1 . 2]"
1 75 ALA 2.282 0.099 2 0 "[ . 1 . 2]"
1 76 VAL 3.496 0.098 11 0 "[ . 1 . 2]"
1 77 ALA 3.865 0.096 5 0 "[ . 1 . 2]"
1 78 LYS 11.953 0.926 18 7 "[ . -*** * + *]"
1 79 ALA 0.082 0.082 18 0 "[ . 1 . 2]"
1 80 GLN 5.267 0.098 11 0 "[ . 1 . 2]"
1 81 LEU 7.460 0.941 17 2 "[ . 1 - + 2]"
1 82 MET 10.420 0.926 18 7 "[ . -*** * + *]"
1 83 ASP 2.122 0.995 17 2 "[ . 1 - + 2]"
1 84 GLU 10.545 0.995 17 5 "[ . * - * * + 2]"
1 85 LEU 6.576 0.817 17 7 "[* *. 1* * .-+ *]"
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 2 MET HA 1 2 MET QG . . 3.720 2.767 2.255 3.503 . 0 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 4 PHE H . . 4.220 3.704 2.802 4.291 0.071 14 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 5 LYS QB . . 3.500 3.332 2.803 3.589 0.089 7 0 "[ . 1 . 2]" 1
4 1 2 MET HA 1 6 ALA MB . . 5.500 4.505 2.921 5.403 . 0 0 "[ . 1 . 2]" 1
5 1 2 MET QB 1 2 MET QG . . 2.400 2.060 1.980 2.116 . 0 0 "[ . 1 . 2]" 1
6 1 2 MET QB 1 3 GLN H . . 4.820 3.197 1.903 4.109 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN H 1 3 GLN QB . . 3.200 2.233 1.865 3.296 0.096 12 0 "[ . 1 . 2]" 1
8 1 3 GLN H 1 3 GLN HG2 . . 4.690 3.992 2.973 5.289 0.599 13 1 "[ . 1 + . 2]" 1
9 1 3 GLN H 1 4 PHE H . . 3.850 2.937 1.948 3.380 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN H 1 6 ALA H . . 5.500 4.805 3.741 5.559 0.059 17 0 "[ . 1 . 2]" 1
11 1 3 GLN HA 1 3 GLN HE22 . . 5.500 4.389 3.499 6.044 0.544 15 1 "[ . 1 + 2]" 1
12 1 3 GLN HA 1 3 GLN HG2 . . 3.540 2.914 2.153 3.655 0.115 13 0 "[ . 1 . 2]" 1
13 1 3 GLN HA 1 3 GLN HG3 . . 3.970 2.979 2.395 3.656 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLN HA 1 4 PHE H . . 3.310 3.243 2.789 3.399 0.089 18 0 "[ . 1 . 2]" 1
15 1 3 GLN HA 1 6 ALA MB . . 3.770 3.135 2.532 3.798 0.028 7 0 "[ . 1 . 2]" 1
16 1 3 GLN QB 1 4 PHE H . . 3.850 3.285 2.551 3.902 0.052 17 0 "[ . 1 . 2]" 1
17 1 3 GLN QB 1 4 PHE QE . . 4.610 4.674 4.500 4.720 0.110 19 0 "[ . 1 . 2]" 1
18 1 3 GLN HE21 1 74 MET ME . . 5.500 4.463 2.931 5.552 0.052 8 0 "[ . 1 . 2]" 1
19 1 3 GLN HE22 1 3 GLN HG2 . . 3.600 3.770 3.511 4.127 0.527 17 1 "[ . 1 . + 2]" 1
20 1 3 GLN HE22 1 74 MET ME . . 5.500 5.042 3.376 5.597 0.097 10 0 "[ . 1 . 2]" 1
21 1 3 GLN HG2 1 4 PHE H . . 5.480 5.244 4.161 6.030 0.550 17 3 "[ . 1 .*+ -2]" 1
22 1 4 PHE H 1 4 PHE HB2 . . 3.240 2.323 1.945 2.719 . 0 0 "[ . 1 . 2]" 1
23 1 4 PHE H 1 4 PHE HB3 . . 3.330 3.305 2.892 3.414 0.084 17 0 "[ . 1 . 2]" 1
24 1 4 PHE H 1 4 PHE QD . . 4.150 3.618 3.011 4.060 . 0 0 "[ . 1 . 2]" 1
25 1 4 PHE H 1 6 ALA H . . 4.700 3.231 2.639 3.842 . 0 0 "[ . 1 . 2]" 1
26 1 4 PHE H 1 6 ALA MB . . 5.500 4.093 3.631 4.651 . 0 0 "[ . 1 . 2]" 1
27 1 4 PHE H 1 7 GLU H . . 3.810 3.807 3.352 3.919 0.109 13 0 "[ . 1 . 2]" 1
28 1 4 PHE HA 1 4 PHE QD . . 3.710 2.514 2.169 2.964 . 0 0 "[ . 1 . 2]" 1
29 1 4 PHE HA 1 4 PHE QE . . 4.200 4.272 4.190 4.305 0.105 15 0 "[ . 1 . 2]" 1
30 1 4 PHE HA 1 5 LYS H . . 3.520 3.577 3.540 3.605 0.085 11 0 "[ . 1 . 2]" 1
31 1 4 PHE HA 1 6 ALA H . . 5.500 4.488 3.944 4.988 . 0 0 "[ . 1 . 2]" 1
32 1 4 PHE HA 1 7 GLU H . . 3.760 3.203 2.773 3.633 . 0 0 "[ . 1 . 2]" 1
33 1 4 PHE HA 1 7 GLU QB . . 3.550 2.142 1.977 2.415 . 0 0 "[ . 1 . 2]" 1
34 1 4 PHE HA 1 7 GLU QG . . 4.920 3.299 2.038 4.116 . 0 0 "[ . 1 . 2]" 1
35 1 4 PHE HA 1 8 ALA H . . 4.610 3.827 3.161 4.399 . 0 0 "[ . 1 . 2]" 1
36 1 4 PHE HB2 1 5 LYS H . . 4.100 2.829 2.606 3.233 . 0 0 "[ . 1 . 2]" 1
37 1 4 PHE HB2 1 7 GLU QB . . 4.610 4.710 4.695 4.720 0.110 3 0 "[ . 1 . 2]" 1
38 1 4 PHE HB3 1 5 LYS H . . 3.350 2.668 2.341 3.021 . 0 0 "[ . 1 . 2]" 1
39 1 4 PHE HB3 1 5 LYS QE . . 3.930 3.965 3.614 4.028 0.098 13 0 "[ . 1 . 2]" 1
40 1 4 PHE HB3 1 6 ALA H . . 5.500 5.053 4.752 5.458 . 0 0 "[ . 1 . 2]" 1
41 1 4 PHE HB3 1 7 GLU H . . 5.250 5.087 4.886 5.332 0.082 5 0 "[ . 1 . 2]" 1
42 1 4 PHE HB3 1 7 GLU QB . . 4.940 4.609 4.252 5.027 0.087 12 0 "[ . 1 . 2]" 1
43 1 4 PHE QD 1 5 LYS H . . 5.150 4.451 4.273 4.634 . 0 0 "[ . 1 . 2]" 1
44 1 4 PHE QD 1 5 LYS HA . . 5.380 5.400 5.052 5.484 0.104 4 0 "[ . 1 . 2]" 1
45 1 4 PHE QD 1 5 LYS QG . . 5.500 5.036 4.423 5.394 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS H 1 5 LYS QB . . 3.110 2.267 2.136 2.392 . 0 0 "[ . 1 . 2]" 1
47 1 5 LYS H 1 5 LYS QE . . 5.500 3.604 2.574 4.526 . 0 0 "[ . 1 . 2]" 1
48 1 5 LYS H 1 5 LYS QG . . 3.740 2.639 2.283 3.162 . 0 0 "[ . 1 . 2]" 1
49 1 5 LYS H 1 6 ALA H . . 3.290 2.743 2.420 3.085 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS H 1 81 LEU QD . . 5.500 4.509 4.041 5.190 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS HA 1 5 LYS QB . . 2.800 2.482 2.400 2.558 . 0 0 "[ . 1 . 2]" 1
52 1 5 LYS HA 1 5 LYS QG . . 3.540 2.506 2.239 2.708 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS HA 1 9 ARG H . . 4.870 4.523 3.831 4.939 0.069 12 0 "[ . 1 . 2]" 1
54 1 5 LYS QB 1 6 ALA H . . 3.350 2.640 2.374 3.169 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS QB 1 81 LEU QD . . 3.770 2.153 1.856 2.792 . 0 0 "[ . 1 . 2]" 1
56 1 5 LYS HD3 1 81 LEU QD . . 4.270 3.277 2.449 4.719 0.449 19 0 "[ . 1 . 2]" 1
57 1 5 LYS QE 1 5 LYS QG . . 3.280 2.160 1.997 2.387 . 0 0 "[ . 1 . 2]" 1
58 1 5 LYS QE 1 81 LEU QD . . 4.330 3.938 3.091 4.250 . 0 0 "[ . 1 . 2]" 1
59 1 6 ALA H 1 6 ALA MB . . 3.070 2.240 2.175 2.317 . 0 0 "[ . 1 . 2]" 1
60 1 6 ALA H 1 7 GLU H . . 3.120 2.669 2.430 2.822 . 0 0 "[ . 1 . 2]" 1
61 1 6 ALA H 1 7 GLU QG . . 5.500 5.264 4.609 5.599 0.099 16 0 "[ . 1 . 2]" 1
62 1 6 ALA H 1 8 ALA H . . 4.930 4.730 4.223 5.010 0.080 11 0 "[ . 1 . 2]" 1
63 1 6 ALA H 1 81 LEU QD . . 4.150 3.280 2.706 3.936 . 0 0 "[ . 1 . 2]" 1
64 1 6 ALA HA 1 9 ARG H . . 3.840 3.740 2.840 3.932 0.092 5 0 "[ . 1 . 2]" 1
65 1 6 ALA HA 1 9 ARG HB3 . . 3.460 3.076 2.711 3.526 0.066 10 0 "[ . 1 . 2]" 1
66 1 6 ALA HA 1 10 ARG H . . 4.690 3.999 3.447 4.673 . 0 0 "[ . 1 . 2]" 1
67 1 6 ALA HA 1 81 LEU QD . . 2.930 2.280 1.978 3.014 0.084 10 0 "[ . 1 . 2]" 1
68 1 6 ALA MB 1 7 GLU H . . 3.470 2.780 2.387 3.385 . 0 0 "[ . 1 . 2]" 1
69 1 6 ALA MB 1 7 GLU HA . . 4.720 3.841 3.596 4.220 . 0 0 "[ . 1 . 2]" 1
70 1 6 ALA MB 1 8 ALA H . . 4.980 4.979 4.748 5.097 0.117 10 0 "[ . 1 . 2]" 1
71 1 6 ALA MB 1 81 LEU QD . . 3.240 2.841 2.086 3.245 0.005 11 0 "[ . 1 . 2]" 1
72 1 7 GLU H 1 7 GLU QB . . 2.770 2.074 1.742 2.241 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLU H 1 7 GLU QG . . 3.380 3.076 2.584 3.502 0.122 10 0 "[ . 1 . 2]" 1
74 1 7 GLU H 1 8 ALA H . . 3.200 2.869 2.062 3.135 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLU H 1 9 ARG H . . 4.770 4.173 3.542 4.687 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLU HA 1 7 GLU QG . . 3.490 2.706 2.208 3.572 0.082 12 0 "[ . 1 . 2]" 1
77 1 7 GLU HA 1 10 ARG H . . 3.890 3.701 3.373 3.956 0.066 12 0 "[ . 1 . 2]" 1
78 1 7 GLU HA 1 10 ARG HB2 . . 3.120 3.469 2.700 4.012 0.892 11 8 "[- * * **+** . 2]" 1
79 1 7 GLU HA 1 10 ARG HB3 . . 4.400 3.142 2.631 3.871 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLU HA 1 10 ARG QD . . 4.900 4.581 3.988 4.990 0.090 2 0 "[ . 1 . 2]" 1
81 1 7 GLU HA 1 10 ARG HE . . 4.970 3.530 2.858 5.051 0.081 5 0 "[ . 1 . 2]" 1
82 1 7 GLU HA 1 11 ASN H . . 4.960 4.149 3.702 4.513 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLU QB 1 8 ALA H . . 3.220 2.648 1.983 3.301 0.081 12 0 "[ . 1 . 2]" 1
84 1 7 GLU QB 1 11 ASN HD22 . . 5.500 4.501 3.247 5.537 0.037 6 0 "[ . 1 . 2]" 1
85 1 7 GLU QG 1 8 ALA H . . 4.730 3.298 1.742 4.392 . 0 0 "[ . 1 . 2]" 1
86 1 8 ALA H 1 8 ALA MB . . 2.840 2.240 2.181 2.347 . 0 0 "[ . 1 . 2]" 1
87 1 8 ALA H 1 9 ARG H . . 3.060 2.850 2.477 3.095 0.035 8 0 "[ . 1 . 2]" 1
88 1 8 ALA H 1 10 ARG H . . 4.950 4.303 4.080 4.552 . 0 0 "[ . 1 . 2]" 1
89 1 8 ALA HA 1 11 ASN H . . 4.050 3.575 3.104 3.913 . 0 0 "[ . 1 . 2]" 1
90 1 8 ALA HA 1 11 ASN HB2 . . 3.530 2.879 2.264 3.269 . 0 0 "[ . 1 . 2]" 1
91 1 8 ALA HA 1 11 ASN HB3 . . 5.030 4.562 3.901 5.004 . 0 0 "[ . 1 . 2]" 1
92 1 8 ALA HA 1 11 ASN HD21 . . 4.150 3.646 2.673 4.222 0.072 13 0 "[ . 1 . 2]" 1
93 1 8 ALA HA 1 11 ASN HD22 . . 5.240 4.808 4.066 5.308 0.068 17 0 "[ . 1 . 2]" 1
94 1 8 ALA HA 1 37 VAL HA . . 4.820 4.332 3.636 4.878 0.058 12 0 "[ . 1 . 2]" 1
95 1 8 ALA HA 1 37 VAL MG1 . . 3.990 2.765 2.240 3.594 . 0 0 "[ . 1 . 2]" 1
96 1 8 ALA MB 1 9 ARG H . . 3.390 2.690 2.386 3.161 . 0 0 "[ . 1 . 2]" 1
97 1 8 ALA MB 1 11 ASN HB2 . . 5.500 4.307 3.768 4.735 . 0 0 "[ . 1 . 2]" 1
98 1 8 ALA MB 1 11 ASN HD21 . . 5.500 4.892 4.217 5.462 . 0 0 "[ . 1 . 2]" 1
99 1 8 ALA MB 1 37 VAL MG1 . . 3.660 2.692 2.138 3.443 . 0 0 "[ . 1 . 2]" 1
100 1 9 ARG H 1 9 ARG HB2 . . 3.090 2.473 2.139 2.761 . 0 0 "[ . 1 . 2]" 1
101 1 9 ARG H 1 9 ARG HB3 . . 3.090 2.667 2.520 3.119 0.029 3 0 "[ . 1 . 2]" 1
102 1 9 ARG H 1 9 ARG HD3 . . 5.440 4.696 4.413 4.911 . 0 0 "[ . 1 . 2]" 1
103 1 9 ARG H 1 10 ARG H . . 3.320 2.673 2.368 2.862 . 0 0 "[ . 1 . 2]" 1
104 1 9 ARG H 1 12 LYS H . . 4.710 4.680 4.518 4.774 0.064 6 0 "[ . 1 . 2]" 1
105 1 9 ARG HA 1 9 ARG HD2 . . 3.960 3.248 2.242 3.860 . 0 0 "[ . 1 . 2]" 1
106 1 9 ARG HA 1 9 ARG HD3 . . 3.370 2.305 2.157 2.651 . 0 0 "[ . 1 . 2]" 1
107 1 9 ARG HA 1 12 LYS H . . 3.770 3.382 3.147 3.703 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG HA 1 12 LYS HB2 . . 4.280 3.370 2.770 3.828 . 0 0 "[ . 1 . 2]" 1
109 1 9 ARG HA 1 12 LYS HB3 . . 3.980 2.515 2.217 2.928 . 0 0 "[ . 1 . 2]" 1
110 1 9 ARG HA 1 13 LEU H . . 4.590 3.746 3.512 3.900 . 0 0 "[ . 1 . 2]" 1
111 1 9 ARG HA 1 13 LEU QD . . 5.220 4.388 3.001 4.898 . 0 0 "[ . 1 . 2]" 1
112 1 9 ARG HB2 1 10 ARG H . . 4.370 3.966 3.463 4.193 . 0 0 "[ . 1 . 2]" 1
113 1 9 ARG HB2 1 81 LEU QD . . 4.460 2.975 2.116 4.415 . 0 0 "[ . 1 . 2]" 1
114 1 9 ARG HB3 1 10 ARG H . . 3.400 2.879 2.283 3.124 . 0 0 "[ . 1 . 2]" 1
115 1 9 ARG HB3 1 77 ALA HA . . 4.320 3.864 3.148 4.305 . 0 0 "[ . 1 . 2]" 1
116 1 9 ARG HB3 1 77 ALA MB . . 3.380 2.402 2.122 2.727 . 0 0 "[ . 1 . 2]" 1
117 1 9 ARG HB3 1 81 LEU QD . . 4.420 3.019 2.287 4.363 . 0 0 "[ . 1 . 2]" 1
118 1 9 ARG HD2 1 13 LEU QD . . 4.370 3.002 2.130 3.830 . 0 0 "[ . 1 . 2]" 1
119 1 9 ARG HD2 1 13 LEU HG . . 4.780 2.978 2.265 4.544 . 0 0 "[ . 1 . 2]" 1
120 1 9 ARG HD3 1 12 LYS HB3 . . 4.930 3.207 2.229 3.748 . 0 0 "[ . 1 . 2]" 1
121 1 9 ARG HD3 1 12 LYS QD . . 4.970 3.248 2.424 4.277 . 0 0 "[ . 1 . 2]" 1
122 1 9 ARG HD3 1 13 LEU H . . 4.990 4.338 3.020 5.058 0.068 2 0 "[ . 1 . 2]" 1
123 1 9 ARG HD3 1 13 LEU QD . . 4.810 3.715 2.064 4.363 . 0 0 "[ . 1 . 2]" 1
124 1 9 ARG HD3 1 13 LEU HG . . 4.040 3.519 2.318 4.129 0.089 19 0 "[ . 1 . 2]" 1
125 1 9 ARG QG 1 13 LEU QD . . 4.250 2.828 1.941 4.013 . 0 0 "[ . 1 . 2]" 1
126 1 9 ARG QG 1 13 LEU HG . . 4.300 3.231 2.354 4.388 0.088 19 0 "[ . 1 . 2]" 1
127 1 9 ARG QG 1 77 ALA HA . . 4.030 2.603 2.179 4.106 0.076 3 0 "[ . 1 . 2]" 1
128 1 10 ARG H 1 10 ARG HB2 . . 3.040 2.347 2.189 2.522 . 0 0 "[ . 1 . 2]" 1
129 1 10 ARG H 1 10 ARG HB3 . . 3.670 2.660 2.374 3.049 . 0 0 "[ . 1 . 2]" 1
130 1 10 ARG H 1 11 ASN H . . 3.360 2.784 2.488 3.017 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG H 1 12 LYS H . . 5.390 4.187 3.963 4.481 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG H 1 77 ALA MB . . 3.740 2.823 2.535 3.148 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG HA 1 10 ARG QD . . 4.630 3.957 3.262 4.213 . 0 0 "[ . 1 . 2]" 1
134 1 10 ARG HA 1 10 ARG HG2 . . 3.560 2.508 2.228 2.744 . 0 0 "[ . 1 . 2]" 1
135 1 10 ARG HA 1 10 ARG HG3 . . 4.250 3.023 2.583 3.654 . 0 0 "[ . 1 . 2]" 1
136 1 10 ARG HA 1 13 LEU H . . 4.220 3.879 3.673 4.052 . 0 0 "[ . 1 . 2]" 1
137 1 10 ARG HA 1 13 LEU HB2 . . 3.530 3.127 2.860 3.463 . 0 0 "[ . 1 . 2]" 1
138 1 10 ARG HA 1 13 LEU QD . . 3.560 3.242 2.732 3.578 0.018 14 0 "[ . 1 . 2]" 1
139 1 10 ARG HA 1 14 MET H . . 4.880 4.304 4.027 4.652 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG HA 1 73 LEU HB2 . . 4.910 4.951 4.727 4.995 0.085 18 0 "[ . 1 . 2]" 1
141 1 10 ARG HA 1 73 LEU HB3 . . 4.720 3.408 3.111 3.646 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG HA 1 74 MET HA . . 4.600 4.422 4.025 4.671 0.071 15 0 "[ . 1 . 2]" 1
143 1 10 ARG HA 1 77 ALA MB . . 3.400 2.097 1.939 2.338 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG HB2 1 10 ARG QD . . 3.770 3.333 3.081 3.593 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG HB2 1 11 ASN H . . 3.760 3.585 3.154 3.812 0.052 19 0 "[ . 1 . 2]" 1
146 1 10 ARG HB3 1 10 ARG HE . . 4.830 2.713 1.902 3.845 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG HB3 1 11 ASN H . . 4.700 2.309 2.177 2.442 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG QD 1 11 ASN H . . 4.970 3.855 3.098 4.719 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG QD 1 11 ASN HA . . 4.750 4.044 3.070 4.845 0.095 6 0 "[ . 1 . 2]" 1
150 1 10 ARG QD 1 70 TYR QE . . 3.230 2.731 2.310 3.252 0.022 15 0 "[ . 1 . 2]" 1
151 1 10 ARG QD 1 73 LEU HB2 . . 5.110 4.518 3.388 4.922 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG QD 1 74 MET HA . . 5.120 3.938 3.081 4.627 . 0 0 "[ . 1 . 2]" 1
153 1 10 ARG QD 1 74 MET ME . . 3.760 3.635 2.982 3.867 0.107 4 0 "[ . 1 . 2]" 1
154 1 10 ARG HE 1 73 LEU HB3 . . 5.500 5.489 5.075 5.585 0.085 11 0 "[ . 1 . 2]" 1
155 1 10 ARG HE 1 74 MET ME . . 4.410 3.179 1.996 4.317 . 0 0 "[ . 1 . 2]" 1
156 1 10 ARG HG2 1 73 LEU HB2 . . 3.820 3.836 3.637 3.896 0.076 20 0 "[ . 1 . 2]" 1
157 1 10 ARG HG2 1 74 MET HA . . 4.240 3.841 2.685 4.295 0.055 19 0 "[ . 1 . 2]" 1
158 1 10 ARG HG3 1 74 MET H . . 4.330 3.687 3.086 4.096 . 0 0 "[ . 1 . 2]" 1
159 1 10 ARG HG3 1 74 MET HA . . 4.290 2.433 2.206 2.740 . 0 0 "[ . 1 . 2]" 1
160 1 10 ARG HG3 1 74 MET ME . . 4.530 3.911 2.622 4.622 0.092 18 0 "[ . 1 . 2]" 1
161 1 11 ASN H 1 11 ASN HB2 . . 3.370 2.493 2.307 2.606 . 0 0 "[ . 1 . 2]" 1
162 1 11 ASN H 1 11 ASN HB3 . . 3.800 3.586 3.521 3.656 . 0 0 "[ . 1 . 2]" 1
163 1 11 ASN H 1 13 LEU H . . 5.500 4.529 4.342 4.846 . 0 0 "[ . 1 . 2]" 1
164 1 11 ASN H 1 37 VAL MG2 . . 5.500 4.193 3.874 4.630 . 0 0 "[ . 1 . 2]" 1
165 1 11 ASN HA 1 12 LYS HA . . 5.010 4.856 4.783 4.953 . 0 0 "[ . 1 . 2]" 1
166 1 11 ASN HA 1 14 MET H . . 3.960 3.464 3.174 3.748 . 0 0 "[ . 1 . 2]" 1
167 1 11 ASN HA 1 14 MET HB3 . . 3.620 2.910 2.134 3.639 0.019 8 0 "[ . 1 . 2]" 1
168 1 11 ASN HA 1 15 GLY H . . 4.770 4.259 3.661 4.762 . 0 0 "[ . 1 . 2]" 1
169 1 11 ASN HA 1 36 VAL QG . . 4.370 3.121 2.672 3.454 . 0 0 "[ . 1 . 2]" 1
170 1 11 ASN HA 1 70 TYR QE . . 3.460 2.478 2.183 2.982 . 0 0 "[ . 1 . 2]" 1
171 1 11 ASN HB2 1 12 LYS H . . 3.840 2.762 2.407 3.141 . 0 0 "[ . 1 . 2]" 1
172 1 11 ASN HB2 1 36 VAL QG . . 4.250 4.021 3.365 4.310 0.060 2 0 "[ . 1 . 2]" 1
173 1 11 ASN HB2 1 37 VAL HA . . 3.640 2.725 2.374 3.562 . 0 0 "[ . 1 . 2]" 1
174 1 11 ASN HB2 1 37 VAL MG2 . . 3.650 2.391 2.059 3.107 . 0 0 "[ . 1 . 2]" 1
175 1 11 ASN HB3 1 12 LYS H . . 4.290 3.649 3.347 3.863 . 0 0 "[ . 1 . 2]" 1
176 1 11 ASN HB3 1 36 VAL QG . . 3.650 2.630 2.124 2.985 . 0 0 "[ . 1 . 2]" 1
177 1 11 ASN HB3 1 37 VAL HA . . 3.370 2.421 2.084 3.140 . 0 0 "[ . 1 . 2]" 1
178 1 11 ASN HB3 1 37 VAL MG1 . . 5.050 3.997 3.287 4.504 . 0 0 "[ . 1 . 2]" 1
179 1 11 ASN HB3 1 37 VAL MG2 . . 3.740 2.782 2.279 3.713 . 0 0 "[ . 1 . 2]" 1
180 1 11 ASN HD21 1 37 VAL HA . . 4.360 3.033 1.982 4.176 . 0 0 "[ . 1 . 2]" 1
181 1 11 ASN HD21 1 37 VAL MG1 . . 4.940 3.617 2.629 4.531 . 0 0 "[ . 1 . 2]" 1
182 1 11 ASN HD21 1 37 VAL MG2 . . 5.040 4.081 3.559 4.950 . 0 0 "[ . 1 . 2]" 1
183 1 11 ASN HD21 1 40 ASP H . . 5.500 4.744 3.867 5.533 0.033 6 0 "[ . 1 . 2]" 1
184 1 11 ASN HD21 1 40 ASP HB2 . . 4.920 3.455 2.138 4.980 0.060 5 0 "[ . 1 . 2]" 1
185 1 11 ASN HD21 1 40 ASP HB3 . . 4.890 3.150 2.616 3.932 . 0 0 "[ . 1 . 2]" 1
186 1 11 ASN HD21 1 49 VAL MG2 . . 4.530 4.284 3.526 4.642 0.112 15 0 "[ . 1 . 2]" 1
187 1 11 ASN HD22 1 37 VAL HA . . 5.500 4.398 3.685 5.393 . 0 0 "[ . 1 . 2]" 1
188 1 11 ASN HD22 1 40 ASP HB2 . . 4.950 2.899 2.176 4.329 . 0 0 "[ . 1 . 2]" 1
189 1 11 ASN HD22 1 40 ASP HB3 . . 4.300 2.999 2.092 4.025 . 0 0 "[ . 1 . 2]" 1
190 1 11 ASN HD22 1 49 VAL MG2 . . 4.180 3.530 2.464 4.266 0.086 1 0 "[ . 1 . 2]" 1
191 1 12 LYS H 1 12 LYS HB2 . . 3.180 2.458 2.310 2.727 . 0 0 "[ . 1 . 2]" 1
192 1 12 LYS H 1 12 LYS HB3 . . 3.160 2.606 2.363 2.781 . 0 0 "[ . 1 . 2]" 1
193 1 12 LYS H 1 12 LYS HG3 . . 5.140 4.411 4.296 4.565 . 0 0 "[ . 1 . 2]" 1
194 1 12 LYS H 1 13 LEU H . . 3.350 2.937 2.827 3.151 . 0 0 "[ . 1 . 2]" 1
195 1 12 LYS H 1 14 MET H . . 4.710 4.378 4.088 4.613 . 0 0 "[ . 1 . 2]" 1
196 1 12 LYS H 1 37 VAL HA . . 5.260 4.784 4.267 5.315 0.055 11 0 "[ . 1 . 2]" 1
197 1 12 LYS H 1 37 VAL MG2 . . 3.490 2.669 2.352 3.133 . 0 0 "[ . 1 . 2]" 1
198 1 12 LYS HA 1 12 LYS QD . . 4.210 3.979 3.777 4.141 . 0 0 "[ . 1 . 2]" 1
199 1 12 LYS HA 1 12 LYS HG2 . . 3.910 3.115 2.836 3.470 . 0 0 "[ . 1 . 2]" 1
200 1 12 LYS HA 1 12 LYS HG3 . . 3.470 2.480 2.316 2.729 . 0 0 "[ . 1 . 2]" 1
201 1 12 LYS HA 1 37 VAL MG2 . . 3.210 2.589 2.113 3.069 . 0 0 "[ . 1 . 2]" 1
202 1 12 LYS HB2 1 13 LEU H . . 4.130 3.860 3.758 3.959 . 0 0 "[ . 1 . 2]" 1
203 1 12 LYS HB2 1 37 VAL MG2 . . 3.330 2.616 2.216 3.419 0.089 4 0 "[ . 1 . 2]" 1
204 1 12 LYS QD 1 16 LEU QD . . 4.440 3.836 3.075 4.356 . 0 0 "[ . 1 . 2]" 1
205 1 12 LYS QE 1 12 LYS HG3 . . 3.810 2.454 2.148 3.328 . 0 0 "[ . 1 . 2]" 1
206 1 12 LYS QE 1 16 LEU QD . . 4.120 2.976 2.033 3.693 . 0 0 "[ . 1 . 2]" 1
207 1 12 LYS HG2 1 13 LEU H . . 4.860 3.706 2.997 4.175 . 0 0 "[ . 1 . 2]" 1
208 1 12 LYS HG2 1 16 LEU H . . 5.170 4.725 4.154 5.245 0.075 14 0 "[ . 1 . 2]" 1
209 1 12 LYS HG2 1 16 LEU QD . . 3.870 2.687 2.108 3.203 . 0 0 "[ . 1 . 2]" 1
210 1 12 LYS HG3 1 13 LEU H . . 4.990 4.673 4.137 5.030 0.040 3 0 "[ . 1 . 2]" 1
211 1 12 LYS HG3 1 16 LEU QD . . 4.170 3.540 2.597 4.059 . 0 0 "[ . 1 . 2]" 1
212 1 13 LEU H 1 13 LEU HB3 . . 3.890 3.578 3.512 3.618 . 0 0 "[ . 1 . 2]" 1
213 1 13 LEU H 1 13 LEU QD . . 3.780 3.193 1.747 3.421 . 0 0 "[ . 1 . 2]" 1
214 1 13 LEU H 1 13 LEU HG . . 2.950 2.680 2.409 3.051 0.101 19 0 "[ . 1 . 2]" 1
215 1 13 LEU H 1 14 MET H . . 3.390 2.922 2.709 3.221 . 0 0 "[ . 1 . 2]" 1
216 1 13 LEU H 1 14 MET HB3 . . 5.500 5.092 4.665 5.491 . 0 0 "[ . 1 . 2]" 1
217 1 13 LEU H 1 37 VAL MG2 . . 5.500 4.870 4.510 5.412 . 0 0 "[ . 1 . 2]" 1
218 1 13 LEU HA 1 13 LEU QD . . 2.780 2.081 1.984 2.779 . 0 0 "[ . 1 . 2]" 1
219 1 13 LEU HA 1 13 LEU HG . . 4.100 2.922 2.168 3.366 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU HA 1 16 LEU H . . 3.800 3.395 3.141 3.703 . 0 0 "[ . 1 . 2]" 1
221 1 13 LEU HA 1 16 LEU QD . . 3.490 2.411 2.090 3.306 . 0 0 "[ . 1 . 2]" 1
222 1 13 LEU HA 1 16 LEU HG . . 5.170 4.034 3.524 5.238 0.068 14 0 "[ . 1 . 2]" 1
223 1 13 LEU HA 1 80 GLN HE22 . . 5.500 5.517 4.981 5.579 0.079 8 0 "[ . 1 . 2]" 1
224 1 13 LEU HB2 1 13 LEU QD . . 3.270 2.219 2.154 2.349 . 0 0 "[ . 1 . 2]" 1
225 1 13 LEU HB2 1 14 MET H . . 3.880 2.844 2.652 3.070 . 0 0 "[ . 1 . 2]" 1
226 1 13 LEU HB3 1 13 LEU QD . . 3.090 2.087 2.020 2.184 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU HB3 1 14 MET H . . 4.170 3.553 3.253 3.833 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU QD 1 14 MET H . . 5.330 4.204 3.902 4.346 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU QD 1 76 VAL HB . . 2.910 2.871 2.458 2.985 0.075 2 0 "[ . 1 . 2]" 1
230 1 13 LEU QD 1 77 ALA H . . 3.960 3.139 2.923 3.348 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU QD 1 77 ALA HA . . 3.400 2.072 1.939 2.277 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU QD 1 77 ALA MB . . 3.510 2.472 2.133 2.793 . 0 0 "[ . 1 . 2]" 1
233 1 13 LEU QD 1 78 LYS H . . 5.500 4.738 4.567 4.868 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU QD 1 80 GLN H . . 5.100 4.160 3.712 4.401 . 0 0 "[ . 1 . 2]" 1
235 1 13 LEU QD 1 80 GLN HB2 . . 5.370 3.104 2.188 3.486 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU QD 1 80 GLN HE21 . . 3.940 3.092 2.773 3.340 . 0 0 "[ . 1 . 2]" 1
237 1 13 LEU QD 1 80 GLN HE22 . . 3.480 2.149 1.914 2.632 . 0 0 "[ . 1 . 2]" 1
238 1 14 MET H 1 14 MET HB2 . . 3.200 2.390 2.269 2.561 . 0 0 "[ . 1 . 2]" 1
239 1 14 MET H 1 14 MET HB3 . . 3.250 2.510 2.282 2.812 . 0 0 "[ . 1 . 2]" 1
240 1 14 MET H 1 14 MET QG . . 4.720 3.948 3.833 4.023 . 0 0 "[ . 1 . 2]" 1
241 1 14 MET H 1 70 TYR QD . . 4.250 4.347 4.335 4.357 0.107 16 0 "[ . 1 . 2]" 1
242 1 14 MET H 1 70 TYR QE . . 4.990 4.714 4.274 5.029 0.039 16 0 "[ . 1 . 2]" 1
243 1 14 MET H 1 73 LEU MD2 . . 3.890 2.384 2.237 2.547 . 0 0 "[ . 1 . 2]" 1
244 1 14 MET HA 1 16 LEU H . . 4.980 4.417 4.065 4.789 . 0 0 "[ . 1 . 2]" 1
245 1 14 MET HA 1 17 TRP H . . 4.170 3.561 3.278 3.757 . 0 0 "[ . 1 . 2]" 1
246 1 14 MET HA 1 17 TRP HB2 . . 4.310 4.079 3.586 4.370 0.060 2 0 "[ . 1 . 2]" 1
247 1 14 MET HA 1 17 TRP HB3 . . 3.610 3.112 2.773 3.420 . 0 0 "[ . 1 . 2]" 1
248 1 14 MET HA 1 17 TRP HE3 . . 4.470 4.045 3.394 4.513 0.043 9 0 "[ . 1 . 2]" 1
249 1 14 MET HA 1 18 VAL MG2 . . 4.770 3.813 3.513 4.044 . 0 0 "[ . 1 . 2]" 1
250 1 14 MET HA 1 73 LEU MD2 . . 3.210 2.538 2.367 2.775 . 0 0 "[ . 1 . 2]" 1
251 1 14 MET HB2 1 15 GLY H . . 4.490 3.846 3.623 4.131 . 0 0 "[ . 1 . 2]" 1
252 1 14 MET HB2 1 70 TYR QD . . 3.090 2.180 2.058 2.281 . 0 0 "[ . 1 . 2]" 1
253 1 14 MET HB2 1 70 TYR QE . . 5.080 3.441 2.812 3.929 . 0 0 "[ . 1 . 2]" 1
254 1 14 MET HB2 1 73 LEU MD2 . . 4.210 2.498 2.285 2.915 . 0 0 "[ . 1 . 2]" 1
255 1 14 MET HB3 1 15 GLY H . . 3.540 2.529 2.395 2.842 . 0 0 "[ . 1 . 2]" 1
256 1 14 MET HB3 1 70 TYR QD . . 4.460 3.237 2.856 3.602 . 0 0 "[ . 1 . 2]" 1
257 1 14 MET HB3 1 70 TYR QE . . 3.810 3.638 3.223 3.880 0.070 16 0 "[ . 1 . 2]" 1
258 1 14 MET HB3 1 73 LEU MD2 . . 4.290 3.688 3.492 4.028 . 0 0 "[ . 1 . 2]" 1
259 1 14 MET ME 1 14 MET QG . . 3.250 2.154 2.041 2.447 . 0 0 "[ . 1 . 2]" 1
260 1 14 MET ME 1 17 TRP HE3 . . 3.230 2.878 2.068 3.301 0.071 2 0 "[ . 1 . 2]" 1
261 1 14 MET ME 1 17 TRP HZ3 . . 3.140 2.497 2.155 3.080 . 0 0 "[ . 1 . 2]" 1
262 1 14 MET ME 1 18 VAL MG2 . . 3.380 2.455 2.042 3.366 . 0 0 "[ . 1 . 2]" 1
263 1 14 MET ME 1 53 VAL QG . . 3.050 2.194 1.903 2.550 . 0 0 "[ . 1 . 2]" 1
264 1 14 MET ME 1 66 VAL HA . . 3.660 2.953 2.534 3.516 . 0 0 "[ . 1 . 2]" 1
265 1 14 MET ME 1 66 VAL MG1 . . 2.830 2.080 1.865 2.658 . 0 0 "[ . 1 . 2]" 1
266 1 14 MET ME 1 69 LYS H . . 5.500 4.439 4.085 4.799 . 0 0 "[ . 1 . 2]" 1
267 1 14 MET ME 1 69 LYS HB2 . . 4.970 3.807 3.266 4.325 . 0 0 "[ . 1 . 2]" 1
268 1 14 MET ME 1 69 LYS HB3 . . 2.790 2.536 2.234 2.881 0.091 13 0 "[ . 1 . 2]" 1
269 1 14 MET ME 1 69 LYS HG2 . . 4.500 3.632 2.713 4.277 . 0 0 "[ . 1 . 2]" 1
270 1 14 MET ME 1 69 LYS HG3 . . 5.350 4.290 3.374 4.826 . 0 0 "[ . 1 . 2]" 1
271 1 14 MET ME 1 70 TYR H . . 3.950 3.057 2.573 3.396 . 0 0 "[ . 1 . 2]" 1
272 1 14 MET ME 1 70 TYR HA . . 3.990 3.631 3.056 3.875 . 0 0 "[ . 1 . 2]" 1
273 1 14 MET ME 1 70 TYR HB2 . . 3.240 2.186 1.955 2.892 . 0 0 "[ . 1 . 2]" 1
274 1 14 MET ME 1 70 TYR HB3 . . 4.250 3.563 3.346 4.231 . 0 0 "[ . 1 . 2]" 1
275 1 14 MET ME 1 70 TYR QD . . 3.340 3.375 2.986 3.460 0.120 17 0 "[ . 1 . 2]" 1
276 1 14 MET QG 1 15 GLY H . . 4.810 3.545 3.122 4.063 . 0 0 "[ . 1 . 2]" 1
277 1 14 MET QG 1 18 VAL MG2 . . 4.130 2.429 2.213 2.887 . 0 0 "[ . 1 . 2]" 1
278 1 14 MET QG 1 53 VAL QG . . 4.660 2.875 2.125 3.905 . 0 0 "[ . 1 . 2]" 1
279 1 14 MET QG 1 70 TYR QD . . 2.680 2.414 2.160 2.707 0.027 15 0 "[ . 1 . 2]" 1
280 1 14 MET QG 1 70 TYR QE . . 4.990 3.806 3.272 4.431 . 0 0 "[ . 1 . 2]" 1
281 1 14 MET QG 1 73 LEU MD2 . . 5.350 3.792 2.972 4.342 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLY H 1 16 LEU H . . 3.580 2.940 2.840 3.138 . 0 0 "[ . 1 . 2]" 1
283 1 15 GLY H 1 17 TRP H . . 5.200 4.444 4.176 4.668 . 0 0 "[ . 1 . 2]" 1
284 1 15 GLY H 1 18 VAL MG2 . . 5.500 4.333 3.769 4.776 . 0 0 "[ . 1 . 2]" 1
285 1 15 GLY H 1 32 TYR QD . . 5.500 5.127 4.875 5.491 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLY H 1 33 ALA HA . . 4.230 4.006 3.817 4.299 0.069 14 0 "[ . 1 . 2]" 1
287 1 15 GLY H 1 33 ALA MB . . 4.710 3.959 3.442 4.319 . 0 0 "[ . 1 . 2]" 1
288 1 15 GLY H 1 36 VAL HB . . 4.670 3.747 3.001 4.705 0.035 18 0 "[ . 1 . 2]" 1
289 1 15 GLY H 1 36 VAL QG . . 3.800 2.613 2.234 2.985 . 0 0 "[ . 1 . 2]" 1
290 1 15 GLY H 1 37 VAL MG2 . . 5.500 4.767 4.318 5.231 . 0 0 "[ . 1 . 2]" 1
291 1 15 GLY HA2 1 18 VAL H . . 4.480 3.354 2.864 3.631 . 0 0 "[ . 1 . 2]" 1
292 1 15 GLY HA2 1 18 VAL HA . . 5.500 5.240 4.651 5.551 0.051 6 0 "[ . 1 . 2]" 1
293 1 15 GLY HA2 1 18 VAL HB . . 3.980 2.478 2.127 2.819 . 0 0 "[ . 1 . 2]" 1
294 1 15 GLY HA2 1 18 VAL MG2 . . 4.020 2.956 2.213 3.576 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLY HA2 1 32 TYR QD . . 4.840 3.010 2.607 3.394 . 0 0 "[ . 1 . 2]" 1
296 1 15 GLY HA2 1 32 TYR QE . . 3.090 2.329 2.037 2.816 . 0 0 "[ . 1 . 2]" 1
297 1 15 GLY HA2 1 33 ALA MB . . 4.470 4.328 3.781 4.576 0.106 14 0 "[ . 1 . 2]" 1
298 1 15 GLY HA2 1 36 VAL HB . . 4.230 3.850 3.019 4.286 0.056 8 0 "[ . 1 . 2]" 1
299 1 15 GLY HA2 1 36 VAL QG . . 3.920 2.315 1.993 2.782 . 0 0 "[ . 1 . 2]" 1
300 1 15 GLY HA3 1 18 VAL HB . . 4.370 4.088 3.560 4.433 0.063 6 0 "[ . 1 . 2]" 1
301 1 15 GLY HA3 1 18 VAL MG2 . . 5.180 4.393 3.606 4.984 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLY HA3 1 32 TYR QD . . 5.020 2.937 2.588 3.392 . 0 0 "[ . 1 . 2]" 1
303 1 15 GLY HA3 1 32 TYR QE . . 3.600 3.370 2.524 3.687 0.087 16 0 "[ . 1 . 2]" 1
304 1 15 GLY HA3 1 33 ALA MB . . 4.380 2.991 2.466 3.237 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLY HA3 1 36 VAL HB . . 3.350 3.121 2.625 3.442 0.092 17 0 "[ . 1 . 2]" 1
306 1 15 GLY HA3 1 36 VAL QG . . 3.230 2.399 1.891 2.764 . 0 0 "[ . 1 . 2]" 1
307 1 16 LEU H 1 16 LEU HB2 . . 3.150 2.322 2.134 2.412 . 0 0 "[ . 1 . 2]" 1
308 1 16 LEU H 1 16 LEU HB3 . . 3.480 3.545 3.453 3.559 0.079 19 0 "[ . 1 . 2]" 1
309 1 16 LEU H 1 16 LEU QD . . 3.810 2.800 2.056 3.257 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU H 1 17 TRP H . . 3.250 2.763 2.595 2.892 . 0 0 "[ . 1 . 2]" 1
311 1 16 LEU H 1 17 TRP HB2 . . 5.500 5.367 5.182 5.553 0.053 17 0 "[ . 1 . 2]" 1
312 1 16 LEU H 1 33 ALA HA . . 4.700 4.357 3.922 4.760 0.060 2 0 "[ . 1 . 2]" 1
313 1 16 LEU H 1 33 ALA MB . . 3.660 3.145 2.623 3.620 . 0 0 "[ . 1 . 2]" 1
314 1 16 LEU H 1 36 VAL QG . . 5.500 4.476 4.063 4.756 . 0 0 "[ . 1 . 2]" 1
315 1 16 LEU HA 1 16 LEU QD . . 2.760 2.097 2.033 2.270 . 0 0 "[ . 1 . 2]" 1
316 1 16 LEU HA 1 16 LEU HG . . 3.620 3.145 2.502 3.684 0.064 15 0 "[ . 1 . 2]" 1
317 1 16 LEU HA 1 18 VAL H . . 4.770 4.663 4.428 4.834 0.064 19 0 "[ . 1 . 2]" 1
318 1 16 LEU HA 1 19 ALA H . . 4.040 3.636 3.333 3.983 . 0 0 "[ . 1 . 2]" 1
319 1 16 LEU HA 1 19 ALA MB . . 3.020 2.627 2.403 3.075 0.055 17 0 "[ . 1 . 2]" 1
320 1 16 LEU HA 1 20 GLU H . . 4.500 4.157 3.947 4.488 . 0 0 "[ . 1 . 2]" 1
321 1 16 LEU HA 1 29 ALA MB . . 4.390 3.243 2.797 3.841 . 0 0 "[ . 1 . 2]" 1
322 1 16 LEU HA 1 33 ALA H . . 5.350 5.004 4.635 5.414 0.064 14 0 "[ . 1 . 2]" 1
323 1 16 LEU HA 1 33 ALA MB . . 3.990 3.421 2.901 4.018 0.028 2 0 "[ . 1 . 2]" 1
324 1 16 LEU HB2 1 16 LEU QD . . 3.090 2.253 2.176 2.328 . 0 0 "[ . 1 . 2]" 1
325 1 16 LEU HB2 1 17 TRP H . . 3.570 2.819 2.486 3.218 . 0 0 "[ . 1 . 2]" 1
326 1 16 LEU HB3 1 17 TRP H . . 3.860 3.495 3.282 3.764 . 0 0 "[ . 1 . 2]" 1
327 1 16 LEU QD 1 17 TRP H . . 4.880 4.114 3.926 4.299 . 0 0 "[ . 1 . 2]" 1
328 1 16 LEU QD 1 19 ALA MB . . 3.940 3.368 3.108 3.954 0.014 17 0 "[ . 1 . 2]" 1
329 1 16 LEU QD 1 29 ALA MB . . 3.370 2.552 1.970 3.376 0.006 14 0 "[ . 1 . 2]" 1
330 1 16 LEU QD 1 30 ASN H . . 4.820 4.164 3.424 4.766 . 0 0 "[ . 1 . 2]" 1
331 1 16 LEU QD 1 30 ASN HA . . 3.220 2.836 2.391 3.261 0.041 13 0 "[ . 1 . 2]" 1
332 1 16 LEU QD 1 30 ASN QB . . 5.220 4.067 3.080 4.578 . 0 0 "[ . 1 . 2]" 1
333 1 16 LEU QD 1 30 ASN HD22 . . 5.500 4.328 3.014 6.356 0.856 19 2 "[ . 1 - +2]" 1
334 1 16 LEU QD 1 33 ALA H . . 4.790 3.945 3.549 4.719 . 0 0 "[ . 1 . 2]" 1
335 1 16 LEU QD 1 33 ALA MB . . 3.310 2.360 1.909 3.153 . 0 0 "[ . 1 . 2]" 1
336 1 16 LEU HG 1 17 TRP H . . 5.160 4.919 4.547 5.227 0.067 19 0 "[ . 1 . 2]" 1
337 1 16 LEU HG 1 30 ASN HA . . 5.500 4.879 3.920 5.554 0.054 5 0 "[ . 1 . 2]" 1
338 1 17 TRP H 1 17 TRP HB2 . . 3.240 2.716 2.582 2.818 . 0 0 "[ . 1 . 2]" 1
339 1 17 TRP H 1 17 TRP HB3 . . 3.160 2.431 2.371 2.524 . 0 0 "[ . 1 . 2]" 1
340 1 17 TRP H 1 17 TRP HD1 . . 5.190 5.083 4.961 5.190 0.000 14 0 "[ . 1 . 2]" 1
341 1 17 TRP H 1 18 VAL H . . 3.160 2.668 2.517 2.821 . 0 0 "[ . 1 . 2]" 1
342 1 17 TRP H 1 18 VAL HA . . 5.500 5.285 5.163 5.435 . 0 0 "[ . 1 . 2]" 1
343 1 17 TRP H 1 18 VAL HB . . 5.080 4.783 4.548 5.056 . 0 0 "[ . 1 . 2]" 1
344 1 17 TRP H 1 19 ALA H . . 5.440 4.257 4.043 4.501 . 0 0 "[ . 1 . 2]" 1
345 1 17 TRP HA 1 17 TRP HD1 . . 3.040 2.862 2.663 3.089 0.049 17 0 "[ . 1 . 2]" 1
346 1 17 TRP HA 1 17 TRP HE1 . . 5.270 4.953 4.797 5.153 . 0 0 "[ . 1 . 2]" 1
347 1 17 TRP HA 1 20 GLU H . . 3.840 3.565 3.365 3.883 0.043 2 0 "[ . 1 . 2]" 1
348 1 17 TRP HA 1 20 GLU HB2 . . 4.300 4.019 3.706 4.357 0.057 2 0 "[ . 1 . 2]" 1
349 1 17 TRP HA 1 20 GLU HB3 . . 4.100 2.737 2.356 3.106 . 0 0 "[ . 1 . 2]" 1
350 1 17 TRP HA 1 20 GLU HG2 . . 4.910 4.601 3.976 4.983 0.073 13 0 "[ . 1 . 2]" 1
351 1 17 TRP HA 1 21 VAL H . . 5.200 4.235 3.884 4.555 . 0 0 "[ . 1 . 2]" 1
352 1 17 TRP HB2 1 17 TRP HD1 . . 3.260 2.824 2.718 2.909 . 0 0 "[ . 1 . 2]" 1
353 1 17 TRP HB2 1 17 TRP HE3 . . 4.190 4.031 3.983 4.107 . 0 0 "[ . 1 . 2]" 1
354 1 17 TRP HB2 1 18 VAL H . . 3.930 3.925 3.771 3.985 0.055 12 0 "[ . 1 . 2]" 1
355 1 17 TRP HB2 1 18 VAL MG2 . . 4.950 4.763 4.598 4.923 . 0 0 "[ . 1 . 2]" 1
356 1 17 TRP HB2 1 69 LYS HE3 . . 5.190 3.337 2.465 5.254 0.064 2 0 "[ . 1 . 2]" 1
357 1 17 TRP HB2 1 73 LEU MD2 . . 4.620 4.612 4.192 4.714 0.094 14 0 "[ . 1 . 2]" 1
358 1 17 TRP HB3 1 17 TRP HD1 . . 3.840 3.871 3.833 3.902 0.062 14 0 "[ . 1 . 2]" 1
359 1 17 TRP HB3 1 17 TRP HE3 . . 3.100 2.520 2.460 2.581 . 0 0 "[ . 1 . 2]" 1
360 1 17 TRP HB3 1 18 VAL H . . 3.430 2.553 2.352 2.647 . 0 0 "[ . 1 . 2]" 1
361 1 17 TRP HB3 1 18 VAL MG2 . . 4.200 3.218 3.027 3.392 . 0 0 "[ . 1 . 2]" 1
362 1 17 TRP HB3 1 73 LEU MD2 . . 4.920 4.480 4.103 4.706 . 0 0 "[ . 1 . 2]" 1
363 1 17 TRP HD1 1 20 GLU HB3 . . 5.010 4.352 3.905 4.907 . 0 0 "[ . 1 . 2]" 1
364 1 17 TRP HD1 1 21 VAL MG2 . . 4.050 3.722 3.306 4.062 0.012 5 0 "[ . 1 . 2]" 1
365 1 17 TRP HD1 1 69 LYS QD . . 4.400 4.084 3.080 4.317 . 0 0 "[ . 1 . 2]" 1
366 1 17 TRP HD1 1 69 LYS HE2 . . 4.840 3.465 2.670 4.886 0.046 8 0 "[ . 1 . 2]" 1
367 1 17 TRP HD1 1 69 LYS HE3 . . 3.910 3.322 2.716 4.132 0.222 13 0 "[ . 1 . 2]" 1
368 1 17 TRP HE1 1 21 VAL MG2 . . 4.460 2.992 2.582 3.366 . 0 0 "[ . 1 . 2]" 1
369 1 17 TRP HE1 1 69 LYS QD . . 5.060 3.569 3.173 4.208 . 0 0 "[ . 1 . 2]" 1
370 1 17 TRP HE1 1 69 LYS HE2 . . 4.750 3.377 2.967 3.886 . 0 0 "[ . 1 . 2]" 1
371 1 17 TRP HE1 1 69 LYS HE3 . . 4.470 3.798 2.809 4.823 0.353 13 0 "[ . 1 . 2]" 1
372 1 17 TRP HE1 1 69 LYS HG2 . . 5.500 4.818 4.440 5.198 . 0 0 "[ . 1 . 2]" 1
373 1 17 TRP HE3 1 18 VAL H . . 3.560 3.150 2.978 3.342 . 0 0 "[ . 1 . 2]" 1
374 1 17 TRP HE3 1 18 VAL HA . . 3.760 3.543 3.177 3.757 . 0 0 "[ . 1 . 2]" 1
375 1 17 TRP HE3 1 18 VAL HB . . 4.650 4.610 4.354 4.725 0.075 12 0 "[ . 1 . 2]" 1
376 1 17 TRP HE3 1 18 VAL MG2 . . 2.740 2.181 2.029 2.312 . 0 0 "[ . 1 . 2]" 1
377 1 17 TRP HE3 1 21 VAL HB . . 5.500 5.396 4.917 5.568 0.068 8 0 "[ . 1 . 2]" 1
378 1 17 TRP HE3 1 21 VAL MG2 . . 4.280 4.236 3.961 4.361 0.081 15 0 "[ . 1 . 2]" 1
379 1 17 TRP HE3 1 69 LYS QD . . 4.710 4.406 4.124 4.582 . 0 0 "[ . 1 . 2]" 1
380 1 17 TRP HE3 1 69 LYS HG2 . . 3.950 2.803 2.611 2.913 . 0 0 "[ . 1 . 2]" 1
381 1 17 TRP HE3 1 69 LYS HG3 . . 4.280 4.318 4.088 4.360 0.080 10 0 "[ . 1 . 2]" 1
382 1 17 TRP HH2 1 21 VAL MG1 . . 5.010 4.278 3.902 4.707 . 0 0 "[ . 1 . 2]" 1
383 1 17 TRP HH2 1 21 VAL MG2 . . 4.270 3.756 3.161 4.031 . 0 0 "[ . 1 . 2]" 1
384 1 17 TRP HH2 1 61 ARG QB . . 4.210 3.043 2.494 3.419 . 0 0 "[ . 1 . 2]" 1
385 1 17 TRP HH2 1 61 ARG HG2 . . 5.030 4.819 3.902 5.102 0.072 13 0 "[ . 1 . 2]" 1
386 1 17 TRP HH2 1 61 ARG HG3 . . 3.900 3.310 2.563 3.717 . 0 0 "[ . 1 . 2]" 1
387 1 17 TRP HH2 1 65 GLU HG2 . . 3.850 3.074 2.547 3.913 0.063 8 0 "[ . 1 . 2]" 1
388 1 17 TRP HH2 1 66 VAL HA . . 3.350 2.781 2.372 3.200 . 0 0 "[ . 1 . 2]" 1
389 1 17 TRP HH2 1 66 VAL MG1 . . 4.040 3.850 3.593 4.096 0.056 20 0 "[ . 1 . 2]" 1
390 1 17 TRP HH2 1 66 VAL MG2 . . 3.150 2.304 2.174 2.539 . 0 0 "[ . 1 . 2]" 1
391 1 17 TRP HH2 1 69 LYS HG2 . . 5.210 4.730 4.433 4.979 . 0 0 "[ . 1 . 2]" 1
392 1 17 TRP HZ2 1 21 VAL MG1 . . 4.430 4.218 3.992 4.502 0.072 5 0 "[ . 1 . 2]" 1
393 1 17 TRP HZ2 1 21 VAL MG2 . . 3.560 2.937 2.465 3.157 . 0 0 "[ . 1 . 2]" 1
394 1 17 TRP HZ2 1 61 ARG HD2 . . 4.470 4.131 2.881 4.528 0.058 7 0 "[ . 1 . 2]" 1
395 1 17 TRP HZ2 1 61 ARG HG3 . . 4.050 3.158 2.483 3.609 . 0 0 "[ . 1 . 2]" 1
396 1 17 TRP HZ2 1 65 GLU HG2 . . 4.170 2.989 2.404 4.222 0.052 18 0 "[ . 1 . 2]" 1
397 1 17 TRP HZ2 1 66 VAL MG2 . . 4.420 4.368 4.208 4.497 0.077 10 0 "[ . 1 . 2]" 1
398 1 17 TRP HZ2 1 69 LYS QD . . 5.500 3.716 3.222 4.793 . 0 0 "[ . 1 . 2]" 1
399 1 17 TRP HZ2 1 69 LYS HG2 . . 4.750 4.763 4.518 4.825 0.075 18 0 "[ . 1 . 2]" 1
400 1 17 TRP HZ3 1 18 VAL MG2 . . 3.350 2.881 2.466 3.163 . 0 0 "[ . 1 . 2]" 1
401 1 17 TRP HZ3 1 21 VAL MG2 . . 4.390 4.369 4.003 4.478 0.088 4 0 "[ . 1 . 2]" 1
402 1 17 TRP HZ3 1 57 LEU MD1 . . 4.050 3.436 2.864 3.859 . 0 0 "[ . 1 . 2]" 1
403 1 17 TRP HZ3 1 57 LEU MD2 . . 5.000 4.565 3.690 5.078 0.078 1 0 "[ . 1 . 2]" 1
404 1 17 TRP HZ3 1 66 VAL HA . . 3.460 2.608 2.335 2.984 . 0 0 "[ . 1 . 2]" 1
405 1 17 TRP HZ3 1 66 VAL MG1 . . 2.960 2.440 2.127 2.769 . 0 0 "[ . 1 . 2]" 1
406 1 17 TRP HZ3 1 66 VAL MG2 . . 3.260 2.522 2.232 2.946 . 0 0 "[ . 1 . 2]" 1
407 1 17 TRP HZ3 1 69 LYS HB2 . . 4.880 4.087 3.506 4.583 . 0 0 "[ . 1 . 2]" 1
408 1 17 TRP HZ3 1 69 LYS HG2 . . 5.200 3.859 3.413 4.165 . 0 0 "[ . 1 . 2]" 1
409 1 18 VAL H 1 18 VAL HB . . 3.120 2.487 2.285 2.669 . 0 0 "[ . 1 . 2]" 1
410 1 18 VAL H 1 18 VAL MG1 . . 4.010 3.761 3.675 3.799 . 0 0 "[ . 1 . 2]" 1
411 1 18 VAL H 1 18 VAL MG2 . . 3.060 2.071 1.941 2.220 . 0 0 "[ . 1 . 2]" 1
412 1 18 VAL H 1 19 ALA H . . 3.380 2.866 2.728 3.010 . 0 0 "[ . 1 . 2]" 1
413 1 18 VAL H 1 20 GLU H . . 5.040 4.310 4.055 4.455 . 0 0 "[ . 1 . 2]" 1
414 1 18 VAL H 1 32 TYR QE . . 4.650 4.470 4.222 4.733 0.083 16 0 "[ . 1 . 2]" 1
415 1 18 VAL H 1 53 VAL QG . . 5.500 4.695 4.370 5.178 . 0 0 "[ . 1 . 2]" 1
416 1 18 VAL HA 1 18 VAL MG1 . . 3.270 2.446 2.360 2.552 . 0 0 "[ . 1 . 2]" 1
417 1 18 VAL HA 1 18 VAL MG2 . . 3.210 2.480 2.344 2.616 . 0 0 "[ . 1 . 2]" 1
418 1 18 VAL HA 1 20 GLU H . . 4.990 4.466 4.261 4.632 . 0 0 "[ . 1 . 2]" 1
419 1 18 VAL HA 1 21 VAL H . . 3.650 3.339 3.151 3.609 . 0 0 "[ . 1 . 2]" 1
420 1 18 VAL HA 1 21 VAL HB . . 3.250 2.520 2.378 2.850 . 0 0 "[ . 1 . 2]" 1
421 1 18 VAL HA 1 21 VAL MG1 . . 4.710 3.857 3.619 4.209 . 0 0 "[ . 1 . 2]" 1
422 1 18 VAL HA 1 21 VAL MG2 . . 3.630 3.120 2.682 3.346 . 0 0 "[ . 1 . 2]" 1
423 1 18 VAL HA 1 22 LEU H . . 4.820 4.184 3.954 4.379 . 0 0 "[ . 1 . 2]" 1
424 1 18 VAL HA 1 57 LEU MD1 . . 4.830 4.377 3.801 4.802 . 0 0 "[ . 1 . 2]" 1
425 1 18 VAL HA 1 57 LEU MD2 . . 3.850 3.236 2.735 3.434 . 0 0 "[ . 1 . 2]" 1
426 1 18 VAL HB 1 19 ALA H . . 3.380 2.535 2.204 2.834 . 0 0 "[ . 1 . 2]" 1
427 1 18 VAL HB 1 32 TYR QD . . 3.940 3.662 3.421 3.923 . 0 0 "[ . 1 . 2]" 1
428 1 18 VAL HB 1 32 TYR QE . . 2.710 2.275 2.084 2.534 . 0 0 "[ . 1 . 2]" 1
429 1 18 VAL HB 1 57 LEU MD2 . . 4.960 4.911 4.545 5.060 0.100 12 0 "[ . 1 . 2]" 1
430 1 18 VAL MG1 1 19 ALA H . . 4.120 3.381 3.140 3.577 . 0 0 "[ . 1 . 2]" 1
431 1 18 VAL MG1 1 19 ALA HA . . 4.910 3.595 3.254 3.812 . 0 0 "[ . 1 . 2]" 1
432 1 18 VAL MG1 1 20 GLU H . . 5.500 5.134 4.956 5.274 . 0 0 "[ . 1 . 2]" 1
433 1 18 VAL MG1 1 21 VAL H . . 5.500 4.651 4.462 4.896 . 0 0 "[ . 1 . 2]" 1
434 1 18 VAL MG1 1 21 VAL HB . . 4.710 3.632 3.327 3.940 . 0 0 "[ . 1 . 2]" 1
435 1 18 VAL MG1 1 22 LEU H . . 5.070 4.052 3.881 4.184 . 0 0 "[ . 1 . 2]" 1
436 1 18 VAL MG1 1 22 LEU QD . . 3.330 2.264 1.980 3.048 . 0 0 "[ . 1 . 2]" 1
437 1 18 VAL MG1 1 22 LEU HG . . 5.100 3.678 2.770 4.814 . 0 0 "[ . 1 . 2]" 1
438 1 18 VAL MG1 1 32 TYR QD . . 4.440 4.045 3.738 4.309 . 0 0 "[ . 1 . 2]" 1
439 1 18 VAL MG1 1 32 TYR QE . . 2.740 2.603 2.115 2.857 0.117 18 0 "[ . 1 . 2]" 1
440 1 18 VAL MG1 1 53 VAL HA . . 4.330 3.458 2.776 3.791 . 0 0 "[ . 1 . 2]" 1
441 1 18 VAL MG1 1 56 ASP HB2 . . 4.910 3.965 3.295 4.442 . 0 0 "[ . 1 . 2]" 1
442 1 18 VAL MG1 1 56 ASP HB3 . . 5.010 3.823 3.334 4.255 . 0 0 "[ . 1 . 2]" 1
443 1 18 VAL MG1 1 57 LEU MD2 . . 3.150 2.391 2.113 2.567 . 0 0 "[ . 1 . 2]" 1
444 1 18 VAL MG1 1 57 LEU HG . . 3.550 2.600 2.268 3.180 . 0 0 "[ . 1 . 2]" 1
445 1 18 VAL MG2 1 19 ALA H . . 4.340 3.898 3.675 4.078 . 0 0 "[ . 1 . 2]" 1
446 1 18 VAL MG2 1 32 TYR QE . . 3.390 3.165 2.780 3.485 0.095 6 0 "[ . 1 . 2]" 1
447 1 18 VAL MG2 1 53 VAL HA . . 4.330 4.260 3.824 4.436 0.106 8 0 "[ . 1 . 2]" 1
448 1 18 VAL MG2 1 53 VAL HB . . 3.810 3.371 2.223 3.930 0.120 3 0 "[ . 1 . 2]" 1
449 1 18 VAL MG2 1 53 VAL QG . . 3.140 1.986 1.779 2.500 . 0 0 "[ . 1 . 2]" 1
450 1 18 VAL MG2 1 57 LEU MD2 . . 4.060 3.603 3.015 4.050 . 0 0 "[ . 1 . 2]" 1
451 1 18 VAL MG2 1 57 LEU HG . . 4.270 3.808 3.089 4.159 . 0 0 "[ . 1 . 2]" 1
452 1 19 ALA H 1 19 ALA MB . . 3.010 2.177 2.134 2.206 . 0 0 "[ . 1 . 2]" 1
453 1 19 ALA H 1 20 GLU H . . 3.410 2.899 2.791 2.991 . 0 0 "[ . 1 . 2]" 1
454 1 19 ALA H 1 20 GLU HA . . 5.470 5.489 5.442 5.530 0.060 14 0 "[ . 1 . 2]" 1
455 1 19 ALA H 1 21 VAL H . . 4.860 4.281 4.132 4.442 . 0 0 "[ . 1 . 2]" 1
456 1 19 ALA H 1 22 LEU QD . . 5.500 4.172 3.770 4.947 . 0 0 "[ . 1 . 2]" 1
457 1 19 ALA H 1 32 TYR QD . . 3.470 3.446 3.219 3.540 0.070 18 0 "[ . 1 . 2]" 1
458 1 19 ALA H 1 32 TYR QE . . 3.720 3.762 3.450 3.818 0.098 14 0 "[ . 1 . 2]" 1
459 1 19 ALA HA 1 22 LEU H . . 4.000 3.337 3.181 3.580 . 0 0 "[ . 1 . 2]" 1
460 1 19 ALA HA 1 22 LEU HB2 . . 3.890 2.464 2.236 2.656 . 0 0 "[ . 1 . 2]" 1
461 1 19 ALA HA 1 22 LEU HB3 . . 4.150 3.993 3.618 4.224 0.074 20 0 "[ . 1 . 2]" 1
462 1 19 ALA HA 1 22 LEU QD . . 3.800 2.726 2.221 3.311 . 0 0 "[ . 1 . 2]" 1
463 1 19 ALA HA 1 24 LYS H . . 4.310 3.785 3.588 4.052 . 0 0 "[ . 1 . 2]" 1
464 1 19 ALA HA 1 24 LYS HB2 . . 4.860 2.872 2.442 3.244 . 0 0 "[ . 1 . 2]" 1
465 1 19 ALA HA 1 24 LYS HD2 . . 3.700 2.393 2.113 2.939 . 0 0 "[ . 1 . 2]" 1
466 1 19 ALA HA 1 24 LYS HG3 . . 5.070 3.611 3.116 4.025 . 0 0 "[ . 1 . 2]" 1
467 1 19 ALA HA 1 32 TYR QD . . 4.520 4.138 3.888 4.407 . 0 0 "[ . 1 . 2]" 1
468 1 19 ALA HA 1 32 TYR QE . . 5.130 4.654 4.234 5.033 . 0 0 "[ . 1 . 2]" 1
469 1 19 ALA MB 1 20 GLU H . . 3.500 2.546 2.378 2.679 . 0 0 "[ . 1 . 2]" 1
470 1 19 ALA MB 1 20 GLU HA . . 4.350 3.965 3.835 4.079 . 0 0 "[ . 1 . 2]" 1
471 1 19 ALA MB 1 22 LEU QD . . 5.110 3.814 3.411 4.309 . 0 0 "[ . 1 . 2]" 1
472 1 19 ALA MB 1 24 LYS H . . 4.450 3.881 3.772 3.976 . 0 0 "[ . 1 . 2]" 1
473 1 19 ALA MB 1 24 LYS HD2 . . 3.560 2.676 2.298 3.069 . 0 0 "[ . 1 . 2]" 1
474 1 19 ALA MB 1 24 LYS HD3 . . 2.690 2.957 2.731 3.199 0.509 13 2 "[ . -1 + . 2]" 1
475 1 19 ALA MB 1 25 SER HA . . 4.990 4.700 4.337 5.076 0.086 11 0 "[ . 1 . 2]" 1
476 1 19 ALA MB 1 29 ALA HA . . 3.070 2.086 1.971 2.378 . 0 0 "[ . 1 . 2]" 1
477 1 19 ALA MB 1 29 ALA MB . . 3.090 2.238 2.001 2.550 . 0 0 "[ . 1 . 2]" 1
478 1 19 ALA MB 1 32 TYR HB2 . . 4.400 3.489 3.106 4.025 . 0 0 "[ . 1 . 2]" 1
479 1 19 ALA MB 1 32 TYR HB3 . . 3.760 2.504 2.276 2.836 . 0 0 "[ . 1 . 2]" 1
480 1 19 ALA MB 1 32 TYR QD . . 2.750 2.673 2.334 2.833 0.083 14 0 "[ . 1 . 2]" 1
481 1 19 ALA MB 1 32 TYR QE . . 4.070 4.075 3.723 4.175 0.105 14 0 "[ . 1 . 2]" 1
482 1 20 GLU H 1 20 GLU HB2 . . 2.960 2.678 2.543 2.864 . 0 0 "[ . 1 . 2]" 1
483 1 20 GLU H 1 20 GLU HB3 . . 3.310 2.204 2.033 2.351 . 0 0 "[ . 1 . 2]" 1
484 1 20 GLU H 1 20 GLU HG2 . . 4.210 4.230 4.057 4.288 0.078 1 0 "[ . 1 . 2]" 1
485 1 20 GLU H 1 21 VAL H . . 3.120 2.732 2.592 2.870 . 0 0 "[ . 1 . 2]" 1
486 1 20 GLU H 1 21 VAL MG2 . . 5.060 4.353 4.111 4.603 . 0 0 "[ . 1 . 2]" 1
487 1 20 GLU HA 1 20 GLU HB2 . . 2.810 2.331 2.241 2.388 . 0 0 "[ . 1 . 2]" 1
488 1 20 GLU HA 1 20 GLU HG2 . . 3.670 3.432 3.266 3.587 . 0 0 "[ . 1 . 2]" 1
489 1 20 GLU HA 1 20 GLU HG3 . . 3.280 2.749 2.511 2.981 . 0 0 "[ . 1 . 2]" 1
490 1 20 GLU HA 1 21 VAL HA . . 4.830 4.815 4.770 4.878 0.048 18 0 "[ . 1 . 2]" 1
491 1 20 GLU HA 1 23 GLY H . . 3.500 3.291 2.990 3.391 . 0 0 "[ . 1 . 2]" 1
492 1 20 GLU HA 1 24 LYS H . . 3.750 3.530 2.929 3.803 0.053 4 0 "[ . 1 . 2]" 1
493 1 20 GLU HB2 1 21 VAL H . . 4.340 4.102 3.983 4.279 . 0 0 "[ . 1 . 2]" 1
494 1 20 GLU HB2 1 21 VAL MG2 . . 5.220 5.065 4.907 5.245 0.025 11 0 "[ . 1 . 2]" 1
495 1 20 GLU HB2 1 23 GLY H . . 5.440 5.482 5.272 5.519 0.079 18 0 "[ . 1 . 2]" 1
496 1 20 GLU HB3 1 21 VAL H . . 3.450 2.830 2.603 3.101 . 0 0 "[ . 1 . 2]" 1
497 1 20 GLU HB3 1 21 VAL MG2 . . 5.040 3.647 3.462 3.847 . 0 0 "[ . 1 . 2]" 1
498 1 20 GLU HG2 1 21 VAL HA . . 5.010 3.711 3.477 4.014 . 0 0 "[ . 1 . 2]" 1
499 1 20 GLU HG3 1 21 VAL H . . 4.500 4.469 4.227 4.569 0.069 3 0 "[ . 1 . 2]" 1
500 1 20 GLU HG3 1 21 VAL HA . . 4.940 4.816 4.412 5.008 0.068 20 0 "[ . 1 . 2]" 1
501 1 20 GLU HG3 1 21 VAL MG2 . . 5.440 4.841 4.458 5.213 . 0 0 "[ . 1 . 2]" 1
502 1 21 VAL H 1 21 VAL HB . . 3.060 2.395 2.255 2.576 . 0 0 "[ . 1 . 2]" 1
503 1 21 VAL H 1 21 VAL MG1 . . 3.870 3.760 3.700 3.807 . 0 0 "[ . 1 . 2]" 1
504 1 21 VAL H 1 21 VAL MG2 . . 2.950 2.280 2.194 2.389 . 0 0 "[ . 1 . 2]" 1
505 1 21 VAL HA 1 21 VAL MG1 . . 3.200 2.530 2.421 2.670 . 0 0 "[ . 1 . 2]" 1
506 1 21 VAL HA 1 21 VAL MG2 . . 3.050 2.355 2.301 2.397 . 0 0 "[ . 1 . 2]" 1
507 1 21 VAL HA 1 22 LEU HA . . 4.770 4.780 4.703 4.828 0.058 5 0 "[ . 1 . 2]" 1
508 1 21 VAL HA 1 23 GLY H . . 4.230 3.823 3.489 4.264 0.034 10 0 "[ . 1 . 2]" 1
509 1 21 VAL HB 1 22 LEU H . . 3.390 2.950 2.707 3.154 . 0 0 "[ . 1 . 2]" 1
510 1 21 VAL HB 1 57 LEU MD2 . . 3.720 2.751 2.416 3.149 . 0 0 "[ . 1 . 2]" 1
511 1 21 VAL MG1 1 22 LEU H . . 4.490 3.566 3.104 3.773 . 0 0 "[ . 1 . 2]" 1
512 1 21 VAL MG1 1 22 LEU HA . . 4.250 3.726 3.316 3.975 . 0 0 "[ . 1 . 2]" 1
513 1 21 VAL MG1 1 23 GLY H . . 5.500 4.842 4.691 5.024 . 0 0 "[ . 1 . 2]" 1
514 1 21 VAL MG1 1 57 LEU MD1 . . 4.280 3.194 2.488 3.741 . 0 0 "[ . 1 . 2]" 1
515 1 21 VAL MG1 1 57 LEU MD2 . . 2.890 2.095 1.893 2.261 . 0 0 "[ . 1 . 2]" 1
516 1 21 VAL MG1 1 60 LYS H . . 5.500 4.947 4.554 5.182 . 0 0 "[ . 1 . 2]" 1
517 1 21 VAL MG1 1 60 LYS HA . . 5.410 4.700 4.381 4.922 . 0 0 "[ . 1 . 2]" 1
518 1 21 VAL MG1 1 60 LYS HB3 . . 4.060 2.496 2.248 2.635 . 0 0 "[ . 1 . 2]" 1
519 1 21 VAL MG1 1 60 LYS QD . . 3.280 2.391 2.118 2.900 . 0 0 "[ . 1 . 2]" 1
520 1 21 VAL MG1 1 60 LYS QE . . 4.760 3.998 3.603 4.668 . 0 0 "[ . 1 . 2]" 1
521 1 21 VAL MG1 1 60 LYS HG2 . . 5.080 4.121 3.755 4.530 . 0 0 "[ . 1 . 2]" 1
522 1 21 VAL MG1 1 60 LYS HG3 . . 5.500 4.566 4.167 4.901 . 0 0 "[ . 1 . 2]" 1
523 1 21 VAL MG1 1 61 ARG H . . 5.500 4.463 4.245 4.723 . 0 0 "[ . 1 . 2]" 1
524 1 21 VAL MG1 1 61 ARG HD2 . . 5.070 4.287 4.011 5.049 . 0 0 "[ . 1 . 2]" 1
525 1 21 VAL MG1 1 61 ARG HD3 . . 4.920 4.063 3.803 4.757 . 0 0 "[ . 1 . 2]" 1
526 1 21 VAL MG1 1 61 ARG HG2 . . 4.290 2.229 2.019 2.838 . 0 0 "[ . 1 . 2]" 1
527 1 21 VAL MG1 1 61 ARG HG3 . . 4.470 2.403 2.225 2.838 . 0 0 "[ . 1 . 2]" 1
528 1 21 VAL MG2 1 22 LEU H . . 4.730 4.109 4.011 4.214 . 0 0 "[ . 1 . 2]" 1
529 1 21 VAL MG2 1 57 LEU MD1 . . 4.760 4.217 3.716 4.686 . 0 0 "[ . 1 . 2]" 1
530 1 21 VAL MG2 1 57 LEU MD2 . . 3.960 3.524 3.226 3.766 . 0 0 "[ . 1 . 2]" 1
531 1 21 VAL MG2 1 61 ARG HD2 . . 5.500 4.657 3.938 5.274 . 0 0 "[ . 1 . 2]" 1
532 1 21 VAL MG2 1 61 ARG HD3 . . 5.490 5.050 4.261 5.549 0.059 19 0 "[ . 1 . 2]" 1
533 1 21 VAL MG2 1 61 ARG HG2 . . 5.080 3.688 3.258 4.013 . 0 0 "[ . 1 . 2]" 1
534 1 21 VAL MG2 1 61 ARG HG3 . . 4.190 2.923 2.423 3.213 . 0 0 "[ . 1 . 2]" 1
535 1 22 LEU H 1 22 LEU HB2 . . 2.820 2.269 2.126 2.404 . 0 0 "[ . 1 . 2]" 1
536 1 22 LEU H 1 22 LEU HB3 . . 3.720 3.533 3.437 3.625 . 0 0 "[ . 1 . 2]" 1
537 1 22 LEU H 1 22 LEU QD . . 3.890 2.977 2.331 3.382 . 0 0 "[ . 1 . 2]" 1
538 1 22 LEU H 1 24 LYS H . . 4.730 3.725 3.555 3.926 . 0 0 "[ . 1 . 2]" 1
539 1 22 LEU HA 1 22 LEU QD . . 2.680 2.255 2.047 2.614 . 0 0 "[ . 1 . 2]" 1
540 1 22 LEU HA 1 24 LYS HG3 . . 5.450 5.044 4.791 5.483 0.033 19 0 "[ . 1 . 2]" 1
541 1 22 LEU HA 1 60 LYS QD . . 3.480 2.494 2.084 3.003 . 0 0 "[ . 1 . 2]" 1
542 1 22 LEU HA 1 60 LYS QE . . 4.120 2.349 1.924 2.961 . 0 0 "[ . 1 . 2]" 1
543 1 22 LEU HB2 1 24 LYS HG3 . . 4.140 2.922 2.451 3.335 . 0 0 "[ . 1 . 2]" 1
544 1 22 LEU HB3 1 24 LYS H . . 5.020 3.554 3.239 4.100 . 0 0 "[ . 1 . 2]" 1
545 1 22 LEU HB3 1 24 LYS HG3 . . 4.080 2.700 2.373 3.053 . 0 0 "[ . 1 . 2]" 1
546 1 22 LEU QD 1 23 GLY H . . 5.500 4.374 4.155 4.566 . 0 0 "[ . 1 . 2]" 1
547 1 22 LEU QD 1 24 LYS H . . 5.500 4.371 4.010 4.634 . 0 0 "[ . 1 . 2]" 1
548 1 22 LEU QD 1 24 LYS HB2 . . 5.370 4.357 3.637 4.862 . 0 0 "[ . 1 . 2]" 1
549 1 22 LEU QD 1 24 LYS HD2 . . 5.000 2.882 2.308 3.511 . 0 0 "[ . 1 . 2]" 1
550 1 22 LEU QD 1 24 LYS QE . . 4.150 2.746 1.907 4.041 . 0 0 "[ . 1 . 2]" 1
551 1 22 LEU QD 1 24 LYS HG2 . . 4.690 4.370 3.858 4.656 . 0 0 "[ . 1 . 2]" 1
552 1 22 LEU QD 1 24 LYS HG3 . . 4.370 3.321 2.777 3.663 . 0 0 "[ . 1 . 2]" 1
553 1 22 LEU QD 1 32 TYR QD . . 3.900 3.631 3.106 3.933 0.033 20 0 "[ . 1 . 2]" 1
554 1 22 LEU QD 1 32 TYR QE . . 3.550 3.063 2.363 3.607 0.057 20 0 "[ . 1 . 2]" 1
555 1 22 LEU QD 1 56 ASP HA . . 5.220 4.086 3.579 4.402 . 0 0 "[ . 1 . 2]" 1
556 1 22 LEU QD 1 56 ASP HB2 . . 4.480 4.010 3.518 4.325 . 0 0 "[ . 1 . 2]" 1
557 1 22 LEU QD 1 56 ASP HB3 . . 3.500 2.843 2.394 3.215 . 0 0 "[ . 1 . 2]" 1
558 1 22 LEU QD 1 57 LEU H . . 5.500 4.004 3.622 4.391 . 0 0 "[ . 1 . 2]" 1
559 1 22 LEU QD 1 57 LEU HA . . 4.760 2.214 2.041 2.473 . 0 0 "[ . 1 . 2]" 1
560 1 22 LEU QD 1 57 LEU MD2 . . 4.020 2.250 1.921 2.911 . 0 0 "[ . 1 . 2]" 1
561 1 22 LEU QD 1 57 LEU HG . . 4.720 3.576 2.906 4.199 . 0 0 "[ . 1 . 2]" 1
562 1 22 LEU QD 1 60 LYS QD . . 3.470 2.248 1.969 2.816 . 0 0 "[ . 1 . 2]" 1
563 1 22 LEU QD 1 60 LYS QE . . 3.950 3.290 2.645 3.813 . 0 0 "[ . 1 . 2]" 1
564 1 22 LEU QD 1 60 LYS HG3 . . 5.280 3.996 3.410 4.641 . 0 0 "[ . 1 . 2]" 1
565 1 23 GLY H 1 24 LYS H . . 3.050 2.405 2.030 2.721 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLY H 1 24 LYS HA . . 5.500 5.156 4.803 5.425 . 0 0 "[ . 1 . 2]" 1
567 1 23 GLY H 1 24 LYS HB2 . . 4.770 4.486 4.115 4.840 0.070 15 0 "[ . 1 . 2]" 1
568 1 23 GLY H 1 24 LYS HG3 . . 5.500 4.624 4.139 4.956 . 0 0 "[ . 1 . 2]" 1
569 1 23 GLY HA3 1 24 LYS H . . 3.460 3.485 3.415 3.565 0.105 5 0 "[ . 1 . 2]" 1
570 1 24 LYS H 1 24 LYS HB2 . . 2.980 2.353 2.258 2.443 . 0 0 "[ . 1 . 2]" 1
571 1 24 LYS H 1 24 LYS HB3 . . 4.010 3.598 3.560 3.649 . 0 0 "[ . 1 . 2]" 1
572 1 24 LYS H 1 24 LYS HD2 . . 5.100 4.148 3.848 4.440 . 0 0 "[ . 1 . 2]" 1
573 1 24 LYS H 1 24 LYS HG3 . . 3.350 2.711 2.449 2.947 . 0 0 "[ . 1 . 2]" 1
574 1 24 LYS H 1 25 SER H . . 4.610 4.594 4.509 4.657 0.047 3 0 "[ . 1 . 2]" 1
575 1 24 LYS H 1 25 SER HA . . 5.500 5.297 5.114 5.493 . 0 0 "[ . 1 . 2]" 1
576 1 24 LYS HA 1 24 LYS HD2 . . 5.170 4.746 4.670 4.880 . 0 0 "[ . 1 . 2]" 1
577 1 24 LYS HA 1 24 LYS HG2 . . 3.170 2.552 2.387 2.703 . 0 0 "[ . 1 . 2]" 1
578 1 24 LYS HA 1 24 LYS HG3 . . 3.720 3.032 2.918 3.227 . 0 0 "[ . 1 . 2]" 1
579 1 24 LYS HA 1 25 SER H . . 2.640 2.414 2.268 2.583 . 0 0 "[ . 1 . 2]" 1
580 1 24 LYS HA 1 28 GLU HB2 . . 4.610 4.209 3.690 4.649 0.039 2 0 "[ . 1 . 2]" 1
581 1 24 LYS HB2 1 25 SER H . . 3.780 3.757 3.585 3.854 0.074 9 0 "[ . 1 . 2]" 1
582 1 24 LYS HB2 1 28 GLU HB3 . . 4.480 4.015 3.800 4.549 0.069 10 0 "[ . 1 . 2]" 1
583 1 24 LYS HB2 1 29 ALA HA . . 4.370 3.479 3.039 3.954 . 0 0 "[ . 1 . 2]" 1
584 1 24 LYS HB3 1 24 LYS HD2 . . 3.360 3.250 3.107 3.410 0.050 19 0 "[ . 1 . 2]" 1
585 1 24 LYS HB3 1 25 SER H . . 3.370 2.553 2.313 2.695 . 0 0 "[ . 1 . 2]" 1
586 1 24 LYS HB3 1 28 GLU HB2 . . 4.360 3.488 2.638 4.017 . 0 0 "[ . 1 . 2]" 1
587 1 24 LYS HB3 1 28 GLU HB3 . . 4.080 2.329 2.152 3.026 . 0 0 "[ . 1 . 2]" 1
588 1 24 LYS HB3 1 29 ALA HA . . 4.070 3.140 2.670 3.503 . 0 0 "[ . 1 . 2]" 1
589 1 24 LYS HD2 1 29 ALA HA . . 4.120 3.872 3.388 4.486 0.366 14 0 "[ . 1 . 2]" 1
590 1 24 LYS HD2 1 32 TYR H . . 5.500 5.257 4.885 5.673 0.173 5 0 "[ . 1 . 2]" 1
591 1 24 LYS HD2 1 32 TYR HB2 . . 4.530 3.222 2.800 3.585 . 0 0 "[ . 1 . 2]" 1
592 1 24 LYS HD2 1 32 TYR HB3 . . 4.790 3.677 3.139 4.254 . 0 0 "[ . 1 . 2]" 1
593 1 24 LYS HD2 1 32 TYR QD . . 4.120 3.618 2.711 3.935 . 0 0 "[ . 1 . 2]" 1
594 1 24 LYS HD3 1 29 ALA HA . . 5.070 3.069 2.479 3.874 . 0 0 "[ . 1 . 2]" 1
595 1 24 LYS HD3 1 32 TYR HB2 . . 4.310 2.626 2.402 2.925 . 0 0 "[ . 1 . 2]" 1
596 1 24 LYS HD3 1 32 TYR HB3 . . 4.750 3.330 2.822 3.790 . 0 0 "[ . 1 . 2]" 1
597 1 24 LYS QE 1 32 TYR QD . . 4.130 2.480 2.043 3.752 . 0 0 "[ . 1 . 2]" 1
598 1 24 LYS HG3 1 25 SER H . . 4.950 4.889 4.739 5.009 0.059 20 0 "[ . 1 . 2]" 1
599 1 25 SER H 1 28 GLU HB2 . . 3.610 2.752 2.434 3.110 . 0 0 "[ . 1 . 2]" 1
600 1 25 SER H 1 28 GLU HB3 . . 3.960 2.944 2.367 4.009 0.049 19 0 "[ . 1 . 2]" 1
601 1 25 SER H 1 28 GLU HG2 . . 5.180 5.056 4.016 5.269 0.089 19 0 "[ . 1 . 2]" 1
602 1 25 SER H 1 28 GLU HG3 . . 5.100 4.394 3.965 5.263 0.163 10 0 "[ . 1 . 2]" 1
603 1 25 SER H 1 29 ALA H . . 4.170 3.404 3.044 3.825 . 0 0 "[ . 1 . 2]" 1
604 1 25 SER HA 1 26 GLY H . . 2.830 2.567 2.376 2.899 0.069 10 0 "[ . 1 . 2]" 1
605 1 25 SER HA 1 26 GLY HA2 . . 4.990 4.579 3.947 4.965 . 0 0 "[ . 1 . 2]" 1
606 1 25 SER HA 1 29 ALA H . . 4.840 3.994 3.633 4.439 . 0 0 "[ . 1 . 2]" 1
607 1 25 SER HA 1 29 ALA MB . . 3.220 2.712 2.236 3.318 0.098 11 0 "[ . 1 . 2]" 1
608 1 25 SER HB2 1 26 GLY H . . 3.570 2.830 2.164 3.645 0.075 13 0 "[ . 1 . 2]" 1
609 1 25 SER HB2 1 29 ALA MB . . 4.980 4.834 4.356 5.081 0.101 8 0 "[ . 1 . 2]" 1
610 1 25 SER HB3 1 26 GLY H . . 3.560 2.990 2.128 3.639 0.079 16 0 "[ . 1 . 2]" 1
611 1 25 SER HB3 1 29 ALA MB . . 4.990 4.715 4.092 5.081 0.091 11 0 "[ . 1 . 2]" 1
612 1 26 GLY H 1 26 GLY HA2 . . 2.710 2.328 2.251 2.801 0.091 19 0 "[ . 1 . 2]" 1
613 1 26 GLY H 1 27 ASP H . . 4.600 4.427 2.988 4.667 0.067 10 0 "[ . 1 . 2]" 1
614 1 26 GLY H 1 29 ALA H . . 5.030 4.517 4.097 4.837 . 0 0 "[ . 1 . 2]" 1
615 1 26 GLY H 1 29 ALA MB . . 4.230 3.746 3.070 4.206 . 0 0 "[ . 1 . 2]" 1
616 1 26 GLY HA2 1 27 ASP H . . 3.510 3.225 3.000 3.573 0.063 11 0 "[ . 1 . 2]" 1
617 1 26 GLY HA2 1 27 ASP HA . . 4.960 4.437 4.245 4.633 . 0 0 "[ . 1 . 2]" 1
618 1 26 GLY HA2 1 28 GLU H . . 4.830 4.789 3.893 4.905 0.075 14 0 "[ . 1 . 2]" 1
619 1 26 GLY HA2 1 29 ALA MB . . 5.070 4.314 2.047 5.092 0.022 10 0 "[ . 1 . 2]" 1
620 1 26 GLY HA3 1 27 ASP H . . 3.030 2.244 2.114 3.307 0.277 19 0 "[ . 1 . 2]" 1
621 1 26 GLY HA3 1 28 GLU H . . 4.170 3.807 3.294 4.864 0.694 19 1 "[ . 1 . +2]" 1
622 1 26 GLY HA3 1 29 ALA H . . 5.190 4.580 4.282 4.799 . 0 0 "[ . 1 . 2]" 1
623 1 26 GLY HA3 1 29 ALA MB . . 5.150 4.753 3.594 5.034 . 0 0 "[ . 1 . 2]" 1
624 1 27 ASP H 1 27 ASP HB2 . . 3.790 2.293 2.058 2.563 . 0 0 "[ . 1 . 2]" 1
625 1 27 ASP H 1 27 ASP HB3 . . 3.380 3.401 2.964 3.589 0.209 15 0 "[ . 1 . 2]" 1
626 1 27 ASP H 1 28 GLU H . . 3.260 2.461 1.981 2.936 . 0 0 "[ . 1 . 2]" 1
627 1 27 ASP H 1 29 ALA H . . 4.890 4.172 3.210 4.479 . 0 0 "[ . 1 . 2]" 1
628 1 27 ASP H 1 30 ASN H . . 5.500 4.942 4.563 5.192 . 0 0 "[ . 1 . 2]" 1
629 1 27 ASP HA 1 27 ASP HB2 . . 2.830 2.943 2.705 3.057 0.227 20 0 "[ . 1 . 2]" 1
630 1 27 ASP HA 1 29 ALA H . . 4.630 4.089 3.583 4.707 0.077 19 0 "[ . 1 . 2]" 1
631 1 27 ASP HA 1 30 ASN HD21 . . 3.670 2.615 1.969 3.137 . 0 0 "[ . 1 . 2]" 1
632 1 27 ASP HA 1 30 ASN HD22 . . 4.400 3.939 2.928 4.475 0.075 1 0 "[ . 1 . 2]" 1
633 1 27 ASP HB2 1 28 GLU H . . 3.700 3.340 2.754 3.780 0.080 10 0 "[ . 1 . 2]" 1
634 1 27 ASP HB3 1 28 GLU H . . 3.460 3.597 2.946 3.787 0.327 7 0 "[ . 1 . 2]" 1
635 1 27 ASP HB3 1 28 GLU HA . . 4.950 4.423 4.011 4.785 . 0 0 "[ . 1 . 2]" 1
636 1 28 GLU H 1 28 GLU HB2 . . 2.850 2.027 1.914 2.111 . 0 0 "[ . 1 . 2]" 1
637 1 28 GLU H 1 28 GLU HB3 . . 3.270 3.291 3.091 3.355 0.085 19 0 "[ . 1 . 2]" 1
638 1 28 GLU H 1 28 GLU HG2 . . 3.840 3.581 3.087 3.933 0.093 20 0 "[ . 1 . 2]" 1
639 1 28 GLU H 1 28 GLU HG3 . . 3.530 3.640 3.199 3.928 0.398 7 0 "[ . 1 . 2]" 1
640 1 28 GLU H 1 29 ALA H . . 2.950 2.704 2.040 3.011 0.061 10 0 "[ . 1 . 2]" 1
641 1 28 GLU H 1 29 ALA MB . . 4.720 4.374 3.778 4.638 . 0 0 "[ . 1 . 2]" 1
642 1 28 GLU H 1 30 ASN H . . 4.380 4.002 3.808 4.295 . 0 0 "[ . 1 . 2]" 1
643 1 28 GLU H 1 31 ALA MB . . 5.500 4.653 4.389 5.238 . 0 0 "[ . 1 . 2]" 1
644 1 28 GLU HA 1 28 GLU HB2 . . 2.950 2.952 2.825 3.031 0.081 19 0 "[ . 1 . 2]" 1
645 1 28 GLU HA 1 28 GLU HB3 . . 3.000 2.817 2.614 2.969 . 0 0 "[ . 1 . 2]" 1
646 1 28 GLU HA 1 28 GLU HG2 . . 3.710 2.407 2.060 3.673 . 0 0 "[ . 1 . 2]" 1
647 1 28 GLU HA 1 28 GLU HG3 . . 3.590 3.274 2.514 3.649 0.059 17 0 "[ . 1 . 2]" 1
648 1 28 GLU HA 1 30 ASN H . . 4.460 4.035 3.643 4.315 . 0 0 "[ . 1 . 2]" 1
649 1 28 GLU HA 1 31 ALA MB . . 3.280 2.638 2.172 3.064 . 0 0 "[ . 1 . 2]" 1
650 1 28 GLU HA 1 32 TYR H . . 4.570 3.963 3.653 4.257 . 0 0 "[ . 1 . 2]" 1
651 1 28 GLU HB2 1 28 GLU HG3 . . 3.000 2.348 2.215 2.987 . 0 0 "[ . 1 . 2]" 1
652 1 28 GLU HB2 1 29 ALA H . . 3.550 2.929 2.339 3.247 . 0 0 "[ . 1 . 2]" 1
653 1 28 GLU HB3 1 29 ALA H . . 3.710 2.958 2.562 3.343 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLU HB3 1 32 TYR H . . 5.390 5.055 4.474 5.446 0.056 20 0 "[ . 1 . 2]" 1
655 1 28 GLU HG3 1 29 ALA H . . 4.980 4.996 4.645 5.161 0.181 9 0 "[ . 1 . 2]" 1
656 1 29 ALA H 1 29 ALA MB . . 2.960 2.232 2.145 2.281 . 0 0 "[ . 1 . 2]" 1
657 1 29 ALA H 1 30 ASN H . . 2.940 2.650 2.512 2.854 . 0 0 "[ . 1 . 2]" 1
658 1 29 ALA H 1 30 ASN QB . . 4.770 4.619 4.358 4.817 0.047 19 0 "[ . 1 . 2]" 1
659 1 29 ALA H 1 31 ALA H . . 4.340 4.203 3.922 4.393 0.053 19 0 "[ . 1 . 2]" 1
660 1 29 ALA H 1 32 TYR H . . 5.500 4.779 4.568 5.095 . 0 0 "[ . 1 . 2]" 1
661 1 29 ALA HA 1 31 ALA H . . 5.460 4.482 4.196 4.643 . 0 0 "[ . 1 . 2]" 1
662 1 29 ALA HA 1 32 TYR H . . 3.840 3.563 3.246 3.898 0.058 14 0 "[ . 1 . 2]" 1
663 1 29 ALA HA 1 32 TYR HB2 . . 4.140 3.623 3.085 4.206 0.066 14 0 "[ . 1 . 2]" 1
664 1 29 ALA HA 1 32 TYR HB3 . . 3.660 2.775 2.387 3.268 . 0 0 "[ . 1 . 2]" 1
665 1 29 ALA MB 1 30 ASN H . . 3.320 2.948 2.696 3.380 0.060 18 0 "[ . 1 . 2]" 1
666 1 29 ALA MB 1 30 ASN HA . . 4.900 4.020 3.830 4.334 . 0 0 "[ . 1 . 2]" 1
667 1 29 ALA MB 1 30 ASN QB . . 5.190 4.321 3.833 4.739 . 0 0 "[ . 1 . 2]" 1
668 1 29 ALA MB 1 31 ALA H . . 5.280 4.683 4.457 4.912 . 0 0 "[ . 1 . 2]" 1
669 1 29 ALA MB 1 32 TYR H . . 5.500 4.793 4.589 5.158 . 0 0 "[ . 1 . 2]" 1
670 1 29 ALA MB 1 33 ALA H . . 5.500 4.781 4.428 5.447 . 0 0 "[ . 1 . 2]" 1
671 1 30 ASN H 1 30 ASN QB . . 2.820 2.389 2.247 2.589 . 0 0 "[ . 1 . 2]" 1
672 1 30 ASN H 1 30 ASN HD22 . . 5.040 4.576 3.461 5.051 0.011 1 0 "[ . 1 . 2]" 1
673 1 30 ASN H 1 31 ALA H . . 3.100 2.227 1.873 2.445 . 0 0 "[ . 1 . 2]" 1
674 1 30 ASN H 1 31 ALA MB . . 5.260 3.885 3.532 4.099 . 0 0 "[ . 1 . 2]" 1
675 1 30 ASN H 1 32 TYR H . . 3.700 3.764 3.658 3.785 0.085 11 0 "[ . 1 . 2]" 1
676 1 30 ASN H 1 32 TYR HB3 . . 4.870 4.925 4.874 4.947 0.077 10 0 "[ . 1 . 2]" 1
677 1 30 ASN HA 1 30 ASN HD22 . . 5.050 4.524 4.174 5.213 0.163 19 0 "[ . 1 . 2]" 1
678 1 30 ASN HA 1 32 TYR H . . 5.500 4.543 4.392 4.781 . 0 0 "[ . 1 . 2]" 1
679 1 30 ASN HA 1 33 ALA H . . 3.800 3.441 3.160 3.740 . 0 0 "[ . 1 . 2]" 1
680 1 30 ASN HA 1 33 ALA MB . . 3.460 2.668 2.352 3.142 . 0 0 "[ . 1 . 2]" 1
681 1 30 ASN HA 1 34 ALA H . . 5.260 5.114 4.589 5.331 0.071 4 0 "[ . 1 . 2]" 1
682 1 30 ASN QB 1 30 ASN HD21 . . 3.160 2.290 2.126 2.466 . 0 0 "[ . 1 . 2]" 1
683 1 30 ASN QB 1 30 ASN HD22 . . 3.830 3.312 3.242 3.391 . 0 0 "[ . 1 . 2]" 1
684 1 30 ASN QB 1 31 ALA H . . 3.090 2.761 2.493 3.199 0.109 19 0 "[ . 1 . 2]" 1
685 1 30 ASN QB 1 31 ALA HA . . 4.300 4.047 3.813 4.413 0.113 15 0 "[ . 1 . 2]" 1
686 1 30 ASN QB 1 31 ALA MB . . 4.190 3.959 3.734 4.291 0.101 19 0 "[ . 1 . 2]" 1
687 1 31 ALA H 1 31 ALA MB . . 2.800 2.212 2.172 2.251 . 0 0 "[ . 1 . 2]" 1
688 1 31 ALA H 1 32 TYR H . . 3.160 2.676 2.468 2.877 . 0 0 "[ . 1 . 2]" 1
689 1 31 ALA H 1 32 TYR HB2 . . 5.380 5.039 4.840 5.300 . 0 0 "[ . 1 . 2]" 1
690 1 31 ALA H 1 33 ALA H . . 4.220 4.132 3.960 4.289 0.069 17 0 "[ . 1 . 2]" 1
691 1 31 ALA H 1 34 ALA H . . 5.360 5.207 4.832 5.432 0.072 4 0 "[ . 1 . 2]" 1
692 1 31 ALA HA 1 33 ALA H . . 4.860 4.472 4.226 4.634 . 0 0 "[ . 1 . 2]" 1
693 1 31 ALA HA 1 34 ALA H . . 3.760 3.689 3.430 3.828 0.068 4 0 "[ . 1 . 2]" 1
694 1 31 ALA MB 1 32 TYR H . . 3.310 2.446 2.301 2.584 . 0 0 "[ . 1 . 2]" 1
695 1 31 ALA MB 1 32 TYR HA . . 4.920 3.885 3.776 4.063 . 0 0 "[ . 1 . 2]" 1
696 1 31 ALA MB 1 33 ALA H . . 5.000 4.545 4.461 4.642 . 0 0 "[ . 1 . 2]" 1
697 1 32 TYR H 1 32 TYR HB2 . . 3.080 2.486 2.364 2.598 . 0 0 "[ . 1 . 2]" 1
698 1 32 TYR H 1 32 TYR HB3 . . 3.090 2.517 2.416 2.620 . 0 0 "[ . 1 . 2]" 1
699 1 32 TYR H 1 32 TYR QD . . 4.150 4.203 4.141 4.232 0.082 11 0 "[ . 1 . 2]" 1
700 1 32 TYR H 1 33 ALA H . . 3.190 2.805 2.704 2.968 . 0 0 "[ . 1 . 2]" 1
701 1 32 TYR H 1 33 ALA MB . . 5.500 4.442 4.333 4.595 . 0 0 "[ . 1 . 2]" 1
702 1 32 TYR H 1 34 ALA H . . 4.320 4.221 4.008 4.389 0.069 13 0 "[ . 1 . 2]" 1
703 1 32 TYR HA 1 32 TYR QD . . 3.160 2.908 2.586 3.206 0.046 18 0 "[ . 1 . 2]" 1
704 1 32 TYR HA 1 35 GLU H . . 4.040 3.349 3.021 3.659 . 0 0 "[ . 1 . 2]" 1
705 1 32 TYR HA 1 35 GLU HG3 . . 4.200 3.103 2.168 4.261 0.061 4 0 "[ . 1 . 2]" 1
706 1 32 TYR HA 1 36 VAL QG . . 5.470 4.475 3.961 5.164 . 0 0 "[ . 1 . 2]" 1
707 1 32 TYR HB2 1 33 ALA H . . 4.060 3.920 3.689 4.095 0.035 6 0 "[ . 1 . 2]" 1
708 1 32 TYR HB3 1 33 ALA H . . 3.280 2.639 2.372 2.926 . 0 0 "[ . 1 . 2]" 1
709 1 32 TYR HB3 1 33 ALA MB . . 4.680 4.006 3.685 4.245 . 0 0 "[ . 1 . 2]" 1
710 1 32 TYR QD 1 33 ALA H . . 3.570 3.406 2.980 3.639 0.069 6 0 "[ . 1 . 2]" 1
711 1 32 TYR QD 1 33 ALA HA . . 3.320 3.250 2.666 3.401 0.081 16 0 "[ . 1 . 2]" 1
712 1 32 TYR QD 1 36 VAL QG . . 3.590 3.084 2.729 3.391 . 0 0 "[ . 1 . 2]" 1
713 1 32 TYR QD 1 52 LYS QE . . 4.640 4.631 4.137 4.759 0.119 3 0 "[ . 1 . 2]" 1
714 1 32 TYR QE 1 36 VAL H . . 5.500 4.801 4.351 5.248 . 0 0 "[ . 1 . 2]" 1
715 1 32 TYR QE 1 36 VAL QG . . 2.840 2.333 2.056 2.837 . 0 0 "[ . 1 . 2]" 1
716 1 32 TYR QE 1 52 LYS QE . . 4.350 3.599 2.832 3.962 . 0 0 "[ . 1 . 2]" 1
717 1 32 TYR QE 1 53 VAL QG . . 3.470 3.297 2.786 3.573 0.103 16 0 "[ . 1 . 2]" 1
718 1 33 ALA H 1 33 ALA MB . . 2.970 2.218 2.132 2.268 . 0 0 "[ . 1 . 2]" 1
719 1 33 ALA H 1 34 ALA H . . 3.330 2.944 2.826 3.078 . 0 0 "[ . 1 . 2]" 1
720 1 33 ALA H 1 35 GLU H . . 4.970 4.503 4.309 5.033 0.063 4 0 "[ . 1 . 2]" 1
721 1 33 ALA HA 1 35 GLU H . . 4.720 4.263 3.865 4.764 0.044 5 0 "[ . 1 . 2]" 1
722 1 33 ALA HA 1 36 VAL H . . 3.780 3.483 3.254 3.824 0.044 5 0 "[ . 1 . 2]" 1
723 1 33 ALA HA 1 36 VAL HB . . 3.480 3.129 2.524 3.571 0.091 14 0 "[ . 1 . 2]" 1
724 1 33 ALA HA 1 36 VAL QG . . 3.960 2.803 1.919 3.479 . 0 0 "[ . 1 . 2]" 1
725 1 33 ALA HA 1 37 VAL H . . 5.060 4.664 4.207 5.130 0.070 6 0 "[ . 1 . 2]" 1
726 1 33 ALA MB 1 34 ALA H . . 3.510 3.245 2.800 3.564 0.054 7 0 "[ . 1 . 2]" 1
727 1 33 ALA MB 1 36 VAL QG . . 4.990 3.826 3.071 4.419 . 0 0 "[ . 1 . 2]" 1
728 1 33 ALA MB 1 37 VAL MG2 . . 4.430 3.724 3.063 4.071 . 0 0 "[ . 1 . 2]" 1
729 1 34 ALA H 1 34 ALA MB . . 2.810 2.344 2.265 2.497 . 0 0 "[ . 1 . 2]" 1
730 1 34 ALA H 1 35 GLU HG3 . . 5.500 4.597 3.460 5.789 0.289 15 0 "[ . 1 . 2]" 1
731 1 34 ALA H 1 37 VAL MG2 . . 5.500 4.648 4.411 4.977 . 0 0 "[ . 1 . 2]" 1
732 1 34 ALA HA 1 37 VAL H . . 3.990 3.467 3.207 3.867 . 0 0 "[ . 1 . 2]" 1
733 1 34 ALA HA 1 37 VAL HB . . 3.070 2.794 2.221 3.141 0.071 4 0 "[ . 1 . 2]" 1
734 1 34 ALA HA 1 37 VAL MG2 . . 3.510 2.877 2.416 3.035 . 0 0 "[ . 1 . 2]" 1
735 1 34 ALA MB 1 35 GLU H . . 3.630 2.722 2.513 3.009 . 0 0 "[ . 1 . 2]" 1
736 1 34 ALA MB 1 35 GLU HA . . 4.150 3.911 3.706 4.085 . 0 0 "[ . 1 . 2]" 1
737 1 34 ALA MB 1 37 VAL HB . . 4.620 3.981 3.621 4.313 . 0 0 "[ . 1 . 2]" 1
738 1 34 ALA MB 1 37 VAL MG2 . . 4.090 4.121 3.692 4.226 0.136 18 0 "[ . 1 . 2]" 1
739 1 35 GLU H 1 35 GLU HB2 . . 3.110 2.565 2.230 3.644 0.534 5 1 "[ + 1 . 2]" 1
740 1 35 GLU H 1 35 GLU HB3 . . 3.590 3.553 2.802 3.633 0.043 17 0 "[ . 1 . 2]" 1
741 1 35 GLU H 1 35 GLU HG2 . . 3.560 2.943 1.934 3.648 0.088 4 0 "[ . 1 . 2]" 1
742 1 35 GLU H 1 35 GLU HG3 . . 3.420 2.771 2.133 3.622 0.202 3 0 "[ . 1 . 2]" 1
743 1 35 GLU H 1 36 VAL HA . . 5.500 5.349 5.179 5.521 0.021 12 0 "[ . 1 . 2]" 1
744 1 35 GLU H 1 36 VAL QG . . 5.090 3.958 3.493 4.302 . 0 0 "[ . 1 . 2]" 1
745 1 35 GLU HA 1 35 GLU HB3 . . 2.880 2.468 2.332 2.637 . 0 0 "[ . 1 . 2]" 1
746 1 35 GLU HA 1 35 GLU HG2 . . 3.620 2.737 2.268 3.686 0.066 5 0 "[ . 1 . 2]" 1
747 1 35 GLU HA 1 35 GLU HG3 . . 3.870 3.374 2.773 3.852 . 0 0 "[ . 1 . 2]" 1
748 1 35 GLU HA 1 36 VAL QG . . 5.110 4.734 4.559 4.930 . 0 0 "[ . 1 . 2]" 1
749 1 35 GLU HA 1 38 LYS QD . . 3.900 3.730 2.705 3.980 0.080 9 0 "[ . 1 . 2]" 1
750 1 35 GLU HA 1 38 LYS QE . . 4.730 4.252 2.548 4.807 0.077 16 0 "[ . 1 . 2]" 1
751 1 35 GLU HB2 1 52 LYS QE . . 3.940 2.897 2.220 3.585 . 0 0 "[ . 1 . 2]" 1
752 1 35 GLU HB3 1 36 VAL H . . 4.310 3.570 3.201 4.084 . 0 0 "[ . 1 . 2]" 1
753 1 35 GLU HB3 1 36 VAL QG . . 5.100 4.139 3.487 4.888 . 0 0 "[ . 1 . 2]" 1
754 1 35 GLU HB3 1 52 LYS QE . . 3.890 2.582 1.911 4.007 0.117 5 0 "[ . 1 . 2]" 1
755 1 35 GLU HG2 1 52 LYS QE . . 4.610 4.612 3.772 5.568 0.958 15 3 "[ . 1 * + -]" 1
756 1 36 VAL H 1 36 VAL HB . . 3.050 2.424 2.162 2.756 . 0 0 "[ . 1 . 2]" 1
757 1 36 VAL H 1 36 VAL QG . . 3.050 2.080 1.890 2.307 . 0 0 "[ . 1 . 2]" 1
758 1 36 VAL H 1 37 VAL HA . . 5.360 5.394 5.263 5.440 0.080 16 0 "[ . 1 . 2]" 1
759 1 36 VAL H 1 52 LYS QD . . 4.790 4.469 3.451 4.871 0.081 16 0 "[ . 1 . 2]" 1
760 1 36 VAL H 1 52 LYS HE2 . . 5.150 4.100 2.897 5.209 0.059 19 0 "[ . 1 . 2]" 1
761 1 36 VAL H 1 52 LYS QE . . 4.730 3.512 2.746 4.419 . 0 0 "[ . 1 . 2]" 1
762 1 36 VAL HA 1 36 VAL QG . . 3.140 2.173 2.069 2.321 . 0 0 "[ . 1 . 2]" 1
763 1 36 VAL HA 1 38 LYS H . . 5.330 4.022 3.571 4.529 . 0 0 "[ . 1 . 2]" 1
764 1 36 VAL HA 1 49 VAL MG1 . . 4.930 4.388 3.609 5.036 0.106 18 0 "[ . 1 . 2]" 1
765 1 36 VAL HA 1 49 VAL MG2 . . 5.280 5.055 4.654 5.363 0.083 18 0 "[ . 1 . 2]" 1
766 1 36 VAL HA 1 52 LYS QD . . 3.880 2.669 2.324 3.500 . 0 0 "[ . 1 . 2]" 1
767 1 36 VAL HA 1 52 LYS QE . . 4.150 2.957 1.881 4.234 0.084 19 0 "[ . 1 . 2]" 1
768 1 36 VAL HA 1 52 LYS HG3 . . 5.060 4.057 3.088 5.132 0.072 8 0 "[ . 1 . 2]" 1
769 1 36 VAL HB 1 37 VAL MG2 . . 4.500 3.617 2.813 4.614 0.114 18 0 "[ . 1 . 2]" 1
770 1 36 VAL QG 1 37 VAL H . . 4.650 3.318 2.435 3.744 . 0 0 "[ . 1 . 2]" 1
771 1 36 VAL QG 1 37 VAL HA . . 4.600 3.750 3.338 4.156 . 0 0 "[ . 1 . 2]" 1
772 1 36 VAL QG 1 52 LYS QD . . 3.530 2.558 2.189 3.610 0.080 18 0 "[ . 1 . 2]" 1
773 1 36 VAL QG 1 52 LYS QE . . 3.630 2.629 1.985 3.353 . 0 0 "[ . 1 . 2]" 1
774 1 37 VAL H 1 37 VAL HB . . 2.860 2.368 2.201 2.550 . 0 0 "[ . 1 . 2]" 1
775 1 37 VAL H 1 37 VAL MG1 . . 3.940 3.748 3.658 3.806 . 0 0 "[ . 1 . 2]" 1
776 1 37 VAL H 1 37 VAL MG2 . . 2.880 2.369 2.138 2.722 . 0 0 "[ . 1 . 2]" 1
777 1 37 VAL H 1 38 LYS H . . 3.230 2.372 1.884 2.779 . 0 0 "[ . 1 . 2]" 1
778 1 37 VAL HA 1 37 VAL MG1 . . 3.280 2.491 2.381 2.618 . 0 0 "[ . 1 . 2]" 1
779 1 37 VAL HA 1 37 VAL MG2 . . 3.130 2.414 2.289 2.555 . 0 0 "[ . 1 . 2]" 1
780 1 37 VAL HA 1 40 ASP H . . 5.400 4.771 3.866 5.478 0.078 18 0 "[ . 1 . 2]" 1
781 1 37 VAL HB 1 38 LYS H . . 3.230 3.041 2.606 3.316 0.086 11 0 "[ . 1 . 2]" 1
782 1 37 VAL MG1 1 38 LYS H . . 3.870 3.722 3.385 3.973 0.103 1 0 "[ . 1 . 2]" 1
783 1 37 VAL MG1 1 38 LYS HA . . 4.250 3.752 3.138 4.293 0.043 11 0 "[ . 1 . 2]" 1
784 1 37 VAL MG1 1 38 LYS HB2 . . 4.500 4.533 4.162 4.604 0.104 18 0 "[ . 1 . 2]" 1
785 1 37 VAL MG1 1 41 PHE QE . . 4.240 4.016 2.558 4.372 0.132 15 0 "[ . 1 . 2]" 1
786 1 37 VAL MG1 1 41 PHE HZ . . 4.210 3.972 3.475 4.294 0.084 6 0 "[ . 1 . 2]" 1
787 1 37 VAL MG2 1 38 LYS H . . 3.960 4.035 3.869 4.081 0.121 15 0 "[ . 1 . 2]" 1
788 1 38 LYS H 1 38 LYS HB2 . . 3.250 2.371 1.928 3.245 . 0 0 "[ . 1 . 2]" 1
789 1 38 LYS H 1 38 LYS HB3 . . 3.220 2.809 1.983 3.295 0.075 15 0 "[ . 1 . 2]" 1
790 1 38 LYS H 1 38 LYS QG . . 3.700 3.521 3.105 3.604 . 0 0 "[ . 1 . 2]" 1
791 1 38 LYS HA 1 38 LYS QD . . 4.270 4.077 3.927 4.361 0.091 16 0 "[ . 1 . 2]" 1
792 1 38 LYS HA 1 38 LYS QE . . 4.790 4.247 3.483 4.889 0.099 14 0 "[ . 1 . 2]" 1
793 1 38 LYS HA 1 38 LYS QG . . 3.640 2.314 2.052 2.724 . 0 0 "[ . 1 . 2]" 1
794 1 38 LYS HA 1 40 ASP H . . 4.570 3.934 3.428 4.376 . 0 0 "[ . 1 . 2]" 1
795 1 38 LYS HA 1 41 PHE QD . . 4.020 4.024 3.652 4.118 0.098 9 0 "[ . 1 . 2]" 1
796 1 38 LYS HA 1 41 PHE QE . . 4.260 2.306 1.961 3.077 . 0 0 "[ . 1 . 2]" 1
797 1 38 LYS HB3 1 38 LYS QE . . 3.610 2.707 1.915 3.652 0.042 20 0 "[ . 1 . 2]" 1
798 1 38 LYS QG 1 41 PHE HZ . . 4.590 3.614 2.145 4.486 . 0 0 "[ . 1 . 2]" 1
799 1 39 ALA H 1 39 ALA MB . . 2.920 2.635 2.293 3.015 0.095 2 0 "[ . 1 . 2]" 1
800 1 39 ALA H 1 40 ASP H . . 3.650 2.577 1.898 3.613 . 0 0 "[ . 1 . 2]" 1
801 1 39 ALA HA 1 41 PHE QD . . 4.930 3.737 2.826 4.337 . 0 0 "[ . 1 . 2]" 1
802 1 39 ALA HA 1 41 PHE QE . . 4.370 4.421 4.084 4.482 0.112 7 0 "[ . 1 . 2]" 1
803 1 39 ALA HA 1 49 VAL MG2 . . 5.090 4.611 3.918 5.197 0.107 3 0 "[ . 1 . 2]" 1
804 1 39 ALA MB 1 40 ASP H . . 4.010 3.202 2.281 3.746 . 0 0 "[ . 1 . 2]" 1
805 1 39 ALA MB 1 49 VAL HA . . 3.510 3.013 2.135 3.620 0.110 3 0 "[ . 1 . 2]" 1
806 1 39 ALA MB 1 49 VAL MG2 . . 3.570 2.925 1.909 3.705 0.135 8 0 "[ . 1 . 2]" 1
807 1 40 ASP H 1 40 ASP HB2 . . 3.700 3.156 2.248 3.770 0.070 11 0 "[ . 1 . 2]" 1
808 1 40 ASP H 1 40 ASP HB3 . . 3.440 2.605 2.102 3.385 . 0 0 "[ . 1 . 2]" 1
809 1 40 ASP H 1 49 VAL MG2 . . 4.510 3.357 2.606 4.196 . 0 0 "[ . 1 . 2]" 1
810 1 40 ASP HA 1 49 VAL H . . 5.430 4.421 3.632 5.136 . 0 0 "[ . 1 . 2]" 1
811 1 40 ASP HA 1 49 VAL MG2 . . 3.350 2.408 1.952 3.062 . 0 0 "[ . 1 . 2]" 1
812 1 40 ASP HB2 1 49 VAL MG2 . . 4.010 2.835 2.010 3.893 . 0 0 "[ . 1 . 2]" 1
813 1 40 ASP HB3 1 49 VAL MG2 . . 3.260 3.087 2.003 4.104 0.844 18 3 "[ . - 1 * . + 2]" 1
814 1 41 PHE HA 1 41 PHE QD . . 3.560 3.074 2.330 3.666 0.106 9 0 "[ . 1 . 2]" 1
815 1 41 PHE HA 1 42 GLU QG . . 4.980 4.746 3.901 5.070 0.090 7 0 "[ . 1 . 2]" 1
816 1 41 PHE HA 1 43 GLU H . . 5.500 4.690 3.320 5.576 0.076 5 0 "[ . 1 . 2]" 1
817 1 41 PHE HB2 1 42 GLU H . . 4.370 3.531 2.129 4.448 0.078 7 0 "[ . 1 . 2]" 1
818 1 41 PHE QD 1 42 GLU H . . 5.060 3.781 2.871 4.500 . 0 0 "[ . 1 . 2]" 1
819 1 42 GLU H 1 42 GLU HB2 . . 4.100 3.118 2.282 3.997 . 0 0 "[ . 1 . 2]" 1
820 1 42 GLU H 1 42 GLU HB3 . . 3.950 3.674 2.731 4.075 0.125 6 0 "[ . 1 . 2]" 1
821 1 42 GLU H 1 42 GLU QG . . 3.770 2.667 1.887 3.489 . 0 0 "[ . 1 . 2]" 1
822 1 42 GLU HA 1 42 GLU QG . . 3.310 2.716 2.203 3.397 0.087 1 0 "[ . 1 . 2]" 1
823 1 43 GLU H 1 43 GLU QB . . 3.080 2.355 1.984 3.096 0.016 7 0 "[ . 1 . 2]" 1
824 1 43 GLU H 1 43 GLU QG . . 3.780 3.321 1.868 3.885 0.105 2 0 "[ . 1 . 2]" 1
825 1 43 GLU H 1 48 ASP QB . . 4.410 3.849 2.846 4.321 . 0 0 "[ . 1 . 2]" 1
826 1 43 GLU HA 1 43 GLU QB . . 2.720 2.402 2.104 2.575 . 0 0 "[ . 1 . 2]" 1
827 1 43 GLU HA 1 43 GLU QG . . 3.340 2.628 2.084 3.443 0.103 10 0 "[ . 1 . 2]" 1
828 1 43 GLU HA 1 44 ALA H . . 2.920 2.550 2.084 3.002 0.082 12 0 "[ . 1 . 2]" 1
829 1 43 GLU QB 1 44 ALA H . . 3.780 2.900 1.911 3.861 0.081 15 0 "[ . 1 . 2]" 1
830 1 43 GLU QB 1 44 ALA HA . . 5.200 4.657 4.164 5.316 0.116 7 0 "[ . 1 . 2]" 1
831 1 43 GLU QB 1 44 ALA MB . . 5.270 4.204 3.434 5.108 . 0 0 "[ . 1 . 2]" 1
832 1 43 GLU QB 1 48 ASP QB . . 4.140 2.460 1.988 3.635 . 0 0 "[ . 1 . 2]" 1
833 1 43 GLU QG 1 44 ALA H . . 3.730 3.164 1.799 3.850 0.120 12 0 "[ . 1 . 2]" 1
834 1 43 GLU QG 1 44 ALA MB . . 4.820 4.348 2.187 4.931 0.111 4 0 "[ . 1 . 2]" 1
835 1 43 GLU QG 1 48 ASP QB . . 4.370 3.056 2.055 4.302 . 0 0 "[ . 1 . 2]" 1
836 1 44 ALA H 1 44 ALA MB . . 2.900 2.400 2.134 2.963 0.063 12 0 "[ . 1 . 2]" 1
837 1 44 ALA HA 1 45 GLY H . . 2.880 2.523 2.160 2.967 0.087 11 0 "[ . 1 . 2]" 1
838 1 44 ALA HA 1 45 GLY HA2 . . 4.660 4.451 4.205 4.733 0.073 16 0 "[ . 1 . 2]" 1
839 1 44 ALA MB 1 45 GLY H . . 4.600 3.083 1.966 3.789 . 0 0 "[ . 1 . 2]" 1
840 1 44 ALA MB 1 45 GLY HA3 . . 5.390 4.179 3.628 4.702 . 0 0 "[ . 1 . 2]" 1
841 1 45 GLY HA2 1 46 HIS H . . 3.360 3.006 2.210 3.634 0.274 12 0 "[ . 1 . 2]" 1
842 1 46 HIS H 1 46 HIS HB3 . . 4.090 3.439 2.581 4.008 . 0 0 "[ . 1 . 2]" 1
843 1 46 HIS H 1 46 HIS HD2 . . 4.710 4.305 2.844 4.789 0.079 2 0 "[ . 1 . 2]" 1
844 1 46 HIS HB2 1 49 VAL H . . 5.270 5.078 4.349 6.117 0.847 11 2 "[ . 1+ .- 2]" 1
845 1 46 HIS HB2 1 49 VAL HB . . 4.120 3.509 2.631 4.669 0.549 16 1 "[ . 1 .+ 2]" 1
846 1 46 HIS HB2 1 49 VAL MG2 . . 4.290 4.116 2.717 4.938 0.648 16 1 "[ . 1 .+ 2]" 1
847 1 46 HIS HB2 1 50 MET HG2 . . 4.430 3.623 2.061 4.792 0.362 11 0 "[ . 1 . 2]" 1
848 1 46 HIS HB2 1 70 TYR QE . . 3.650 2.737 2.088 3.738 0.088 18 0 "[ . 1 . 2]" 1
849 1 46 HIS HB3 1 46 HIS HD2 . . 3.520 2.716 2.393 3.609 0.089 6 0 "[ . 1 . 2]" 1
850 1 46 HIS HB3 1 47 GLU H . . 5.420 4.520 3.216 4.766 . 0 0 "[ . 1 . 2]" 1
851 1 46 HIS HB3 1 49 VAL HB . . 4.800 3.679 2.121 4.856 0.056 15 0 "[ . 1 . 2]" 1
852 1 46 HIS HB3 1 70 TYR QE . . 3.570 2.490 2.069 3.179 . 0 0 "[ . 1 . 2]" 1
853 1 46 HIS HD2 1 70 TYR QE . . 3.670 3.464 2.467 3.765 0.095 9 0 "[ . 1 . 2]" 1
854 1 47 GLU H 1 47 GLU HB2 . . 4.190 2.495 1.967 3.578 . 0 0 "[ . 1 . 2]" 1
855 1 47 GLU H 1 47 GLU HB3 . . 4.090 3.346 2.432 3.971 . 0 0 "[ . 1 . 2]" 1
856 1 47 GLU H 1 49 VAL MG2 . . 5.500 4.368 3.340 5.023 . 0 0 "[ . 1 . 2]" 1
857 1 47 GLU HB2 1 48 ASP QB . . 5.500 4.369 3.510 5.480 . 0 0 "[ . 1 . 2]" 1
858 1 48 ASP HA 1 51 ARG H . . 4.290 3.171 2.673 3.689 . 0 0 "[ . 1 . 2]" 1
859 1 48 ASP HA 1 51 ARG HB3 . . 4.500 3.686 2.483 4.569 0.069 12 0 "[ . 1 . 2]" 1
860 1 48 ASP QB 1 49 VAL H . . 4.280 2.950 2.349 3.594 . 0 0 "[ . 1 . 2]" 1
861 1 48 ASP QB 1 49 VAL MG2 . . 5.500 3.783 3.000 4.523 . 0 0 "[ . 1 . 2]" 1
862 1 49 VAL H 1 49 VAL HB . . 3.250 2.495 2.303 2.700 . 0 0 "[ . 1 . 2]" 1
863 1 49 VAL H 1 49 VAL MG1 . . 4.150 3.779 3.712 3.843 . 0 0 "[ . 1 . 2]" 1
864 1 49 VAL H 1 49 VAL MG2 . . 3.060 2.124 1.943 2.303 . 0 0 "[ . 1 . 2]" 1
865 1 49 VAL H 1 50 MET H . . 3.460 2.849 2.684 3.048 . 0 0 "[ . 1 . 2]" 1
866 1 49 VAL HA 1 49 VAL MG1 . . 3.230 2.516 2.359 2.612 . 0 0 "[ . 1 . 2]" 1
867 1 49 VAL HA 1 49 VAL MG2 . . 3.080 2.446 2.294 2.625 . 0 0 "[ . 1 . 2]" 1
868 1 49 VAL HA 1 52 LYS H . . 4.170 3.606 3.250 3.813 . 0 0 "[ . 1 . 2]" 1
869 1 49 VAL HA 1 52 LYS HA . . 5.500 5.440 5.096 5.587 0.087 2 0 "[ . 1 . 2]" 1
870 1 49 VAL HA 1 52 LYS HB3 . . 3.190 2.850 2.442 3.247 0.057 16 0 "[ . 1 . 2]" 1
871 1 49 VAL HB 1 50 MET H . . 3.260 2.682 2.326 3.044 . 0 0 "[ . 1 . 2]" 1
872 1 49 VAL MG1 1 50 MET H . . 4.100 3.452 2.989 3.936 . 0 0 "[ . 1 . 2]" 1
873 1 49 VAL MG1 1 50 MET HA . . 4.290 3.438 3.102 3.846 . 0 0 "[ . 1 . 2]" 1
874 1 49 VAL MG1 1 50 MET ME . . 3.480 2.777 2.043 3.600 0.120 19 0 "[ . 1 . 2]" 1
875 1 49 VAL MG1 1 70 TYR QD . . 5.010 3.781 3.338 4.319 . 0 0 "[ . 1 . 2]" 1
876 1 49 VAL MG1 1 70 TYR QE . . 2.940 2.888 2.368 3.051 0.111 10 0 "[ . 1 . 2]" 1
877 1 49 VAL MG2 1 50 MET H . . 5.500 3.965 3.641 4.136 . 0 0 "[ . 1 . 2]" 1
878 1 49 VAL MG2 1 70 TYR QE . . 4.460 3.939 3.525 4.320 . 0 0 "[ . 1 . 2]" 1
879 1 50 MET H 1 50 MET ME . . 4.020 3.626 2.864 4.112 0.092 1 0 "[ . 1 . 2]" 1
880 1 50 MET H 1 50 MET HG2 . . 3.790 2.395 2.154 3.286 . 0 0 "[ . 1 . 2]" 1
881 1 50 MET H 1 50 MET HG3 . . 4.150 3.709 3.434 4.108 . 0 0 "[ . 1 . 2]" 1
882 1 50 MET H 1 51 ARG H . . 3.540 2.707 2.360 2.875 . 0 0 "[ . 1 . 2]" 1
883 1 50 MET H 1 53 VAL QG . . 4.990 4.317 4.079 4.548 . 0 0 "[ . 1 . 2]" 1
884 1 50 MET HA 1 50 MET ME . . 3.360 2.056 1.939 2.328 . 0 0 "[ . 1 . 2]" 1
885 1 50 MET HA 1 52 LYS H . . 5.120 4.433 4.057 4.699 . 0 0 "[ . 1 . 2]" 1
886 1 50 MET HA 1 53 VAL H . . 3.710 3.521 3.277 3.711 0.001 18 0 "[ . 1 . 2]" 1
887 1 50 MET HA 1 53 VAL QG . . 3.090 2.150 1.982 2.481 . 0 0 "[ . 1 . 2]" 1
888 1 50 MET HA 1 54 LEU H . . 4.340 3.923 3.715 4.139 . 0 0 "[ . 1 . 2]" 1
889 1 50 MET HA 1 54 LEU QD . . 4.420 3.184 2.661 3.763 . 0 0 "[ . 1 . 2]" 1
890 1 50 MET HB2 1 50 MET ME . . 4.060 3.828 3.528 4.011 . 0 0 "[ . 1 . 2]" 1
891 1 50 MET HB2 1 51 ARG H . . 3.910 2.676 2.375 2.997 . 0 0 "[ . 1 . 2]" 1
892 1 50 MET HB3 1 50 MET ME . . 3.250 3.003 2.254 3.359 0.109 13 0 "[ . 1 . 2]" 1
893 1 50 MET HB3 1 51 ARG H . . 4.120 3.763 3.438 4.035 . 0 0 "[ . 1 . 2]" 1
894 1 50 MET HB3 1 54 LEU QD . . 4.160 2.365 2.232 2.692 . 0 0 "[ . 1 . 2]" 1
895 1 50 MET HB3 1 67 ARG HE . . 5.100 4.799 3.752 5.177 0.077 5 0 "[ . 1 . 2]" 1
896 1 50 MET ME 1 53 VAL QG . . 3.470 2.460 2.043 3.189 . 0 0 "[ . 1 . 2]" 1
897 1 50 MET ME 1 66 VAL MG1 . . 3.410 2.887 2.156 3.547 0.137 4 0 "[ . 1 . 2]" 1
898 1 50 MET ME 1 67 ARG HA . . 3.410 3.001 2.110 3.503 0.093 12 0 "[ . 1 . 2]" 1
899 1 50 MET ME 1 70 TYR H . . 4.500 4.205 3.536 4.559 0.059 18 0 "[ . 1 . 2]" 1
900 1 50 MET ME 1 70 TYR HB2 . . 3.410 2.626 2.181 3.458 0.048 18 0 "[ . 1 . 2]" 1
901 1 50 MET ME 1 70 TYR HB3 . . 4.620 2.753 2.275 3.133 . 0 0 "[ . 1 . 2]" 1
902 1 50 MET ME 1 70 TYR QD . . 3.350 2.858 2.218 3.193 . 0 0 "[ . 1 . 2]" 1
903 1 50 MET ME 1 70 TYR QE . . 4.080 3.785 3.337 4.194 0.114 8 0 "[ . 1 . 2]" 1
904 1 50 MET HG3 1 54 LEU QD . . 4.280 4.203 3.938 4.336 0.056 12 0 "[ . 1 . 2]" 1
905 1 50 MET HG3 1 70 TYR QD . . 5.500 5.295 4.677 5.598 0.098 9 0 "[ . 1 . 2]" 1
906 1 51 ARG H 1 51 ARG HB2 . . 3.240 2.318 2.023 3.465 0.225 1 0 "[ . 1 . 2]" 1
907 1 51 ARG H 1 51 ARG HB3 . . 3.380 3.111 2.162 3.472 0.092 17 0 "[ . 1 . 2]" 1
908 1 51 ARG H 1 51 ARG HG2 . . 4.030 3.617 2.535 4.338 0.308 14 0 "[ . 1 . 2]" 1
909 1 51 ARG H 1 51 ARG HG3 . . 4.250 3.492 2.038 4.328 0.078 2 0 "[ . 1 . 2]" 1
910 1 51 ARG H 1 52 LYS H . . 3.670 2.778 2.461 2.976 . 0 0 "[ . 1 . 2]" 1
911 1 51 ARG H 1 53 VAL QG . . 5.500 4.529 4.308 4.698 . 0 0 "[ . 1 . 2]" 1
912 1 51 ARG H 1 54 LEU QD . . 4.320 4.132 3.561 4.364 0.044 8 0 "[ . 1 . 2]" 1
913 1 51 ARG HA 1 51 ARG HB3 . . 3.020 2.765 2.284 3.048 0.028 10 0 "[ . 1 . 2]" 1
914 1 51 ARG HA 1 51 ARG HD2 . . 5.020 4.076 3.009 4.856 . 0 0 "[ . 1 . 2]" 1
915 1 51 ARG HA 1 51 ARG HG2 . . 4.230 2.599 2.117 3.955 . 0 0 "[ . 1 . 2]" 1
916 1 51 ARG HA 1 51 ARG HG3 . . 3.540 3.157 2.371 3.619 0.079 1 0 "[ . 1 . 2]" 1
917 1 51 ARG HA 1 54 LEU H . . 4.240 3.536 3.153 3.736 . 0 0 "[ . 1 . 2]" 1
918 1 51 ARG HA 1 54 LEU QB . . 2.940 2.552 2.414 2.764 . 0 0 "[ . 1 . 2]" 1
919 1 51 ARG HA 1 54 LEU QD . . 4.080 3.332 2.519 3.910 . 0 0 "[ . 1 . 2]" 1
920 1 51 ARG HA 1 55 GLY H . . 4.450 3.618 3.270 3.981 . 0 0 "[ . 1 . 2]" 1
921 1 51 ARG HB2 1 51 ARG HE . . 5.290 3.892 2.301 5.074 . 0 0 "[ . 1 . 2]" 1
922 1 51 ARG HB3 1 51 ARG HD2 . . 4.020 2.790 2.197 4.058 0.038 8 0 "[ . 1 . 2]" 1
923 1 51 ARG HB3 1 52 LYS H . . 4.580 3.195 2.549 4.324 . 0 0 "[ . 1 . 2]" 1
924 1 52 LYS H 1 52 LYS HB3 . . 3.370 2.635 2.306 2.891 . 0 0 "[ . 1 . 2]" 1
925 1 52 LYS H 1 53 VAL H . . 3.640 2.952 2.812 3.064 . 0 0 "[ . 1 . 2]" 1
926 1 52 LYS H 1 53 VAL QG . . 5.160 4.144 3.670 4.491 . 0 0 "[ . 1 . 2]" 1
927 1 52 LYS H 1 54 LEU H . . 5.470 4.224 4.020 4.394 . 0 0 "[ . 1 . 2]" 1
928 1 52 LYS HA 1 52 LYS HB2 . . 2.900 2.485 2.390 2.613 . 0 0 "[ . 1 . 2]" 1
929 1 52 LYS HA 1 52 LYS HG3 . . 4.030 3.505 2.586 3.697 . 0 0 "[ . 1 . 2]" 1
930 1 52 LYS HB3 1 52 LYS QD . . 3.440 2.398 2.178 3.334 . 0 0 "[ . 1 . 2]" 1
931 1 52 LYS HB3 1 53 VAL H . . 3.350 2.532 2.268 2.750 . 0 0 "[ . 1 . 2]" 1
932 1 52 LYS QD 1 53 VAL HA . . 4.520 2.946 2.449 4.201 . 0 0 "[ . 1 . 2]" 1
933 1 52 LYS QD 1 53 VAL QG . . 4.340 3.255 2.200 4.036 . 0 0 "[ . 1 . 2]" 1
934 1 52 LYS QE 1 52 LYS HG2 . . 3.260 2.815 2.482 3.211 . 0 0 "[ . 1 . 2]" 1
935 1 52 LYS HG3 1 53 VAL H . . 5.160 4.803 2.845 5.197 0.037 8 0 "[ . 1 . 2]" 1
936 1 53 VAL H 1 53 VAL HB . . 3.540 2.825 2.307 3.609 0.069 1 0 "[ . 1 . 2]" 1
937 1 53 VAL H 1 53 VAL QG . . 3.070 2.118 1.853 2.400 . 0 0 "[ . 1 . 2]" 1
938 1 53 VAL H 1 54 LEU H . . 3.640 2.565 2.404 2.644 . 0 0 "[ . 1 . 2]" 1
939 1 53 VAL H 1 54 LEU HA . . 5.120 5.176 5.046 5.203 0.083 16 0 "[ . 1 . 2]" 1
940 1 53 VAL H 1 55 GLY H . . 4.950 4.332 4.122 4.571 . 0 0 "[ . 1 . 2]" 1
941 1 53 VAL HA 1 53 VAL QG . . 3.030 2.241 2.166 2.316 . 0 0 "[ . 1 . 2]" 1
942 1 53 VAL HA 1 56 ASP H . . 3.440 3.478 3.352 3.518 0.078 20 0 "[ . 1 . 2]" 1
943 1 53 VAL HA 1 56 ASP HB2 . . 3.630 2.509 2.285 2.909 . 0 0 "[ . 1 . 2]" 1
944 1 53 VAL HA 1 56 ASP HB3 . . 3.910 3.917 3.676 3.983 0.073 7 0 "[ . 1 . 2]" 1
945 1 53 VAL HA 1 57 LEU H . . 4.490 4.123 3.729 4.553 0.063 2 0 "[ . 1 . 2]" 1
946 1 53 VAL HB 1 54 LEU H . . 3.980 3.941 3.773 4.047 0.067 15 0 "[ . 1 . 2]" 1
947 1 53 VAL QG 1 54 LEU H . . 3.400 2.340 2.166 2.578 . 0 0 "[ . 1 . 2]" 1
948 1 53 VAL QG 1 54 LEU HA . . 4.240 3.276 3.061 3.531 . 0 0 "[ . 1 . 2]" 1
949 1 53 VAL QG 1 54 LEU QB . . 4.610 3.590 3.480 3.735 . 0 0 "[ . 1 . 2]" 1
950 1 53 VAL QG 1 54 LEU QD . . 4.570 2.465 1.869 3.160 . 0 0 "[ . 1 . 2]" 1
951 1 53 VAL QG 1 54 LEU HG . . 4.270 3.485 2.322 4.344 0.074 11 0 "[ . 1 . 2]" 1
952 1 53 VAL QG 1 55 GLY H . . 5.070 4.400 4.268 4.544 . 0 0 "[ . 1 . 2]" 1
953 1 53 VAL QG 1 56 ASP H . . 5.500 4.518 4.329 4.714 . 0 0 "[ . 1 . 2]" 1
954 1 53 VAL QG 1 56 ASP HB2 . . 4.160 3.823 3.387 4.082 . 0 0 "[ . 1 . 2]" 1
955 1 53 VAL QG 1 57 LEU H . . 5.330 4.338 3.860 4.754 . 0 0 "[ . 1 . 2]" 1
956 1 53 VAL QG 1 57 LEU HG . . 4.720 3.356 2.449 4.294 . 0 0 "[ . 1 . 2]" 1
957 1 54 LEU H 1 54 LEU QB . . 3.300 2.231 2.101 2.370 . 0 0 "[ . 1 . 2]" 1
958 1 54 LEU H 1 54 LEU QD . . 4.060 2.868 2.345 3.340 . 0 0 "[ . 1 . 2]" 1
959 1 54 LEU H 1 55 GLY H . . 3.360 2.701 2.593 2.803 . 0 0 "[ . 1 . 2]" 1
960 1 54 LEU H 1 56 ASP H . . 5.200 4.110 3.775 4.331 . 0 0 "[ . 1 . 2]" 1
961 1 54 LEU HA 1 54 LEU QD . . 2.910 2.087 1.948 2.251 . 0 0 "[ . 1 . 2]" 1
962 1 54 LEU HA 1 54 LEU HG . . 3.600 3.189 2.624 3.674 0.074 17 0 "[ . 1 . 2]" 1
963 1 54 LEU HA 1 57 LEU H . . 3.810 3.441 3.170 3.733 . 0 0 "[ . 1 . 2]" 1
964 1 54 LEU HA 1 57 LEU HB2 . . 3.680 2.688 2.311 3.030 . 0 0 "[ . 1 . 2]" 1
965 1 54 LEU HA 1 57 LEU HB3 . . 4.350 4.255 3.835 4.434 0.084 4 0 "[ . 1 . 2]" 1
966 1 54 LEU HA 1 57 LEU MD1 . . 3.750 2.955 2.380 3.844 0.094 4 0 "[ . 1 . 2]" 1
967 1 54 LEU HA 1 58 ASP H . . 5.030 4.751 4.216 5.099 0.069 16 0 "[ . 1 . 2]" 1
968 1 54 LEU QB 1 55 GLY H . . 3.650 2.659 2.385 3.003 . 0 0 "[ . 1 . 2]" 1
969 1 54 LEU QD 1 55 GLY H . . 5.400 4.118 3.912 4.381 . 0 0 "[ . 1 . 2]" 1
970 1 54 LEU QD 1 63 GLU H . . 5.020 3.654 3.075 4.003 . 0 0 "[ . 1 . 2]" 1
971 1 54 LEU QD 1 63 GLU HA . . 3.330 2.171 1.936 2.459 . 0 0 "[ . 1 . 2]" 1
972 1 54 LEU QD 1 63 GLU HB2 . . 4.320 2.505 2.186 2.878 . 0 0 "[ . 1 . 2]" 1
973 1 54 LEU QD 1 63 GLU HB3 . . 4.850 3.728 3.489 3.984 . 0 0 "[ . 1 . 2]" 1
974 1 54 LEU QD 1 63 GLU QG . . 3.600 2.247 1.922 2.915 . 0 0 "[ . 1 . 2]" 1
975 1 54 LEU QD 1 64 ALA H . . 5.500 4.912 4.654 5.220 . 0 0 "[ . 1 . 2]" 1
976 1 54 LEU QD 1 66 VAL HB . . 3.080 2.682 2.345 3.112 0.032 20 0 "[ . 1 . 2]" 1
977 1 54 LEU QD 1 67 ARG H . . 5.150 4.148 3.720 4.624 . 0 0 "[ . 1 . 2]" 1
978 1 55 GLY H 1 56 ASP HA . . 5.500 5.307 5.120 5.409 . 0 0 "[ . 1 . 2]" 1
979 1 55 GLY H 1 57 LEU H . . 5.180 4.098 3.832 4.501 . 0 0 "[ . 1 . 2]" 1
980 1 55 GLY HA2 1 58 ASP H . . 5.230 3.625 3.191 4.153 . 0 0 "[ . 1 . 2]" 1
981 1 56 ASP H 1 56 ASP HB2 . . 3.320 2.257 2.151 2.389 . 0 0 "[ . 1 . 2]" 1
982 1 56 ASP H 1 56 ASP HB3 . . 3.740 3.516 3.403 3.592 . 0 0 "[ . 1 . 2]" 1
983 1 56 ASP H 1 57 LEU H . . 3.410 2.800 2.639 2.987 . 0 0 "[ . 1 . 2]" 1
984 1 56 ASP H 1 57 LEU HB2 . . 5.500 4.792 4.530 5.006 . 0 0 "[ . 1 . 2]" 1
985 1 56 ASP HA 1 58 ASP H . . 4.720 3.938 3.594 4.247 . 0 0 "[ . 1 . 2]" 1
986 1 56 ASP HB2 1 57 LEU H . . 3.770 3.185 2.572 3.807 0.037 10 0 "[ . 1 . 2]" 1
987 1 56 ASP HB3 1 57 LEU H . . 4.130 3.670 3.231 4.169 0.039 10 0 "[ . 1 . 2]" 1
988 1 57 LEU H 1 57 LEU HB2 . . 3.340 2.250 2.018 2.377 . 0 0 "[ . 1 . 2]" 1
989 1 57 LEU H 1 57 LEU HB3 . . 3.810 3.515 3.305 3.623 . 0 0 "[ . 1 . 2]" 1
990 1 57 LEU H 1 57 LEU MD1 . . 3.970 3.894 3.566 4.076 0.106 16 0 "[ . 1 . 2]" 1
991 1 57 LEU H 1 57 LEU MD2 . . 4.350 4.001 3.781 4.251 . 0 0 "[ . 1 . 2]" 1
992 1 57 LEU H 1 57 LEU HG . . 3.340 3.120 2.780 3.412 0.072 8 0 "[ . 1 . 2]" 1
993 1 57 LEU H 1 58 ASP H . . 3.160 2.556 2.251 2.887 . 0 0 "[ . 1 . 2]" 1
994 1 57 LEU H 1 58 ASP HA . . 5.210 4.787 4.481 5.158 . 0 0 "[ . 1 . 2]" 1
995 1 57 LEU HA 1 57 LEU MD1 . . 3.960 3.801 3.698 3.868 . 0 0 "[ . 1 . 2]" 1
996 1 57 LEU HA 1 57 LEU MD2 . . 2.770 2.077 1.994 2.168 . 0 0 "[ . 1 . 2]" 1
997 1 57 LEU HA 1 57 LEU HG . . 3.470 2.896 2.711 3.158 . 0 0 "[ . 1 . 2]" 1
998 1 57 LEU HA 1 58 ASP HB3 . . 4.930 4.531 4.140 4.954 0.024 6 0 "[ . 1 . 2]" 1
999 1 57 LEU HA 1 60 LYS H . . 4.540 3.910 3.619 4.584 0.044 4 0 "[ . 1 . 2]" 1
1000 1 57 LEU HA 1 60 LYS QD . . 3.900 3.577 2.860 3.985 0.085 20 0 "[ . 1 . 2]" 1
1001 1 57 LEU HB2 1 57 LEU MD1 . . 3.230 2.296 2.224 2.438 . 0 0 "[ . 1 . 2]" 1
1002 1 57 LEU HB2 1 58 ASP H . . 3.740 3.216 2.938 3.494 . 0 0 "[ . 1 . 2]" 1
1003 1 57 LEU HB2 1 59 GLY H . . 4.540 3.285 3.000 3.841 . 0 0 "[ . 1 . 2]" 1
1004 1 57 LEU HB2 1 60 LYS H . . 4.270 3.865 3.601 4.125 . 0 0 "[ . 1 . 2]" 1
1005 1 57 LEU HB2 1 61 ARG H . . 4.810 4.396 4.124 4.730 . 0 0 "[ . 1 . 2]" 1
1006 1 57 LEU HB3 1 57 LEU MD1 . . 2.920 2.289 2.157 2.450 . 0 0 "[ . 1 . 2]" 1
1007 1 57 LEU HB3 1 57 LEU MD2 . . 2.920 2.508 2.356 2.795 . 0 0 "[ . 1 . 2]" 1
1008 1 57 LEU HB3 1 58 ASP H . . 4.100 3.667 3.223 3.969 . 0 0 "[ . 1 . 2]" 1
1009 1 57 LEU HB3 1 59 GLY H . . 4.160 2.875 2.342 3.387 . 0 0 "[ . 1 . 2]" 1
1010 1 57 LEU HB3 1 60 LYS H . . 3.270 2.357 2.053 2.650 . 0 0 "[ . 1 . 2]" 1
1011 1 57 LEU HB3 1 60 LYS HB2 . . 3.060 2.581 2.224 3.108 0.048 20 0 "[ . 1 . 2]" 1
1012 1 57 LEU HB3 1 61 ARG H . . 4.920 3.100 2.844 3.492 . 0 0 "[ . 1 . 2]" 1
1013 1 57 LEU MD1 1 59 GLY H . . 5.500 4.324 3.833 4.850 . 0 0 "[ . 1 . 2]" 1
1014 1 57 LEU MD1 1 60 LYS H . . 5.500 3.838 2.916 4.500 . 0 0 "[ . 1 . 2]" 1
1015 1 57 LEU MD1 1 61 ARG H . . 4.730 2.726 2.284 3.275 . 0 0 "[ . 1 . 2]" 1
1016 1 57 LEU MD1 1 61 ARG HA . . 4.590 4.420 4.053 4.691 0.101 5 0 "[ . 1 . 2]" 1
1017 1 57 LEU MD1 1 61 ARG QB . . 4.550 2.241 2.057 2.547 . 0 0 "[ . 1 . 2]" 1
1018 1 57 LEU MD1 1 61 ARG HG3 . . 4.950 3.804 3.072 4.141 . 0 0 "[ . 1 . 2]" 1
1019 1 57 LEU MD1 1 66 VAL MG2 . . 3.140 2.049 1.879 2.439 . 0 0 "[ . 1 . 2]" 1
1020 1 57 LEU MD2 1 59 GLY H . . 5.500 4.814 4.469 5.336 . 0 0 "[ . 1 . 2]" 1
1021 1 57 LEU MD2 1 60 LYS H . . 4.310 3.593 3.389 3.834 . 0 0 "[ . 1 . 2]" 1
1022 1 57 LEU MD2 1 60 LYS HA . . 5.260 4.551 4.276 4.904 . 0 0 "[ . 1 . 2]" 1
1023 1 57 LEU MD2 1 60 LYS HB2 . . 4.050 2.219 2.131 2.301 . 0 0 "[ . 1 . 2]" 1
1024 1 57 LEU MD2 1 60 LYS HB3 . . 4.030 2.617 2.330 3.038 . 0 0 "[ . 1 . 2]" 1
1025 1 57 LEU MD2 1 60 LYS QD . . 3.200 2.751 2.422 3.056 . 0 0 "[ . 1 . 2]" 1
1026 1 57 LEU MD2 1 60 LYS HG2 . . 5.010 4.446 4.259 4.697 . 0 0 "[ . 1 . 2]" 1
1027 1 57 LEU MD2 1 61 ARG H . . 4.850 3.623 3.140 4.397 . 0 0 "[ . 1 . 2]" 1
1028 1 57 LEU MD2 1 61 ARG HG2 . . 5.040 3.440 2.770 4.156 . 0 0 "[ . 1 . 2]" 1
1029 1 57 LEU MD2 1 61 ARG HG3 . . 5.440 3.908 3.141 4.630 . 0 0 "[ . 1 . 2]" 1
1030 1 58 ASP H 1 58 ASP HA . . 2.730 2.251 2.210 2.290 . 0 0 "[ . 1 . 2]" 1
1031 1 58 ASP H 1 58 ASP HB2 . . 3.560 3.035 2.897 3.191 . 0 0 "[ . 1 . 2]" 1
1032 1 58 ASP H 1 58 ASP HB3 . . 3.850 3.693 3.383 3.862 0.012 6 0 "[ . 1 . 2]" 1
1033 1 58 ASP H 1 59 GLY H . . 3.680 2.763 2.562 2.871 . 0 0 "[ . 1 . 2]" 1
1034 1 58 ASP H 1 60 LYS H . . 4.170 4.223 4.141 4.254 0.084 20 0 "[ . 1 . 2]" 1
1035 1 58 ASP HA 1 59 GLY H . . 3.160 3.007 2.643 3.236 0.076 12 0 "[ . 1 . 2]" 1
1036 1 58 ASP HA 1 60 LYS H . . 5.080 4.663 4.478 4.882 . 0 0 "[ . 1 . 2]" 1
1037 1 58 ASP HB2 1 59 GLY H . . 5.130 4.481 4.089 4.639 . 0 0 "[ . 1 . 2]" 1
1038 1 58 ASP HB2 1 60 LYS HG3 . . 5.040 5.055 4.671 5.123 0.083 16 0 "[ . 1 . 2]" 1
1039 1 58 ASP HB3 1 59 GLY H . . 4.810 4.022 3.448 4.402 . 0 0 "[ . 1 . 2]" 1
1040 1 58 ASP HB3 1 60 LYS HG3 . . 4.180 3.636 3.394 4.104 . 0 0 "[ . 1 . 2]" 1
1041 1 59 GLY H 1 60 LYS H . . 3.400 2.465 2.004 2.865 . 0 0 "[ . 1 . 2]" 1
1042 1 59 GLY H 1 60 LYS HB2 . . 4.820 4.256 3.802 4.700 . 0 0 "[ . 1 . 2]" 1
1043 1 59 GLY H 1 61 ARG H . . 4.710 4.165 3.792 4.604 . 0 0 "[ . 1 . 2]" 1
1044 1 59 GLY HA2 1 61 ARG H . . 4.740 3.577 3.224 3.927 . 0 0 "[ . 1 . 2]" 1
1045 1 59 GLY HA3 1 61 ARG H . . 5.020 4.676 4.341 5.084 0.064 4 0 "[ . 1 . 2]" 1
1046 1 60 LYS H 1 60 LYS HB2 . . 2.740 2.078 2.036 2.109 . 0 0 "[ . 1 . 2]" 1
1047 1 60 LYS H 1 60 LYS HB3 . . 3.320 3.400 3.382 3.407 0.087 19 0 "[ . 1 . 2]" 1
1048 1 60 LYS H 1 60 LYS QD . . 4.480 4.102 3.874 4.321 . 0 0 "[ . 1 . 2]" 1
1049 1 60 LYS H 1 60 LYS HG2 . . 4.120 3.973 3.748 4.187 0.067 13 0 "[ . 1 . 2]" 1
1050 1 60 LYS H 1 60 LYS HG3 . . 3.860 3.053 2.788 3.257 . 0 0 "[ . 1 . 2]" 1
1051 1 60 LYS H 1 61 ARG H . . 3.190 2.882 2.499 3.053 . 0 0 "[ . 1 . 2]" 1
1052 1 60 LYS HA 1 60 LYS HB2 . . 2.820 2.910 2.902 2.917 0.097 9 0 "[ . 1 . 2]" 1
1053 1 60 LYS HA 1 60 LYS HG2 . . 3.290 2.291 2.177 2.424 . 0 0 "[ . 1 . 2]" 1
1054 1 60 LYS HA 1 60 LYS HG3 . . 3.880 2.760 2.522 2.968 . 0 0 "[ . 1 . 2]" 1
1055 1 60 LYS HB2 1 61 ARG H . . 3.540 3.354 3.138 3.574 0.034 20 0 "[ . 1 . 2]" 1
1056 1 60 LYS HB3 1 61 ARG H . . 4.660 3.576 3.305 3.747 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ARG H 1 61 ARG QB . . 3.190 2.813 2.675 2.922 . 0 0 "[ . 1 . 2]" 1
1058 1 61 ARG H 1 61 ARG HD3 . . 5.500 4.625 4.437 5.111 . 0 0 "[ . 1 . 2]" 1
1059 1 61 ARG H 1 61 ARG HG2 . . 4.580 3.700 3.427 3.905 . 0 0 "[ . 1 . 2]" 1
1060 1 61 ARG H 1 62 PRO HD3 . . 5.260 4.816 4.671 4.944 . 0 0 "[ . 1 . 2]" 1
1061 1 61 ARG H 1 66 VAL MG2 . . 4.720 4.152 3.517 4.632 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ARG HA 1 61 ARG HD2 . . 3.430 3.063 2.842 3.327 . 0 0 "[ . 1 . 2]" 1
1063 1 61 ARG HA 1 61 ARG HD3 . . 3.380 2.212 2.058 2.546 . 0 0 "[ . 1 . 2]" 1
1064 1 61 ARG HA 1 62 PRO HD2 . . 3.280 2.408 2.220 2.519 . 0 0 "[ . 1 . 2]" 1
1065 1 61 ARG HA 1 62 PRO HD3 . . 2.940 2.442 2.331 2.606 . 0 0 "[ . 1 . 2]" 1
1066 1 61 ARG HA 1 62 PRO HG2 . . 4.810 4.552 4.406 4.642 . 0 0 "[ . 1 . 2]" 1
1067 1 61 ARG HA 1 62 PRO HG3 . . 4.820 4.592 4.528 4.680 . 0 0 "[ . 1 . 2]" 1
1068 1 61 ARG QB 1 61 ARG HE . . 4.970 4.142 3.757 4.433 . 0 0 "[ . 1 . 2]" 1
1069 1 61 ARG QB 1 62 PRO HA . . 4.890 4.535 4.406 4.624 . 0 0 "[ . 1 . 2]" 1
1070 1 61 ARG QB 1 62 PRO HD2 . . 4.510 2.284 2.156 2.547 . 0 0 "[ . 1 . 2]" 1
1071 1 61 ARG QB 1 62 PRO HD3 . . 4.570 3.622 3.525 3.895 . 0 0 "[ . 1 . 2]" 1
1072 1 61 ARG QB 1 62 PRO HG2 . . 4.990 3.805 3.585 3.971 . 0 0 "[ . 1 . 2]" 1
1073 1 61 ARG QB 1 65 GLU HB3 . . 4.310 2.892 2.484 3.082 . 0 0 "[ . 1 . 2]" 1
1074 1 61 ARG QB 1 66 VAL H . . 4.770 4.066 3.599 4.466 . 0 0 "[ . 1 . 2]" 1
1075 1 61 ARG QB 1 66 VAL MG2 . . 3.160 2.461 1.988 2.872 . 0 0 "[ . 1 . 2]" 1
1076 1 61 ARG HD2 1 62 PRO HD2 . . 4.340 2.566 2.062 3.114 . 0 0 "[ . 1 . 2]" 1
1077 1 61 ARG HD3 1 62 PRO HD2 . . 4.400 3.041 2.652 3.411 . 0 0 "[ . 1 . 2]" 1
1078 1 61 ARG HD3 1 62 PRO HD3 . . 4.420 3.602 3.204 4.048 . 0 0 "[ . 1 . 2]" 1
1079 1 61 ARG HG2 1 66 VAL MG2 . . 5.500 4.643 3.960 5.147 . 0 0 "[ . 1 . 2]" 1
1080 1 61 ARG HG3 1 62 PRO HD2 . . 5.500 4.213 4.021 4.461 . 0 0 "[ . 1 . 2]" 1
1081 1 61 ARG HG3 1 66 VAL MG2 . . 4.890 3.960 3.020 4.538 . 0 0 "[ . 1 . 2]" 1
1082 1 62 PRO HA 1 63 GLU H . . 2.670 2.219 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
1083 1 62 PRO HA 1 63 GLU HA . . 4.640 4.381 4.316 4.511 . 0 0 "[ . 1 . 2]" 1
1084 1 62 PRO HA 1 63 GLU HB3 . . 4.690 4.667 4.165 4.764 0.074 12 0 "[ . 1 . 2]" 1
1085 1 62 PRO HA 1 64 ALA H . . 4.220 4.126 3.948 4.270 0.050 2 0 "[ . 1 . 2]" 1
1086 1 62 PRO HA 1 65 GLU H . . 5.240 4.796 4.692 5.006 . 0 0 "[ . 1 . 2]" 1
1087 1 62 PRO HB2 1 63 GLU H . . 4.310 3.215 2.981 3.375 . 0 0 "[ . 1 . 2]" 1
1088 1 62 PRO HB2 1 64 ALA H . . 3.980 2.585 2.337 2.708 . 0 0 "[ . 1 . 2]" 1
1089 1 62 PRO HB2 1 65 GLU H . . 3.450 2.876 2.765 2.936 . 0 0 "[ . 1 . 2]" 1
1090 1 62 PRO HB2 1 66 VAL MG2 . . 4.940 5.016 4.893 5.043 0.103 19 0 "[ . 1 . 2]" 1
1091 1 62 PRO HB3 1 63 GLU H . . 3.940 3.707 3.507 3.863 . 0 0 "[ . 1 . 2]" 1
1092 1 62 PRO HB3 1 64 ALA H . . 4.130 4.136 3.914 4.199 0.069 12 0 "[ . 1 . 2]" 1
1093 1 62 PRO HB3 1 65 GLU H . . 4.420 4.486 4.429 4.500 0.080 9 0 "[ . 1 . 2]" 1
1094 1 62 PRO HD2 1 65 GLU HB2 . . 4.200 3.545 3.237 3.904 . 0 0 "[ . 1 . 2]" 1
1095 1 62 PRO HD2 1 65 GLU HB3 . . 3.930 3.105 2.851 3.481 . 0 0 "[ . 1 . 2]" 1
1096 1 62 PRO HD3 1 65 GLU H . . 5.270 5.312 5.229 5.348 0.078 12 0 "[ . 1 . 2]" 1
1097 1 62 PRO HG2 1 64 ALA H . . 5.210 4.303 4.054 4.489 . 0 0 "[ . 1 . 2]" 1
1098 1 62 PRO HG2 1 65 GLU H . . 4.400 2.529 2.402 2.757 . 0 0 "[ . 1 . 2]" 1
1099 1 62 PRO HG3 1 65 GLU H . . 4.580 4.140 3.940 4.402 . 0 0 "[ . 1 . 2]" 1
1100 1 63 GLU H 1 63 GLU HB2 . . 3.000 2.469 2.287 2.578 . 0 0 "[ . 1 . 2]" 1
1101 1 63 GLU H 1 63 GLU HB3 . . 3.070 2.502 2.188 2.625 . 0 0 "[ . 1 . 2]" 1
1102 1 63 GLU H 1 63 GLU QG . . 4.470 3.952 3.821 3.986 . 0 0 "[ . 1 . 2]" 1
1103 1 63 GLU H 1 64 ALA H . . 3.230 2.862 2.690 3.073 . 0 0 "[ . 1 . 2]" 1
1104 1 63 GLU H 1 64 ALA MB . . 5.020 4.517 4.317 4.673 . 0 0 "[ . 1 . 2]" 1
1105 1 63 GLU H 1 65 GLU H . . 4.930 4.609 4.446 4.756 . 0 0 "[ . 1 . 2]" 1
1106 1 63 GLU H 1 66 VAL H . . 5.500 4.942 4.770 5.119 . 0 0 "[ . 1 . 2]" 1
1107 1 63 GLU H 1 66 VAL MG2 . . 5.500 4.363 4.091 4.867 . 0 0 "[ . 1 . 2]" 1
1108 1 63 GLU HA 1 63 GLU HB2 . . 2.750 2.440 2.276 2.542 . 0 0 "[ . 1 . 2]" 1
1109 1 63 GLU HA 1 63 GLU QG . . 3.720 2.442 2.289 3.126 . 0 0 "[ . 1 . 2]" 1
1110 1 63 GLU HA 1 65 GLU H . . 4.600 4.503 4.347 4.666 0.066 14 0 "[ . 1 . 2]" 1
1111 1 63 GLU HA 1 66 VAL H . . 3.850 3.413 3.237 3.687 . 0 0 "[ . 1 . 2]" 1
1112 1 63 GLU HA 1 66 VAL HB . . 3.430 2.455 2.146 2.963 . 0 0 "[ . 1 . 2]" 1
1113 1 63 GLU HA 1 66 VAL MG2 . . 3.680 2.952 2.356 3.515 . 0 0 "[ . 1 . 2]" 1
1114 1 63 GLU HA 1 67 ARG H . . 4.570 3.821 3.401 4.306 . 0 0 "[ . 1 . 2]" 1
1115 1 63 GLU HB2 1 64 ALA H . . 3.990 4.013 3.786 4.066 0.076 9 0 "[ . 1 . 2]" 1
1116 1 63 GLU HB3 1 64 ALA H . . 3.190 2.766 2.528 3.004 . 0 0 "[ . 1 . 2]" 1
1117 1 63 GLU QG 1 64 ALA H . . 5.000 3.664 3.217 3.982 . 0 0 "[ . 1 . 2]" 1
1118 1 63 GLU QG 1 67 ARG HD2 . . 4.760 2.921 2.022 4.021 . 0 0 "[ . 1 . 2]" 1
1119 1 63 GLU QG 1 67 ARG HD3 . . 4.990 3.557 2.069 4.840 . 0 0 "[ . 1 . 2]" 1
1120 1 63 GLU QG 1 67 ARG HE . . 4.390 3.018 2.024 4.077 . 0 0 "[ . 1 . 2]" 1
1121 1 64 ALA H 1 64 ALA MB . . 2.780 2.245 2.194 2.290 . 0 0 "[ . 1 . 2]" 1
1122 1 64 ALA H 1 65 GLU H . . 3.260 2.960 2.842 3.071 . 0 0 "[ . 1 . 2]" 1
1123 1 64 ALA H 1 66 VAL H . . 4.660 4.239 4.108 4.396 . 0 0 "[ . 1 . 2]" 1
1124 1 64 ALA H 1 67 ARG H . . 5.500 4.833 4.677 5.019 . 0 0 "[ . 1 . 2]" 1
1125 1 64 ALA HA 1 67 ARG H . . 3.980 3.718 3.129 4.037 0.057 14 0 "[ . 1 . 2]" 1
1126 1 64 ALA HA 1 67 ARG HD2 . . 4.450 3.853 2.220 5.195 0.745 13 4 "[ . - *+ .* 2]" 1
1127 1 64 ALA HA 1 67 ARG HD3 . . 5.120 4.035 2.637 5.197 0.077 19 0 "[ . 1 . 2]" 1
1128 1 64 ALA HA 1 67 ARG HG2 . . 4.190 3.001 2.214 4.245 0.055 6 0 "[ . 1 . 2]" 1
1129 1 64 ALA HA 1 67 ARG HG3 . . 3.650 3.307 2.239 4.229 0.579 15 3 "[ * . 1- + 2]" 1
1130 1 64 ALA HA 1 68 ALA H . . 4.400 4.083 3.732 4.462 0.062 14 0 "[ . 1 . 2]" 1
1131 1 64 ALA MB 1 65 GLU H . . 3.420 2.583 2.407 2.864 . 0 0 "[ . 1 . 2]" 1
1132 1 64 ALA MB 1 66 VAL H . . 4.620 4.529 4.327 4.683 0.063 5 0 "[ . 1 . 2]" 1
1133 1 65 GLU H 1 65 GLU HB2 . . 3.170 2.422 2.304 2.494 . 0 0 "[ . 1 . 2]" 1
1134 1 65 GLU H 1 65 GLU HB3 . . 3.120 2.508 2.382 2.724 . 0 0 "[ . 1 . 2]" 1
1135 1 65 GLU H 1 65 GLU HG3 . . 4.250 4.326 4.308 4.334 0.084 20 0 "[ . 1 . 2]" 1
1136 1 65 GLU H 1 66 VAL H . . 3.020 2.611 2.462 2.764 . 0 0 "[ . 1 . 2]" 1
1137 1 65 GLU H 1 66 VAL MG2 . . 4.440 3.926 3.746 4.185 . 0 0 "[ . 1 . 2]" 1
1138 1 65 GLU H 1 67 ARG H . . 4.590 4.398 4.172 4.643 0.053 4 0 "[ . 1 . 2]" 1
1139 1 65 GLU H 1 68 ALA H . . 5.140 4.975 4.761 5.149 0.009 13 0 "[ . 1 . 2]" 1
1140 1 65 GLU HA 1 65 GLU HB3 . . 2.790 3.058 3.031 3.074 0.284 14 0 "[ . 1 . 2]" 1
1141 1 65 GLU HA 1 65 GLU HG3 . . 3.470 2.390 2.265 2.612 . 0 0 "[ . 1 . 2]" 1
1142 1 65 GLU HA 1 66 VAL H . . 3.570 3.558 3.477 3.602 0.032 20 0 "[ . 1 . 2]" 1
1143 1 65 GLU HA 1 68 ALA H . . 3.960 3.828 3.461 4.031 0.071 1 0 "[ . 1 . 2]" 1
1144 1 65 GLU HA 1 68 ALA MB . . 2.890 2.855 2.481 2.979 0.089 1 0 "[ . 1 . 2]" 1
1145 1 65 GLU HA 1 69 LYS H . . 4.880 4.109 3.850 4.540 . 0 0 "[ . 1 . 2]" 1
1146 1 65 GLU HB2 1 66 VAL H . . 3.960 3.845 3.735 3.954 . 0 0 "[ . 1 . 2]" 1
1147 1 65 GLU HB3 1 66 VAL H . . 3.890 2.617 2.383 3.014 . 0 0 "[ . 1 . 2]" 1
1148 1 65 GLU HB3 1 66 VAL MG2 . . 4.960 3.022 2.714 3.402 . 0 0 "[ . 1 . 2]" 1
1149 1 65 GLU HG2 1 66 VAL H . . 4.550 3.916 3.557 4.514 . 0 0 "[ . 1 . 2]" 1
1150 1 65 GLU HG3 1 69 LYS H . . 5.500 4.954 4.074 5.549 0.049 18 0 "[ . 1 . 2]" 1
1151 1 66 VAL H 1 66 VAL HB . . 2.880 2.456 2.314 2.682 . 0 0 "[ . 1 . 2]" 1
1152 1 66 VAL H 1 66 VAL MG1 . . 3.790 3.749 3.705 3.776 . 0 0 "[ . 1 . 2]" 1
1153 1 66 VAL H 1 66 VAL MG2 . . 2.960 2.080 1.923 2.283 . 0 0 "[ . 1 . 2]" 1
1154 1 66 VAL H 1 67 ARG H . . 3.330 2.839 2.503 3.069 . 0 0 "[ . 1 . 2]" 1
1155 1 66 VAL HA 1 66 VAL MG1 . . 3.250 2.486 2.404 2.585 . 0 0 "[ . 1 . 2]" 1
1156 1 66 VAL HA 1 66 VAL MG2 . . 3.100 2.440 2.337 2.582 . 0 0 "[ . 1 . 2]" 1
1157 1 66 VAL HA 1 68 ALA H . . 5.500 4.654 4.368 5.010 . 0 0 "[ . 1 . 2]" 1
1158 1 66 VAL HA 1 69 LYS H . . 4.120 3.612 3.417 3.845 . 0 0 "[ . 1 . 2]" 1
1159 1 66 VAL HA 1 69 LYS HB2 . . 4.040 3.106 2.787 3.363 . 0 0 "[ . 1 . 2]" 1
1160 1 66 VAL HA 1 69 LYS HB3 . . 3.520 3.182 2.893 3.589 0.069 14 0 "[ . 1 . 2]" 1
1161 1 66 VAL HA 1 69 LYS HG2 . . 5.050 4.506 3.982 4.904 . 0 0 "[ . 1 . 2]" 1
1162 1 66 VAL HA 1 70 TYR H . . 4.880 4.328 3.995 4.760 . 0 0 "[ . 1 . 2]" 1
1163 1 66 VAL HB 1 67 ARG H . . 3.140 2.609 2.470 2.818 . 0 0 "[ . 1 . 2]" 1
1164 1 66 VAL MG1 1 67 ARG H . . 4.310 3.406 3.139 3.859 . 0 0 "[ . 1 . 2]" 1
1165 1 66 VAL MG1 1 67 ARG HA . . 4.440 3.562 3.214 4.127 . 0 0 "[ . 1 . 2]" 1
1166 1 66 VAL MG2 1 67 ARG H . . 4.290 3.935 3.694 4.115 . 0 0 "[ . 1 . 2]" 1
1167 1 67 ARG H 1 67 ARG QB . . 3.850 2.647 2.311 3.061 . 0 0 "[ . 1 . 2]" 1
1168 1 67 ARG H 1 67 ARG HD2 . . 5.500 3.991 2.503 4.916 . 0 0 "[ . 1 . 2]" 1
1169 1 67 ARG H 1 67 ARG HG2 . . 4.140 2.356 2.090 2.652 . 0 0 "[ . 1 . 2]" 1
1170 1 67 ARG H 1 67 ARG HG3 . . 3.600 3.387 2.447 3.978 0.378 15 0 "[ . 1 . 2]" 1
1171 1 67 ARG H 1 68 ALA H . . 3.250 2.758 2.672 2.890 . 0 0 "[ . 1 . 2]" 1
1172 1 67 ARG H 1 68 ALA MB . . 4.430 4.422 4.291 4.495 0.065 18 0 "[ . 1 . 2]" 1
1173 1 67 ARG HA 1 67 ARG HD3 . . 4.910 4.483 2.671 5.592 0.682 5 6 "[ * + *1* * - 2]" 1
1174 1 67 ARG HA 1 67 ARG HG3 . . 4.110 3.850 3.751 4.214 0.104 4 0 "[ . 1 . 2]" 1
1175 1 67 ARG HA 1 70 TYR HB2 . . 4.100 3.805 3.240 4.161 0.061 19 0 "[ . 1 . 2]" 1
1176 1 67 ARG HA 1 70 TYR HB3 . . 3.460 3.019 2.635 3.433 . 0 0 "[ . 1 . 2]" 1
1177 1 67 ARG HA 1 70 TYR QD . . 5.090 4.355 3.929 4.824 . 0 0 "[ . 1 . 2]" 1
1178 1 67 ARG HG2 1 68 ALA H . . 4.210 3.326 2.131 4.327 0.117 8 0 "[ . 1 . 2]" 1
1179 1 67 ARG HG3 1 68 ALA H . . 4.250 3.599 2.494 4.340 0.090 16 0 "[ . 1 . 2]" 1
1180 1 68 ALA H 1 68 ALA MB . . 2.650 2.261 2.162 2.337 . 0 0 "[ . 1 . 2]" 1
1181 1 68 ALA H 1 69 LYS H . . 3.170 2.840 2.598 3.082 . 0 0 "[ . 1 . 2]" 1
1182 1 68 ALA HA 1 71 GLU QB . . 3.280 2.693 2.258 3.285 0.005 7 0 "[ . 1 . 2]" 1
1183 1 68 ALA HA 1 71 GLU QG . . 4.060 3.661 2.734 4.147 0.087 8 0 "[ . 1 . 2]" 1
1184 1 68 ALA HA 1 72 GLY H . . 4.360 3.719 3.311 4.026 . 0 0 "[ . 1 . 2]" 1
1185 1 68 ALA MB 1 69 LYS H . . 3.400 2.535 2.330 2.759 . 0 0 "[ . 1 . 2]" 1
1186 1 68 ALA MB 1 72 GLY H . . 5.500 4.439 4.235 4.683 . 0 0 "[ . 1 . 2]" 1
1187 1 68 ALA MB 1 72 GLY HA3 . . 4.960 4.971 4.590 5.058 0.098 18 0 "[ . 1 . 2]" 1
1188 1 69 LYS H 1 69 LYS HB2 . . 3.160 2.231 1.891 2.411 . 0 0 "[ . 1 . 2]" 1
1189 1 69 LYS H 1 69 LYS HB3 . . 2.890 2.847 2.730 2.973 0.083 8 0 "[ . 1 . 2]" 1
1190 1 69 LYS H 1 69 LYS QD . . 4.830 3.843 3.436 4.079 . 0 0 "[ . 1 . 2]" 1
1191 1 69 LYS H 1 69 LYS HG2 . . 4.710 4.581 4.201 4.713 0.003 5 0 "[ . 1 . 2]" 1
1192 1 69 LYS H 1 69 LYS HG3 . . 4.940 4.460 4.228 4.589 . 0 0 "[ . 1 . 2]" 1
1193 1 69 LYS H 1 70 TYR H . . 3.320 2.899 2.783 3.055 . 0 0 "[ . 1 . 2]" 1
1194 1 69 LYS HA 1 69 LYS QD . . 3.270 2.293 2.093 2.489 . 0 0 "[ . 1 . 2]" 1
1195 1 69 LYS HA 1 69 LYS HE3 . . 4.680 4.594 3.993 4.758 0.078 8 0 "[ . 1 . 2]" 1
1196 1 69 LYS HA 1 69 LYS HG3 . . 3.870 2.600 2.337 2.751 . 0 0 "[ . 1 . 2]" 1
1197 1 69 LYS HA 1 72 GLY H . . 4.120 4.045 3.830 4.196 0.076 15 0 "[ . 1 . 2]" 1
1198 1 69 LYS HB2 1 69 LYS HE3 . . 4.370 4.282 3.734 4.619 0.249 13 0 "[ . 1 . 2]" 1
1199 1 69 LYS HB2 1 70 TYR H . . 4.060 3.595 3.173 3.852 . 0 0 "[ . 1 . 2]" 1
1200 1 69 LYS HB3 1 70 TYR H . . 3.320 2.465 2.275 2.911 . 0 0 "[ . 1 . 2]" 1
1201 1 69 LYS HB3 1 70 TYR HA . . 4.740 4.022 3.708 4.226 . 0 0 "[ . 1 . 2]" 1
1202 1 69 LYS HE2 1 69 LYS HG3 . . 4.100 3.700 2.900 3.854 . 0 0 "[ . 1 . 2]" 1
1203 1 69 LYS HE3 1 69 LYS HG2 . . 4.110 2.714 2.291 3.624 . 0 0 "[ . 1 . 2]" 1
1204 1 69 LYS HG2 1 70 TYR H . . 4.950 4.600 4.353 5.006 0.056 13 0 "[ . 1 . 2]" 1
1205 1 69 LYS HG2 1 73 LEU MD1 . . 5.000 4.632 4.081 5.040 0.040 17 0 "[ . 1 . 2]" 1
1206 1 69 LYS HG3 1 70 TYR H . . 4.810 4.204 3.933 4.584 . 0 0 "[ . 1 . 2]" 1
1207 1 69 LYS HG3 1 73 LEU MD2 . . 3.680 3.542 3.125 3.796 0.116 18 0 "[ . 1 . 2]" 1
1208 1 70 TYR H 1 70 TYR HB2 . . 3.420 2.436 2.330 2.543 . 0 0 "[ . 1 . 2]" 1
1209 1 70 TYR H 1 70 TYR HB3 . . 3.460 2.506 2.411 2.622 . 0 0 "[ . 1 . 2]" 1
1210 1 70 TYR H 1 70 TYR QD . . 4.390 4.185 4.142 4.277 . 0 0 "[ . 1 . 2]" 1
1211 1 70 TYR HA 1 70 TYR QD . . 2.870 2.463 2.187 2.859 . 0 0 "[ . 1 . 2]" 1
1212 1 70 TYR HA 1 70 TYR QE . . 4.990 4.511 4.373 4.628 . 0 0 "[ . 1 . 2]" 1
1213 1 70 TYR HA 1 73 LEU HB2 . . 3.960 2.736 2.341 3.356 . 0 0 "[ . 1 . 2]" 1
1214 1 70 TYR HA 1 73 LEU MD2 . . 3.530 2.860 2.439 3.633 0.103 17 0 "[ . 1 . 2]" 1
1215 1 70 TYR HB2 1 71 GLU H . . 3.830 3.754 3.628 3.842 0.012 4 0 "[ . 1 . 2]" 1
1216 1 70 TYR HB3 1 71 GLU H . . 3.420 2.400 2.211 2.540 . 0 0 "[ . 1 . 2]" 1
1217 1 70 TYR QD 1 71 GLU H . . 3.790 3.633 3.032 3.858 0.068 7 0 "[ . 1 . 2]" 1
1218 1 70 TYR QD 1 71 GLU HA . . 4.890 3.931 3.007 4.515 . 0 0 "[ . 1 . 2]" 1
1219 1 70 TYR QD 1 71 GLU QG . . 3.760 3.215 2.608 3.821 0.061 17 0 "[ . 1 . 2]" 1
1220 1 70 TYR QD 1 73 LEU MD2 . . 3.960 3.374 2.926 3.987 0.027 17 0 "[ . 1 . 2]" 1
1221 1 71 GLU H 1 71 GLU QB . . 2.890 2.350 2.191 2.543 . 0 0 "[ . 1 . 2]" 1
1222 1 71 GLU H 1 71 GLU QG . . 3.370 2.363 2.134 2.755 . 0 0 "[ . 1 . 2]" 1
1223 1 71 GLU H 1 72 GLY H . . 3.380 2.828 2.693 2.962 . 0 0 "[ . 1 . 2]" 1
1224 1 71 GLU HA 1 71 GLU QG . . 3.390 2.618 2.275 2.893 . 0 0 "[ . 1 . 2]" 1
1225 1 71 GLU QB 1 72 GLY H . . 3.090 2.645 2.250 3.084 . 0 0 "[ . 1 . 2]" 1
1226 1 71 GLU QB 1 72 GLY HA2 . . 4.910 3.963 3.806 4.234 . 0 0 "[ . 1 . 2]" 1
1227 1 71 GLU QB 1 72 GLY HA3 . . 4.820 4.296 4.033 4.632 . 0 0 "[ . 1 . 2]" 1
1228 1 71 GLU QG 1 72 GLY H . . 4.770 4.223 4.019 4.499 . 0 0 "[ . 1 . 2]" 1
1229 1 72 GLY H 1 72 GLY HA3 . . 2.880 2.277 2.222 2.304 . 0 0 "[ . 1 . 2]" 1
1230 1 72 GLY H 1 73 LEU H . . 3.370 2.654 2.484 2.791 . 0 0 "[ . 1 . 2]" 1
1231 1 72 GLY H 1 73 LEU HB2 . . 5.260 4.340 3.984 4.540 . 0 0 "[ . 1 . 2]" 1
1232 1 72 GLY H 1 73 LEU MD1 . . 5.500 5.145 4.713 5.569 0.069 5 0 "[ . 1 . 2]" 1
1233 1 72 GLY H 1 74 MET H . . 4.680 4.628 4.352 4.747 0.067 19 0 "[ . 1 . 2]" 1
1234 1 72 GLY HA2 1 73 LEU HA . . 4.710 4.748 4.678 4.786 0.076 15 0 "[ . 1 . 2]" 1
1235 1 72 GLY HA2 1 74 MET H . . 4.050 3.993 3.794 4.119 0.069 17 0 "[ . 1 . 2]" 1
1236 1 72 GLY HA3 1 73 LEU H . . 3.540 3.095 2.869 3.333 . 0 0 "[ . 1 . 2]" 1
1237 1 72 GLY HA3 1 74 MET H . . 4.970 4.710 4.520 4.916 . 0 0 "[ . 1 . 2]" 1
1238 1 73 LEU H 1 73 LEU HB2 . . 2.890 2.111 2.004 2.254 . 0 0 "[ . 1 . 2]" 1
1239 1 73 LEU H 1 73 LEU HB3 . . 3.800 2.973 2.772 3.258 . 0 0 "[ . 1 . 2]" 1
1240 1 73 LEU H 1 73 LEU MD1 . . 3.990 3.549 3.118 3.792 . 0 0 "[ . 1 . 2]" 1
1241 1 73 LEU H 1 74 MET H . . 3.370 2.768 2.564 2.984 . 0 0 "[ . 1 . 2]" 1
1242 1 73 LEU H 1 76 VAL H . . 5.150 5.190 5.076 5.241 0.091 19 0 "[ . 1 . 2]" 1
1243 1 73 LEU HA 1 73 LEU MD1 . . 2.830 2.028 1.996 2.077 . 0 0 "[ . 1 . 2]" 1
1244 1 73 LEU HA 1 73 LEU HG . . 3.800 2.906 2.727 3.057 . 0 0 "[ . 1 . 2]" 1
1245 1 73 LEU HA 1 75 ALA H . . 5.240 4.130 3.906 4.312 . 0 0 "[ . 1 . 2]" 1
1246 1 73 LEU HA 1 76 VAL H . . 3.520 2.984 2.805 3.125 . 0 0 "[ . 1 . 2]" 1
1247 1 73 LEU HA 1 76 VAL HB . . 3.100 2.605 2.247 3.059 . 0 0 "[ . 1 . 2]" 1
1248 1 73 LEU HA 1 76 VAL MG2 . . 3.250 2.380 2.153 2.628 . 0 0 "[ . 1 . 2]" 1
1249 1 73 LEU HA 1 77 ALA H . . 4.290 3.680 3.389 3.968 . 0 0 "[ . 1 . 2]" 1
1250 1 73 LEU HB2 1 73 LEU MD2 . . 3.540 2.129 2.076 2.216 . 0 0 "[ . 1 . 2]" 1
1251 1 73 LEU HB2 1 74 MET H . . 4.570 3.918 3.714 4.141 . 0 0 "[ . 1 . 2]" 1
1252 1 73 LEU HB3 1 73 LEU MD1 . . 3.380 3.278 3.249 3.300 . 0 0 "[ . 1 . 2]" 1
1253 1 73 LEU HB3 1 73 LEU HG . . 2.850 2.468 2.398 2.531 . 0 0 "[ . 1 . 2]" 1
1254 1 73 LEU HB3 1 76 VAL HB . . 4.640 4.508 4.175 4.715 0.075 5 0 "[ . 1 . 2]" 1
1255 1 73 LEU MD1 1 74 MET H . . 5.500 4.870 4.809 4.956 . 0 0 "[ . 1 . 2]" 1
1256 1 73 LEU MD1 1 75 ALA H . . 5.500 5.543 5.397 5.599 0.099 2 0 "[ . 1 . 2]" 1
1257 1 73 LEU MD1 1 76 VAL H . . 4.650 4.000 3.668 4.223 . 0 0 "[ . 1 . 2]" 1
1258 1 73 LEU MD1 1 76 VAL HB . . 3.100 2.286 2.170 2.446 . 0 0 "[ . 1 . 2]" 1
1259 1 73 LEU MD1 1 77 ALA H . . 4.790 4.062 3.716 4.279 . 0 0 "[ . 1 . 2]" 1
1260 1 73 LEU HG 1 76 VAL HB . . 3.340 2.885 2.482 3.377 0.037 7 0 "[ . 1 . 2]" 1
1261 1 73 LEU HG 1 77 ALA H . . 4.660 3.435 3.123 3.612 . 0 0 "[ . 1 . 2]" 1
1262 1 73 LEU HG 1 77 ALA HA . . 4.170 4.258 4.236 4.266 0.096 5 0 "[ . 1 . 2]" 1
1263 1 73 LEU HG 1 77 ALA MB . . 3.290 3.096 2.761 3.361 0.071 13 0 "[ . 1 . 2]" 1
1264 1 74 MET H 1 74 MET HB2 . . 3.200 2.518 2.417 2.710 . 0 0 "[ . 1 . 2]" 1
1265 1 74 MET H 1 74 MET HB3 . . 3.120 2.590 2.494 2.698 . 0 0 "[ . 1 . 2]" 1
1266 1 74 MET H 1 74 MET HG2 . . 4.560 4.521 4.466 4.593 0.033 15 0 "[ . 1 . 2]" 1
1267 1 74 MET H 1 74 MET HG3 . . 4.450 4.448 4.378 4.504 0.054 15 0 "[ . 1 . 2]" 1
1268 1 74 MET H 1 75 ALA H . . 3.150 2.856 2.753 2.982 . 0 0 "[ . 1 . 2]" 1
1269 1 74 MET H 1 75 ALA MB . . 4.690 4.523 4.334 4.725 0.035 9 0 "[ . 1 . 2]" 1
1270 1 74 MET H 1 76 VAL H . . 4.430 4.196 3.917 4.388 . 0 0 "[ . 1 . 2]" 1
1271 1 74 MET H 1 77 ALA H . . 5.270 4.762 4.661 4.853 . 0 0 "[ . 1 . 2]" 1
1272 1 74 MET HA 1 74 MET ME . . 3.810 3.646 3.239 3.883 0.073 16 0 "[ . 1 . 2]" 1
1273 1 74 MET HA 1 74 MET HG2 . . 3.640 3.250 3.027 3.714 0.074 15 0 "[ . 1 . 2]" 1
1274 1 74 MET HA 1 74 MET HG3 . . 4.170 2.451 2.323 3.011 . 0 0 "[ . 1 . 2]" 1
1275 1 74 MET HA 1 76 VAL H . . 5.370 4.532 4.128 4.841 . 0 0 "[ . 1 . 2]" 1
1276 1 74 MET HA 1 77 ALA H . . 3.980 3.753 3.481 4.039 0.059 16 0 "[ . 1 . 2]" 1
1277 1 74 MET HA 1 77 ALA MB . . 3.800 2.745 2.399 3.191 . 0 0 "[ . 1 . 2]" 1
1278 1 74 MET HA 1 78 LYS H . . 4.590 4.168 3.812 4.521 . 0 0 "[ . 1 . 2]" 1
1279 1 74 MET HB2 1 75 ALA H . . 4.230 3.937 3.747 4.034 . 0 0 "[ . 1 . 2]" 1
1280 1 74 MET HB3 1 75 ALA H . . 3.480 2.650 2.430 2.787 . 0 0 "[ . 1 . 2]" 1
1281 1 74 MET ME 1 74 MET HG2 . . 3.330 3.310 2.216 3.420 0.090 12 0 "[ . 1 . 2]" 1
1282 1 74 MET ME 1 74 MET HG3 . . 3.150 2.430 2.253 3.261 0.111 15 0 "[ . 1 . 2]" 1
1283 1 74 MET HG2 1 75 ALA H . . 5.050 3.788 3.473 4.556 . 0 0 "[ . 1 . 2]" 1
1284 1 74 MET HG2 1 75 ALA HA . . 5.470 3.879 3.553 5.286 . 0 0 "[ . 1 . 2]" 1
1285 1 74 MET HG3 1 75 ALA H . . 4.690 4.568 3.765 4.749 0.059 12 0 "[ . 1 . 2]" 1
1286 1 74 MET HG3 1 75 ALA HA . . 5.060 4.932 3.845 5.121 0.061 20 0 "[ . 1 . 2]" 1
1287 1 74 MET HG3 1 78 LYS H . . 5.500 4.954 4.248 5.539 0.039 8 0 "[ . 1 . 2]" 1
1288 1 74 MET HG3 1 78 LYS QD . . 4.570 3.647 2.736 4.617 0.047 16 0 "[ . 1 . 2]" 1
1289 1 75 ALA H 1 75 ALA MB . . 3.020 2.245 2.188 2.308 . 0 0 "[ . 1 . 2]" 1
1290 1 75 ALA H 1 76 VAL H . . 3.170 2.674 2.490 2.898 . 0 0 "[ . 1 . 2]" 1
1291 1 75 ALA H 1 76 VAL HA . . 5.380 5.298 5.151 5.431 0.051 17 0 "[ . 1 . 2]" 1
1292 1 75 ALA H 1 76 VAL MG2 . . 4.630 3.885 3.660 4.053 . 0 0 "[ . 1 . 2]" 1
1293 1 75 ALA H 1 77 ALA H . . 4.790 4.259 4.125 4.431 . 0 0 "[ . 1 . 2]" 1
1294 1 75 ALA HA 1 78 LYS H . . 3.820 3.637 3.276 3.847 0.027 1 0 "[ . 1 . 2]" 1
1295 1 75 ALA HA 1 78 LYS HB2 . . 3.340 2.862 2.398 3.390 0.050 13 0 "[ . 1 . 2]" 1
1296 1 75 ALA HA 1 78 LYS QD . . 3.890 3.476 3.002 3.974 0.084 13 0 "[ . 1 . 2]" 1
1297 1 75 ALA MB 1 76 VAL H . . 3.250 2.619 2.312 3.033 . 0 0 "[ . 1 . 2]" 1
1298 1 75 ALA MB 1 76 VAL MG2 . . 3.480 3.122 2.701 3.575 0.095 9 0 "[ . 1 . 2]" 1
1299 1 76 VAL H 1 76 VAL HB . . 3.140 2.628 2.540 2.757 . 0 0 "[ . 1 . 2]" 1
1300 1 76 VAL H 1 76 VAL MG2 . . 2.880 2.009 1.821 2.307 . 0 0 "[ . 1 . 2]" 1
1301 1 76 VAL H 1 77 ALA H . . 3.090 2.633 2.437 2.947 . 0 0 "[ . 1 . 2]" 1
1302 1 76 VAL H 1 77 ALA MB . . 4.680 4.197 3.954 4.470 . 0 0 "[ . 1 . 2]" 1
1303 1 76 VAL H 1 78 LYS H . . 4.750 4.194 4.021 4.337 . 0 0 "[ . 1 . 2]" 1
1304 1 76 VAL H 1 79 ALA H . . 5.500 4.742 4.523 4.947 . 0 0 "[ . 1 . 2]" 1
1305 1 76 VAL HA 1 76 VAL MG1 . . 3.040 2.366 2.161 2.462 . 0 0 "[ . 1 . 2]" 1
1306 1 76 VAL HA 1 76 VAL MG2 . . 2.870 2.504 2.399 2.612 . 0 0 "[ . 1 . 2]" 1
1307 1 76 VAL HA 1 79 ALA H . . 3.880 3.460 3.143 3.717 . 0 0 "[ . 1 . 2]" 1
1308 1 76 VAL HA 1 79 ALA MB . . 3.240 2.700 2.445 3.004 . 0 0 "[ . 1 . 2]" 1
1309 1 76 VAL HA 1 80 GLN H . . 4.620 4.113 3.806 4.533 . 0 0 "[ . 1 . 2]" 1
1310 1 76 VAL HB 1 77 ALA H . . 3.120 2.483 2.300 2.700 . 0 0 "[ . 1 . 2]" 1
1311 1 76 VAL MG1 1 77 ALA H . . 3.820 3.578 3.370 3.827 0.007 6 0 "[ . 1 . 2]" 1
1312 1 76 VAL MG1 1 80 GLN H . . 4.810 4.030 3.770 4.587 . 0 0 "[ . 1 . 2]" 1
1313 1 76 VAL MG1 1 80 GLN HE21 . . 3.800 3.184 1.986 3.748 . 0 0 "[ . 1 . 2]" 1
1314 1 76 VAL MG1 1 80 GLN HE22 . . 3.980 3.805 2.930 4.078 0.098 11 0 "[ . 1 . 2]" 1
1315 1 76 VAL MG1 1 80 GLN HG2 . . 4.540 4.084 3.547 4.613 0.073 19 0 "[ . 1 . 2]" 1
1316 1 76 VAL MG1 1 80 GLN HG3 . . 4.480 2.836 2.314 3.375 . 0 0 "[ . 1 . 2]" 1
1317 1 76 VAL MG2 1 77 ALA H . . 4.000 3.682 3.539 3.762 . 0 0 "[ . 1 . 2]" 1
1318 1 77 ALA H 1 77 ALA MB . . 2.930 2.182 2.132 2.229 . 0 0 "[ . 1 . 2]" 1
1319 1 77 ALA H 1 79 ALA H . . 4.820 4.204 3.864 4.458 . 0 0 "[ . 1 . 2]" 1
1320 1 77 ALA H 1 80 GLN H . . 4.980 4.867 4.734 5.045 0.065 18 0 "[ . 1 . 2]" 1
1321 1 77 ALA HA 1 80 GLN H . . 3.820 3.785 3.567 3.896 0.076 11 0 "[ . 1 . 2]" 1
1322 1 77 ALA HA 1 80 GLN HB2 . . 3.680 3.125 2.735 3.534 . 0 0 "[ . 1 . 2]" 1
1323 1 77 ALA HA 1 80 GLN HG3 . . 4.470 3.936 3.092 4.526 0.056 20 0 "[ . 1 . 2]" 1
1324 1 77 ALA HA 1 81 LEU H . . 4.950 4.602 4.061 5.009 0.059 19 0 "[ . 1 . 2]" 1
1325 1 77 ALA MB 1 78 LYS H . . 3.350 2.391 2.249 2.542 . 0 0 "[ . 1 . 2]" 1
1326 1 77 ALA MB 1 78 LYS HA . . 3.830 3.872 3.796 3.923 0.093 9 0 "[ . 1 . 2]" 1
1327 1 78 LYS H 1 78 LYS HB2 . . 2.870 2.326 2.195 2.769 . 0 0 "[ . 1 . 2]" 1
1328 1 78 LYS H 1 78 LYS HB3 . . 3.710 3.550 3.466 3.680 . 0 0 "[ . 1 . 2]" 1
1329 1 78 LYS H 1 78 LYS QD . . 4.570 3.982 3.413 4.268 . 0 0 "[ . 1 . 2]" 1
1330 1 78 LYS H 1 78 LYS HG2 . . 3.660 3.699 2.918 3.927 0.267 9 0 "[ . 1 . 2]" 1
1331 1 78 LYS H 1 78 LYS HG3 . . 3.890 2.656 2.309 3.044 . 0 0 "[ . 1 . 2]" 1
1332 1 78 LYS H 1 79 ALA H . . 3.190 2.735 2.535 2.920 . 0 0 "[ . 1 . 2]" 1
1333 1 78 LYS H 1 80 GLN H . . 4.270 4.306 4.192 4.338 0.068 18 0 "[ . 1 . 2]" 1
1334 1 78 LYS HA 1 78 LYS QD . . 4.730 4.150 3.903 4.282 . 0 0 "[ . 1 . 2]" 1
1335 1 78 LYS HA 1 78 LYS HG2 . . 3.920 2.428 2.293 2.732 . 0 0 "[ . 1 . 2]" 1
1336 1 78 LYS HA 1 78 LYS HG3 . . 3.260 3.020 2.755 3.544 0.284 13 0 "[ . 1 . 2]" 1
1337 1 78 LYS HA 1 81 LEU H . . 3.880 3.276 3.011 3.644 . 0 0 "[ . 1 . 2]" 1
1338 1 78 LYS HA 1 81 LEU QB . . 3.130 2.862 2.416 3.133 0.003 13 0 "[ . 1 . 2]" 1
1339 1 78 LYS HA 1 81 LEU QD . . 3.610 2.163 1.973 2.521 . 0 0 "[ . 1 . 2]" 1
1340 1 78 LYS HA 1 81 LEU HG . . 4.590 3.541 2.759 4.137 . 0 0 "[ . 1 . 2]" 1
1341 1 78 LYS HA 1 82 MET H . . 4.300 4.228 3.873 4.381 0.081 4 0 "[ . 1 . 2]" 1
1342 1 78 LYS HB2 1 79 ALA H . . 3.370 2.853 2.456 3.452 0.082 18 0 "[ . 1 . 2]" 1
1343 1 78 LYS QE 1 82 MET HG2 . . 4.620 4.916 4.373 5.546 0.926 18 7 "[ . -*** * + *]" 1
1344 1 78 LYS HG3 1 79 ALA H . . 5.500 4.714 4.120 5.031 . 0 0 "[ . 1 . 2]" 1
1345 1 79 ALA H 1 79 ALA MB . . 2.670 2.252 2.205 2.345 . 0 0 "[ . 1 . 2]" 1
1346 1 79 ALA H 1 80 GLN H . . 3.130 2.739 2.366 2.894 . 0 0 "[ . 1 . 2]" 1
1347 1 79 ALA H 1 80 GLN HG3 . . 5.400 4.769 4.251 5.315 . 0 0 "[ . 1 . 2]" 1
1348 1 79 ALA H 1 81 LEU H . . 4.810 4.200 4.018 4.443 . 0 0 "[ . 1 . 2]" 1
1349 1 79 ALA MB 1 80 GLN H . . 3.380 2.449 2.207 2.965 . 0 0 "[ . 1 . 2]" 1
1350 1 80 GLN H 1 80 GLN HB2 . . 3.090 2.466 2.333 2.737 . 0 0 "[ . 1 . 2]" 1
1351 1 80 GLN H 1 80 GLN HB3 . . 3.590 3.601 3.561 3.637 0.047 16 0 "[ . 1 . 2]" 1
1352 1 80 GLN H 1 80 GLN HE21 . . 5.500 5.090 4.690 5.549 0.049 20 0 "[ . 1 . 2]" 1
1353 1 80 GLN H 1 80 GLN HG2 . . 3.750 3.415 2.839 3.793 0.043 10 0 "[ . 1 . 2]" 1
1354 1 80 GLN H 1 80 GLN HG3 . . 3.250 2.470 2.212 2.786 . 0 0 "[ . 1 . 2]" 1
1355 1 80 GLN H 1 81 LEU H . . 3.200 2.882 2.636 3.028 . 0 0 "[ . 1 . 2]" 1
1356 1 80 GLN H 1 82 MET H . . 4.800 4.417 4.234 4.735 . 0 0 "[ . 1 . 2]" 1
1357 1 80 GLN HA 1 80 GLN HE21 . . 5.080 4.870 4.397 5.149 0.069 2 0 "[ . 1 . 2]" 1
1358 1 80 GLN HA 1 80 GLN HG2 . . 2.970 2.350 2.239 2.458 . 0 0 "[ . 1 . 2]" 1
1359 1 80 GLN HA 1 80 GLN HG3 . . 3.710 3.110 2.867 3.374 . 0 0 "[ . 1 . 2]" 1
1360 1 80 GLN HA 1 83 ASP HB3 . . 4.090 2.380 2.041 2.883 . 0 0 "[ . 1 . 2]" 1
1361 1 80 GLN HB2 1 81 LEU H . . 3.370 2.958 2.593 3.297 . 0 0 "[ . 1 . 2]" 1
1362 1 80 GLN HB3 1 81 LEU H . . 3.730 3.730 3.494 3.803 0.073 3 0 "[ . 1 . 2]" 1
1363 1 80 GLN HE21 1 80 GLN HG2 . . 3.600 2.600 2.220 3.042 . 0 0 "[ . 1 . 2]" 1
1364 1 80 GLN HE21 1 80 GLN HG3 . . 3.670 2.699 2.348 3.125 . 0 0 "[ . 1 . 2]" 1
1365 1 80 GLN HG3 1 81 LEU H . . 4.940 4.713 4.325 4.995 0.055 17 0 "[ . 1 . 2]" 1
1366 1 81 LEU H 1 81 LEU QB . . 2.710 2.220 1.946 2.370 . 0 0 "[ . 1 . 2]" 1
1367 1 81 LEU H 1 81 LEU QD . . 4.070 3.264 2.991 3.448 . 0 0 "[ . 1 . 2]" 1
1368 1 81 LEU H 1 81 LEU HG . . 3.310 2.878 2.447 3.386 0.076 18 0 "[ . 1 . 2]" 1
1369 1 81 LEU H 1 82 MET H . . 3.080 2.572 2.355 2.883 . 0 0 "[ . 1 . 2]" 1
1370 1 81 LEU H 1 82 MET HG2 . . 5.500 4.614 4.058 5.939 0.439 12 0 "[ . 1 . 2]" 1
1371 1 81 LEU H 1 84 GLU H . . 4.510 4.584 4.529 4.602 0.092 18 0 "[ . 1 . 2]" 1
1372 1 81 LEU HA 1 81 LEU QD . . 3.100 2.601 2.085 3.098 . 0 0 "[ . 1 . 2]" 1
1373 1 81 LEU HA 1 81 LEU HG . . 3.640 3.170 2.629 3.722 0.082 2 0 "[ . 1 . 2]" 1
1374 1 81 LEU HA 1 84 GLU H . . 3.910 3.340 2.917 3.611 . 0 0 "[ . 1 . 2]" 1
1375 1 81 LEU HA 1 84 GLU QB . . 3.520 2.762 2.212 3.180 . 0 0 "[ . 1 . 2]" 1
1376 1 81 LEU HA 1 84 GLU HG2 . . 4.790 3.843 1.995 5.731 0.941 17 2 "[ . 1 - + 2]" 1
1377 1 81 LEU HA 1 85 LEU H . . 5.280 4.966 3.969 5.358 0.078 19 0 "[ . 1 . 2]" 1
1378 1 81 LEU QB 1 82 MET H . . 4.140 2.971 2.273 3.451 . 0 0 "[ . 1 . 2]" 1
1379 1 81 LEU QD 1 82 MET H . . 5.220 3.815 3.191 4.315 . 0 0 "[ . 1 . 2]" 1
1380 1 81 LEU QD 1 82 MET ME . . 4.260 3.638 2.020 4.280 0.020 15 0 "[ . 1 . 2]" 1
1381 1 81 LEU QD 1 84 GLU H . . 5.350 4.899 4.443 5.170 . 0 0 "[ . 1 . 2]" 1
1382 1 81 LEU QD 1 84 GLU QB . . 5.160 4.129 3.315 4.778 . 0 0 "[ . 1 . 2]" 1
1383 1 82 MET H 1 82 MET QB . . 2.860 2.429 2.238 2.860 . 0 0 "[ . 1 . 2]" 1
1384 1 82 MET H 1 82 MET HG2 . . 3.460 2.571 1.859 3.539 0.079 20 0 "[ . 1 . 2]" 1
1385 1 82 MET H 1 82 MET HG3 . . 3.490 3.229 2.279 3.566 0.076 5 0 "[ . 1 . 2]" 1
1386 1 82 MET HA 1 82 MET HG3 . . 4.050 3.642 2.977 3.940 . 0 0 "[ . 1 . 2]" 1
1387 1 82 MET QB 1 82 MET HG2 . . 2.400 2.428 2.272 2.552 0.152 18 0 "[ . 1 . 2]" 1
1388 1 82 MET QB 1 82 MET HG3 . . 2.480 2.207 2.118 2.406 . 0 0 "[ . 1 . 2]" 1
1389 1 82 MET QB 1 83 ASP HB2 . . 4.640 3.943 3.308 4.733 0.093 16 0 "[ . 1 . 2]" 1
1390 1 82 MET ME 1 82 MET HG2 . . 4.020 2.552 2.229 3.417 . 0 0 "[ . 1 . 2]" 1
1391 1 83 ASP H 1 83 ASP HB2 . . 3.090 2.450 2.146 2.987 . 0 0 "[ . 1 . 2]" 1
1392 1 83 ASP H 1 83 ASP HB3 . . 3.010 2.446 2.131 2.967 . 0 0 "[ . 1 . 2]" 1
1393 1 83 ASP H 1 84 GLU H . . 3.090 2.529 1.713 2.882 . 0 0 "[ . 1 . 2]" 1
1394 1 83 ASP H 1 84 GLU QB . . 5.410 4.487 3.639 4.835 . 0 0 "[ . 1 . 2]" 1
1395 1 83 ASP H 1 84 GLU HG2 . . 5.500 5.014 3.595 6.495 0.995 17 2 "[ . 1 - + 2]" 1
1396 1 83 ASP HA 1 83 ASP HB2 . . 2.950 2.504 2.367 2.735 . 0 0 "[ . 1 . 2]" 1
1397 1 83 ASP HA 1 85 LEU H . . 4.790 3.807 3.356 4.160 . 0 0 "[ . 1 . 2]" 1
1398 1 83 ASP HB3 1 84 GLU H . . 3.990 2.830 2.398 3.436 . 0 0 "[ . 1 . 2]" 1
1399 1 84 GLU H 1 84 GLU QB . . 3.090 2.333 2.192 2.496 . 0 0 "[ . 1 . 2]" 1
1400 1 84 GLU H 1 84 GLU HG2 . . 3.450 2.952 2.350 4.041 0.591 17 1 "[ . 1 . + 2]" 1
1401 1 84 GLU H 1 84 GLU HG3 . . 4.030 3.178 2.643 3.907 . 0 0 "[ . 1 . 2]" 1
1402 1 84 GLU HA 1 84 GLU HG2 . . 3.500 3.060 2.291 4.145 0.645 8 3 "[ . + - * . 2]" 1
1403 1 84 GLU HA 1 85 LEU H . . 3.360 3.324 2.905 3.426 0.066 4 0 "[ . 1 . 2]" 1
1404 1 84 GLU QB 1 85 LEU H . . 4.140 3.511 3.038 3.771 . 0 0 "[ . 1 . 2]" 1
1405 1 84 GLU HG2 1 85 LEU H . . 5.370 4.418 2.579 5.441 0.071 17 0 "[ . 1 . 2]" 1
1406 1 85 LEU H 1 85 LEU HB2 . . 3.030 2.649 2.151 3.635 0.605 20 1 "[ . 1 . +]" 1
1407 1 85 LEU H 1 85 LEU HB3 . . 3.550 3.113 2.406 3.620 0.070 2 0 "[ . 1 . 2]" 1
1408 1 85 LEU H 1 85 LEU MD1 . . 4.870 4.219 3.341 4.776 . 0 0 "[ . 1 . 2]" 1
1409 1 85 LEU HA 1 85 LEU MD2 . . 3.110 2.911 2.065 3.927 0.817 17 6 "[* *. 1* * .-+ 2]" 1
1410 1 85 LEU HB3 1 85 LEU MD2 . . 3.550 2.483 2.183 3.260 . 0 0 "[ . 1 . 2]" 1
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