NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617039 |
5h7u   |
36034 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5h7u
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 787
_Distance_constraint_stats_list.Viol_count 1653
_Distance_constraint_stats_list.Viol_total 947.776
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 GLU 0.982 0.112 8 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.195 0.057 3 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.031 0.031 19 0 "[ . 1 . 2]"
1 33 LYS 0.290 0.069 2 0 "[ . 1 . 2]"
1 34 PRO 0.174 0.069 2 0 "[ . 1 . 2]"
1 35 TYR 0.058 0.025 7 0 "[ . 1 . 2]"
1 36 GLY 0.186 0.064 12 0 "[ . 1 . 2]"
1 37 PRO 0.400 0.064 12 0 "[ . 1 . 2]"
1 38 ASP 0.231 0.058 8 0 "[ . 1 . 2]"
1 39 TRP 1.033 0.134 12 0 "[ . 1 . 2]"
1 40 PHE 0.243 0.060 16 0 "[ . 1 . 2]"
1 41 LYS 0.009 0.009 16 0 "[ . 1 . 2]"
1 47 LYS 0.002 0.002 6 0 "[ . 1 . 2]"
1 55 PHE 0.113 0.045 3 0 "[ . 1 . 2]"
1 56 LEU 0.286 0.084 13 0 "[ . 1 . 2]"
1 57 LYS 0.263 0.084 13 0 "[ . 1 . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.450 0.141 20 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.280 0.069 16 0 "[ . 1 . 2]"
1 71 GLU 0.278 0.069 16 0 "[ . 1 . 2]"
1 72 ASP 0.299 0.059 1 0 "[ . 1 . 2]"
1 73 GLY 0.228 0.054 13 0 "[ . 1 . 2]"
1 74 LYS 0.612 0.075 17 0 "[ . 1 . 2]"
1 75 LYS 0.477 0.092 18 0 "[ . 1 . 2]"
1 76 VAL 0.203 0.092 18 0 "[ . 1 . 2]"
1 77 VAL 0.183 0.061 4 0 "[ . 1 . 2]"
1 78 LYS 1.080 0.124 14 0 "[ . 1 . 2]"
1 79 SER 1.096 0.124 14 0 "[ . 1 . 2]"
1 80 ALA 1.192 0.059 4 0 "[ . 1 . 2]"
1 81 LYS 0.650 0.073 12 0 "[ . 1 . 2]"
1 82 GLU 0.930 0.079 13 0 "[ . 1 . 2]"
1 83 LYS 0.548 0.082 19 0 "[ . 1 . 2]"
1 84 LEU 0.894 0.075 2 0 "[ . 1 . 2]"
1 85 LEU 2.015 0.191 7 0 "[ . 1 . 2]"
1 86 ASP 0.053 0.025 13 0 "[ . 1 . 2]"
1 87 GLU 0.223 0.061 4 0 "[ . 1 . 2]"
1 88 MET 1.734 0.076 11 0 "[ . 1 . 2]"
1 89 GLN 2.479 0.080 12 0 "[ . 1 . 2]"
1 90 ASP 2.166 0.080 12 0 "[ . 1 . 2]"
1 91 VAL 3.068 0.076 18 0 "[ . 1 . 2]"
1 92 TYR 2.252 0.074 5 0 "[ . 1 . 2]"
1 93 ASN 1.956 0.076 18 0 "[ . 1 . 2]"
1 94 LYS 5.129 0.177 19 0 "[ . 1 . 2]"
1 95 ILE 2.001 0.073 1 0 "[ . 1 . 2]"
1 96 SER 0.114 0.043 5 0 "[ . 1 . 2]"
1 97 GLN 0.532 0.061 18 0 "[ . 1 . 2]"
1 98 ALA 1.268 0.123 11 0 "[ . 1 . 2]"
1 99 GLU 1.927 0.123 11 0 "[ . 1 . 2]"
1 100 ASN 1.084 0.084 9 0 "[ . 1 . 2]"
1 102 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASP 0.075 0.042 1 0 "[ . 1 . 2]"
1 104 TRP 1.484 0.070 14 0 "[ . 1 . 2]"
1 105 LEU 0.657 0.059 1 0 "[ . 1 . 2]"
1 106 THR 0.369 0.041 10 0 "[ . 1 . 2]"
1 107 ILE 3.172 0.073 1 0 "[ . 1 . 2]"
1 108 SER 0.202 0.024 13 0 "[ . 1 . 2]"
1 109 ASN 1.422 0.061 18 0 "[ . 1 . 2]"
1 110 GLU 0.892 0.058 9 0 "[ . 1 . 2]"
1 111 PHE 4.516 0.076 13 0 "[ . 1 . 2]"
1 112 ASP 2.891 0.076 13 0 "[ . 1 . 2]"
1 113 LEU 2.416 0.060 2 0 "[ . 1 . 2]"
1 114 ILE 3.793 0.091 19 0 "[ . 1 . 2]"
1 115 SER 3.455 0.091 19 0 "[ . 1 . 2]"
1 116 ARG 0.365 0.041 12 0 "[ . 1 . 2]"
1 117 LEU 0.322 0.027 15 0 "[ . 1 . 2]"
1 118 LEU 3.780 0.060 11 0 "[ . 1 . 2]"
1 119 VAL 1.658 0.148 10 0 "[ . 1 . 2]"
1 120 ARG 2.126 0.148 10 0 "[ . 1 . 2]"
1 121 ALA 3.730 0.081 20 0 "[ . 1 . 2]"
1 122 GLN 1.997 0.081 20 0 "[ . 1 . 2]"
1 123 GLN 0.273 0.064 13 0 "[ . 1 . 2]"
1 124 GLN 0.746 0.106 15 0 "[ . 1 . 2]"
1 125 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 TRP 1.448 0.099 10 0 "[ . 1 . 2]"
1 127 GLY 1.014 0.099 10 0 "[ . 1 . 2]"
1 128 THR 0.080 0.034 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLU H 1 4 GLU HB2 . . 3.840 3.487 2.794 3.939 0.099 17 0 "[ . 1 . 2]" 1
2 1 4 GLU H 1 4 GLU HB3 . . 3.840 3.515 2.730 3.872 0.032 11 0 "[ . 1 . 2]" 1
3 1 4 GLU H 1 4 GLU QG . . 3.790 2.965 2.454 3.902 0.112 8 0 "[ . 1 . 2]" 1
4 1 5 LEU HA 1 5 LEU QD . . 3.950 2.634 2.143 3.439 . 0 0 "[ . 1 . 2]" 1
5 1 13 PHE QB 1 14 PHE H . . 4.230 2.984 2.165 4.061 . 0 0 "[ . 1 . 2]" 1
6 1 14 PHE H 1 14 PHE QB . . 3.660 2.834 2.194 3.327 . 0 0 "[ . 1 . 2]" 1
7 1 23 ALA H 1 23 ALA MB . . 3.250 2.583 2.203 2.782 . 0 0 "[ . 1 . 2]" 1
8 1 23 ALA HA 1 24 ASP H . . 3.340 2.427 2.227 3.281 . 0 0 "[ . 1 . 2]" 1
9 1 25 VAL H 1 25 VAL HB . . 3.870 3.441 2.689 3.927 0.057 3 0 "[ . 1 . 2]" 1
10 1 25 VAL H 1 26 ASP H . . 4.730 4.305 4.051 4.623 . 0 0 "[ . 1 . 2]" 1
11 1 25 VAL HB 1 26 ASP H . . 4.430 3.687 2.534 4.383 . 0 0 "[ . 1 . 2]" 1
12 1 26 ASP H 1 26 ASP QB . . 3.590 2.837 2.243 3.268 . 0 0 "[ . 1 . 2]" 1
13 1 32 ALA H 1 32 ALA MB . . 3.340 2.733 2.210 2.919 . 0 0 "[ . 1 . 2]" 1
14 1 32 ALA HA 1 33 LYS H . . 3.340 2.514 2.248 3.371 0.031 19 0 "[ . 1 . 2]" 1
15 1 32 ALA MB 1 33 LYS H . . 4.000 2.729 2.204 3.757 . 0 0 "[ . 1 . 2]" 1
16 1 33 LYS H 1 33 LYS QB . . 3.080 2.576 2.154 3.143 0.063 14 0 "[ . 1 . 2]" 1
17 1 33 LYS H 1 33 LYS QG . . 4.480 3.117 2.020 4.223 . 0 0 "[ . 1 . 2]" 1
18 1 33 LYS HA 1 34 PRO HD2 . . 4.100 2.528 2.201 4.169 0.069 2 0 "[ . 1 . 2]" 1
19 1 33 LYS HA 1 34 PRO HD3 . . 4.100 2.399 2.024 3.902 . 0 0 "[ . 1 . 2]" 1
20 1 33 LYS QB 1 34 PRO HD2 . . 4.390 3.209 2.266 4.373 . 0 0 "[ . 1 . 2]" 1
21 1 33 LYS QB 1 34 PRO HD3 . . 4.390 3.867 2.218 4.406 0.016 15 0 "[ . 1 . 2]" 1
22 1 33 LYS QD 1 34 PRO QD . . 5.050 4.247 2.564 5.055 0.005 18 0 "[ . 1 . 2]" 1
23 1 34 PRO HA 1 34 PRO QG . . 3.580 3.398 2.817 3.542 . 0 0 "[ . 1 . 2]" 1
24 1 34 PRO QB 1 35 TYR H . . 3.800 3.464 2.902 3.755 . 0 0 "[ . 1 . 2]" 1
25 1 34 PRO QB 1 35 TYR QD . . 4.300 2.808 2.226 3.589 . 0 0 "[ . 1 . 2]" 1
26 1 34 PRO QB 1 35 TYR QE . . 3.570 3.375 3.106 3.595 0.025 7 0 "[ . 1 . 2]" 1
27 1 34 PRO QD 1 35 TYR H . . 3.570 2.711 2.327 3.549 . 0 0 "[ . 1 . 2]" 1
28 1 34 PRO QG 1 35 TYR H . . 4.690 2.937 2.222 4.653 . 0 0 "[ . 1 . 2]" 1
29 1 34 PRO QG 1 35 TYR QE . . 4.220 3.383 2.834 3.852 . 0 0 "[ . 1 . 2]" 1
30 1 35 TYR H 1 35 TYR QD . . 3.810 3.393 2.478 3.683 . 0 0 "[ . 1 . 2]" 1
31 1 35 TYR H 1 36 GLY H . . 4.480 3.985 1.794 4.435 . 0 0 "[ . 1 . 2]" 1
32 1 35 TYR HA 1 35 TYR QD . . 4.490 3.271 2.571 3.785 . 0 0 "[ . 1 . 2]" 1
33 1 36 GLY H 1 37 PRO QD . . 4.340 3.925 2.343 4.404 0.064 12 0 "[ . 1 . 2]" 1
34 1 36 GLY QA 1 37 PRO QD . . 3.910 2.075 1.979 2.482 . 0 0 "[ . 1 . 2]" 1
35 1 37 PRO HA 1 37 PRO HG2 . . 4.100 3.871 3.811 3.964 . 0 0 "[ . 1 . 2]" 1
36 1 37 PRO HA 1 37 PRO HG3 . . 4.100 3.752 2.901 4.121 0.021 8 0 "[ . 1 . 2]" 1
37 1 37 PRO QB 1 38 ASP H . . 3.450 2.869 2.337 3.405 . 0 0 "[ . 1 . 2]" 1
38 1 37 PRO HB2 1 38 ASP H . . 4.190 3.115 2.374 3.841 . 0 0 "[ . 1 . 2]" 1
39 1 37 PRO HB3 1 38 ASP H . . 4.190 3.626 3.075 4.244 0.054 9 0 "[ . 1 . 2]" 1
40 1 37 PRO QD 1 38 ASP H . . 5.120 4.603 2.583 4.985 . 0 0 "[ . 1 . 2]" 1
41 1 38 ASP H 1 39 TRP H . . 4.440 3.430 1.848 4.498 0.058 8 0 "[ . 1 . 2]" 1
42 1 38 ASP QB 1 39 TRP H . . 3.580 3.211 2.421 3.604 0.024 17 0 "[ . 1 . 2]" 1
43 1 39 TRP H 1 39 TRP HD1 . . 4.310 3.478 2.119 4.444 0.134 12 0 "[ . 1 . 2]" 1
44 1 39 TRP H 1 40 PHE H . . 4.970 4.300 2.125 4.676 . 0 0 "[ . 1 . 2]" 1
45 1 39 TRP HA 1 39 TRP HD1 . . 4.170 3.074 2.246 4.217 0.047 20 0 "[ . 1 . 2]" 1
46 1 39 TRP HA 1 39 TRP HE3 . . 5.500 4.939 4.014 5.311 . 0 0 "[ . 1 . 2]" 1
47 1 39 TRP QB 1 40 PHE H . . 3.810 2.766 2.127 3.649 . 0 0 "[ . 1 . 2]" 1
48 1 39 TRP HB2 1 39 TRP HE3 . . 3.710 2.892 2.399 3.792 0.082 6 0 "[ . 1 . 2]" 1
49 1 39 TRP HB3 1 39 TRP HE3 . . 3.710 3.265 2.359 3.791 0.081 13 0 "[ . 1 . 2]" 1
50 1 40 PHE H 1 40 PHE QB . . 3.500 2.756 2.146 3.351 . 0 0 "[ . 1 . 2]" 1
51 1 40 PHE H 1 40 PHE QD . . 4.000 3.165 2.210 4.060 0.060 16 0 "[ . 1 . 2]" 1
52 1 40 PHE H 1 41 LYS H . . 5.460 4.165 2.491 4.656 . 0 0 "[ . 1 . 2]" 1
53 1 40 PHE HA 1 40 PHE QD . . 3.920 3.093 2.427 3.787 . 0 0 "[ . 1 . 2]" 1
54 1 40 PHE QB 1 41 LYS H . . 4.020 2.914 2.259 3.823 . 0 0 "[ . 1 . 2]" 1
55 1 41 LYS H 1 41 LYS QG . . 3.390 2.691 2.036 3.294 . 0 0 "[ . 1 . 2]" 1
56 1 41 LYS HA 1 41 LYS QG . . 3.470 2.966 2.381 3.479 0.009 16 0 "[ . 1 . 2]" 1
57 1 47 LYS H 1 47 LYS HG2 . . 3.980 2.909 1.977 3.705 . 0 0 "[ . 1 . 2]" 1
58 1 47 LYS H 1 47 LYS QG . . 3.250 2.444 1.950 2.746 . 0 0 "[ . 1 . 2]" 1
59 1 47 LYS H 1 47 LYS HG3 . . 3.980 3.063 2.194 3.982 0.002 6 0 "[ . 1 . 2]" 1
60 1 47 LYS HA 1 47 LYS QG . . 3.700 2.959 2.270 3.402 . 0 0 "[ . 1 . 2]" 1
61 1 55 PHE H 1 55 PHE HB2 . . 3.960 3.111 2.451 3.977 0.017 14 0 "[ . 1 . 2]" 1
62 1 55 PHE H 1 55 PHE QB . . 3.360 2.777 2.412 3.405 0.045 3 0 "[ . 1 . 2]" 1
63 1 55 PHE H 1 55 PHE HB3 . . 3.960 3.510 2.615 3.983 0.023 3 0 "[ . 1 . 2]" 1
64 1 55 PHE H 1 55 PHE QD . . 5.500 3.265 2.209 4.524 . 0 0 "[ . 1 . 2]" 1
65 1 55 PHE H 1 56 LEU H . . 4.970 4.267 1.878 4.669 . 0 0 "[ . 1 . 2]" 1
66 1 55 PHE QB 1 56 LEU H . . 3.710 2.850 2.086 3.733 0.023 9 0 "[ . 1 . 2]" 1
67 1 56 LEU H 1 56 LEU QD . . 4.390 3.639 2.057 4.143 . 0 0 "[ . 1 . 2]" 1
68 1 56 LEU H 1 57 LYS H . . 3.440 2.871 1.962 3.524 0.084 13 0 "[ . 1 . 2]" 1
69 1 56 LEU HA 1 56 LEU QD . . 3.950 2.315 2.111 3.418 . 0 0 "[ . 1 . 2]" 1
70 1 56 LEU HA 1 56 LEU HG . . 3.970 3.163 2.445 3.802 . 0 0 "[ . 1 . 2]" 1
71 1 62 ASP H 1 62 ASP QB . . 3.420 2.661 2.201 3.329 . 0 0 "[ . 1 . 2]" 1
72 1 66 GLU H 1 66 GLU HB2 . . 3.510 2.944 2.348 3.651 0.141 20 0 "[ . 1 . 2]" 1
73 1 66 GLU H 1 66 GLU QB . . 3.030 2.584 2.172 2.883 . 0 0 "[ . 1 . 2]" 1
74 1 66 GLU H 1 66 GLU HB3 . . 3.510 3.106 2.477 3.577 0.067 12 0 "[ . 1 . 2]" 1
75 1 66 GLU HA 1 67 GLU H . . 3.460 2.527 2.153 3.427 . 0 0 "[ . 1 . 2]" 1
76 1 70 GLU H 1 70 GLU QG . . 3.680 2.750 2.164 3.682 0.002 11 0 "[ . 1 . 2]" 1
77 1 70 GLU HA 1 71 GLU H . . 3.320 2.601 2.055 3.383 0.063 20 0 "[ . 1 . 2]" 1
78 1 70 GLU QB 1 71 GLU H . . 4.210 2.892 1.895 4.045 . 0 0 "[ . 1 . 2]" 1
79 1 70 GLU QG 1 71 GLU H . . 4.110 3.832 3.135 4.179 0.069 16 0 "[ . 1 . 2]" 1
80 1 71 GLU H 1 71 GLU QB . . 3.190 2.612 2.241 3.125 . 0 0 "[ . 1 . 2]" 1
81 1 72 ASP H 1 72 ASP QB . . 3.680 2.678 2.228 3.498 . 0 0 "[ . 1 . 2]" 1
82 1 72 ASP HA 1 105 LEU H . . 4.090 3.620 3.017 4.140 0.050 5 0 "[ . 1 . 2]" 1
83 1 72 ASP HA 1 105 LEU HB2 . . 4.330 2.460 2.039 3.041 . 0 0 "[ . 1 . 2]" 1
84 1 72 ASP HA 1 105 LEU HB3 . . 4.320 3.943 2.896 4.338 0.018 13 0 "[ . 1 . 2]" 1
85 1 72 ASP HA 1 105 LEU QD . . 4.380 3.122 2.208 3.854 . 0 0 "[ . 1 . 2]" 1
86 1 72 ASP QB 1 105 LEU HB2 . . 3.350 2.734 2.259 3.409 0.059 1 0 "[ . 1 . 2]" 1
87 1 72 ASP QB 1 105 LEU HB3 . . 3.830 3.541 2.868 3.857 0.027 19 0 "[ . 1 . 2]" 1
88 1 73 GLY H 1 74 LYS H . . 4.490 4.027 2.173 4.544 0.054 13 0 "[ . 1 . 2]" 1
89 1 73 GLY QA 1 74 LYS H . . 3.090 2.297 2.071 2.861 . 0 0 "[ . 1 . 2]" 1
90 1 74 LYS H 1 75 LYS HA . . 5.310 4.832 4.044 5.369 0.059 13 0 "[ . 1 . 2]" 1
91 1 74 LYS H 1 75 LYS QB . . 5.500 4.729 3.664 5.575 0.075 17 0 "[ . 1 . 2]" 1
92 1 74 LYS H 1 75 LYS QG . . 4.600 4.024 2.876 4.611 0.011 6 0 "[ . 1 . 2]" 1
93 1 75 LYS H 1 75 LYS QG . . 4.180 2.783 2.244 3.477 . 0 0 "[ . 1 . 2]" 1
94 1 75 LYS QB 1 76 VAL H . . 3.590 2.901 2.040 3.682 0.092 18 0 "[ . 1 . 2]" 1
95 1 76 VAL H 1 76 VAL HB . . 4.140 3.359 2.480 3.975 . 0 0 "[ . 1 . 2]" 1
96 1 76 VAL H 1 76 VAL QG . . 3.920 2.612 1.986 3.068 . 0 0 "[ . 1 . 2]" 1
97 1 76 VAL H 1 77 VAL H . . 4.750 4.210 2.304 4.652 . 0 0 "[ . 1 . 2]" 1
98 1 76 VAL HA 1 77 VAL H . . 3.500 2.232 2.073 3.179 . 0 0 "[ . 1 . 2]" 1
99 1 76 VAL HB 1 77 VAL H . . 4.380 3.653 2.442 4.441 0.061 4 0 "[ . 1 . 2]" 1
100 1 76 VAL QG 1 77 VAL H . . 4.310 2.859 2.293 3.499 . 0 0 "[ . 1 . 2]" 1
101 1 77 VAL HB 1 78 LYS H . . 4.180 3.571 1.983 4.237 0.057 17 0 "[ . 1 . 2]" 1
102 1 77 VAL QG 1 78 LYS H . . 3.570 2.580 1.982 3.329 . 0 0 "[ . 1 . 2]" 1
103 1 78 LYS H 1 78 LYS HB2 . . 4.090 2.901 2.432 3.650 . 0 0 "[ . 1 . 2]" 1
104 1 78 LYS H 1 78 LYS QB . . 3.290 2.619 2.207 3.332 0.042 19 0 "[ . 1 . 2]" 1
105 1 78 LYS H 1 78 LYS HB3 . . 4.090 3.314 2.381 4.061 . 0 0 "[ . 1 . 2]" 1
106 1 78 LYS H 1 78 LYS QE . . 4.750 4.390 3.510 4.836 0.086 5 0 "[ . 1 . 2]" 1
107 1 78 LYS H 1 78 LYS HG2 . . 4.790 3.849 2.032 4.826 0.036 8 0 "[ . 1 . 2]" 1
108 1 78 LYS H 1 78 LYS QG . . 3.950 3.174 1.986 4.025 0.075 9 0 "[ . 1 . 2]" 1
109 1 78 LYS H 1 78 LYS HG3 . . 4.790 3.588 2.076 4.688 . 0 0 "[ . 1 . 2]" 1
110 1 78 LYS H 1 79 SER H . . 4.160 3.833 2.843 4.284 0.124 14 0 "[ . 1 . 2]" 1
111 1 78 LYS HA 1 78 LYS QD . . 4.530 4.020 2.384 4.534 0.004 10 0 "[ . 1 . 2]" 1
112 1 78 LYS HA 1 78 LYS HG2 . . 3.810 2.915 2.440 3.783 . 0 0 "[ . 1 . 2]" 1
113 1 78 LYS HA 1 78 LYS HG3 . . 3.810 2.914 2.387 3.845 0.035 6 0 "[ . 1 . 2]" 1
114 1 78 LYS HA 1 79 SER H . . 3.460 2.249 2.044 2.612 . 0 0 "[ . 1 . 2]" 1
115 1 78 LYS QB 1 78 LYS QE . . 2.680 2.081 1.993 2.330 . 0 0 "[ . 1 . 2]" 1
116 1 78 LYS QE 1 78 LYS QG . . 3.490 2.482 2.347 2.936 . 0 0 "[ . 1 . 2]" 1
117 1 79 SER H 1 82 GLU H . . 4.090 3.244 2.667 3.650 . 0 0 "[ . 1 . 2]" 1
118 1 79 SER H 1 82 GLU QB . . 3.550 3.306 2.775 3.573 0.023 7 0 "[ . 1 . 2]" 1
119 1 79 SER HG 1 80 ALA H . . 4.110 3.204 2.537 3.639 . 0 0 "[ . 1 . 2]" 1
120 1 79 SER HG 1 80 ALA MB . . 4.170 4.186 4.039 4.228 0.058 11 0 "[ . 1 . 2]" 1
121 1 79 SER HG 1 81 LYS H . . 3.480 3.199 2.693 3.530 0.050 19 0 "[ . 1 . 2]" 1
122 1 80 ALA H 1 80 ALA MB . . 3.340 2.175 2.100 2.241 . 0 0 "[ . 1 . 2]" 1
123 1 80 ALA H 1 81 LYS H . . 3.640 2.815 2.546 2.970 . 0 0 "[ . 1 . 2]" 1
124 1 80 ALA HA 1 121 ALA MB . . 4.170 4.181 4.105 4.229 0.059 4 0 "[ . 1 . 2]" 1
125 1 80 ALA MB 1 81 LYS H . . 3.340 3.046 2.818 3.153 . 0 0 "[ . 1 . 2]" 1
126 1 80 ALA MB 1 120 ARG QB . . 3.340 2.762 2.490 2.999 . 0 0 "[ . 1 . 2]" 1
127 1 80 ALA MB 1 120 ARG QD . . 3.750 3.704 3.249 3.785 0.035 19 0 "[ . 1 . 2]" 1
128 1 80 ALA MB 1 121 ALA H . . 3.340 2.953 2.653 3.298 . 0 0 "[ . 1 . 2]" 1
129 1 80 ALA MB 1 121 ALA HA . . 3.340 2.634 2.370 3.339 . 0 0 "[ . 1 . 2]" 1
130 1 80 ALA MB 1 121 ALA MB . . 3.340 2.211 2.087 2.319 . 0 0 "[ . 1 . 2]" 1
131 1 80 ALA MB 1 126 TRP HZ2 . . 3.340 2.817 2.216 3.369 0.029 17 0 "[ . 1 . 2]" 1
132 1 81 LYS H 1 81 LYS HB2 . . 3.600 2.597 2.253 2.785 . 0 0 "[ . 1 . 2]" 1
133 1 81 LYS H 1 81 LYS QB . . 3.130 2.128 2.055 2.196 . 0 0 "[ . 1 . 2]" 1
134 1 81 LYS H 1 81 LYS HB3 . . 3.600 2.294 2.124 2.577 . 0 0 "[ . 1 . 2]" 1
135 1 81 LYS H 1 81 LYS QG . . 4.290 4.007 3.862 4.094 . 0 0 "[ . 1 . 2]" 1
136 1 81 LYS H 1 82 GLU H . . 3.940 2.749 2.682 2.845 . 0 0 "[ . 1 . 2]" 1
137 1 81 LYS HA 1 84 LEU H . . 3.780 3.571 3.250 3.811 0.031 13 0 "[ . 1 . 2]" 1
138 1 81 LYS HA 1 84 LEU QB . . 5.340 2.495 2.089 3.080 . 0 0 "[ . 1 . 2]" 1
139 1 81 LYS HA 1 84 LEU QD . . 3.870 3.172 2.202 3.873 0.003 6 0 "[ . 1 . 2]" 1
140 1 81 LYS HA 1 95 ILE MG . . 4.250 3.351 2.704 4.047 . 0 0 "[ . 1 . 2]" 1
141 1 81 LYS HA 1 121 ALA MB . . 3.540 2.972 2.662 3.402 . 0 0 "[ . 1 . 2]" 1
142 1 81 LYS HB2 1 121 ALA MB . . 3.340 2.156 2.053 2.273 . 0 0 "[ . 1 . 2]" 1
143 1 81 LYS HB3 1 121 ALA MB . . 3.340 2.991 2.423 3.413 0.073 12 0 "[ . 1 . 2]" 1
144 1 81 LYS QG 1 82 GLU H . . 5.100 4.105 3.219 4.578 . 0 0 "[ . 1 . 2]" 1
145 1 81 LYS QG 1 95 ILE HA . . 4.290 4.142 3.596 4.343 0.053 8 0 "[ . 1 . 2]" 1
146 1 81 LYS QG 1 95 ILE MG . . 3.930 2.137 1.919 2.577 . 0 0 "[ . 1 . 2]" 1
147 1 81 LYS QG 1 98 ALA MB . . 3.890 3.348 2.261 3.927 0.037 7 0 "[ . 1 . 2]" 1
148 1 81 LYS QG 1 104 TRP HZ2 . . 5.340 3.914 2.998 4.798 . 0 0 "[ . 1 . 2]" 1
149 1 82 GLU H 1 82 GLU HB2 . . 3.810 2.442 2.239 2.613 . 0 0 "[ . 1 . 2]" 1
150 1 82 GLU H 1 82 GLU HB3 . . 3.810 2.943 2.541 3.632 . 0 0 "[ . 1 . 2]" 1
151 1 82 GLU H 1 82 GLU HG2 . . 4.660 4.038 2.284 4.679 0.019 3 0 "[ . 1 . 2]" 1
152 1 82 GLU H 1 82 GLU HG3 . . 4.660 4.243 3.670 4.578 . 0 0 "[ . 1 . 2]" 1
153 1 82 GLU H 1 83 LYS H . . 3.620 2.653 2.343 2.867 . 0 0 "[ . 1 . 2]" 1
154 1 82 GLU H 1 121 ALA MB . . 4.350 4.392 4.338 4.429 0.079 13 0 "[ . 1 . 2]" 1
155 1 82 GLU HA 1 82 GLU HG2 . . 4.090 3.230 2.953 3.746 . 0 0 "[ . 1 . 2]" 1
156 1 82 GLU HA 1 82 GLU QG . . 3.440 2.535 2.288 3.066 . 0 0 "[ . 1 . 2]" 1
157 1 82 GLU HA 1 82 GLU HG3 . . 4.090 2.772 2.353 3.799 . 0 0 "[ . 1 . 2]" 1
158 1 82 GLU HA 1 85 LEU QD . . 4.500 3.169 2.679 3.782 . 0 0 "[ . 1 . 2]" 1
159 1 82 GLU QB 1 83 LYS H . . 3.740 2.984 2.540 3.299 . 0 0 "[ . 1 . 2]" 1
160 1 82 GLU QG 1 85 LEU QD . . 4.980 4.375 3.659 4.991 0.011 2 0 "[ . 1 . 2]" 1
161 1 83 LYS H 1 83 LYS QB . . 2.970 2.664 2.338 3.008 0.038 13 0 "[ . 1 . 2]" 1
162 1 83 LYS H 1 83 LYS QE . . 4.650 4.184 3.595 4.688 0.038 11 0 "[ . 1 . 2]" 1
163 1 83 LYS H 1 83 LYS QG . . 3.330 2.311 2.021 2.793 . 0 0 "[ . 1 . 2]" 1
164 1 83 LYS H 1 84 LEU H . . 3.580 2.320 1.982 2.676 . 0 0 "[ . 1 . 2]" 1
165 1 83 LYS HA 1 83 LYS HG2 . . 3.880 3.350 2.445 3.823 . 0 0 "[ . 1 . 2]" 1
166 1 83 LYS HA 1 83 LYS QG . . 3.350 3.047 2.364 3.378 0.028 5 0 "[ . 1 . 2]" 1
167 1 83 LYS HA 1 83 LYS HG3 . . 3.880 3.568 3.015 3.833 . 0 0 "[ . 1 . 2]" 1
168 1 83 LYS QB 1 83 LYS QE . . 3.390 2.254 2.016 3.472 0.082 19 0 "[ . 1 . 2]" 1
169 1 83 LYS QD 1 117 LEU QD . . 5.440 3.667 2.182 5.444 0.004 16 0 "[ . 1 . 2]" 1
170 1 83 LYS QE 1 83 LYS QG . . 3.390 2.330 2.061 2.385 . 0 0 "[ . 1 . 2]" 1
171 1 83 LYS QE 1 117 LEU QD . . 5.440 3.800 2.038 5.432 . 0 0 "[ . 1 . 2]" 1
172 1 84 LEU H 1 84 LEU QB . . 3.170 2.159 1.947 2.415 . 0 0 "[ . 1 . 2]" 1
173 1 84 LEU H 1 84 LEU QD . . 4.150 3.627 3.059 3.761 . 0 0 "[ . 1 . 2]" 1
174 1 84 LEU H 1 85 LEU H . . 3.320 2.488 2.052 2.769 . 0 0 "[ . 1 . 2]" 1
175 1 84 LEU HA 1 84 LEU MD1 . . 3.710 3.405 2.405 3.764 0.054 2 0 "[ . 1 . 2]" 1
176 1 84 LEU HA 1 84 LEU MD2 . . 3.710 2.738 2.127 3.662 . 0 0 "[ . 1 . 2]" 1
177 1 84 LEU HA 1 117 LEU QD . . 4.150 3.478 2.802 4.155 0.005 2 0 "[ . 1 . 2]" 1
178 1 84 LEU QB 1 85 LEU H . . 3.590 3.021 2.772 3.275 . 0 0 "[ . 1 . 2]" 1
179 1 84 LEU QB 1 95 ILE MG . . 4.180 3.466 2.252 4.057 . 0 0 "[ . 1 . 2]" 1
180 1 84 LEU QB 1 117 LEU QD . . 5.280 3.296 2.168 5.021 . 0 0 "[ . 1 . 2]" 1
181 1 84 LEU QD 1 85 LEU H . . 4.150 3.571 3.243 4.225 0.075 2 0 "[ . 1 . 2]" 1
182 1 84 LEU QD 1 85 LEU QD . . 3.680 3.166 2.714 3.698 0.018 3 0 "[ . 1 . 2]" 1
183 1 84 LEU QD 1 88 MET ME . . 5.440 1.949 1.817 2.271 . 0 0 "[ . 1 . 2]" 1
184 1 84 LEU QD 1 111 PHE QE . . 3.460 2.507 2.336 2.865 . 0 0 "[ . 1 . 2]" 1
185 1 84 LEU QD 1 117 LEU H . . 4.040 3.776 3.405 4.063 0.023 19 0 "[ . 1 . 2]" 1
186 1 84 LEU QD 1 117 LEU QB . . 4.360 2.297 2.029 4.128 . 0 0 "[ . 1 . 2]" 1
187 1 84 LEU QD 1 117 LEU HG . . 5.220 3.852 2.125 4.246 . 0 0 "[ . 1 . 2]" 1
188 1 84 LEU QD 1 118 LEU H . . 3.410 2.835 2.472 3.071 . 0 0 "[ . 1 . 2]" 1
189 1 84 LEU QD 1 118 LEU HA . . 3.260 2.951 2.085 3.313 0.053 19 0 "[ . 1 . 2]" 1
190 1 84 LEU QD 1 118 LEU MD2 . . 3.690 2.202 2.054 2.654 . 0 0 "[ . 1 . 2]" 1
191 1 84 LEU MD1 1 111 PHE QE . . 4.130 2.952 2.352 4.138 0.008 2 0 "[ . 1 . 2]" 1
192 1 84 LEU MD1 1 118 LEU HA . . 3.930 3.153 2.099 3.950 0.020 3 0 "[ . 1 . 2]" 1
193 1 84 LEU MD2 1 111 PHE QE . . 4.130 2.951 2.432 3.977 . 0 0 "[ . 1 . 2]" 1
194 1 84 LEU MD2 1 118 LEU HA . . 3.930 3.830 2.707 3.973 0.043 7 0 "[ . 1 . 2]" 1
195 1 84 LEU HG 1 95 ILE MD . . 5.500 4.162 2.832 5.044 . 0 0 "[ . 1 . 2]" 1
196 1 84 LEU HG 1 117 LEU QD . . 4.250 4.151 2.679 4.272 0.022 11 0 "[ . 1 . 2]" 1
197 1 85 LEU H 1 85 LEU MD1 . . 4.880 3.629 3.282 3.780 . 0 0 "[ . 1 . 2]" 1
198 1 85 LEU H 1 85 LEU QD . . 3.550 3.054 1.974 3.508 . 0 0 "[ . 1 . 2]" 1
199 1 85 LEU H 1 85 LEU MD2 . . 4.880 3.408 1.990 4.161 . 0 0 "[ . 1 . 2]" 1
200 1 85 LEU H 1 85 LEU HG . . 4.070 2.868 2.063 4.261 0.191 7 0 "[ . 1 . 2]" 1
201 1 85 LEU H 1 88 MET ME . . 5.500 5.017 4.709 5.457 . 0 0 "[ . 1 . 2]" 1
202 1 85 LEU H 1 92 TYR QD . . 5.480 4.881 4.684 5.205 . 0 0 "[ . 1 . 2]" 1
203 1 85 LEU H 1 95 ILE MG . . 4.500 4.288 3.728 4.506 0.006 18 0 "[ . 1 . 2]" 1
204 1 85 LEU HA 1 85 LEU MD1 . . 3.930 3.450 2.141 3.927 . 0 0 "[ . 1 . 2]" 1
205 1 85 LEU HA 1 85 LEU MD2 . . 3.930 2.466 2.118 3.908 . 0 0 "[ . 1 . 2]" 1
206 1 85 LEU HA 1 88 MET H . . 5.500 5.089 4.854 5.451 . 0 0 "[ . 1 . 2]" 1
207 1 85 LEU HA 1 92 TYR QD . . 5.500 2.158 2.018 2.588 . 0 0 "[ . 1 . 2]" 1
208 1 85 LEU HA 1 95 ILE MG . . 4.150 3.982 3.243 4.178 0.028 2 0 "[ . 1 . 2]" 1
209 1 85 LEU QB 1 92 TYR QD . . 3.930 3.299 2.742 3.939 0.009 18 0 "[ . 1 . 2]" 1
210 1 85 LEU QB 1 92 TYR QE . . 4.740 2.758 2.256 4.635 . 0 0 "[ . 1 . 2]" 1
211 1 85 LEU QD 1 88 MET ME . . 4.960 3.990 3.494 4.482 . 0 0 "[ . 1 . 2]" 1
212 1 85 LEU QD 1 92 TYR HA . . 4.660 3.803 3.395 4.237 . 0 0 "[ . 1 . 2]" 1
213 1 85 LEU QD 1 92 TYR QD . . 4.520 2.114 2.020 2.324 . 0 0 "[ . 1 . 2]" 1
214 1 85 LEU QD 1 94 LYS HG3 . . 5.440 5.512 5.487 5.537 0.097 14 0 "[ . 1 . 2]" 1
215 1 85 LEU QD 1 95 ILE H . . 4.760 3.700 3.578 3.864 . 0 0 "[ . 1 . 2]" 1
216 1 85 LEU QD 1 95 ILE HA . . 5.440 3.770 3.669 3.871 . 0 0 "[ . 1 . 2]" 1
217 1 85 LEU QD 1 95 ILE HB . . 3.020 2.148 2.059 2.276 . 0 0 "[ . 1 . 2]" 1
218 1 85 LEU QD 1 95 ILE MD . . 4.810 3.260 3.128 3.477 . 0 0 "[ . 1 . 2]" 1
219 1 85 LEU QD 1 95 ILE MG . . 3.680 1.983 1.855 2.038 . 0 0 "[ . 1 . 2]" 1
220 1 85 LEU QD 1 96 SER H . . 3.730 2.667 2.507 2.833 . 0 0 "[ . 1 . 2]" 1
221 1 85 LEU QD 1 96 SER QB . . 4.450 2.918 2.113 3.616 . 0 0 "[ . 1 . 2]" 1
222 1 85 LEU MD1 1 92 TYR QD . . 5.350 3.751 2.030 4.672 . 0 0 "[ . 1 . 2]" 1
223 1 85 LEU MD1 1 92 TYR QE . . 4.860 3.472 2.424 4.270 . 0 0 "[ . 1 . 2]" 1
224 1 85 LEU MD1 1 95 ILE MG . . 4.290 2.812 1.981 3.913 . 0 0 "[ . 1 . 2]" 1
225 1 85 LEU MD1 1 96 SER H . . 4.800 3.660 2.594 4.378 . 0 0 "[ . 1 . 2]" 1
226 1 85 LEU MD1 1 96 SER HA . . 4.800 2.483 2.107 2.821 . 0 0 "[ . 1 . 2]" 1
227 1 85 LEU MD2 1 92 TYR QD . . 5.350 2.600 2.024 4.290 . 0 0 "[ . 1 . 2]" 1
228 1 85 LEU MD2 1 92 TYR QE . . 4.860 2.999 2.442 4.851 . 0 0 "[ . 1 . 2]" 1
229 1 85 LEU MD2 1 95 ILE MG . . 4.290 2.233 1.980 3.788 . 0 0 "[ . 1 . 2]" 1
230 1 85 LEU MD2 1 96 SER H . . 4.800 3.148 2.558 4.813 0.013 8 0 "[ . 1 . 2]" 1
231 1 85 LEU MD2 1 96 SER HA . . 4.800 2.916 2.503 4.019 . 0 0 "[ . 1 . 2]" 1
232 1 85 LEU HG 1 95 ILE MG . . 4.610 3.159 2.348 4.499 . 0 0 "[ . 1 . 2]" 1
233 1 86 ASP H 1 86 ASP QB . . 3.740 2.922 2.633 3.442 . 0 0 "[ . 1 . 2]" 1
234 1 86 ASP H 1 87 GLU H . . 4.280 2.369 1.764 3.058 . 0 0 "[ . 1 . 2]" 1
235 1 86 ASP H 1 88 MET H . . 4.980 3.799 3.445 4.215 . 0 0 "[ . 1 . 2]" 1
236 1 86 ASP H 1 88 MET ME . . 5.500 3.886 3.151 4.671 . 0 0 "[ . 1 . 2]" 1
237 1 86 ASP H 1 92 TYR QD . . 4.320 2.962 1.892 4.345 0.025 13 0 "[ . 1 . 2]" 1
238 1 86 ASP H 1 92 TYR QE . . 5.500 3.737 2.463 5.460 . 0 0 "[ . 1 . 2]" 1
239 1 86 ASP QB 1 87 GLU H . . 4.350 3.446 2.890 4.043 . 0 0 "[ . 1 . 2]" 1
240 1 87 GLU H 1 87 GLU QB . . 3.680 2.344 2.125 2.474 . 0 0 "[ . 1 . 2]" 1
241 1 87 GLU H 1 87 GLU QG . . 3.930 2.556 2.221 3.991 0.061 4 0 "[ . 1 . 2]" 1
242 1 87 GLU H 1 88 MET H . . 3.700 2.699 2.432 2.919 . 0 0 "[ . 1 . 2]" 1
243 1 87 GLU H 1 88 MET QG . . 4.380 3.901 3.500 4.416 0.036 8 0 "[ . 1 . 2]" 1
244 1 87 GLU HA 1 87 GLU HG2 . . 4.250 2.981 2.402 3.771 . 0 0 "[ . 1 . 2]" 1
245 1 87 GLU HA 1 87 GLU QG . . 3.720 2.806 2.332 2.986 . 0 0 "[ . 1 . 2]" 1
246 1 87 GLU HA 1 87 GLU HG3 . . 4.250 3.595 3.118 3.790 . 0 0 "[ . 1 . 2]" 1
247 1 87 GLU QB 1 88 MET H . . 4.000 3.346 3.100 3.532 . 0 0 "[ . 1 . 2]" 1
248 1 87 GLU QB 1 117 LEU QD . . 5.440 5.010 4.490 5.445 0.005 11 0 "[ . 1 . 2]" 1
249 1 87 GLU QG 1 117 LEU QD . . 4.850 4.006 2.913 4.858 0.008 7 0 "[ . 1 . 2]" 1
250 1 88 MET H 1 88 MET QB . . 3.600 3.354 3.323 3.396 . 0 0 "[ . 1 . 2]" 1
251 1 88 MET H 1 88 MET ME . . 5.000 3.524 2.487 3.943 . 0 0 "[ . 1 . 2]" 1
252 1 88 MET H 1 88 MET QG . . 3.310 2.526 2.398 2.936 . 0 0 "[ . 1 . 2]" 1
253 1 88 MET H 1 89 GLN H . . 4.560 4.268 3.224 4.378 . 0 0 "[ . 1 . 2]" 1
254 1 88 MET H 1 89 GLN HA . . 5.500 4.524 4.001 4.679 . 0 0 "[ . 1 . 2]" 1
255 1 88 MET H 1 90 ASP H . . 5.500 5.534 5.397 5.576 0.076 11 0 "[ . 1 . 2]" 1
256 1 88 MET HA 1 88 MET ME . . 5.310 5.036 4.516 5.214 . 0 0 "[ . 1 . 2]" 1
257 1 88 MET HA 1 91 VAL MG1 . . 5.110 5.078 4.182 5.168 0.058 4 0 "[ . 1 . 2]" 1
258 1 88 MET QB 1 92 TYR QD . . 5.130 4.830 4.649 5.123 . 0 0 "[ . 1 . 2]" 1
259 1 88 MET ME 1 91 VAL MG1 . . 5.000 2.834 2.528 3.559 . 0 0 "[ . 1 . 2]" 1
260 1 88 MET ME 1 92 TYR H . . 5.000 3.947 3.723 4.126 . 0 0 "[ . 1 . 2]" 1
261 1 88 MET ME 1 92 TYR HA . . 4.700 3.034 2.840 3.556 . 0 0 "[ . 1 . 2]" 1
262 1 88 MET ME 1 92 TYR HB2 . . 5.000 2.388 2.197 2.722 . 0 0 "[ . 1 . 2]" 1
263 1 88 MET ME 1 92 TYR HB3 . . 5.000 2.979 2.451 3.300 . 0 0 "[ . 1 . 2]" 1
264 1 88 MET ME 1 92 TYR QD . . 4.170 3.723 3.233 4.172 0.002 7 0 "[ . 1 . 2]" 1
265 1 88 MET ME 1 93 ASN H . . 5.500 5.512 5.436 5.537 0.037 2 0 "[ . 1 . 2]" 1
266 1 88 MET ME 1 95 ILE MD . . 5.080 2.626 2.382 3.134 . 0 0 "[ . 1 . 2]" 1
267 1 88 MET ME 1 111 PHE QD . . 4.570 4.429 4.219 4.582 0.012 8 0 "[ . 1 . 2]" 1
268 1 88 MET ME 1 111 PHE QE . . 4.310 2.442 2.248 2.717 . 0 0 "[ . 1 . 2]" 1
269 1 88 MET ME 1 114 ILE MD . . 5.310 4.680 4.407 4.948 . 0 0 "[ . 1 . 2]" 1
270 1 88 MET QG 1 89 GLN H . . 5.340 3.695 3.434 4.514 . 0 0 "[ . 1 . 2]" 1
271 1 88 MET QG 1 89 GLN HA . . 5.340 4.380 4.130 5.212 . 0 0 "[ . 1 . 2]" 1
272 1 88 MET QG 1 92 TYR H . . 5.240 2.743 2.594 2.979 . 0 0 "[ . 1 . 2]" 1
273 1 88 MET QG 1 95 ILE MD . . 4.690 4.187 3.946 4.625 . 0 0 "[ . 1 . 2]" 1
274 1 88 MET QG 1 114 ILE MG . . 4.730 3.929 2.217 4.592 . 0 0 "[ . 1 . 2]" 1
275 1 88 MET HG2 1 95 ILE MD . . 5.500 4.749 4.289 4.970 . 0 0 "[ . 1 . 2]" 1
276 1 88 MET HG3 1 95 ILE MD . . 5.500 4.672 4.350 5.507 0.007 14 0 "[ . 1 . 2]" 1
277 1 89 GLN H 1 89 GLN QB . . 3.670 2.476 2.161 2.659 . 0 0 "[ . 1 . 2]" 1
278 1 89 GLN H 1 89 GLN HG2 . . 4.790 4.638 4.540 4.752 . 0 0 "[ . 1 . 2]" 1
279 1 89 GLN H 1 89 GLN QG . . 4.200 4.121 3.921 4.198 . 0 0 "[ . 1 . 2]" 1
280 1 89 GLN H 1 89 GLN HG3 . . 4.790 4.617 4.260 4.674 . 0 0 "[ . 1 . 2]" 1
281 1 89 GLN H 1 90 ASP H . . 4.350 2.241 1.976 3.395 . 0 0 "[ . 1 . 2]" 1
282 1 89 GLN H 1 91 VAL H . . 4.610 4.449 4.192 4.686 0.076 16 0 "[ . 1 . 2]" 1
283 1 89 GLN H 1 92 TYR H . . 5.100 4.556 4.290 5.112 0.012 14 0 "[ . 1 . 2]" 1
284 1 89 GLN H 1 92 TYR QD . . 4.470 4.328 3.796 4.487 0.017 14 0 "[ . 1 . 2]" 1
285 1 89 GLN H 1 92 TYR QE . . 5.500 5.517 5.043 5.574 0.074 5 0 "[ . 1 . 2]" 1
286 1 89 GLN HA 1 89 GLN QE . . 3.850 3.853 3.654 3.874 0.024 16 0 "[ . 1 . 2]" 1
287 1 89 GLN HA 1 92 TYR H . . 4.360 4.364 4.211 4.406 0.046 6 0 "[ . 1 . 2]" 1
288 1 89 GLN HA 1 92 TYR HB3 . . 4.090 3.738 3.360 4.136 0.046 16 0 "[ . 1 . 2]" 1
289 1 89 GLN HA 1 92 TYR QD . . 5.500 2.339 2.105 2.522 . 0 0 "[ . 1 . 2]" 1
290 1 89 GLN HA 1 92 TYR QE . . 4.960 2.724 2.634 2.837 . 0 0 "[ . 1 . 2]" 1
291 1 89 GLN QB 1 89 GLN HE21 . . 4.030 3.585 3.515 3.761 . 0 0 "[ . 1 . 2]" 1
292 1 89 GLN QB 1 89 GLN QE . . 3.540 2.685 2.516 3.024 . 0 0 "[ . 1 . 2]" 1
293 1 89 GLN QB 1 89 GLN HE22 . . 4.030 2.775 2.578 3.187 . 0 0 "[ . 1 . 2]" 1
294 1 89 GLN QB 1 90 ASP H . . 3.670 3.446 2.637 3.750 0.080 12 0 "[ . 1 . 2]" 1
295 1 89 GLN QB 1 92 TYR QD . . 4.850 4.324 4.131 4.403 . 0 0 "[ . 1 . 2]" 1
296 1 89 GLN QB 1 92 TYR QE . . 5.220 4.319 4.111 4.406 . 0 0 "[ . 1 . 2]" 1
297 1 89 GLN QG 1 92 TYR QD . . 5.340 3.794 3.582 3.970 . 0 0 "[ . 1 . 2]" 1
298 1 89 GLN QG 1 92 TYR QE . . 4.550 2.756 2.267 3.251 . 0 0 "[ . 1 . 2]" 1
299 1 89 GLN QG 1 93 ASN HD21 . . 3.890 3.620 2.937 3.897 0.007 7 0 "[ . 1 . 2]" 1
300 1 89 GLN HG2 1 93 ASN HD21 . . 4.660 3.963 3.333 4.287 . 0 0 "[ . 1 . 2]" 1
301 1 89 GLN HG2 1 93 ASN HD22 . . 4.660 3.931 3.514 4.705 0.045 2 0 "[ . 1 . 2]" 1
302 1 89 GLN HG3 1 93 ASN HD21 . . 4.660 4.198 3.263 4.663 0.003 14 0 "[ . 1 . 2]" 1
303 1 89 GLN HG3 1 93 ASN HD22 . . 4.660 4.205 3.711 4.731 0.071 8 0 "[ . 1 . 2]" 1
304 1 90 ASP H 1 90 ASP QB . . 2.920 2.512 2.262 2.963 0.043 11 0 "[ . 1 . 2]" 1
305 1 90 ASP H 1 91 VAL H . . 3.850 2.569 2.407 2.830 . 0 0 "[ . 1 . 2]" 1
306 1 90 ASP H 1 92 TYR H . . 3.810 2.999 2.682 3.862 0.052 16 0 "[ . 1 . 2]" 1
307 1 90 ASP HA 1 93 ASN H . . 4.080 3.885 3.502 4.124 0.044 16 0 "[ . 1 . 2]" 1
308 1 90 ASP HA 1 93 ASN QB . . 4.030 3.250 2.744 4.030 0.000 2 0 "[ . 1 . 2]" 1
309 1 90 ASP HA 1 93 ASN HD21 . . 4.660 4.322 3.225 4.699 0.039 15 0 "[ . 1 . 2]" 1
310 1 90 ASP HA 1 93 ASN HD22 . . 3.920 2.953 2.234 3.308 . 0 0 "[ . 1 . 2]" 1
311 1 90 ASP QB 1 91 VAL H . . 3.170 2.321 2.032 3.067 . 0 0 "[ . 1 . 2]" 1
312 1 90 ASP QB 1 91 VAL HB . . 3.900 3.868 3.710 3.959 0.059 11 0 "[ . 1 . 2]" 1
313 1 90 ASP HB2 1 91 VAL H . . 3.820 3.402 2.222 3.817 . 0 0 "[ . 1 . 2]" 1
314 1 90 ASP HB3 1 91 VAL H . . 3.820 2.600 2.044 3.892 0.072 16 0 "[ . 1 . 2]" 1
315 1 91 VAL H 1 91 VAL HB . . 3.570 2.443 2.293 2.951 . 0 0 "[ . 1 . 2]" 1
316 1 91 VAL H 1 91 VAL MG1 . . 3.510 2.258 2.114 2.369 . 0 0 "[ . 1 . 2]" 1
317 1 91 VAL H 1 91 VAL MG2 . . 3.970 3.795 3.723 3.992 0.022 16 0 "[ . 1 . 2]" 1
318 1 91 VAL H 1 93 ASN H . . 4.360 4.241 3.546 4.436 0.076 18 0 "[ . 1 . 2]" 1
319 1 91 VAL H 1 114 ILE MD . . 5.420 5.283 4.793 5.435 0.015 16 0 "[ . 1 . 2]" 1
320 1 91 VAL HA 1 93 ASN H . . 4.140 3.784 3.475 3.974 . 0 0 "[ . 1 . 2]" 1
321 1 91 VAL HA 1 94 LYS H . . 4.660 4.674 4.569 4.722 0.062 7 0 "[ . 1 . 2]" 1
322 1 91 VAL HA 1 107 ILE MD . . 5.070 3.656 3.257 4.158 . 0 0 "[ . 1 . 2]" 1
323 1 91 VAL HA 1 107 ILE HG13 . . 4.700 4.734 4.699 4.766 0.066 18 0 "[ . 1 . 2]" 1
324 1 91 VAL HB 1 92 TYR H . . 4.560 4.197 4.077 4.317 . 0 0 "[ . 1 . 2]" 1
325 1 91 VAL HB 1 114 ILE MD . . 3.780 3.705 3.455 3.808 0.028 16 0 "[ . 1 . 2]" 1
326 1 91 VAL MG1 1 92 TYR H . . 4.160 2.824 2.542 3.074 . 0 0 "[ . 1 . 2]" 1
327 1 91 VAL MG1 1 92 TYR HA . . 4.600 3.642 3.426 3.910 . 0 0 "[ . 1 . 2]" 1
328 1 91 VAL MG1 1 95 ILE MD . . 4.280 3.616 3.327 3.895 . 0 0 "[ . 1 . 2]" 1
329 1 91 VAL MG1 1 107 ILE MD . . 3.970 3.909 3.591 3.988 0.018 3 0 "[ . 1 . 2]" 1
330 1 91 VAL MG1 1 111 PHE HA . . 5.500 5.258 4.914 5.486 . 0 0 "[ . 1 . 2]" 1
331 1 91 VAL MG1 1 111 PHE QD . . 4.470 4.410 4.112 4.509 0.039 4 0 "[ . 1 . 2]" 1
332 1 91 VAL MG1 1 111 PHE QE . . 3.750 3.037 2.681 3.129 . 0 0 "[ . 1 . 2]" 1
333 1 91 VAL MG1 1 111 PHE HZ . . 3.970 2.436 2.253 2.753 . 0 0 "[ . 1 . 2]" 1
334 1 91 VAL MG2 1 107 ILE MD . . 4.800 2.275 2.136 2.418 . 0 0 "[ . 1 . 2]" 1
335 1 91 VAL MG2 1 110 GLU QB . . 4.490 3.566 2.839 4.486 . 0 0 "[ . 1 . 2]" 1
336 1 91 VAL MG2 1 110 GLU QG . . 4.220 3.557 2.951 4.243 0.023 4 0 "[ . 1 . 2]" 1
337 1 91 VAL MG2 1 111 PHE HA . . 5.500 5.009 4.719 5.282 . 0 0 "[ . 1 . 2]" 1
338 1 91 VAL MG2 1 111 PHE QD . . 3.970 3.493 3.377 3.591 . 0 0 "[ . 1 . 2]" 1
339 1 91 VAL MG2 1 111 PHE QE . . 3.970 2.212 2.137 2.320 . 0 0 "[ . 1 . 2]" 1
340 1 92 TYR H 1 92 TYR HB3 . . 3.810 2.134 1.978 2.272 . 0 0 "[ . 1 . 2]" 1
341 1 92 TYR H 1 92 TYR QD . . 3.270 2.887 2.635 3.159 . 0 0 "[ . 1 . 2]" 1
342 1 92 TYR H 1 92 TYR QE . . 5.470 5.181 4.961 5.413 . 0 0 "[ . 1 . 2]" 1
343 1 92 TYR H 1 93 ASN H . . 3.590 2.446 2.244 2.656 . 0 0 "[ . 1 . 2]" 1
344 1 92 TYR HA 1 94 LYS H . . 5.500 4.062 3.859 4.250 . 0 0 "[ . 1 . 2]" 1
345 1 92 TYR HA 1 95 ILE MD . . 4.490 2.155 2.052 2.286 . 0 0 "[ . 1 . 2]" 1
346 1 92 TYR HB3 1 93 ASN H . . 3.840 3.723 3.509 3.880 0.040 14 0 "[ . 1 . 2]" 1
347 1 92 TYR QD 1 93 ASN H . . 3.070 2.813 2.586 3.086 0.016 16 0 "[ . 1 . 2]" 1
348 1 92 TYR QD 1 93 ASN HA . . 5.390 3.293 2.822 3.732 . 0 0 "[ . 1 . 2]" 1
349 1 92 TYR QD 1 93 ASN QB . . 5.340 3.628 3.185 4.245 . 0 0 "[ . 1 . 2]" 1
350 1 92 TYR QD 1 95 ILE MG . . 4.520 4.291 4.018 4.521 0.001 3 0 "[ . 1 . 2]" 1
351 1 92 TYR QE 1 93 ASN H . . 5.100 4.581 4.323 4.815 . 0 0 "[ . 1 . 2]" 1
352 1 92 TYR QE 1 93 ASN HA . . 4.860 3.550 3.379 3.799 . 0 0 "[ . 1 . 2]" 1
353 1 92 TYR QE 1 95 ILE MG . . 5.500 5.535 5.516 5.551 0.051 9 0 "[ . 1 . 2]" 1
354 1 92 TYR QE 1 96 SER H . . 5.500 4.968 4.063 5.498 . 0 0 "[ . 1 . 2]" 1
355 1 93 ASN H 1 93 ASN QB . . 3.570 2.083 1.983 2.316 . 0 0 "[ . 1 . 2]" 1
356 1 93 ASN H 1 93 ASN HD22 . . 3.650 3.352 2.560 3.677 0.027 10 0 "[ . 1 . 2]" 1
357 1 93 ASN H 1 94 LYS H . . 3.330 2.947 2.793 3.166 . 0 0 "[ . 1 . 2]" 1
358 1 93 ASN H 1 95 ILE MD . . 5.500 5.036 4.872 5.235 . 0 0 "[ . 1 . 2]" 1
359 1 93 ASN HA 1 93 ASN HD21 . . 4.730 3.919 3.712 4.213 . 0 0 "[ . 1 . 2]" 1
360 1 93 ASN QB 1 94 LYS H . . 3.320 3.059 2.916 3.234 . 0 0 "[ . 1 . 2]" 1
361 1 93 ASN HB2 1 94 LYS H . . 3.840 3.672 3.238 3.858 0.018 14 0 "[ . 1 . 2]" 1
362 1 93 ASN HB3 1 94 LYS H . . 3.840 3.349 3.043 3.854 0.014 8 0 "[ . 1 . 2]" 1
363 1 94 LYS H 1 94 LYS QB . . 3.580 2.390 2.139 2.746 . 0 0 "[ . 1 . 2]" 1
364 1 94 LYS H 1 94 LYS HG2 . . 3.740 3.319 2.336 3.744 0.004 17 0 "[ . 1 . 2]" 1
365 1 94 LYS H 1 94 LYS HG3 . . 5.000 2.854 2.628 3.143 . 0 0 "[ . 1 . 2]" 1
366 1 94 LYS H 1 95 ILE H . . 3.480 2.458 2.311 2.530 . 0 0 "[ . 1 . 2]" 1
367 1 94 LYS H 1 107 ILE MD . . 4.460 4.195 3.873 4.401 . 0 0 "[ . 1 . 2]" 1
368 1 94 LYS HA 1 94 LYS QE . . 4.510 4.589 4.196 4.687 0.177 19 0 "[ . 1 . 2]" 1
369 1 94 LYS HA 1 97 GLN H . . 4.530 3.842 3.599 4.166 . 0 0 "[ . 1 . 2]" 1
370 1 94 LYS QE 1 98 ALA H . . 4.590 3.724 3.389 4.323 . 0 0 "[ . 1 . 2]" 1
371 1 94 LYS QE 1 98 ALA MB . . 3.620 3.363 2.118 3.666 0.046 13 0 "[ . 1 . 2]" 1
372 1 94 LYS QE 1 104 TRP HE1 . . 3.880 3.392 2.832 3.902 0.022 18 0 "[ . 1 . 2]" 1
373 1 94 LYS QE 1 104 TRP HZ2 . . 3.540 3.340 2.716 3.610 0.070 14 0 "[ . 1 . 2]" 1
374 1 94 LYS HE2 1 95 ILE MG . . 5.500 4.321 3.670 5.130 . 0 0 "[ . 1 . 2]" 1
375 1 94 LYS HE2 1 118 LEU MD2 . . 5.120 4.395 4.152 5.120 0.000 1 0 "[ . 1 . 2]" 1
376 1 94 LYS HE3 1 95 ILE MG . . 5.500 4.521 3.896 5.139 . 0 0 "[ . 1 . 2]" 1
377 1 94 LYS HE3 1 118 LEU MD2 . . 5.120 5.055 4.695 5.180 0.060 11 0 "[ . 1 . 2]" 1
378 1 94 LYS HG3 1 95 ILE H . . 3.520 2.612 2.476 2.726 . 0 0 "[ . 1 . 2]" 1
379 1 94 LYS HG3 1 95 ILE HA . . 4.390 3.449 3.221 3.618 . 0 0 "[ . 1 . 2]" 1
380 1 94 LYS HG3 1 118 LEU MD2 . . 5.500 5.442 5.100 5.556 0.056 19 0 "[ . 1 . 2]" 1
381 1 95 ILE H 1 95 ILE HB . . 2.970 2.465 2.346 2.561 . 0 0 "[ . 1 . 2]" 1
382 1 95 ILE H 1 95 ILE MD . . 3.630 3.627 3.536 3.673 0.043 1 0 "[ . 1 . 2]" 1
383 1 95 ILE H 1 95 ILE MG . . 4.000 3.784 3.741 3.809 . 0 0 "[ . 1 . 2]" 1
384 1 95 ILE H 1 96 SER H . . 3.420 2.610 2.534 2.677 . 0 0 "[ . 1 . 2]" 1
385 1 95 ILE H 1 107 ILE MD . . 4.410 4.405 4.255 4.439 0.029 18 0 "[ . 1 . 2]" 1
386 1 95 ILE HA 1 95 ILE MD . . 4.030 3.858 3.788 3.930 . 0 0 "[ . 1 . 2]" 1
387 1 95 ILE HA 1 95 ILE QG . . 3.730 2.424 2.303 2.549 . 0 0 "[ . 1 . 2]" 1
388 1 95 ILE HA 1 97 GLN H . . 4.920 3.564 3.326 4.185 . 0 0 "[ . 1 . 2]" 1
389 1 95 ILE HA 1 98 ALA H . . 4.910 3.501 3.220 4.349 . 0 0 "[ . 1 . 2]" 1
390 1 95 ILE HA 1 98 ALA MB . . 4.080 2.812 2.110 3.155 . 0 0 "[ . 1 . 2]" 1
391 1 95 ILE HA 1 107 ILE MD . . 4.870 4.871 4.731 4.943 0.073 1 0 "[ . 1 . 2]" 1
392 1 95 ILE HB 1 95 ILE MD . . 3.730 2.468 2.380 2.513 . 0 0 "[ . 1 . 2]" 1
393 1 95 ILE HB 1 96 SER H . . 3.890 3.065 2.904 3.247 . 0 0 "[ . 1 . 2]" 1
394 1 95 ILE MD 1 96 SER H . . 5.500 4.995 4.809 5.149 . 0 0 "[ . 1 . 2]" 1
395 1 95 ILE MD 1 104 TRP HH2 . . 5.270 4.210 3.878 4.521 . 0 0 "[ . 1 . 2]" 1
396 1 95 ILE MD 1 104 TRP HZ2 . . 5.500 5.341 4.872 5.523 0.023 2 0 "[ . 1 . 2]" 1
397 1 95 ILE MD 1 104 TRP HZ3 . . 4.940 4.700 4.232 4.949 0.009 4 0 "[ . 1 . 2]" 1
398 1 95 ILE MD 1 111 PHE QE . . 3.420 2.367 2.276 2.535 . 0 0 "[ . 1 . 2]" 1
399 1 95 ILE MD 1 111 PHE HZ . . 5.500 2.548 2.404 2.685 . 0 0 "[ . 1 . 2]" 1
400 1 95 ILE MD 1 118 LEU MD1 . . 4.630 3.665 3.476 3.951 . 0 0 "[ . 1 . 2]" 1
401 1 95 ILE MG 1 96 SER H . . 4.000 3.798 3.624 4.006 0.006 14 0 "[ . 1 . 2]" 1
402 1 95 ILE MG 1 96 SER HA . . 4.610 4.029 3.744 4.192 . 0 0 "[ . 1 . 2]" 1
403 1 95 ILE MG 1 104 TRP HH2 . . 4.000 3.217 2.606 3.973 . 0 0 "[ . 1 . 2]" 1
404 1 95 ILE MG 1 104 TRP HZ2 . . 4.500 3.775 2.815 4.513 0.013 2 0 "[ . 1 . 2]" 1
405 1 95 ILE MG 1 118 LEU MD2 . . 4.610 2.744 2.407 3.013 . 0 0 "[ . 1 . 2]" 1
406 1 96 SER H 1 96 SER HB2 . . 4.200 2.976 2.561 3.565 . 0 0 "[ . 1 . 2]" 1
407 1 96 SER H 1 96 SER QB . . 3.520 2.555 2.507 2.633 . 0 0 "[ . 1 . 2]" 1
408 1 96 SER H 1 96 SER HB3 . . 4.200 3.200 2.618 3.578 . 0 0 "[ . 1 . 2]" 1
409 1 96 SER H 1 97 GLN H . . 3.890 2.823 2.602 2.999 . 0 0 "[ . 1 . 2]" 1
410 1 96 SER QB 1 97 GLN H . . 3.800 3.424 2.619 3.843 0.043 5 0 "[ . 1 . 2]" 1
411 1 97 GLN H 1 97 GLN QB . . 3.650 2.536 2.218 3.271 . 0 0 "[ . 1 . 2]" 1
412 1 97 GLN H 1 97 GLN QG . . 4.100 3.547 2.463 4.161 0.061 18 0 "[ . 1 . 2]" 1
413 1 97 GLN HA 1 97 GLN QG . . 3.600 2.628 2.347 3.499 . 0 0 "[ . 1 . 2]" 1
414 1 97 GLN QB 1 98 ALA H . . 3.410 2.384 2.060 3.432 0.022 19 0 "[ . 1 . 2]" 1
415 1 97 GLN QB 1 99 GLU H . . 5.340 3.307 2.818 3.909 . 0 0 "[ . 1 . 2]" 1
416 1 97 GLN HB2 1 98 ALA H . . 4.130 3.166 2.107 3.956 . 0 0 "[ . 1 . 2]" 1
417 1 97 GLN HB3 1 98 ALA H . . 4.130 2.860 2.083 4.136 0.006 19 0 "[ . 1 . 2]" 1
418 1 97 GLN QG 1 98 ALA H . . 3.980 3.733 2.848 4.031 0.051 18 0 "[ . 1 . 2]" 1
419 1 97 GLN QG 1 99 GLU H . . 5.060 3.745 2.174 5.103 0.043 9 0 "[ . 1 . 2]" 1
420 1 98 ALA H 1 98 ALA MB . . 3.340 2.801 2.698 2.859 . 0 0 "[ . 1 . 2]" 1
421 1 98 ALA H 1 99 GLU H . . 3.780 3.027 2.861 3.265 . 0 0 "[ . 1 . 2]" 1
422 1 98 ALA H 1 100 ASN H . . 4.680 4.074 3.653 4.686 0.006 18 0 "[ . 1 . 2]" 1
423 1 98 ALA HA 1 99 GLU H . . 3.160 3.174 2.930 3.283 0.123 11 0 "[ . 1 . 2]" 1
424 1 98 ALA HA 1 100 ASN H . . 3.540 3.339 2.857 3.582 0.042 11 0 "[ . 1 . 2]" 1
425 1 98 ALA MB 1 99 GLU H . . 3.750 3.478 3.175 3.706 . 0 0 "[ . 1 . 2]" 1
426 1 98 ALA MB 1 100 ASN H . . 4.940 4.446 4.189 4.637 . 0 0 "[ . 1 . 2]" 1
427 1 98 ALA MB 1 104 TRP HE1 . . 3.330 2.819 2.391 3.332 0.002 2 0 "[ . 1 . 2]" 1
428 1 98 ALA MB 1 104 TRP HZ2 . . 3.340 2.158 1.972 2.306 . 0 0 "[ . 1 . 2]" 1
429 1 99 GLU H 1 99 GLU QB . . 3.650 2.438 2.162 2.806 . 0 0 "[ . 1 . 2]" 1
430 1 99 GLU H 1 99 GLU HG2 . . 4.780 3.660 2.025 4.730 . 0 0 "[ . 1 . 2]" 1
431 1 99 GLU H 1 99 GLU HG3 . . 4.780 3.236 2.440 4.509 . 0 0 "[ . 1 . 2]" 1
432 1 99 GLU H 1 100 ASN H . . 4.160 2.535 2.197 3.078 . 0 0 "[ . 1 . 2]" 1
433 1 99 GLU H 1 100 ASN HA . . 4.850 4.851 4.432 4.934 0.084 9 0 "[ . 1 . 2]" 1
434 1 99 GLU HA 1 99 GLU QG . . 3.340 2.543 2.189 3.369 0.029 11 0 "[ . 1 . 2]" 1
435 1 99 GLU QB 1 100 ASN H . . 3.810 3.544 3.262 3.880 0.070 18 0 "[ . 1 . 2]" 1
436 1 99 GLU HB2 1 100 ASN H . . 4.420 3.946 3.422 4.360 . 0 0 "[ . 1 . 2]" 1
437 1 99 GLU HB3 1 100 ASN H . . 4.420 4.158 3.396 4.425 0.005 8 0 "[ . 1 . 2]" 1
438 1 99 GLU QG 1 100 ASN H . . 4.820 4.258 2.992 4.686 . 0 0 "[ . 1 . 2]" 1
439 1 100 ASN H 1 100 ASN HB2 . . 4.160 2.571 2.303 3.492 . 0 0 "[ . 1 . 2]" 1
440 1 100 ASN H 1 100 ASN HB3 . . 4.160 3.223 2.345 3.593 . 0 0 "[ . 1 . 2]" 1
441 1 100 ASN HA 1 100 ASN QD . . 3.850 3.065 2.297 3.874 0.024 12 0 "[ . 1 . 2]" 1
442 1 102 ASP QB 1 103 ASP H . . 4.670 3.320 2.674 3.911 . 0 0 "[ . 1 . 2]" 1
443 1 103 ASP H 1 104 TRP H . . 3.660 2.578 2.105 2.952 . 0 0 "[ . 1 . 2]" 1
444 1 103 ASP QB 1 104 TRP H . . 3.740 3.113 2.717 3.782 0.042 1 0 "[ . 1 . 2]" 1
445 1 104 TRP H 1 104 TRP HD1 . . 3.540 3.164 2.830 3.542 0.002 7 0 "[ . 1 . 2]" 1
446 1 104 TRP H 1 105 LEU H . . 4.140 2.880 2.753 2.990 . 0 0 "[ . 1 . 2]" 1
447 1 104 TRP H 1 106 THR H . . 4.770 4.519 4.135 4.706 . 0 0 "[ . 1 . 2]" 1
448 1 104 TRP HA 1 107 ILE MD . . 4.330 4.326 4.176 4.386 0.056 7 0 "[ . 1 . 2]" 1
449 1 104 TRP HA 1 107 ILE MG . . 3.710 2.212 2.122 2.308 . 0 0 "[ . 1 . 2]" 1
450 1 104 TRP HB2 1 104 TRP HD1 . . 3.440 2.613 2.558 2.679 . 0 0 "[ . 1 . 2]" 1
451 1 104 TRP HB2 1 105 LEU H . . 4.110 3.167 2.926 3.356 . 0 0 "[ . 1 . 2]" 1
452 1 104 TRP HB3 1 105 LEU H . . 3.650 3.586 3.390 3.671 0.021 16 0 "[ . 1 . 2]" 1
453 1 104 TRP HB3 1 107 ILE MG . . 4.170 4.078 3.860 4.181 0.011 17 0 "[ . 1 . 2]" 1
454 1 104 TRP HB3 1 108 SER H . . 5.500 5.393 4.807 5.514 0.014 20 0 "[ . 1 . 2]" 1
455 1 104 TRP HE3 1 107 ILE MD . . 5.400 5.016 4.343 5.362 . 0 0 "[ . 1 . 2]" 1
456 1 104 TRP HE3 1 107 ILE MG . . 4.280 2.956 2.298 3.324 . 0 0 "[ . 1 . 2]" 1
457 1 104 TRP HE3 1 118 LEU MD2 . . 4.280 4.129 4.024 4.288 0.008 4 0 "[ . 1 . 2]" 1
458 1 104 TRP HE3 1 122 GLN HE22 . . 5.070 3.626 3.050 5.047 . 0 0 "[ . 1 . 2]" 1
459 1 104 TRP HH2 1 107 ILE MG . . 5.500 4.944 4.520 5.113 . 0 0 "[ . 1 . 2]" 1
460 1 104 TRP HH2 1 118 LEU MD2 . . 4.440 2.357 2.153 2.546 . 0 0 "[ . 1 . 2]" 1
461 1 104 TRP HH2 1 121 ALA MB . . 3.340 3.339 2.949 3.385 0.045 4 0 "[ . 1 . 2]" 1
462 1 104 TRP HZ2 1 107 ILE MG . . 5.500 5.466 5.200 5.545 0.045 10 0 "[ . 1 . 2]" 1
463 1 104 TRP HZ2 1 121 ALA MB . . 5.500 5.071 4.625 5.224 . 0 0 "[ . 1 . 2]" 1
464 1 104 TRP HZ3 1 107 ILE MD . . 5.490 4.985 3.917 5.496 0.006 1 0 "[ . 1 . 2]" 1
465 1 104 TRP HZ3 1 107 ILE MG . . 4.170 3.712 2.856 4.095 . 0 0 "[ . 1 . 2]" 1
466 1 104 TRP HZ3 1 118 LEU MD1 . . 3.930 2.185 2.015 2.372 . 0 0 "[ . 1 . 2]" 1
467 1 104 TRP HZ3 1 118 LEU MD2 . . 3.930 2.224 2.094 2.434 . 0 0 "[ . 1 . 2]" 1
468 1 105 LEU H 1 105 LEU HB3 . . 3.420 2.422 2.344 2.535 . 0 0 "[ . 1 . 2]" 1
469 1 105 LEU H 1 105 LEU MD1 . . 4.790 4.243 4.173 4.310 . 0 0 "[ . 1 . 2]" 1
470 1 105 LEU H 1 105 LEU QD . . 4.070 3.790 3.741 3.835 . 0 0 "[ . 1 . 2]" 1
471 1 105 LEU H 1 105 LEU MD2 . . 4.790 4.265 4.205 4.321 . 0 0 "[ . 1 . 2]" 1
472 1 105 LEU H 1 105 LEU HG . . 5.500 4.445 4.388 4.511 . 0 0 "[ . 1 . 2]" 1
473 1 105 LEU H 1 106 THR H . . 3.200 2.697 2.495 2.865 . 0 0 "[ . 1 . 2]" 1
474 1 105 LEU H 1 108 SER H . . 5.500 4.850 4.712 4.962 . 0 0 "[ . 1 . 2]" 1
475 1 105 LEU HA 1 105 LEU MD1 . . 4.170 2.185 2.128 2.234 . 0 0 "[ . 1 . 2]" 1
476 1 105 LEU HA 1 105 LEU QD . . 3.000 2.174 2.119 2.221 . 0 0 "[ . 1 . 2]" 1
477 1 105 LEU HA 1 105 LEU MD2 . . 4.170 3.902 3.881 3.923 . 0 0 "[ . 1 . 2]" 1
478 1 105 LEU HA 1 105 LEU HG . . 3.260 3.212 3.090 3.287 0.027 14 0 "[ . 1 . 2]" 1
479 1 105 LEU HA 1 108 SER H . . 3.850 3.718 3.459 3.867 0.017 9 0 "[ . 1 . 2]" 1
480 1 105 LEU HB2 1 106 THR H . . 4.240 3.854 3.722 3.954 . 0 0 "[ . 1 . 2]" 1
481 1 105 LEU HB3 1 105 LEU QD . . 3.120 2.281 2.262 2.289 . 0 0 "[ . 1 . 2]" 1
482 1 105 LEU HB3 1 106 THR H . . 3.160 2.465 2.310 2.616 . 0 0 "[ . 1 . 2]" 1
483 1 105 LEU QD 1 106 THR H . . 4.350 3.762 3.601 3.907 . 0 0 "[ . 1 . 2]" 1
484 1 105 LEU QD 1 109 ASN HD21 . . 3.000 2.739 2.446 3.002 0.002 10 0 "[ . 1 . 2]" 1
485 1 105 LEU QD 1 109 ASN HD22 . . 3.810 3.231 2.938 3.815 0.005 1 0 "[ . 1 . 2]" 1
486 1 105 LEU MD1 1 106 THR H . . 5.470 4.386 4.239 4.536 . 0 0 "[ . 1 . 2]" 1
487 1 105 LEU MD1 1 109 ASN HD21 . . 4.170 2.788 2.462 3.077 . 0 0 "[ . 1 . 2]" 1
488 1 105 LEU MD2 1 106 THR H . . 5.470 4.096 3.891 4.292 . 0 0 "[ . 1 . 2]" 1
489 1 105 LEU MD2 1 109 ASN HD21 . . 4.170 4.092 3.545 4.195 0.025 16 0 "[ . 1 . 2]" 1
490 1 105 LEU HG 1 106 THR HA . . 4.200 3.582 3.315 3.761 . 0 0 "[ . 1 . 2]" 1
491 1 105 LEU HG 1 109 ASN HD21 . . 3.260 3.025 2.559 3.216 . 0 0 "[ . 1 . 2]" 1
492 1 105 LEU HG 1 109 ASN HD22 . . 3.920 3.280 2.932 3.414 . 0 0 "[ . 1 . 2]" 1
493 1 106 THR H 1 106 THR MG . . 4.730 3.751 3.737 3.788 . 0 0 "[ . 1 . 2]" 1
494 1 106 THR H 1 107 ILE H . . 3.230 2.850 2.739 2.906 . 0 0 "[ . 1 . 2]" 1
495 1 106 THR H 1 108 SER H . . 5.500 4.259 4.129 4.405 . 0 0 "[ . 1 . 2]" 1
496 1 106 THR HA 1 109 ASN H . . 5.080 3.683 3.449 3.859 . 0 0 "[ . 1 . 2]" 1
497 1 106 THR HA 1 109 ASN HD21 . . 3.920 3.937 3.892 3.961 0.041 10 0 "[ . 1 . 2]" 1
498 1 106 THR HA 1 109 ASN HD22 . . 3.920 2.761 2.644 2.829 . 0 0 "[ . 1 . 2]" 1
499 1 106 THR HB 1 107 ILE H . . 3.520 2.646 2.554 2.746 . 0 0 "[ . 1 . 2]" 1
500 1 106 THR MG 1 107 ILE H . . 5.080 3.639 3.524 3.708 . 0 0 "[ . 1 . 2]" 1
501 1 106 THR MG 1 107 ILE HA . . 5.080 3.780 3.669 3.851 . 0 0 "[ . 1 . 2]" 1
502 1 106 THR MG 1 109 ASN QB . . 4.950 3.828 3.580 4.049 . 0 0 "[ . 1 . 2]" 1
503 1 106 THR MG 1 110 GLU QG . . 5.080 4.092 3.607 4.748 . 0 0 "[ . 1 . 2]" 1
504 1 107 ILE H 1 107 ILE HB . . 4.110 2.198 2.126 2.267 . 0 0 "[ . 1 . 2]" 1
505 1 107 ILE H 1 107 ILE MD . . 4.380 4.315 4.226 4.400 0.020 13 0 "[ . 1 . 2]" 1
506 1 107 ILE H 1 107 ILE HG12 . . 4.750 4.562 4.507 4.620 . 0 0 "[ . 1 . 2]" 1
507 1 107 ILE H 1 107 ILE HG13 . . 4.410 4.104 3.977 4.267 . 0 0 "[ . 1 . 2]" 1
508 1 107 ILE H 1 107 ILE MG . . 3.460 2.634 2.448 2.828 . 0 0 "[ . 1 . 2]" 1
509 1 107 ILE H 1 108 SER H . . 3.670 2.707 2.629 2.788 . 0 0 "[ . 1 . 2]" 1
510 1 107 ILE HA 1 107 ILE MD . . 3.890 3.774 3.685 3.810 . 0 0 "[ . 1 . 2]" 1
511 1 107 ILE HA 1 107 ILE MG . . 3.710 3.219 3.193 3.234 . 0 0 "[ . 1 . 2]" 1
512 1 107 ILE HA 1 110 GLU H . . 3.560 3.507 3.370 3.596 0.036 17 0 "[ . 1 . 2]" 1
513 1 107 ILE HA 1 110 GLU QG . . 4.160 2.661 2.423 2.970 . 0 0 "[ . 1 . 2]" 1
514 1 107 ILE HB 1 108 SER H . . 5.500 3.830 3.749 3.898 . 0 0 "[ . 1 . 2]" 1
515 1 107 ILE HB 1 109 ASN H . . 5.500 5.541 5.516 5.561 0.061 18 0 "[ . 1 . 2]" 1
516 1 107 ILE MD 1 107 ILE MG . . 3.710 2.067 1.987 2.097 . 0 0 "[ . 1 . 2]" 1
517 1 107 ILE MD 1 108 SER H . . 5.500 5.028 4.877 5.171 . 0 0 "[ . 1 . 2]" 1
518 1 107 ILE HG12 1 110 GLU QG . . 4.650 3.942 3.268 4.472 . 0 0 "[ . 1 . 2]" 1
519 1 107 ILE HG12 1 111 PHE HZ . . 5.500 4.941 4.647 5.094 . 0 0 "[ . 1 . 2]" 1
520 1 107 ILE HG13 1 107 ILE MG . . 3.710 3.269 3.241 3.284 . 0 0 "[ . 1 . 2]" 1
521 1 107 ILE HG13 1 108 SER H . . 5.500 5.259 5.171 5.305 . 0 0 "[ . 1 . 2]" 1
522 1 107 ILE MG 1 108 SER H . . 3.710 2.319 2.231 2.459 . 0 0 "[ . 1 . 2]" 1
523 1 107 ILE MG 1 108 SER HA . . 4.800 3.311 3.217 3.401 . 0 0 "[ . 1 . 2]" 1
524 1 107 ILE MG 1 110 GLU QG . . 5.500 4.805 4.299 5.145 . 0 0 "[ . 1 . 2]" 1
525 1 107 ILE MG 1 111 PHE H . . 4.590 4.415 4.299 4.594 0.004 17 0 "[ . 1 . 2]" 1
526 1 107 ILE MG 1 111 PHE HB2 . . 3.710 3.596 3.382 3.730 0.020 19 0 "[ . 1 . 2]" 1
527 1 107 ILE MG 1 111 PHE QD . . 3.710 2.528 2.247 2.685 . 0 0 "[ . 1 . 2]" 1
528 1 107 ILE MG 1 111 PHE QE . . 3.710 3.595 3.359 3.742 0.032 13 0 "[ . 1 . 2]" 1
529 1 108 SER H 1 109 ASN H . . 4.390 2.661 2.599 2.709 . 0 0 "[ . 1 . 2]" 1
530 1 108 SER H 1 110 GLU H . . 5.500 4.188 4.088 4.320 . 0 0 "[ . 1 . 2]" 1
531 1 108 SER H 1 118 LEU MD1 . . 4.910 4.437 4.247 4.676 . 0 0 "[ . 1 . 2]" 1
532 1 108 SER HA 1 118 LEU MD1 . . 4.800 3.174 2.939 3.480 . 0 0 "[ . 1 . 2]" 1
533 1 108 SER HA 1 122 GLN HE21 . . 4.800 3.312 2.716 3.864 . 0 0 "[ . 1 . 2]" 1
534 1 108 SER QB 1 111 PHE H . . 5.100 4.773 4.560 4.998 . 0 0 "[ . 1 . 2]" 1
535 1 108 SER QB 1 118 LEU MD1 . . 3.930 3.803 3.419 3.954 0.024 13 0 "[ . 1 . 2]" 1
536 1 109 ASN H 1 109 ASN HB2 . . 3.700 2.342 2.302 2.378 . 0 0 "[ . 1 . 2]" 1
537 1 109 ASN H 1 109 ASN HB3 . . 3.700 3.591 3.572 3.605 . 0 0 "[ . 1 . 2]" 1
538 1 109 ASN H 1 109 ASN HD22 . . 3.920 2.476 2.288 3.933 0.013 1 0 "[ . 1 . 2]" 1
539 1 109 ASN H 1 110 GLU H . . 3.780 2.577 2.497 2.748 . 0 0 "[ . 1 . 2]" 1
540 1 109 ASN QB 1 110 GLU H . . 3.380 3.207 3.089 3.288 . 0 0 "[ . 1 . 2]" 1
541 1 109 ASN QB 1 110 GLU QG . . 4.100 3.645 3.227 4.111 0.011 5 0 "[ . 1 . 2]" 1
542 1 109 ASN HB2 1 110 GLU H . . 4.110 3.377 3.251 3.486 . 0 0 "[ . 1 . 2]" 1
543 1 109 ASN HB3 1 110 GLU H . . 4.110 3.999 3.856 4.116 0.006 1 0 "[ . 1 . 2]" 1
544 1 110 GLU H 1 110 GLU HB2 . . 4.040 3.078 2.633 3.853 . 0 0 "[ . 1 . 2]" 1
545 1 110 GLU H 1 110 GLU QB . . 3.500 2.761 2.579 3.063 . 0 0 "[ . 1 . 2]" 1
546 1 110 GLU H 1 110 GLU HB3 . . 4.040 3.523 3.132 3.738 . 0 0 "[ . 1 . 2]" 1
547 1 110 GLU H 1 110 GLU QG . . 3.810 2.310 2.156 2.403 . 0 0 "[ . 1 . 2]" 1
548 1 110 GLU H 1 111 PHE H . . 3.720 2.153 2.038 2.240 . 0 0 "[ . 1 . 2]" 1
549 1 110 GLU H 1 111 PHE HB2 . . 4.080 4.008 3.901 4.083 0.003 8 0 "[ . 1 . 2]" 1
550 1 110 GLU HA 1 110 GLU QG . . 3.780 3.029 2.541 3.387 . 0 0 "[ . 1 . 2]" 1
551 1 110 GLU QB 1 111 PHE H . . 4.210 2.977 2.466 3.815 . 0 0 "[ . 1 . 2]" 1
552 1 110 GLU QG 1 111 PHE H . . 3.740 3.417 2.666 3.798 0.058 9 0 "[ . 1 . 2]" 1
553 1 111 PHE H 1 111 PHE HB2 . . 3.760 2.147 2.108 2.173 . 0 0 "[ . 1 . 2]" 1
554 1 111 PHE H 1 111 PHE HB3 . . 3.410 3.434 3.341 3.470 0.060 19 0 "[ . 1 . 2]" 1
555 1 111 PHE H 1 111 PHE QD . . 4.230 3.162 2.969 3.353 . 0 0 "[ . 1 . 2]" 1
556 1 111 PHE H 1 112 ASP H . . 3.740 2.728 2.673 2.777 . 0 0 "[ . 1 . 2]" 1
557 1 111 PHE H 1 112 ASP HB2 . . 4.500 4.559 4.539 4.576 0.076 13 0 "[ . 1 . 2]" 1
558 1 111 PHE H 1 113 LEU H . . 4.660 4.481 4.323 4.670 0.010 10 0 "[ . 1 . 2]" 1
559 1 111 PHE H 1 114 ILE HB . . 4.880 4.719 4.435 4.928 0.048 17 0 "[ . 1 . 2]" 1
560 1 111 PHE H 1 118 LEU MD1 . . 4.910 4.340 4.186 4.570 . 0 0 "[ . 1 . 2]" 1
561 1 111 PHE HA 1 111 PHE QD . . 3.460 2.646 2.434 2.808 . 0 0 "[ . 1 . 2]" 1
562 1 111 PHE HA 1 111 PHE QE . . 4.450 4.248 4.203 4.306 . 0 0 "[ . 1 . 2]" 1
563 1 111 PHE HA 1 114 ILE H . . 3.710 2.593 2.475 2.808 . 0 0 "[ . 1 . 2]" 1
564 1 111 PHE HA 1 114 ILE HB . . 3.200 2.062 2.014 2.131 . 0 0 "[ . 1 . 2]" 1
565 1 111 PHE HA 1 114 ILE MD . . 3.870 2.457 2.138 3.209 . 0 0 "[ . 1 . 2]" 1
566 1 111 PHE HA 1 114 ILE MG . . 3.670 3.713 3.688 3.726 0.056 12 0 "[ . 1 . 2]" 1
567 1 111 PHE HB2 1 112 ASP H . . 4.230 3.504 3.372 3.634 . 0 0 "[ . 1 . 2]" 1
568 1 111 PHE HB2 1 118 LEU MD1 . . 4.250 2.500 2.360 2.715 . 0 0 "[ . 1 . 2]" 1
569 1 111 PHE HB3 1 112 ASP H . . 4.210 3.689 3.541 3.848 . 0 0 "[ . 1 . 2]" 1
570 1 111 PHE HB3 1 115 SER H . . 3.880 3.656 3.468 3.850 . 0 0 "[ . 1 . 2]" 1
571 1 111 PHE HB3 1 118 LEU MD1 . . 4.530 2.447 2.311 2.612 . 0 0 "[ . 1 . 2]" 1
572 1 111 PHE HB3 1 118 LEU MD2 . . 5.500 4.925 4.763 5.049 . 0 0 "[ . 1 . 2]" 1
573 1 111 PHE QD 1 114 ILE HB . . 4.120 2.610 2.501 2.869 . 0 0 "[ . 1 . 2]" 1
574 1 111 PHE QD 1 114 ILE MD . . 4.800 3.375 3.207 3.883 . 0 0 "[ . 1 . 2]" 1
575 1 111 PHE QD 1 114 ILE MG . . 3.670 3.212 3.064 3.310 . 0 0 "[ . 1 . 2]" 1
576 1 111 PHE QD 1 115 SER H . . 3.650 2.183 2.077 2.287 . 0 0 "[ . 1 . 2]" 1
577 1 111 PHE QD 1 115 SER HA . . 4.420 4.204 4.004 4.333 . 0 0 "[ . 1 . 2]" 1
578 1 111 PHE QD 1 115 SER QB . . 3.950 2.353 2.158 2.522 . 0 0 "[ . 1 . 2]" 1
579 1 111 PHE QD 1 118 LEU H . . 4.280 3.889 3.720 4.046 . 0 0 "[ . 1 . 2]" 1
580 1 111 PHE QD 1 118 LEU HB2 . . 3.440 3.279 3.029 3.451 0.011 19 0 "[ . 1 . 2]" 1
581 1 111 PHE QD 1 118 LEU HB3 . . 3.980 2.741 2.577 2.916 . 0 0 "[ . 1 . 2]" 1
582 1 111 PHE QD 1 118 LEU MD1 . . 3.580 2.790 2.461 3.009 . 0 0 "[ . 1 . 2]" 1
583 1 111 PHE QD 1 118 LEU MD2 . . 4.710 4.158 4.013 4.246 . 0 0 "[ . 1 . 2]" 1
584 1 111 PHE QD 1 118 LEU HG . . 3.710 3.112 2.992 3.229 . 0 0 "[ . 1 . 2]" 1
585 1 111 PHE QE 1 114 ILE HB . . 4.100 3.402 3.300 3.690 . 0 0 "[ . 1 . 2]" 1
586 1 111 PHE QE 1 114 ILE MD . . 4.270 3.581 3.362 3.967 . 0 0 "[ . 1 . 2]" 1
587 1 111 PHE QE 1 114 ILE MG . . 3.670 2.487 2.380 2.621 . 0 0 "[ . 1 . 2]" 1
588 1 111 PHE QE 1 115 SER H . . 3.880 3.913 3.815 3.933 0.053 11 0 "[ . 1 . 2]" 1
589 1 111 PHE QE 1 118 LEU MD1 . . 3.930 3.779 3.476 3.943 0.013 20 0 "[ . 1 . 2]" 1
590 1 111 PHE QE 1 118 LEU MD2 . . 3.930 3.909 3.750 3.962 0.032 8 0 "[ . 1 . 2]" 1
591 1 111 PHE HZ 1 114 ILE MD . . 4.720 4.048 3.742 4.493 . 0 0 "[ . 1 . 2]" 1
592 1 111 PHE HZ 1 114 ILE MG . . 4.460 3.494 3.253 3.850 . 0 0 "[ . 1 . 2]" 1
593 1 111 PHE HZ 1 118 LEU MD1 . . 5.500 4.903 4.661 5.079 . 0 0 "[ . 1 . 2]" 1
594 1 112 ASP H 1 112 ASP HB2 . . 3.470 2.115 2.074 2.160 . 0 0 "[ . 1 . 2]" 1
595 1 112 ASP H 1 112 ASP HB3 . . 3.600 2.677 2.618 2.772 . 0 0 "[ . 1 . 2]" 1
596 1 112 ASP H 1 113 LEU H . . 4.730 2.808 2.741 2.876 . 0 0 "[ . 1 . 2]" 1
597 1 112 ASP H 1 113 LEU HB2 . . 5.370 4.990 4.862 5.132 . 0 0 "[ . 1 . 2]" 1
598 1 112 ASP H 1 113 LEU HG . . 4.980 4.802 4.712 4.985 0.005 16 0 "[ . 1 . 2]" 1
599 1 112 ASP H 1 114 ILE H . . 5.180 4.082 3.992 4.268 . 0 0 "[ . 1 . 2]" 1
600 1 112 ASP H 1 114 ILE HB . . 5.500 5.267 5.157 5.318 . 0 0 "[ . 1 . 2]" 1
601 1 112 ASP HB2 1 113 LEU H . . 3.630 3.667 3.643 3.678 0.048 19 0 "[ . 1 . 2]" 1
602 1 112 ASP HB2 1 113 LEU HB2 . . 5.500 5.532 5.507 5.560 0.060 2 0 "[ . 1 . 2]" 1
603 1 112 ASP HB2 1 113 LEU MD1 . . 5.500 5.390 5.311 5.473 . 0 0 "[ . 1 . 2]" 1
604 1 112 ASP HB3 1 113 LEU H . . 3.310 2.573 2.529 2.728 . 0 0 "[ . 1 . 2]" 1
605 1 112 ASP HB3 1 113 LEU HA . . 4.410 4.420 4.357 4.460 0.050 14 0 "[ . 1 . 2]" 1
606 1 112 ASP HB3 1 113 LEU HB2 . . 4.670 3.986 3.917 4.069 . 0 0 "[ . 1 . 2]" 1
607 1 112 ASP HB3 1 113 LEU MD2 . . 4.120 3.849 3.739 4.037 . 0 0 "[ . 1 . 2]" 1
608 1 113 LEU H 1 113 LEU HB2 . . 2.860 2.415 2.319 2.543 . 0 0 "[ . 1 . 2]" 1
609 1 113 LEU H 1 113 LEU HB3 . . 3.780 3.655 3.595 3.741 . 0 0 "[ . 1 . 2]" 1
610 1 113 LEU H 1 113 LEU MD1 . . 4.410 3.912 3.808 4.025 . 0 0 "[ . 1 . 2]" 1
611 1 113 LEU H 1 113 LEU MD2 . . 3.940 3.784 3.693 3.928 . 0 0 "[ . 1 . 2]" 1
612 1 113 LEU H 1 113 LEU HG . . 3.610 2.866 2.746 3.047 . 0 0 "[ . 1 . 2]" 1
613 1 113 LEU H 1 114 ILE H . . 3.730 2.185 2.094 2.262 . 0 0 "[ . 1 . 2]" 1
614 1 113 LEU HA 1 113 LEU MD2 . . 3.070 2.123 2.090 2.143 . 0 0 "[ . 1 . 2]" 1
615 1 113 LEU HA 1 113 LEU HG . . 3.260 3.130 3.074 3.171 . 0 0 "[ . 1 . 2]" 1
616 1 113 LEU HA 1 114 ILE H . . 3.550 3.474 3.351 3.574 0.024 11 0 "[ . 1 . 2]" 1
617 1 113 LEU HB3 1 114 ILE H . . 4.020 3.936 3.532 4.077 0.057 3 0 "[ . 1 . 2]" 1
618 1 113 LEU MD2 1 116 ARG HD2 . . 5.500 5.386 5.064 5.526 0.026 12 0 "[ . 1 . 2]" 1
619 1 113 LEU MD2 1 116 ARG HD3 . . 5.500 5.177 4.549 5.528 0.028 13 0 "[ . 1 . 2]" 1
620 1 114 ILE H 1 114 ILE MD . . 3.700 3.487 3.333 3.627 . 0 0 "[ . 1 . 2]" 1
621 1 114 ILE H 1 114 ILE HG12 . . 3.670 3.638 3.482 3.701 0.031 17 0 "[ . 1 . 2]" 1
622 1 114 ILE H 1 114 ILE HG13 . . 3.670 2.257 2.071 2.404 . 0 0 "[ . 1 . 2]" 1
623 1 114 ILE H 1 114 ILE MG . . 3.900 3.846 3.811 3.861 . 0 0 "[ . 1 . 2]" 1
624 1 114 ILE HA 1 114 ILE MD . . 3.930 3.930 3.874 3.947 0.017 2 0 "[ . 1 . 2]" 1
625 1 114 ILE HA 1 114 ILE HG12 . . 3.710 2.707 2.599 2.763 . 0 0 "[ . 1 . 2]" 1
626 1 114 ILE HA 1 114 ILE HG13 . . 3.710 2.982 2.884 3.082 . 0 0 "[ . 1 . 2]" 1
627 1 114 ILE HA 1 114 ILE MG . . 3.540 2.447 2.409 2.526 . 0 0 "[ . 1 . 2]" 1
628 1 114 ILE HB 1 115 SER H . . 3.650 2.278 2.246 2.303 . 0 0 "[ . 1 . 2]" 1
629 1 114 ILE MD 1 115 SER H . . 4.110 4.156 4.127 4.192 0.082 17 0 "[ . 1 . 2]" 1
630 1 114 ILE HG12 1 114 ILE MG . . 3.670 2.377 2.344 2.417 . 0 0 "[ . 1 . 2]" 1
631 1 114 ILE HG13 1 114 ILE MG . . 3.670 3.233 3.222 3.247 . 0 0 "[ . 1 . 2]" 1
632 1 114 ILE HG13 1 115 SER H . . 4.110 4.167 4.125 4.201 0.091 19 0 "[ . 1 . 2]" 1
633 1 114 ILE MG 1 115 SER H . . 3.650 3.163 2.936 3.269 . 0 0 "[ . 1 . 2]" 1
634 1 115 SER H 1 116 ARG H . . 4.560 4.092 3.991 4.182 . 0 0 "[ . 1 . 2]" 1
635 1 115 SER HA 1 116 ARG QG . . 5.340 4.397 3.579 5.381 0.041 12 0 "[ . 1 . 2]" 1
636 1 115 SER QB 1 118 LEU MD1 . . 4.940 4.970 4.934 4.986 0.046 11 0 "[ . 1 . 2]" 1
637 1 116 ARG H 1 116 ARG QB . . 3.380 2.436 2.184 2.705 . 0 0 "[ . 1 . 2]" 1
638 1 116 ARG H 1 116 ARG HD2 . . 4.420 3.298 2.443 4.151 . 0 0 "[ . 1 . 2]" 1
639 1 116 ARG H 1 116 ARG QD . . 3.560 2.874 2.307 3.290 . 0 0 "[ . 1 . 2]" 1
640 1 116 ARG H 1 116 ARG HD3 . . 4.420 3.540 2.703 4.333 . 0 0 "[ . 1 . 2]" 1
641 1 116 ARG H 1 116 ARG HG2 . . 4.860 2.918 1.894 4.217 . 0 0 "[ . 1 . 2]" 1
642 1 116 ARG H 1 116 ARG QG . . 4.060 2.724 1.885 3.705 . 0 0 "[ . 1 . 2]" 1
643 1 116 ARG H 1 116 ARG HG3 . . 4.860 3.793 3.460 4.114 . 0 0 "[ . 1 . 2]" 1
644 1 116 ARG H 1 117 LEU H . . 4.190 2.724 2.582 2.835 . 0 0 "[ . 1 . 2]" 1
645 1 116 ARG H 1 117 LEU QD . . 4.750 4.586 3.388 4.755 0.005 15 0 "[ . 1 . 2]" 1
646 1 116 ARG HA 1 116 ARG QD . . 3.510 2.442 2.196 2.802 . 0 0 "[ . 1 . 2]" 1
647 1 116 ARG HA 1 119 VAL H . . 4.040 3.281 2.921 4.058 0.018 3 0 "[ . 1 . 2]" 1
648 1 116 ARG HA 1 119 VAL HB . . 5.500 3.271 2.481 4.634 . 0 0 "[ . 1 . 2]" 1
649 1 116 ARG HA 1 119 VAL MG1 . . 5.500 4.213 2.133 4.859 . 0 0 "[ . 1 . 2]" 1
650 1 116 ARG HA 1 119 VAL QG . . 4.850 2.423 2.131 3.139 . 0 0 "[ . 1 . 2]" 1
651 1 116 ARG HA 1 119 VAL MG2 . . 5.500 2.689 2.240 5.515 0.015 3 0 "[ . 1 . 2]" 1
652 1 116 ARG QB 1 116 ARG QD . . 3.130 2.840 2.464 2.984 . 0 0 "[ . 1 . 2]" 1
653 1 116 ARG QB 1 117 LEU H . . 3.820 3.197 3.035 3.421 . 0 0 "[ . 1 . 2]" 1
654 1 117 LEU H 1 117 LEU HB2 . . 4.060 2.614 2.392 3.790 . 0 0 "[ . 1 . 2]" 1
655 1 117 LEU H 1 117 LEU QB . . 3.410 2.476 2.359 2.967 . 0 0 "[ . 1 . 2]" 1
656 1 117 LEU H 1 117 LEU HB3 . . 4.060 3.535 2.491 3.647 . 0 0 "[ . 1 . 2]" 1
657 1 117 LEU H 1 117 LEU QD . . 3.560 3.058 2.147 3.227 . 0 0 "[ . 1 . 2]" 1
658 1 117 LEU H 1 117 LEU HG . . 3.620 2.357 2.216 2.536 . 0 0 "[ . 1 . 2]" 1
659 1 117 LEU H 1 118 LEU HB3 . . 4.980 4.896 4.609 5.007 0.027 15 0 "[ . 1 . 2]" 1
660 1 117 LEU HA 1 117 LEU HG . . 3.830 3.261 3.102 3.737 . 0 0 "[ . 1 . 2]" 1
661 1 117 LEU QD 1 118 LEU H . . 5.440 4.140 3.286 4.370 . 0 0 "[ . 1 . 2]" 1
662 1 117 LEU QD 1 120 ARG H . . 5.330 4.797 4.576 5.191 . 0 0 "[ . 1 . 2]" 1
663 1 117 LEU QD 1 120 ARG QD . . 4.010 2.732 2.246 4.020 0.010 3 0 "[ . 1 . 2]" 1
664 1 117 LEU QD 1 120 ARG QG . . 5.280 4.167 3.328 4.903 . 0 0 "[ . 1 . 2]" 1
665 1 117 LEU QD 1 126 TRP HH2 . . 5.440 4.299 3.045 5.442 0.002 12 0 "[ . 1 . 2]" 1
666 1 118 LEU H 1 118 LEU HB2 . . 3.570 2.444 2.361 2.514 . 0 0 "[ . 1 . 2]" 1
667 1 118 LEU H 1 118 LEU HB3 . . 2.920 2.459 2.383 2.534 . 0 0 "[ . 1 . 2]" 1
668 1 118 LEU H 1 118 LEU MD1 . . 4.170 4.174 4.111 4.216 0.046 10 0 "[ . 1 . 2]" 1
669 1 118 LEU H 1 118 LEU MD2 . . 4.170 4.146 4.084 4.188 0.018 2 0 "[ . 1 . 2]" 1
670 1 118 LEU H 1 118 LEU HG . . 4.640 4.514 4.478 4.554 . 0 0 "[ . 1 . 2]" 1
671 1 118 LEU H 1 119 VAL H . . 4.040 2.693 2.634 2.804 . 0 0 "[ . 1 . 2]" 1
672 1 118 LEU H 1 119 VAL QG . . 5.330 3.926 3.748 4.050 . 0 0 "[ . 1 . 2]" 1
673 1 118 LEU HA 1 118 LEU MD1 . . 3.930 3.296 3.218 3.369 . 0 0 "[ . 1 . 2]" 1
674 1 118 LEU HA 1 118 LEU MD2 . . 3.930 2.173 2.108 2.224 . 0 0 "[ . 1 . 2]" 1
675 1 118 LEU HA 1 118 LEU HG . . 3.710 3.709 3.658 3.734 0.024 2 0 "[ . 1 . 2]" 1
676 1 118 LEU HA 1 121 ALA H . . 4.800 3.164 2.962 3.530 . 0 0 "[ . 1 . 2]" 1
677 1 118 LEU HA 1 121 ALA MB . . 3.850 2.522 2.164 3.201 . 0 0 "[ . 1 . 2]" 1
678 1 118 LEU HB2 1 119 VAL H . . 4.440 3.886 3.804 4.017 . 0 0 "[ . 1 . 2]" 1
679 1 118 LEU HB3 1 119 VAL H . . 3.090 2.634 2.493 2.812 . 0 0 "[ . 1 . 2]" 1
680 1 118 LEU MD1 1 119 VAL H . . 3.330 3.258 3.065 3.373 0.043 17 0 "[ . 1 . 2]" 1
681 1 118 LEU MD1 1 119 VAL HA . . 3.930 3.130 2.905 3.422 . 0 0 "[ . 1 . 2]" 1
682 1 118 LEU MD1 1 121 ALA H . . 4.660 4.663 4.567 4.705 0.045 20 0 "[ . 1 . 2]" 1
683 1 118 LEU MD1 1 122 GLN HE21 . . 3.930 2.812 2.644 3.279 . 0 0 "[ . 1 . 2]" 1
684 1 118 LEU MD1 1 122 GLN HG2 . . 3.980 3.253 2.515 3.621 . 0 0 "[ . 1 . 2]" 1
685 1 118 LEU MD2 1 119 VAL H . . 5.090 4.432 4.342 4.537 . 0 0 "[ . 1 . 2]" 1
686 1 118 LEU MD2 1 120 ARG H . . 5.500 5.470 5.220 5.526 0.026 18 0 "[ . 1 . 2]" 1
687 1 118 LEU MD2 1 121 ALA H . . 4.170 4.153 4.045 4.220 0.050 19 0 "[ . 1 . 2]" 1
688 1 118 LEU MD2 1 122 GLN H . . 4.820 3.923 3.567 4.245 . 0 0 "[ . 1 . 2]" 1
689 1 118 LEU MD2 1 122 GLN HE22 . . 5.230 3.763 3.499 4.108 . 0 0 "[ . 1 . 2]" 1
690 1 118 LEU MD2 1 122 GLN HG2 . . 4.350 4.213 3.523 4.365 0.015 18 0 "[ . 1 . 2]" 1
691 1 118 LEU HG 1 122 GLN HE22 . . 4.800 4.825 4.802 4.860 0.060 11 0 "[ . 1 . 2]" 1
692 1 119 VAL H 1 119 VAL HB . . 4.000 2.730 2.411 2.841 . 0 0 "[ . 1 . 2]" 1
693 1 119 VAL H 1 119 VAL MG1 . . 4.730 3.694 2.313 3.858 . 0 0 "[ . 1 . 2]" 1
694 1 119 VAL H 1 119 VAL QG . . 3.960 2.007 1.883 2.329 . 0 0 "[ . 1 . 2]" 1
695 1 119 VAL H 1 119 VAL MG2 . . 4.730 2.165 1.888 3.867 . 0 0 "[ . 1 . 2]" 1
696 1 119 VAL H 1 120 ARG QG . . 4.890 4.580 4.110 4.855 . 0 0 "[ . 1 . 2]" 1
697 1 119 VAL HA 1 122 GLN H . . 4.800 3.721 3.598 3.960 . 0 0 "[ . 1 . 2]" 1
698 1 119 VAL HA 1 122 GLN QB . . 4.410 4.381 4.254 4.433 0.023 8 0 "[ . 1 . 2]" 1
699 1 119 VAL HA 1 122 GLN HE22 . . 3.700 2.310 2.034 2.591 . 0 0 "[ . 1 . 2]" 1
700 1 119 VAL HA 1 122 GLN HG2 . . 3.330 2.392 2.234 2.593 . 0 0 "[ . 1 . 2]" 1
701 1 119 VAL HA 1 122 GLN HG3 . . 3.790 3.342 2.639 3.730 . 0 0 "[ . 1 . 2]" 1
702 1 119 VAL HB 1 120 ARG H . . 4.100 2.794 2.538 4.025 . 0 0 "[ . 1 . 2]" 1
703 1 119 VAL HB 1 120 ARG HA . . 5.500 4.415 4.190 5.648 0.148 10 0 "[ . 1 . 2]" 1
704 1 119 VAL QG 1 120 ARG H . . 3.450 3.220 2.311 3.428 . 0 0 "[ . 1 . 2]" 1
705 1 119 VAL QG 1 120 ARG HA . . 4.310 3.671 3.146 3.861 . 0 0 "[ . 1 . 2]" 1
706 1 119 VAL QG 1 121 ALA H . . 5.440 4.611 4.229 4.737 . 0 0 "[ . 1 . 2]" 1
707 1 119 VAL QG 1 122 GLN HE21 . . 5.440 3.673 3.240 4.254 . 0 0 "[ . 1 . 2]" 1
708 1 119 VAL QG 1 122 GLN HE22 . . 5.340 3.287 2.817 3.625 . 0 0 "[ . 1 . 2]" 1
709 1 119 VAL QG 1 123 GLN H . . 4.760 4.206 3.625 4.764 0.004 2 0 "[ . 1 . 2]" 1
710 1 119 VAL QG 1 123 GLN QG . . 4.850 3.540 2.164 4.740 . 0 0 "[ . 1 . 2]" 1
711 1 119 VAL MG1 1 120 ARG H . . 4.250 3.562 2.329 3.851 . 0 0 "[ . 1 . 2]" 1
712 1 119 VAL MG1 1 120 ARG HA . . 5.390 3.752 3.310 3.948 . 0 0 "[ . 1 . 2]" 1
713 1 119 VAL MG2 1 120 ARG H . . 4.250 3.773 3.712 3.943 . 0 0 "[ . 1 . 2]" 1
714 1 119 VAL MG2 1 120 ARG HA . . 5.390 5.295 3.829 5.462 0.072 12 0 "[ . 1 . 2]" 1
715 1 120 ARG H 1 120 ARG QB . . 3.850 2.452 2.321 2.634 . 0 0 "[ . 1 . 2]" 1
716 1 120 ARG H 1 120 ARG QD . . 4.120 3.779 3.546 3.967 . 0 0 "[ . 1 . 2]" 1
717 1 120 ARG H 1 120 ARG HG2 . . 3.940 3.597 3.196 3.816 . 0 0 "[ . 1 . 2]" 1
718 1 120 ARG H 1 120 ARG QG . . 3.400 2.351 2.063 2.546 . 0 0 "[ . 1 . 2]" 1
719 1 120 ARG H 1 120 ARG HG3 . . 3.940 2.383 2.088 2.588 . 0 0 "[ . 1 . 2]" 1
720 1 120 ARG H 1 121 ALA H . . 3.620 2.699 2.491 2.789 . 0 0 "[ . 1 . 2]" 1
721 1 120 ARG H 1 121 ALA MB . . 5.500 4.377 4.180 4.468 . 0 0 "[ . 1 . 2]" 1
722 1 120 ARG HA 1 120 ARG QD . . 4.660 4.019 3.918 4.264 . 0 0 "[ . 1 . 2]" 1
723 1 120 ARG HA 1 120 ARG HG2 . . 3.710 2.570 2.476 2.685 . 0 0 "[ . 1 . 2]" 1
724 1 120 ARG HA 1 120 ARG HG3 . . 3.710 2.999 2.768 3.290 . 0 0 "[ . 1 . 2]" 1
725 1 120 ARG HA 1 122 GLN H . . 4.800 4.431 4.180 4.643 . 0 0 "[ . 1 . 2]" 1
726 1 120 ARG HA 1 123 GLN H . . 5.390 3.416 3.160 3.621 . 0 0 "[ . 1 . 2]" 1
727 1 120 ARG HA 1 123 GLN QB . . 3.860 2.874 2.354 3.904 0.044 14 0 "[ . 1 . 2]" 1
728 1 120 ARG QB 1 121 ALA H . . 3.800 2.859 2.733 2.953 . 0 0 "[ . 1 . 2]" 1
729 1 120 ARG QB 1 126 TRP HH2 . . 4.440 2.619 2.298 3.677 . 0 0 "[ . 1 . 2]" 1
730 1 120 ARG QB 1 126 TRP HZ2 . . 5.500 3.554 2.672 4.648 . 0 0 "[ . 1 . 2]" 1
731 1 120 ARG QD 1 121 ALA H . . 4.940 4.927 4.790 4.994 0.054 7 0 "[ . 1 . 2]" 1
732 1 120 ARG QD 1 126 TRP HH2 . . 5.500 3.259 2.601 4.105 . 0 0 "[ . 1 . 2]" 1
733 1 121 ALA H 1 121 ALA MB . . 3.340 2.241 2.189 2.280 . 0 0 "[ . 1 . 2]" 1
734 1 121 ALA H 1 122 GLN H . . 3.850 2.710 2.609 2.803 . 0 0 "[ . 1 . 2]" 1
735 1 121 ALA H 1 122 GLN HG2 . . 4.030 4.066 4.040 4.092 0.062 7 0 "[ . 1 . 2]" 1
736 1 121 ALA HA 1 126 TRP HZ2 . . 4.390 3.366 2.369 4.346 . 0 0 "[ . 1 . 2]" 1
737 1 121 ALA MB 1 122 GLN H . . 3.340 2.614 2.494 2.823 . 0 0 "[ . 1 . 2]" 1
738 1 121 ALA MB 1 122 GLN HA . . 3.960 3.987 3.955 4.041 0.081 20 0 "[ . 1 . 2]" 1
739 1 121 ALA MB 1 122 GLN HG2 . . 4.690 4.019 3.790 4.293 . 0 0 "[ . 1 . 2]" 1
740 1 121 ALA MB 1 123 GLN H . . 4.800 4.591 4.408 4.772 . 0 0 "[ . 1 . 2]" 1
741 1 122 GLN H 1 122 GLN HB2 . . 3.830 3.651 3.608 3.709 . 0 0 "[ . 1 . 2]" 1
742 1 122 GLN H 1 122 GLN QB . . 3.300 2.648 2.513 2.795 . 0 0 "[ . 1 . 2]" 1
743 1 122 GLN H 1 122 GLN HB3 . . 3.830 2.719 2.564 2.906 . 0 0 "[ . 1 . 2]" 1
744 1 122 GLN H 1 122 GLN HE22 . . 5.500 3.878 3.490 4.322 . 0 0 "[ . 1 . 2]" 1
745 1 122 GLN H 1 122 GLN HG2 . . 4.390 2.036 1.970 2.123 . 0 0 "[ . 1 . 2]" 1
746 1 122 GLN H 1 122 GLN HG3 . . 4.530 3.131 2.449 3.295 . 0 0 "[ . 1 . 2]" 1
747 1 122 GLN H 1 123 GLN H . . 4.800 2.589 2.474 2.718 . 0 0 "[ . 1 . 2]" 1
748 1 122 GLN HA 1 122 GLN HG2 . . 4.050 3.780 3.738 3.814 . 0 0 "[ . 1 . 2]" 1
749 1 122 GLN HA 1 122 GLN HG3 . . 3.830 3.788 3.689 3.839 0.009 10 0 "[ . 1 . 2]" 1
750 1 122 GLN QB 1 122 GLN HE22 . . 4.210 3.298 2.943 3.687 . 0 0 "[ . 1 . 2]" 1
751 1 122 GLN QB 1 123 GLN H . . 3.900 3.676 3.480 3.868 . 0 0 "[ . 1 . 2]" 1
752 1 122 GLN HB2 1 122 GLN HE22 . . 4.780 4.268 4.034 4.441 . 0 0 "[ . 1 . 2]" 1
753 1 122 GLN HB2 1 123 GLN H . . 4.500 4.039 3.715 4.300 . 0 0 "[ . 1 . 2]" 1
754 1 122 GLN HB3 1 122 GLN HE22 . . 4.780 3.438 3.025 3.940 . 0 0 "[ . 1 . 2]" 1
755 1 122 GLN HB3 1 123 GLN H . . 4.500 4.235 4.072 4.400 . 0 0 "[ . 1 . 2]" 1
756 1 122 GLN HG3 1 123 GLN HA . . 4.210 3.860 3.568 4.228 0.018 19 0 "[ . 1 . 2]" 1
757 1 123 GLN H 1 123 GLN HG2 . . 5.280 3.837 2.465 4.728 . 0 0 "[ . 1 . 2]" 1
758 1 123 GLN H 1 123 GLN QG . . 4.460 3.406 2.414 4.155 . 0 0 "[ . 1 . 2]" 1
759 1 123 GLN H 1 123 GLN HG3 . . 5.280 4.089 2.865 4.606 . 0 0 "[ . 1 . 2]" 1
760 1 123 GLN H 1 124 GLN H . . 4.800 2.433 2.190 2.656 . 0 0 "[ . 1 . 2]" 1
761 1 123 GLN H 1 124 GLN QG . . 4.010 3.816 3.377 4.074 0.064 13 0 "[ . 1 . 2]" 1
762 1 123 GLN H 1 125 ASN H . . 5.400 4.693 3.944 5.161 . 0 0 "[ . 1 . 2]" 1
763 1 123 GLN HA 1 123 GLN QE . . 4.330 3.785 2.513 4.368 0.038 9 0 "[ . 1 . 2]" 1
764 1 123 GLN HA 1 124 GLN QG . . 4.590 4.221 3.849 4.584 . 0 0 "[ . 1 . 2]" 1
765 1 123 GLN QB 1 124 GLN H . . 4.050 2.825 2.497 3.670 . 0 0 "[ . 1 . 2]" 1
766 1 123 GLN QB 1 125 ASN H . . 5.290 3.230 2.737 3.921 . 0 0 "[ . 1 . 2]" 1
767 1 123 GLN HB2 1 124 GLN H . . 4.820 3.548 2.644 4.166 . 0 0 "[ . 1 . 2]" 1
768 1 123 GLN HB3 1 124 GLN H . . 4.820 3.256 2.530 4.076 . 0 0 "[ . 1 . 2]" 1
769 1 124 GLN H 1 124 GLN QB . . 3.500 3.345 3.259 3.455 . 0 0 "[ . 1 . 2]" 1
770 1 124 GLN H 1 124 GLN HG2 . . 3.660 3.249 2.393 3.671 0.011 14 0 "[ . 1 . 2]" 1
771 1 124 GLN H 1 124 GLN HG3 . . 3.660 2.825 2.507 3.715 0.055 16 0 "[ . 1 . 2]" 1
772 1 124 GLN H 1 125 ASN H . . 3.610 2.853 2.700 3.072 . 0 0 "[ . 1 . 2]" 1
773 1 124 GLN QB 1 124 GLN QE . . 3.430 3.250 2.400 3.536 0.106 15 0 "[ . 1 . 2]" 1
774 1 124 GLN QB 1 126 TRP HE1 . . 3.290 3.066 2.512 3.323 0.033 14 0 "[ . 1 . 2]" 1
775 1 124 GLN HB2 1 126 TRP HD1 . . 5.500 4.877 4.363 5.509 0.009 9 0 "[ . 1 . 2]" 1
776 1 124 GLN HB3 1 126 TRP HD1 . . 5.500 3.305 2.617 4.101 . 0 0 "[ . 1 . 2]" 1
777 1 124 GLN QG 1 126 TRP HE1 . . 3.480 3.118 2.427 3.508 0.028 13 0 "[ . 1 . 2]" 1
778 1 125 ASN QB 1 125 ASN QD . . 3.060 2.224 2.168 2.304 . 0 0 "[ . 1 . 2]" 1
779 1 126 TRP H 1 126 TRP QB . . 3.480 2.531 2.299 2.773 . 0 0 "[ . 1 . 2]" 1
780 1 126 TRP H 1 126 TRP HD1 . . 3.670 3.479 2.635 3.728 0.058 12 0 "[ . 1 . 2]" 1
781 1 126 TRP H 1 127 GLY H . . 3.360 2.437 1.951 2.759 . 0 0 "[ . 1 . 2]" 1
782 1 126 TRP QB 1 127 GLY H . . 3.520 3.307 2.681 3.566 0.046 3 0 "[ . 1 . 2]" 1
783 1 126 TRP HB2 1 127 GLY H . . 4.200 3.466 2.743 3.845 . 0 0 "[ . 1 . 2]" 1
784 1 126 TRP HB3 1 127 GLY H . . 4.200 4.220 3.778 4.299 0.099 10 0 "[ . 1 . 2]" 1
785 1 127 GLY H 1 128 THR H . . 3.360 2.690 2.397 3.394 0.034 3 0 "[ . 1 . 2]" 1
786 1 128 THR H 1 128 THR MG . . 3.440 2.765 2.354 3.360 . 0 0 "[ . 1 . 2]" 1
787 1 128 THR HA 1 128 THR MG . . 3.620 2.546 2.279 3.276 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:34:24 PM GMT (wattos1)