NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
522998 |
2l8d   |
17402 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8d
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 813
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 198.361
_Distance_constraint_stats_list.Viol_max 0.288
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_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 5 MET 0.000 0.000 . 0 "[ . 1]"
1 6 PRO 0.000 0.000 . 0 "[ . 1]"
1 7 ASN 0.025 0.016 3 0 "[ . 1]"
1 8 ARG 1.017 0.106 8 0 "[ . 1]"
1 9 LYS 0.362 0.130 3 0 "[ . 1]"
1 10 TYR 0.961 0.130 3 0 "[ . 1]"
1 11 ALA 0.207 0.037 2 0 "[ . 1]"
1 12 ASP 0.049 0.026 1 0 "[ . 1]"
1 13 GLY 0.269 0.072 7 0 "[ . 1]"
1 14 GLU 1.927 0.201 7 0 "[ . 1]"
1 15 VAL 0.284 0.057 2 0 "[ . 1]"
1 16 VAL 0.080 0.047 9 0 "[ . 1]"
1 17 MET 0.340 0.097 4 0 "[ . 1]"
1 18 GLY 2.879 0.156 1 0 "[ . 1]"
1 19 ARG 0.309 0.055 6 0 "[ . 1]"
1 20 TRP 0.957 0.081 3 0 "[ . 1]"
1 21 PRO 0.524 0.104 8 0 "[ . 1]"
1 22 GLY 0.000 0.000 . 0 "[ . 1]"
1 23 SER 0.073 0.057 3 0 "[ . 1]"
1 24 VAL 0.384 0.088 9 0 "[ . 1]"
1 25 LEU 3.244 0.288 3 0 "[ . 1]"
1 26 TYR 0.957 0.096 10 0 "[ . 1]"
1 27 TYR 0.514 0.111 8 0 "[ . 1]"
1 28 GLU 0.750 0.116 2 0 "[ . 1]"
1 29 VAL 0.073 0.035 4 0 "[ . 1]"
1 30 GLN 0.332 0.057 2 0 "[ . 1]"
1 31 VAL 1.978 0.201 7 0 "[ . 1]"
1 32 THR 0.694 0.125 1 0 "[ . 1]"
1 33 SER 0.086 0.031 3 0 "[ . 1]"
1 34 TYR 0.509 0.083 4 0 "[ . 1]"
1 35 ASP 0.426 0.065 7 0 "[ . 1]"
1 36 ASP 0.062 0.050 2 0 "[ . 1]"
1 37 ALA 0.062 0.050 2 0 "[ . 1]"
1 38 SER 0.405 0.065 7 0 "[ . 1]"
1 39 HIS 0.071 0.040 5 0 "[ . 1]"
1 40 LEU 0.204 0.060 4 0 "[ . 1]"
1 41 TYR 1.056 0.119 10 0 "[ . 1]"
1 42 THR 0.000 0.000 . 0 "[ . 1]"
1 43 VAL 0.049 0.021 3 0 "[ . 1]"
1 44 LYS 0.682 0.122 2 0 "[ . 1]"
1 45 TYR 1.965 0.139 3 0 "[ . 1]"
1 46 LYS 0.711 0.139 3 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 GLY 0.000 0.000 . 0 "[ . 1]"
1 49 THR 0.137 0.039 9 0 "[ . 1]"
1 50 GLU 0.314 0.053 9 0 "[ . 1]"
1 51 LEU 0.375 0.039 9 0 "[ . 1]"
1 52 ALA 0.517 0.103 9 0 "[ . 1]"
1 53 LEU 5.144 0.157 5 0 "[ . 1]"
1 54 LYS 1.030 0.112 10 0 "[ . 1]"
1 55 GLU 0.145 0.060 4 0 "[ . 1]"
1 56 SER 0.105 0.082 8 0 "[ . 1]"
1 57 ASP 0.077 0.053 5 0 "[ . 1]"
1 58 ILE 1.433 0.157 5 0 "[ . 1]"
1 59 ARG 1.337 0.156 1 0 "[ . 1]"
1 60 LEU 0.142 0.077 9 0 "[ . 1]"
1 61 GLN 0.000 0.000 . 0 "[ . 1]"
1 64 PHE 0.000 0.000 . 0 "[ . 1]"
1 65 LYS 0.000 0.000 . 0 "[ . 1]"
1 66 GLN 0.000 0.000 . 0 "[ . 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 41 TYR QD 1 58 ILE MD . . 3.870 2.946 2.545 3.106 . 0 0 "[ . 1]" 1
2 1 41 TYR QE 1 58 ILE MD . . 4.510 3.873 3.607 4.155 . 0 0 "[ . 1]" 1
3 1 10 TYR QD 1 58 ILE MD . . 4.250 2.962 2.604 3.344 . 0 0 "[ . 1]" 1
4 1 10 TYR QE 1 58 ILE MD . . 4.320 3.611 3.074 4.273 . 0 0 "[ . 1]" 1
5 1 58 ILE HA 1 58 ILE MD . . 4.240 3.785 3.743 3.823 . 0 0 "[ . 1]" 1
6 1 41 TYR HB3 1 58 ILE MD . . 4.450 2.646 2.196 2.906 . 0 0 "[ . 1]" 1
7 1 58 ILE MD 1 58 ILE MG . . 3.550 1.848 1.802 1.926 . 0 0 "[ . 1]" 1
8 1 53 LEU MD2 1 58 ILE MD . . 3.320 3.444 3.377 3.477 0.157 5 0 "[ . 1]" 1
9 1 17 MET ME 1 26 TYR HB2 . . 4.130 3.125 2.425 4.144 0.014 4 0 "[ . 1]" 1
10 1 17 MET ME 1 28 GLU HA . . 3.910 3.659 3.110 3.935 0.025 9 0 "[ . 1]" 1
11 1 17 MET ME 1 26 TYR HB3 . . 4.130 2.445 2.031 3.590 . 0 0 "[ . 1]" 1
12 1 17 MET HA 1 17 MET ME . . 4.250 3.571 2.911 3.854 . 0 0 "[ . 1]" 1
13 1 17 MET ME 1 26 TYR QD . . 5.380 3.828 3.174 4.696 . 0 0 "[ . 1]" 1
14 1 17 MET ME 1 27 TYR QD . . 5.500 5.240 4.627 5.540 0.040 4 0 "[ . 1]" 1
15 1 16 VAL MG1 1 58 ILE MG . . 3.730 2.637 2.385 2.912 . 0 0 "[ . 1]" 1
16 1 53 LEU MD2 1 58 ILE MG . . 4.320 4.281 4.074 4.374 0.054 6 0 "[ . 1]" 1
17 1 16 VAL HB 1 58 ILE MG . . 3.690 2.229 1.973 2.562 . 0 0 "[ . 1]" 1
18 1 16 VAL HA 1 58 ILE MG . . 4.680 4.297 3.981 4.631 . 0 0 "[ . 1]" 1
19 1 58 ILE MG 1 59 ARG HA . . 4.870 3.318 3.182 3.554 . 0 0 "[ . 1]" 1
20 1 10 TYR QE 1 58 ILE MG . . 3.950 2.993 2.880 3.135 . 0 0 "[ . 1]" 1
21 1 10 TYR QD 1 58 ILE MG . . 4.320 3.191 2.997 3.369 . 0 0 "[ . 1]" 1
22 1 55 GLU HA 1 58 ILE MD . . 3.850 2.724 2.197 3.457 . 0 0 "[ . 1]" 1
23 1 29 VAL MG2 1 43 VAL MG1 . . 3.570 2.241 2.167 2.339 . 0 0 "[ . 1]" 1
24 1 29 VAL MG2 1 43 VAL MG2 . . 3.530 2.313 2.147 2.506 . 0 0 "[ . 1]" 1
25 1 29 VAL MG2 1 43 VAL HB . . 3.810 2.511 2.335 2.729 . 0 0 "[ . 1]" 1
26 1 18 GLY HA2 1 29 VAL MG2 . . 4.240 3.838 3.635 4.068 . 0 0 "[ . 1]" 1
27 1 28 GLU HA 1 29 VAL MG2 . . 4.890 3.540 3.266 3.642 . 0 0 "[ . 1]" 1
28 1 18 GLY HA3 1 29 VAL MG2 . . 5.290 2.736 2.534 2.986 . 0 0 "[ . 1]" 1
29 1 29 VAL MG2 1 30 GLN HA . . 5.480 3.573 3.321 3.804 . 0 0 "[ . 1]" 1
30 1 17 MET HA 1 29 VAL MG2 . . 4.330 2.932 2.811 3.154 . 0 0 "[ . 1]" 1
31 1 29 VAL MG2 1 45 TYR QD . . 5.380 4.996 4.702 5.193 . 0 0 "[ . 1]" 1
32 1 42 THR HA 1 52 ALA MB . . 4.090 2.997 2.747 3.191 . 0 0 "[ . 1]" 1
33 1 43 VAL MG2 1 45 TYR QE . . 4.390 2.705 2.474 2.904 . 0 0 "[ . 1]" 1
34 1 16 VAL MG2 1 58 ILE MG . . 3.500 2.138 1.972 2.342 . 0 0 "[ . 1]" 1
35 1 16 VAL MG2 1 29 VAL MG2 . . 3.220 1.949 1.848 2.013 . 0 0 "[ . 1]" 1
36 1 16 VAL MG2 1 31 VAL MG1 . . 3.320 3.246 3.098 3.367 0.047 9 0 "[ . 1]" 1
37 1 15 VAL HA 1 16 VAL MG2 . . 4.510 3.358 3.221 3.512 . 0 0 "[ . 1]" 1
38 1 16 VAL MG2 1 30 GLN HA . . 4.980 3.334 3.120 3.540 . 0 0 "[ . 1]" 1
39 1 16 VAL MG2 1 17 MET HA . . 4.860 3.861 3.721 4.027 . 0 0 "[ . 1]" 1
40 1 10 TYR HB2 1 16 VAL MG1 . . 5.060 4.089 3.766 4.544 . 0 0 "[ . 1]" 1
41 1 10 TYR HB3 1 16 VAL MG1 . . 5.060 2.832 2.349 3.365 . 0 0 "[ . 1]" 1
42 1 16 VAL HA 1 16 VAL MG1 . . 3.470 2.322 2.268 2.373 . 0 0 "[ . 1]" 1
43 1 10 TYR QE 1 16 VAL MG1 . . 4.440 3.289 2.566 3.945 . 0 0 "[ . 1]" 1
44 1 10 TYR QD 1 16 VAL MG1 . . 4.050 2.460 2.021 3.134 . 0 0 "[ . 1]" 1
45 1 31 VAL HA 1 43 VAL MG1 . . 3.330 1.953 1.872 2.036 . 0 0 "[ . 1]" 1
46 1 41 TYR HB2 1 43 VAL MG1 . . 4.420 3.438 3.147 3.934 . 0 0 "[ . 1]" 1
47 1 29 VAL HA 1 29 VAL MG1 . . 3.440 2.369 2.326 2.409 . 0 0 "[ . 1]" 1
48 1 29 VAL MG1 1 45 TYR QD . . 3.580 2.915 2.851 3.014 . 0 0 "[ . 1]" 1
49 1 29 VAL MG1 1 45 TYR QE . . 4.070 2.707 2.628 2.789 . 0 0 "[ . 1]" 1
50 1 10 TYR QD 1 31 VAL MG1 . . 4.700 4.605 4.152 4.776 0.076 7 0 "[ . 1]" 1
51 1 31 VAL MG1 1 41 TYR QE . . 4.960 4.647 4.132 4.970 0.010 1 0 "[ . 1]" 1
52 1 25 LEU HA 1 25 LEU MD1 . . 3.230 3.335 2.189 3.518 0.288 3 0 "[ . 1]" 1
53 1 12 ASP HA 1 31 VAL MG2 . . 3.490 2.685 2.464 3.006 . 0 0 "[ . 1]" 1
54 1 32 THR HA 1 32 THR MG . . 3.380 2.665 2.224 3.246 . 0 0 "[ . 1]" 1
55 1 20 TRP HH2 1 49 THR MG . . 4.170 3.149 2.395 3.756 . 0 0 "[ . 1]" 1
56 1 45 TYR QE 1 49 THR MG . . 5.500 4.955 4.430 5.519 0.019 9 0 "[ . 1]" 1
57 1 20 TRP HZ2 1 49 THR MG . . 5.240 4.428 3.602 5.067 . 0 0 "[ . 1]" 1
58 1 45 TYR QD 1 49 THR MG . . 4.680 3.956 3.464 4.494 . 0 0 "[ . 1]" 1
59 1 20 TRP HZ3 1 49 THR MG . . 5.010 4.484 3.818 5.046 0.036 1 0 "[ . 1]" 1
60 1 31 VAL MG2 1 41 TYR QD . . 3.690 2.103 1.864 2.280 . 0 0 "[ . 1]" 1
61 1 31 VAL MG2 1 41 TYR QE . . 4.420 3.508 2.925 3.963 . 0 0 "[ . 1]" 1
62 1 20 TRP HZ2 1 51 LEU MD1 . . 5.500 4.376 3.212 5.063 . 0 0 "[ . 1]" 1
63 1 45 TYR QE 1 51 LEU MD1 . . 5.500 3.931 3.442 4.187 . 0 0 "[ . 1]" 1
64 1 20 TRP HH2 1 51 LEU MD1 . . 5.370 4.479 3.521 5.026 . 0 0 "[ . 1]" 1
65 1 20 TRP HZ3 1 51 LEU MD1 . . 5.200 4.979 4.142 5.224 0.024 5 0 "[ . 1]" 1
66 1 21 PRO HD2 1 51 LEU MD1 . . 4.510 3.444 2.461 4.056 . 0 0 "[ . 1]" 1
67 1 21 PRO HD3 1 51 LEU MD1 . . 4.510 3.841 3.158 4.482 . 0 0 "[ . 1]" 1
68 1 21 PRO HG2 1 51 LEU MD1 . . 4.670 3.098 2.655 3.628 . 0 0 "[ . 1]" 1
69 1 21 PRO HG3 1 51 LEU MD1 . . 4.670 2.716 2.218 3.629 . 0 0 "[ . 1]" 1
70 1 45 TYR QE 1 51 LEU MD2 . . 5.500 2.156 1.917 2.345 . 0 0 "[ . 1]" 1
71 1 20 TRP HZ3 1 51 LEU MD2 . . 5.200 3.842 3.266 4.395 . 0 0 "[ . 1]" 1
72 1 21 PRO HD2 1 51 LEU MD2 . . 4.510 2.143 1.927 2.340 . 0 0 "[ . 1]" 1
73 1 21 PRO HD3 1 51 LEU MD2 . . 4.510 2.195 1.951 2.607 . 0 0 "[ . 1]" 1
74 1 21 PRO HG2 1 51 LEU MD2 . . 4.670 3.107 2.182 3.585 . 0 0 "[ . 1]" 1
75 1 21 PRO HG3 1 51 LEU MD2 . . 4.670 2.580 2.194 3.239 . 0 0 "[ . 1]" 1
76 1 9 LYS HG3 1 10 TYR QE . . 5.270 4.131 2.980 5.316 0.046 9 0 "[ . 1]" 1
77 1 8 ARG HG2 1 41 TYR QE . . 5.500 3.738 3.076 4.255 . 0 0 "[ . 1]" 1
78 1 8 ARG HG3 1 41 TYR QE . . 5.500 4.169 2.189 5.529 0.029 4 0 "[ . 1]" 1
79 1 8 ARG HG2 1 34 TYR QD . . 5.500 3.834 2.245 5.497 . 0 0 "[ . 1]" 1
80 1 8 ARG HG3 1 34 TYR QD . . 5.500 4.016 3.185 5.583 0.083 4 0 "[ . 1]" 1
81 1 53 LEU MD1 1 54 LYS HA . . 4.280 4.082 3.972 4.237 . 0 0 "[ . 1]" 1
82 1 19 ARG HG2 1 26 TYR QE . . 4.910 4.903 4.752 4.965 0.055 6 0 "[ . 1]" 1
83 1 53 LEU MD1 1 58 ILE HA . . 5.030 4.120 4.078 4.146 . 0 0 "[ . 1]" 1
84 1 18 GLY HA2 1 53 LEU MD1 . . 4.140 4.261 4.229 4.289 0.149 6 0 "[ . 1]" 1
85 1 10 TYR QE 1 60 LEU HG . . 4.260 2.782 2.057 3.559 . 0 0 "[ . 1]" 1
86 1 58 ILE HA 1 58 ILE HG12 . . 4.090 2.473 2.382 2.569 . 0 0 "[ . 1]" 1
87 1 9 LYS HD2 1 10 TYR QE . . 5.500 3.870 2.470 4.906 . 0 0 "[ . 1]" 1
88 1 9 LYS HD3 1 10 TYR QE . . 5.500 3.897 2.648 5.534 0.034 2 0 "[ . 1]" 1
89 1 9 LYS HD2 1 10 TYR QD . . 5.500 4.590 2.801 5.501 0.001 7 0 "[ . 1]" 1
90 1 9 LYS HD3 1 10 TYR QD . . 5.500 4.459 2.749 5.630 0.130 3 0 "[ . 1]" 1
91 1 9 LYS HA 1 9 LYS HD2 . . 5.440 4.073 2.164 4.686 . 0 0 "[ . 1]" 1
92 1 9 LYS HA 1 9 LYS HD3 . . 5.440 3.766 2.089 4.920 . 0 0 "[ . 1]" 1
93 1 20 TRP HB3 1 27 TYR QE . . 4.160 3.156 2.204 4.164 0.004 4 0 "[ . 1]" 1
94 1 41 TYR QD 1 55 GLU HB2 . . 5.030 4.168 2.741 4.989 . 0 0 "[ . 1]" 1
95 1 14 GLU HB3 1 16 VAL MG1 . . 4.080 3.080 2.725 3.549 . 0 0 "[ . 1]" 1
96 1 11 ALA MB 1 14 GLU HB2 . . 4.880 3.205 2.085 3.872 . 0 0 "[ . 1]" 1
97 1 11 ALA MB 1 14 GLU HB3 . . 5.330 4.022 2.751 4.607 . 0 0 "[ . 1]" 1
98 1 9 LYS HB2 1 10 TYR QE . . 5.170 4.750 4.499 5.119 . 0 0 "[ . 1]" 1
99 1 9 LYS HB2 1 10 TYR QD . . 4.940 4.697 4.212 5.002 0.062 2 0 "[ . 1]" 1
100 1 9 LYS HB3 1 10 TYR QE . . 5.170 3.498 3.112 3.944 . 0 0 "[ . 1]" 1
101 1 44 LYS HA 1 50 GLU HG3 . . 5.120 3.911 2.503 5.142 0.022 6 0 "[ . 1]" 1
102 1 44 LYS HA 1 50 GLU HG2 . . 5.120 4.258 2.145 5.126 0.006 3 0 "[ . 1]" 1
103 1 29 VAL HB 1 45 TYR QD . . 5.500 4.531 4.266 4.666 . 0 0 "[ . 1]" 1
104 1 10 TYR QE 1 58 ILE HB . . 3.950 2.663 2.281 3.522 . 0 0 "[ . 1]" 1
105 1 58 ILE HB 1 58 ILE MD . . 3.720 2.475 2.435 2.507 . 0 0 "[ . 1]" 1
106 1 20 TRP HH2 1 45 TYR HB2 . . 5.500 5.064 4.632 5.357 . 0 0 "[ . 1]" 1
107 1 20 TRP HH2 1 45 TYR HB3 . . 5.500 5.537 5.420 5.581 0.081 3 0 "[ . 1]" 1
108 1 20 TRP HZ3 1 45 TYR HB2 . . 5.500 4.143 3.308 4.603 . 0 0 "[ . 1]" 1
109 1 20 TRP HZ3 1 45 TYR HB3 . . 5.500 4.179 3.910 4.389 . 0 0 "[ . 1]" 1
110 1 10 TYR HB2 1 41 TYR QE . . 4.830 2.435 2.180 2.727 . 0 0 "[ . 1]" 1
111 1 10 TYR HB3 1 41 TYR QE . . 4.830 3.932 3.617 4.208 . 0 0 "[ . 1]" 1
112 1 27 TYR HB2 1 45 TYR QE . . 4.340 1.934 1.837 2.029 . 0 0 "[ . 1]" 1
113 1 27 TYR HB3 1 45 TYR QE . . 4.340 2.691 2.287 3.308 . 0 0 "[ . 1]" 1
114 1 27 TYR HB3 1 45 TYR QD . . 5.080 3.413 2.874 3.908 . 0 0 "[ . 1]" 1
115 1 27 TYR HB2 1 45 TYR QD . . 5.080 3.752 3.193 4.068 . 0 0 "[ . 1]" 1
116 1 18 GLY HA3 1 26 TYR QD . . 4.840 4.431 4.198 4.754 . 0 0 "[ . 1]" 1
117 1 18 GLY HA3 1 26 TYR QE . . 5.250 5.249 4.984 5.299 0.049 6 0 "[ . 1]" 1
118 1 19 ARG HD3 1 26 TYR QE . . 4.890 3.835 2.621 4.827 . 0 0 "[ . 1]" 1
119 1 19 ARG HD2 1 26 TYR QE . . 4.890 3.930 3.114 4.918 0.028 1 0 "[ . 1]" 1
120 1 8 ARG HD2 1 34 TYR QD . . 5.500 4.001 3.197 5.036 . 0 0 "[ . 1]" 1
121 1 8 ARG HD3 1 34 TYR QD . . 5.500 3.884 2.194 5.492 . 0 0 "[ . 1]" 1
122 1 45 TYR QE 1 51 LEU HB3 . . 4.810 2.143 1.936 2.646 . 0 0 "[ . 1]" 1
123 1 50 GLU HA 1 51 LEU HB3 . . 5.500 4.313 4.164 4.421 . 0 0 "[ . 1]" 1
124 1 51 LEU HB3 1 52 ALA HA . . 5.500 4.500 4.395 4.585 . 0 0 "[ . 1]" 1
125 1 43 VAL MG2 1 51 LEU HB3 . . 3.740 2.438 2.186 2.736 . 0 0 "[ . 1]" 1
126 1 53 LEU HB2 1 58 ILE MD . . 4.950 4.544 4.157 4.961 0.011 4 0 "[ . 1]" 1
127 1 53 LEU HB2 1 57 ASP HB3 . . 4.750 2.995 2.475 3.367 . 0 0 "[ . 1]" 1
128 1 42 THR HA 1 52 ALA HA . . 3.420 2.013 1.879 2.118 . 0 0 "[ . 1]" 1
129 1 20 TRP HE3 1 21 PRO HD3 . . 5.500 5.401 5.000 5.558 0.058 9 0 "[ . 1]" 1
130 1 20 TRP HD1 1 21 PRO HD3 . . 5.370 5.060 4.752 5.359 . 0 0 "[ . 1]" 1
131 1 20 TRP HE3 1 21 PRO HD2 . . 5.500 4.256 3.911 4.467 . 0 0 "[ . 1]" 1
132 1 20 TRP HD1 1 21 PRO HD2 . . 5.370 3.700 3.308 4.051 . 0 0 "[ . 1]" 1
133 1 17 MET HA 1 28 GLU HA . . 3.810 2.281 2.071 2.528 . 0 0 "[ . 1]" 1
134 1 53 LEU HA 1 53 LEU MD1 . . 4.180 3.537 3.505 3.556 . 0 0 "[ . 1]" 1
135 1 5 MET HA 1 6 PRO HD3 . . 3.610 2.283 1.958 3.039 . 0 0 "[ . 1]" 1
136 1 5 MET HA 1 6 PRO HD2 . . 3.610 2.459 2.068 2.912 . 0 0 "[ . 1]" 1
137 1 16 VAL MG1 1 60 LEU HA . . 5.250 2.927 2.293 4.195 . 0 0 "[ . 1]" 1
138 1 19 ARG HA 1 19 ARG HG2 . . 4.140 3.051 2.940 3.214 . 0 0 "[ . 1]" 1
139 1 19 ARG HA 1 19 ARG HG3 . . 4.140 2.678 2.560 2.809 . 0 0 "[ . 1]" 1
140 1 60 LEU HA 1 60 LEU HG . . 3.900 3.006 2.414 3.283 . 0 0 "[ . 1]" 1
141 1 20 TRP HA 1 21 PRO HD3 . . 3.610 2.463 2.265 2.610 . 0 0 "[ . 1]" 1
142 1 20 TRP HA 1 21 PRO HD2 . . 3.610 2.019 1.969 2.132 . 0 0 "[ . 1]" 1
143 1 34 TYR QD 1 36 ASP HA . . 5.300 4.026 3.624 4.341 . 0 0 "[ . 1]" 1
144 1 34 TYR QD 1 39 HIS HA . . 5.500 4.243 3.989 4.568 . 0 0 "[ . 1]" 1
145 1 34 TYR QE 1 36 ASP HA . . 3.800 2.908 2.482 3.406 . 0 0 "[ . 1]" 1
146 1 34 TYR QE 1 39 HIS HA . . 3.930 2.521 2.114 3.127 . 0 0 "[ . 1]" 1
147 1 19 ARG HA 1 26 TYR QD . . 4.590 3.496 3.311 3.617 . 0 0 "[ . 1]" 1
148 1 20 TRP HA 1 20 TRP HE3 . . 4.380 3.393 3.200 3.613 . 0 0 "[ . 1]" 1
149 1 45 TYR HA 1 45 TYR QD . . 3.490 3.025 2.960 3.087 . 0 0 "[ . 1]" 1
150 1 26 TYR HA 1 26 TYR QD . . 4.200 3.083 2.974 3.176 . 0 0 "[ . 1]" 1
151 1 27 TYR HA 1 27 TYR QD . . 4.330 2.972 2.737 3.145 . 0 0 "[ . 1]" 1
152 1 43 VAL HA 1 43 VAL MG1 . . 3.340 2.425 2.384 2.493 . 0 0 "[ . 1]" 1
153 1 31 VAL HA 1 43 VAL HA . . 3.530 2.174 2.020 2.346 . 0 0 "[ . 1]" 1
154 1 41 TYR HA 1 41 TYR QD . . 4.190 3.099 2.828 3.207 . 0 0 "[ . 1]" 1
155 1 29 VAL HA 1 45 TYR QD . . 5.190 4.638 4.383 4.986 . 0 0 "[ . 1]" 1
156 1 64 PHE HA 1 64 PHE QD . . 4.220 3.034 2.535 3.779 . 0 0 "[ . 1]" 1
157 1 58 ILE HA 1 58 ILE HG13 . . 4.090 3.077 2.981 3.131 . 0 0 "[ . 1]" 1
158 1 26 TYR QE 1 58 ILE HA . . 5.500 3.570 2.969 4.206 . 0 0 "[ . 1]" 1
159 1 18 GLY HA3 1 58 ILE HA . . 3.990 3.489 3.368 3.575 . 0 0 "[ . 1]" 1
160 1 41 TYR QE 1 55 GLU HA . . 3.940 3.459 3.054 3.720 . 0 0 "[ . 1]" 1
161 1 10 TYR QE 1 55 GLU HA . . 4.590 3.326 2.455 4.238 . 0 0 "[ . 1]" 1
162 1 31 VAL HA 1 31 VAL MG2 . . 3.670 2.408 2.353 2.454 . 0 0 "[ . 1]" 1
163 1 45 TYR QD 1 49 THR HB . . 4.510 3.741 3.047 4.521 0.011 9 0 "[ . 1]" 1
164 1 20 TRP HH2 1 49 THR HB . . 4.800 3.848 2.761 4.565 . 0 0 "[ . 1]" 1
165 1 34 TYR HA 1 41 TYR HA . . 3.530 2.255 2.110 2.440 . 0 0 "[ . 1]" 1
166 1 9 LYS HA 1 9 LYS HG2 . . 4.190 3.232 2.574 3.895 . 0 0 "[ . 1]" 1
167 1 15 VAL HA 1 15 VAL MG1 . . 3.620 3.239 3.215 3.261 . 0 0 "[ . 1]" 1
168 1 49 THR HA 1 49 THR MG . . 3.410 2.326 2.283 2.414 . 0 0 "[ . 1]" 1
169 1 31 VAL HA 1 31 VAL MG1 . . 3.590 3.211 3.181 3.226 . 0 0 "[ . 1]" 1
170 1 19 ARG HA 1 26 TYR HA . . 3.450 2.124 1.841 2.289 . 0 0 "[ . 1]" 1
171 1 9 LYS HA 1 9 LYS HG3 . . 4.190 3.005 2.588 3.796 . 0 0 "[ . 1]" 1
172 1 15 VAL HA 1 30 GLN HA . . 3.350 2.025 1.916 2.122 . 0 0 "[ . 1]" 1
173 1 55 GLU HA 1 58 ILE HB . . 4.380 3.018 2.787 3.494 . 0 0 "[ . 1]" 1
174 1 10 TYR QE 1 60 LEU HB2 . . 5.500 4.932 4.422 5.504 0.004 9 0 "[ . 1]" 1
175 1 10 TYR QE 1 60 LEU HB3 . . 5.500 4.910 4.369 5.517 0.017 3 0 "[ . 1]" 1
176 1 25 LEU HB2 1 27 TYR QD . . 5.470 3.943 3.341 4.567 . 0 0 "[ . 1]" 1
177 1 34 TYR HA 1 34 TYR QD . . 4.070 2.575 2.331 2.792 . 0 0 "[ . 1]" 1
178 1 8 ARG HA 1 8 ARG HE . . 5.500 4.633 3.599 5.232 . 0 0 "[ . 1]" 1
179 1 19 ARG HA 1 26 TYR QE . . 5.500 4.164 3.854 4.373 . 0 0 "[ . 1]" 1
180 1 19 ARG HB2 1 57 ASP HA . . 5.500 3.636 3.091 4.498 . 0 0 "[ . 1]" 1
181 1 19 ARG HB2 1 26 TYR HA . . 5.500 4.012 3.635 4.348 . 0 0 "[ . 1]" 1
182 1 19 ARG HB3 1 26 TYR HA . . 5.500 5.010 4.694 5.267 . 0 0 "[ . 1]" 1
183 1 19 ARG HB3 1 57 ASP HA . . 5.500 3.108 2.567 4.212 . 0 0 "[ . 1]" 1
184 1 18 GLY HA2 1 58 ILE HA . . 4.670 2.134 2.000 2.303 . 0 0 "[ . 1]" 1
185 1 26 TYR QD 1 58 ILE HA . . 5.500 4.163 3.524 4.676 . 0 0 "[ . 1]" 1
186 1 18 GLY HA3 1 58 ILE MG . . 5.300 3.839 3.445 4.274 . 0 0 "[ . 1]" 1
187 1 19 ARG HG3 1 26 TYR QE . . 4.910 3.559 3.314 3.742 . 0 0 "[ . 1]" 1
188 1 45 TYR QE 1 51 LEU HG . . 4.720 4.017 3.879 4.272 . 0 0 "[ . 1]" 1
189 1 25 LEU MD2 1 27 TYR QE . . 4.520 4.359 2.625 4.631 0.111 8 0 "[ . 1]" 1
190 1 32 THR MG 1 43 VAL HA . . 4.530 3.600 2.533 4.461 . 0 0 "[ . 1]" 1
191 1 18 GLY HA3 1 53 LEU MD2 . . 4.110 2.473 2.132 2.786 . 0 0 "[ . 1]" 1
192 1 17 MET HB3 1 26 TYR QD . . 5.050 3.107 2.218 3.971 . 0 0 "[ . 1]" 1
193 1 17 MET HB2 1 26 TYR QD . . 5.050 3.641 3.064 4.875 . 0 0 "[ . 1]" 1
194 1 19 ARG HB3 1 26 TYR QE . . 5.020 3.967 3.759 4.243 . 0 0 "[ . 1]" 1
195 1 19 ARG HB2 1 26 TYR QE . . 5.020 2.812 2.520 2.973 . 0 0 "[ . 1]" 1
196 1 50 GLU HA 1 51 LEU MD1 . . 5.500 5.482 5.353 5.538 0.038 4 0 "[ . 1]" 1
197 1 20 TRP HH2 1 51 LEU MD2 . . 5.370 4.401 3.807 5.072 . 0 0 "[ . 1]" 1
198 1 52 ALA MB 1 53 LEU HG . . 5.430 4.742 4.646 4.789 . 0 0 "[ . 1]" 1
199 1 53 LEU HB2 1 57 ASP HB2 . . 4.750 2.332 1.952 3.497 . 0 0 "[ . 1]" 1
200 1 53 LEU MD1 1 58 ILE MD . . 4.350 1.890 1.817 1.985 . 0 0 "[ . 1]" 1
201 1 15 VAL MG1 1 30 GLN HG2 . . 5.500 5.057 4.198 5.557 0.057 2 0 "[ . 1]" 1
202 1 15 VAL MG1 1 30 GLN HG3 . . 5.500 4.699 4.056 5.532 0.032 8 0 "[ . 1]" 1
203 1 10 TYR QD 1 55 GLU HA . . 5.100 3.745 3.083 4.404 . 0 0 "[ . 1]" 1
204 1 41 TYR HB2 1 58 ILE MD . . 4.450 2.185 1.982 2.638 . 0 0 "[ . 1]" 1
205 1 18 GLY HA3 1 58 ILE MD . . 5.500 4.490 4.298 4.795 . 0 0 "[ . 1]" 1
206 1 55 GLU HA 1 58 ILE MG . . 5.120 4.353 4.111 4.876 . 0 0 "[ . 1]" 1
207 1 26 TYR QE 1 59 ARG HB2 . . 5.500 3.407 2.562 4.312 . 0 0 "[ . 1]" 1
208 1 26 TYR QE 1 59 ARG HB3 . . 5.500 4.568 3.047 5.465 . 0 0 "[ . 1]" 1
209 1 31 VAL HA 1 43 VAL HB . . 4.770 3.231 3.003 3.340 . 0 0 "[ . 1]" 1
210 1 10 TYR HB3 1 31 VAL MG1 . . 4.360 3.077 2.526 3.417 . 0 0 "[ . 1]" 1
211 1 10 TYR HB2 1 31 VAL MG1 . . 4.360 3.814 3.503 4.208 . 0 0 "[ . 1]" 1
212 1 42 THR HA 1 42 THR MG . . 3.390 2.312 2.258 2.355 . 0 0 "[ . 1]" 1
213 1 42 THR MG 1 52 ALA HA . . 4.160 3.327 3.021 3.484 . 0 0 "[ . 1]" 1
214 1 42 THR MG 1 43 VAL HA . . 4.970 3.912 3.779 4.008 . 0 0 "[ . 1]" 1
215 1 41 TYR HB3 1 43 VAL MG1 . . 4.420 2.864 2.600 3.044 . 0 0 "[ . 1]" 1
216 1 29 VAL HA 1 43 VAL MG2 . . 5.060 4.689 4.334 5.036 . 0 0 "[ . 1]" 1
217 1 43 VAL MG2 1 45 TYR QD . . 5.200 3.178 2.869 3.495 . 0 0 "[ . 1]" 1
218 1 44 LYS HA 1 44 LYS HD2 . . 5.250 4.635 4.297 4.899 . 0 0 "[ . 1]" 1
219 1 44 LYS HA 1 44 LYS HD3 . . 5.250 4.738 4.223 4.967 . 0 0 "[ . 1]" 1
220 1 8 ARG HB2 1 34 TYR QE . . 5.310 4.509 3.096 5.368 0.058 6 0 "[ . 1]" 1
221 1 10 TYR QD 1 14 GLU HB3 . . 5.500 4.574 3.778 5.079 . 0 0 "[ . 1]" 1
222 1 8 ARG HB3 1 34 TYR QD . . 5.500 4.887 3.867 5.527 0.027 7 0 "[ . 1]" 1
223 1 8 ARG HB2 1 34 TYR QD . . 5.500 4.709 3.580 5.544 0.044 4 0 "[ . 1]" 1
224 1 20 TRP HZ3 1 29 VAL MG1 . . 5.500 4.816 4.679 4.896 . 0 0 "[ . 1]" 1
225 1 20 TRP HZ2 1 51 LEU MD2 . . 5.500 4.710 3.988 5.459 . 0 0 "[ . 1]" 1
226 1 9 LYS HG2 1 10 TYR QE . . 5.270 3.753 2.686 5.291 0.021 4 0 "[ . 1]" 1
227 1 25 LEU HB3 1 27 TYR QE . . 4.580 3.070 2.428 4.613 0.033 4 0 "[ . 1]" 1
228 1 25 LEU HA 1 25 LEU HG . . 4.190 3.336 3.169 3.757 . 0 0 "[ . 1]" 1
229 1 34 TYR HA 1 34 TYR QE . . 4.850 4.701 4.583 4.842 . 0 0 "[ . 1]" 1
230 1 34 TYR QE 1 41 TYR HA . . 5.150 4.669 4.468 5.011 . 0 0 "[ . 1]" 1
231 1 20 TRP HZ3 1 49 THR HB . . 5.500 4.418 3.332 5.094 . 0 0 "[ . 1]" 1
232 1 47 ASP H 1 49 THR HB . . 5.500 4.836 4.457 5.336 . 0 0 "[ . 1]" 1
233 1 40 LEU HA 1 41 TYR QD . . 4.860 3.437 2.973 4.324 . 0 0 "[ . 1]" 1
234 1 17 MET HA 1 26 TYR QD . . 5.500 4.593 3.959 4.870 . 0 0 "[ . 1]" 1
235 1 25 LEU HG 1 27 TYR QE . . 5.500 4.256 3.472 4.820 . 0 0 "[ . 1]" 1
236 1 8 ARG HG2 1 34 TYR QE . . 5.500 3.876 2.419 5.520 0.020 2 0 "[ . 1]" 1
237 1 8 ARG HG3 1 34 TYR QE . . 5.500 3.799 2.886 4.346 . 0 0 "[ . 1]" 1
238 1 29 VAL MG1 1 45 TYR HA . . 3.710 2.687 2.222 3.200 . 0 0 "[ . 1]" 1
239 1 45 TYR QD 1 46 LYS HB2 . . 5.500 5.190 4.595 5.539 0.039 6 0 "[ . 1]" 1
240 1 45 TYR QD 1 46 LYS HB3 . . 5.500 4.695 4.206 5.100 . 0 0 "[ . 1]" 1
241 1 44 LYS HA 1 50 GLU HB2 . . 5.230 4.085 3.012 4.888 . 0 0 "[ . 1]" 1
242 1 44 LYS HA 1 50 GLU HB3 . . 5.230 3.312 2.693 4.117 . 0 0 "[ . 1]" 1
243 1 42 THR HA 1 43 VAL MG1 . . 4.600 3.631 3.523 3.697 . 0 0 "[ . 1]" 1
244 1 42 THR HA 1 43 VAL MG2 . . 4.970 3.631 3.580 3.677 . 0 0 "[ . 1]" 1
245 1 19 ARG HA 1 20 TRP H . . 3.090 2.175 2.118 2.234 . 0 0 "[ . 1]" 1
246 1 20 TRP H 1 26 TYR HA . . 4.130 3.347 3.115 3.540 . 0 0 "[ . 1]" 1
247 1 20 TRP H 1 20 TRP HB3 . . 3.610 2.635 2.563 2.730 . 0 0 "[ . 1]" 1
248 1 20 TRP H 1 20 TRP HB2 . . 3.610 2.563 2.435 2.664 . 0 0 "[ . 1]" 1
249 1 19 ARG HG2 1 20 TRP H . . 4.280 2.757 2.475 3.197 . 0 0 "[ . 1]" 1
250 1 19 ARG HB3 1 20 TRP H . . 4.670 4.053 3.923 4.235 . 0 0 "[ . 1]" 1
251 1 19 ARG HG3 1 20 TRP H . . 4.280 3.118 2.932 3.296 . 0 0 "[ . 1]" 1
252 1 19 ARG HB2 1 20 TRP H . . 4.670 4.120 4.053 4.231 . 0 0 "[ . 1]" 1
253 1 11 ALA H 1 11 ALA MB . . 3.070 2.241 2.190 2.269 . 0 0 "[ . 1]" 1
254 1 10 TYR HB3 1 11 ALA H . . 4.430 3.499 2.437 4.140 . 0 0 "[ . 1]" 1
255 1 10 TYR HB2 1 11 ALA H . . 4.430 4.151 3.651 4.421 . 0 0 "[ . 1]" 1
256 1 11 ALA H 1 14 GLU HB2 . . 4.870 3.677 3.097 4.400 . 0 0 "[ . 1]" 1
257 1 11 ALA H 1 14 GLU HB3 . . 4.270 3.757 2.928 4.272 0.002 5 0 "[ . 1]" 1
258 1 10 TYR HA 1 11 ALA H . . 2.950 2.198 2.107 2.369 . 0 0 "[ . 1]" 1
259 1 34 TYR QD 1 35 ASP H . . 4.190 3.017 2.633 3.370 . 0 0 "[ . 1]" 1
260 1 35 ASP H 1 41 TYR HA . . 4.070 3.357 3.180 3.572 . 0 0 "[ . 1]" 1
261 1 34 TYR HA 1 35 ASP H . . 3.230 2.118 2.080 2.152 . 0 0 "[ . 1]" 1
262 1 35 ASP H 1 35 ASP HB2 . . 3.720 2.835 2.664 2.988 . 0 0 "[ . 1]" 1
263 1 35 ASP H 1 35 ASP HB3 . . 3.720 2.493 2.417 2.577 . 0 0 "[ . 1]" 1
264 1 45 TYR H 1 45 TYR QD . . 3.730 2.680 2.442 2.973 . 0 0 "[ . 1]" 1
265 1 44 LYS HA 1 45 TYR H . . 2.960 2.148 2.100 2.243 . 0 0 "[ . 1]" 1
266 1 45 TYR H 1 50 GLU HA . . 4.150 2.871 2.553 3.204 . 0 0 "[ . 1]" 1
267 1 45 TYR H 1 49 THR H . . 5.100 4.247 3.681 4.563 . 0 0 "[ . 1]" 1
268 1 29 VAL MG1 1 45 TYR H . . 5.500 4.420 4.150 4.760 . 0 0 "[ . 1]" 1
269 1 43 VAL MG2 1 45 TYR H . . 5.500 4.321 4.093 4.500 . 0 0 "[ . 1]" 1
270 1 44 LYS HG2 1 45 TYR H . . 4.490 2.993 2.837 3.326 . 0 0 "[ . 1]" 1
271 1 44 LYS HG3 1 45 TYR H . . 4.490 3.177 2.823 3.805 . 0 0 "[ . 1]" 1
272 1 44 LYS HB2 1 45 TYR H . . 4.510 4.189 4.120 4.326 . 0 0 "[ . 1]" 1
273 1 44 LYS HB3 1 45 TYR H . . 4.510 4.088 3.970 4.165 . 0 0 "[ . 1]" 1
274 1 30 GLN HA 1 31 VAL H . . 3.020 2.169 2.128 2.215 . 0 0 "[ . 1]" 1
275 1 15 VAL HA 1 31 VAL H . . 4.060 3.139 3.058 3.237 . 0 0 "[ . 1]" 1
276 1 31 VAL H 1 31 VAL HB . . 3.330 2.657 2.589 2.776 . 0 0 "[ . 1]" 1
277 1 31 VAL H 1 31 VAL MG2 . . 4.200 3.816 3.802 3.829 . 0 0 "[ . 1]" 1
278 1 31 VAL H 1 31 VAL MG1 . . 3.290 2.059 1.986 2.171 . 0 0 "[ . 1]" 1
279 1 18 GLY HA3 1 19 ARG H . . 3.350 2.934 2.858 3.045 . 0 0 "[ . 1]" 1
280 1 19 ARG H 1 26 TYR HA . . 5.500 4.259 3.779 4.527 . 0 0 "[ . 1]" 1
281 1 19 ARG H 1 57 ASP HA . . 5.500 3.820 3.412 4.604 . 0 0 "[ . 1]" 1
282 1 19 ARG H 1 58 ILE HA . . 5.500 3.386 3.088 3.703 . 0 0 "[ . 1]" 1
283 1 19 ARG H 1 19 ARG HB2 . . 3.690 2.638 2.506 2.716 . 0 0 "[ . 1]" 1
284 1 19 ARG H 1 19 ARG HB3 . . 3.690 2.417 2.292 2.541 . 0 0 "[ . 1]" 1
285 1 19 ARG H 1 53 LEU MD2 . . 5.330 2.902 2.679 3.127 . 0 0 "[ . 1]" 1
286 1 19 ARG H 1 26 TYR QD . . 4.280 3.528 3.247 4.010 . 0 0 "[ . 1]" 1
287 1 19 ARG H 1 26 TYR QE . . 4.290 3.387 3.231 3.625 . 0 0 "[ . 1]" 1
288 1 65 LYS HA 1 66 GLN H . . 3.260 2.179 2.017 2.427 . 0 0 "[ . 1]" 1
289 1 14 GLU HA 1 15 VAL H . . 2.800 2.266 2.221 2.402 . 0 0 "[ . 1]" 1
290 1 15 VAL H 1 15 VAL HB . . 3.210 2.917 2.773 3.004 . 0 0 "[ . 1]" 1
291 1 15 VAL H 1 15 VAL MG1 . . 3.430 2.000 1.929 2.107 . 0 0 "[ . 1]" 1
292 1 15 VAL H 1 15 VAL MG2 . . 4.010 3.833 3.816 3.855 . 0 0 "[ . 1]" 1
293 1 14 GLU HG2 1 15 VAL H . . 4.360 3.606 2.607 4.288 . 0 0 "[ . 1]" 1
294 1 14 GLU HG3 1 15 VAL H . . 4.360 2.709 2.417 2.963 . 0 0 "[ . 1]" 1
295 1 49 THR HA 1 50 GLU H . . 2.820 2.251 2.193 2.288 . 0 0 "[ . 1]" 1
296 1 49 THR HB 1 50 GLU H . . 4.260 4.131 4.005 4.262 0.002 10 0 "[ . 1]" 1
297 1 49 THR MG 1 50 GLU H . . 3.410 2.762 2.539 2.877 . 0 0 "[ . 1]" 1
298 1 50 GLU H 1 50 GLU HG3 . . 4.460 3.220 2.092 3.921 . 0 0 "[ . 1]" 1
299 1 50 GLU H 1 50 GLU HG2 . . 4.460 3.581 2.282 4.337 . 0 0 "[ . 1]" 1
300 1 17 MET H 1 59 ARG H . . 3.930 3.285 3.112 3.479 . 0 0 "[ . 1]" 1
301 1 58 ILE HA 1 59 ARG H . . 3.010 2.077 1.990 2.221 . 0 0 "[ . 1]" 1
302 1 18 GLY HA3 1 59 ARG H . . 4.370 4.504 4.462 4.526 0.156 1 0 "[ . 1]" 1
303 1 58 ILE MG 1 59 ARG H . . 3.360 2.390 2.171 2.512 . 0 0 "[ . 1]" 1
304 1 16 VAL HB 1 59 ARG H . . 4.930 3.756 3.516 4.107 . 0 0 "[ . 1]" 1
305 1 59 ARG H 1 59 ARG HB3 . . 4.180 3.583 2.629 3.865 . 0 0 "[ . 1]" 1
306 1 59 ARG H 1 59 ARG HB2 . . 4.180 2.781 2.551 3.147 . 0 0 "[ . 1]" 1
307 1 35 ASP HA 1 36 ASP H . . 2.860 2.108 2.053 2.185 . 0 0 "[ . 1]" 1
308 1 36 ASP H 1 36 ASP HB2 . . 3.740 3.165 2.409 3.712 . 0 0 "[ . 1]" 1
309 1 36 ASP H 1 36 ASP HB3 . . 3.740 2.755 2.375 3.646 . 0 0 "[ . 1]" 1
310 1 27 TYR HA 1 28 GLU H . . 3.070 2.385 2.263 2.568 . 0 0 "[ . 1]" 1
311 1 27 TYR HB3 1 28 GLU H . . 4.230 2.420 2.161 2.620 . 0 0 "[ . 1]" 1
312 1 27 TYR HB2 1 28 GLU H . . 4.230 3.586 3.200 3.833 . 0 0 "[ . 1]" 1
313 1 17 MET ME 1 28 GLU H . . 4.140 3.882 3.198 4.161 0.021 2 0 "[ . 1]" 1
314 1 41 TYR H 1 53 LEU H . . 4.000 2.881 2.619 3.044 . 0 0 "[ . 1]" 1
315 1 41 TYR H 1 41 TYR QD . . 3.570 2.648 2.324 3.220 . 0 0 "[ . 1]" 1
316 1 40 LEU H 1 41 TYR H . . 4.610 4.376 4.290 4.454 . 0 0 "[ . 1]" 1
317 1 40 LEU HA 1 41 TYR H . . 3.060 2.183 2.129 2.238 . 0 0 "[ . 1]" 1
318 1 41 TYR H 1 41 TYR HB3 . . 4.030 3.603 3.513 3.670 . 0 0 "[ . 1]" 1
319 1 41 TYR H 1 41 TYR HB2 . . 4.030 2.395 2.292 2.486 . 0 0 "[ . 1]" 1
320 1 40 LEU HB2 1 41 TYR H . . 4.540 4.276 3.936 4.469 . 0 0 "[ . 1]" 1
321 1 41 TYR H 1 53 LEU HG . . 5.000 5.087 5.061 5.119 0.119 10 0 "[ . 1]" 1
322 1 40 LEU HB3 1 41 TYR H . . 4.540 3.198 2.692 3.533 . 0 0 "[ . 1]" 1
323 1 40 LEU MD1 1 41 TYR H . . 4.720 3.309 3.010 4.018 . 0 0 "[ . 1]" 1
324 1 51 LEU HA 1 52 ALA H . . 2.900 2.334 2.291 2.419 . 0 0 "[ . 1]" 1
325 1 52 ALA H 1 52 ALA MB . . 3.480 2.389 2.363 2.425 . 0 0 "[ . 1]" 1
326 1 51 LEU MD1 1 52 ALA H . . 5.010 2.517 2.332 2.734 . 0 0 "[ . 1]" 1
327 1 51 LEU MD2 1 52 ALA H . . 5.010 4.141 3.906 4.300 . 0 0 "[ . 1]" 1
328 1 45 TYR QD 1 46 LYS H . . 3.800 3.317 2.844 3.566 . 0 0 "[ . 1]" 1
329 1 45 TYR HA 1 46 LYS H . . 3.400 2.287 2.174 2.363 . 0 0 "[ . 1]" 1
330 1 46 LYS H 1 46 LYS HD2 . . 5.500 4.746 4.567 4.878 . 0 0 "[ . 1]" 1
331 1 46 LYS H 1 46 LYS HD3 . . 5.500 4.744 4.230 5.021 . 0 0 "[ . 1]" 1
332 1 46 LYS H 1 46 LYS HG3 . . 4.630 4.380 4.276 4.474 . 0 0 "[ . 1]" 1
333 1 46 LYS H 1 46 LYS HG2 . . 4.630 4.414 4.351 4.557 . 0 0 "[ . 1]" 1
334 1 8 ARG HA 1 9 LYS H . . 3.010 2.244 2.029 2.777 . 0 0 "[ . 1]" 1
335 1 9 LYS H 1 9 LYS HB3 . . 3.880 2.527 2.353 2.853 . 0 0 "[ . 1]" 1
336 1 9 LYS H 1 9 LYS HB2 . . 3.880 2.550 2.215 2.809 . 0 0 "[ . 1]" 1
337 1 9 LYS H 1 9 LYS HG3 . . 4.810 4.502 4.372 4.685 . 0 0 "[ . 1]" 1
338 1 9 LYS H 1 9 LYS HG2 . . 4.810 4.489 4.397 4.682 . 0 0 "[ . 1]" 1
339 1 57 ASP H 1 58 ILE H . . 3.270 2.215 2.157 2.273 . 0 0 "[ . 1]" 1
340 1 12 ASP HA 1 14 GLU H . . 4.430 3.135 2.878 3.337 . 0 0 "[ . 1]" 1
341 1 55 GLU HA 1 57 ASP H . . 4.640 3.591 3.378 3.746 . 0 0 "[ . 1]" 1
342 1 14 GLU H 1 31 VAL HB . . 4.230 4.391 4.361 4.431 0.201 7 0 "[ . 1]" 1
343 1 14 GLU H 1 14 GLU HB2 . . 3.650 2.630 2.536 2.708 . 0 0 "[ . 1]" 1
344 1 14 GLU H 1 14 GLU HB3 . . 3.450 2.404 2.268 2.483 . 0 0 "[ . 1]" 1
345 1 11 ALA MB 1 14 GLU H . . 4.390 4.189 3.491 4.410 0.020 9 0 "[ . 1]" 1
346 1 14 GLU H 1 31 VAL MG1 . . 4.390 1.920 1.859 1.995 . 0 0 "[ . 1]" 1
347 1 57 ASP H 1 57 ASP HB3 . . 3.950 3.572 2.848 3.698 . 0 0 "[ . 1]" 1
348 1 57 ASP H 1 57 ASP HB2 . . 3.950 2.446 2.402 2.500 . 0 0 "[ . 1]" 1
349 1 13 GLY H 1 14 GLU H . . 3.590 2.357 2.310 2.423 . 0 0 "[ . 1]" 1
350 1 54 LYS H 1 57 ASP H . . 4.360 3.972 3.727 4.169 . 0 0 "[ . 1]" 1
351 1 24 VAL H 1 25 LEU H . . 3.500 2.296 2.087 3.098 . 0 0 "[ . 1]" 1
352 1 23 SER HA 1 25 LEU H . . 4.550 4.040 3.852 4.261 . 0 0 "[ . 1]" 1
353 1 23 SER HB2 1 25 LEU H . . 4.470 2.991 2.527 3.801 . 0 0 "[ . 1]" 1
354 1 23 SER HB3 1 25 LEU H . . 4.470 3.073 2.375 4.228 . 0 0 "[ . 1]" 1
355 1 25 LEU H 1 25 LEU HB2 . . 3.490 2.478 2.199 3.540 0.050 4 0 "[ . 1]" 1
356 1 25 LEU H 1 25 LEU HG . . 3.440 2.656 2.033 3.588 0.148 7 0 "[ . 1]" 1
357 1 25 LEU H 1 25 LEU HB3 . . 3.870 3.506 3.104 3.617 . 0 0 "[ . 1]" 1
358 1 25 LEU H 1 25 LEU MD1 . . 4.330 3.686 2.170 4.044 . 0 0 "[ . 1]" 1
359 1 25 LEU H 1 25 LEU MD2 . . 4.150 3.074 1.993 3.682 . 0 0 "[ . 1]" 1
360 1 52 ALA HA 1 53 LEU H . . 2.930 2.127 2.095 2.154 . 0 0 "[ . 1]" 1
361 1 42 THR HA 1 53 LEU H . . 4.100 3.495 3.348 3.590 . 0 0 "[ . 1]" 1
362 1 53 LEU H 1 53 LEU HG . . 3.550 2.691 2.573 2.784 . 0 0 "[ . 1]" 1
363 1 52 ALA MB 1 53 LEU H . . 3.750 2.960 2.909 2.993 . 0 0 "[ . 1]" 1
364 1 53 LEU H 1 53 LEU MD2 . . 4.400 4.106 4.059 4.151 . 0 0 "[ . 1]" 1
365 1 53 LEU H 1 53 LEU MD1 . . 4.570 2.141 2.100 2.234 . 0 0 "[ . 1]" 1
366 1 60 LEU HA 1 61 GLN H . . 3.120 2.552 2.323 2.760 . 0 0 "[ . 1]" 1
367 1 61 GLN H 1 61 GLN HB2 . . 3.930 2.790 2.318 3.632 . 0 0 "[ . 1]" 1
368 1 61 GLN H 1 61 GLN HB3 . . 3.930 2.956 2.528 3.658 . 0 0 "[ . 1]" 1
369 1 60 LEU MD1 1 61 GLN H . . 5.500 4.332 3.966 4.699 . 0 0 "[ . 1]" 1
370 1 60 LEU MD2 1 61 GLN H . . 5.500 3.544 3.135 3.967 . 0 0 "[ . 1]" 1
371 1 31 VAL H 1 32 THR H . . 5.170 4.530 4.485 4.585 . 0 0 "[ . 1]" 1
372 1 32 THR H 1 44 LYS H . . 5.430 3.969 3.704 4.353 . 0 0 "[ . 1]" 1
373 1 32 THR H 1 43 VAL HA . . 3.580 2.281 2.025 2.526 . 0 0 "[ . 1]" 1
374 1 31 VAL HA 1 32 THR H . . 3.160 2.136 2.036 2.234 . 0 0 "[ . 1]" 1
375 1 32 THR H 1 32 THR HB . . 3.360 2.874 2.455 3.485 0.125 1 0 "[ . 1]" 1
376 1 31 VAL MG2 1 32 THR H . . 3.770 2.607 2.482 2.783 . 0 0 "[ . 1]" 1
377 1 32 THR H 1 43 VAL MG1 . . 4.140 3.368 3.202 3.546 . 0 0 "[ . 1]" 1
378 1 31 VAL MG1 1 32 THR H . . 4.350 3.937 3.823 4.100 . 0 0 "[ . 1]" 1
379 1 32 THR H 1 33 SER HA . . 4.960 4.622 4.572 4.674 . 0 0 "[ . 1]" 1
380 1 43 VAL H 1 51 LEU H . . 3.770 2.756 2.643 2.850 . 0 0 "[ . 1]" 1
381 1 50 GLU HA 1 51 LEU H . . 2.930 2.257 2.203 2.294 . 0 0 "[ . 1]" 1
382 1 44 LYS HA 1 51 LEU H . . 4.190 3.466 3.161 3.734 . 0 0 "[ . 1]" 1
383 1 42 THR HA 1 51 LEU H . . 5.180 4.247 4.133 4.430 . 0 0 "[ . 1]" 1
384 1 51 LEU H 1 51 LEU HB3 . . 4.030 2.677 2.603 2.724 . 0 0 "[ . 1]" 1
385 1 42 THR MG 1 51 LEU H . . 4.670 3.301 3.171 3.562 . 0 0 "[ . 1]" 1
386 1 51 LEU H 1 51 LEU HG . . 4.850 4.475 4.387 4.528 . 0 0 "[ . 1]" 1
387 1 43 VAL MG2 1 51 LEU H . . 3.680 2.885 2.786 2.948 . 0 0 "[ . 1]" 1
388 1 51 LEU H 1 51 LEU MD1 . . 4.710 4.390 4.368 4.417 . 0 0 "[ . 1]" 1
389 1 51 LEU H 1 51 LEU MD2 . . 4.710 4.483 4.397 4.561 . 0 0 "[ . 1]" 1
390 1 64 PHE H 1 64 PHE QD . . 4.530 3.461 2.562 4.210 . 0 0 "[ . 1]" 1
391 1 16 VAL H 1 29 VAL H . . 3.930 3.180 3.146 3.213 . 0 0 "[ . 1]" 1
392 1 16 VAL H 1 30 GLN HA . . 4.040 2.869 2.736 3.003 . 0 0 "[ . 1]" 1
393 1 15 VAL HA 1 16 VAL H . . 2.960 2.121 2.087 2.159 . 0 0 "[ . 1]" 1
394 1 16 VAL H 1 28 GLU HA . . 5.500 4.820 4.677 4.897 . 0 0 "[ . 1]" 1
395 1 15 VAL MG1 1 16 VAL H . . 4.340 4.015 3.926 4.061 . 0 0 "[ . 1]" 1
396 1 15 VAL MG2 1 16 VAL H . . 3.580 2.640 2.604 2.669 . 0 0 "[ . 1]" 1
397 1 16 VAL H 1 29 VAL MG2 . . 4.410 3.086 2.935 3.258 . 0 0 "[ . 1]" 1
398 1 16 VAL H 1 16 VAL MG1 . . 4.000 3.164 3.089 3.296 . 0 0 "[ . 1]" 1
399 1 16 VAL H 1 16 VAL MG2 . . 3.330 2.235 2.170 2.307 . 0 0 "[ . 1]" 1
400 1 15 VAL HB 1 16 VAL H . . 4.650 4.138 4.069 4.217 . 0 0 "[ . 1]" 1
401 1 41 TYR QD 1 55 GLU H . . 4.390 3.206 3.025 3.381 . 0 0 "[ . 1]" 1
402 1 41 TYR QE 1 55 GLU H . . 4.490 3.513 3.080 4.328 . 0 0 "[ . 1]" 1
403 1 55 GLU H 1 55 GLU HB2 . . 3.930 3.171 2.401 3.632 . 0 0 "[ . 1]" 1
404 1 55 GLU H 1 55 GLU HB3 . . 3.930 2.691 2.217 3.090 . 0 0 "[ . 1]" 1
405 1 54 LYS HB2 1 55 GLU H . . 4.240 3.697 3.563 4.039 . 0 0 "[ . 1]" 1
406 1 54 LYS HB3 1 55 GLU H . . 4.240 2.569 2.227 3.747 . 0 0 "[ . 1]" 1
407 1 54 LYS HG2 1 55 GLU H . . 5.500 3.959 2.327 4.892 . 0 0 "[ . 1]" 1
408 1 54 LYS HG3 1 55 GLU H . . 5.500 4.599 2.739 4.942 . 0 0 "[ . 1]" 1
409 1 40 LEU MD1 1 55 GLU H . . 4.790 4.686 4.441 4.850 0.060 4 0 "[ . 1]" 1
410 1 11 ALA HA 1 12 ASP H . . 2.960 2.422 2.271 2.920 . 0 0 "[ . 1]" 1
411 1 11 ALA MB 1 12 ASP H . . 3.280 2.501 1.861 2.722 . 0 0 "[ . 1]" 1
412 1 12 ASP H 1 31 VAL MG2 . . 4.820 4.516 4.019 4.846 0.026 1 0 "[ . 1]" 1
413 1 43 VAL HA 1 44 LYS H . . 3.150 2.302 2.274 2.344 . 0 0 "[ . 1]" 1
414 1 53 LEU HA 1 54 LYS H . . 3.010 2.492 2.412 2.565 . 0 0 "[ . 1]" 1
415 1 54 LYS H 1 57 ASP HB2 . . 4.450 2.903 2.723 3.141 . 0 0 "[ . 1]" 1
416 1 54 LYS H 1 57 ASP HB3 . . 4.450 4.148 3.250 4.503 0.053 5 0 "[ . 1]" 1
417 1 54 LYS H 1 54 LYS HB2 . . 4.060 2.467 2.380 2.509 . 0 0 "[ . 1]" 1
418 1 54 LYS H 1 54 LYS HB3 . . 4.060 3.527 2.445 3.682 . 0 0 "[ . 1]" 1
419 1 54 LYS H 1 54 LYS HG2 . . 4.370 3.572 2.523 4.353 . 0 0 "[ . 1]" 1
420 1 54 LYS H 1 54 LYS HG3 . . 4.370 3.047 2.447 4.371 0.001 8 0 "[ . 1]" 1
421 1 53 LEU HB3 1 54 LYS H . . 4.040 3.379 3.278 3.437 . 0 0 "[ . 1]" 1
422 1 53 LEU MD1 1 54 LYS H . . 5.050 3.517 3.369 3.641 . 0 0 "[ . 1]" 1
423 1 43 VAL HB 1 44 LYS H . . 3.580 2.555 2.430 2.697 . 0 0 "[ . 1]" 1
424 1 53 LEU HB2 1 54 LYS H . . 4.110 2.227 2.152 2.308 . 0 0 "[ . 1]" 1
425 1 32 THR MG 1 44 LYS H . . 4.250 3.892 3.042 4.372 0.122 2 0 "[ . 1]" 1
426 1 43 VAL MG2 1 44 LYS H . . 4.060 3.485 3.401 3.558 . 0 0 "[ . 1]" 1
427 1 53 LEU MD2 1 54 LYS H . . 4.080 4.154 4.120 4.192 0.112 10 0 "[ . 1]" 1
428 1 31 VAL HA 1 44 LYS H . . 4.910 3.570 3.407 3.714 . 0 0 "[ . 1]" 1
429 1 17 MET HA 1 29 VAL H . . 4.020 2.875 2.738 3.091 . 0 0 "[ . 1]" 1
430 1 28 GLU HA 1 29 VAL H . . 2.870 2.137 2.069 2.166 . 0 0 "[ . 1]" 1
431 1 15 VAL MG2 1 29 VAL H . . 4.460 3.391 3.266 3.502 . 0 0 "[ . 1]" 1
432 1 29 VAL H 1 29 VAL MG1 . . 4.000 2.963 2.874 3.012 . 0 0 "[ . 1]" 1
433 1 29 VAL H 1 29 VAL MG2 . . 3.390 2.233 2.147 2.277 . 0 0 "[ . 1]" 1
434 1 16 VAL MG2 1 29 VAL H . . 4.320 3.600 3.442 3.768 . 0 0 "[ . 1]" 1
435 1 33 SER HA 1 34 TYR H . . 2.980 2.508 2.240 2.700 . 0 0 "[ . 1]" 1
436 1 33 SER HB2 1 34 TYR H . . 3.970 3.614 3.277 3.940 . 0 0 "[ . 1]" 1
437 1 33 SER HB3 1 34 TYR H . . 3.970 2.784 2.165 3.292 . 0 0 "[ . 1]" 1
438 1 34 TYR H 1 34 TYR HB3 . . 3.980 2.777 2.503 2.923 . 0 0 "[ . 1]" 1
439 1 34 TYR H 1 34 TYR HB2 . . 3.980 3.446 3.093 3.582 . 0 0 "[ . 1]" 1
440 1 36 ASP H 1 37 ALA H . . 3.450 2.306 2.172 2.522 . 0 0 "[ . 1]" 1
441 1 37 ALA H 1 38 SER H . . 3.140 2.626 2.477 2.883 . 0 0 "[ . 1]" 1
442 1 37 ALA H 1 39 HIS H . . 4.010 3.419 3.052 3.735 . 0 0 "[ . 1]" 1
443 1 35 ASP HA 1 37 ALA H . . 4.320 3.684 3.431 3.931 . 0 0 "[ . 1]" 1
444 1 36 ASP HB2 1 37 ALA H . . 4.310 3.983 3.064 4.290 . 0 0 "[ . 1]" 1
445 1 36 ASP HB3 1 37 ALA H . . 4.310 3.695 2.629 4.266 . 0 0 "[ . 1]" 1
446 1 37 ALA H 1 37 ALA MB . . 2.890 2.253 2.203 2.287 . 0 0 "[ . 1]" 1
447 1 43 VAL H 1 52 ALA HA . . 3.980 3.200 3.065 3.309 . 0 0 "[ . 1]" 1
448 1 42 THR HA 1 43 VAL H . . 2.940 2.136 2.089 2.161 . 0 0 "[ . 1]" 1
449 1 42 THR HB 1 43 VAL H . . 4.380 4.020 3.928 4.099 . 0 0 "[ . 1]" 1
450 1 42 THR MG 1 43 VAL H . . 3.490 2.688 2.657 2.729 . 0 0 "[ . 1]" 1
451 1 43 VAL H 1 43 VAL MG2 . . 3.260 2.179 2.156 2.215 . 0 0 "[ . 1]" 1
452 1 18 GLY H 1 27 TYR H . . 3.730 2.917 2.782 3.138 . 0 0 "[ . 1]" 1
453 1 27 TYR H 1 27 TYR QD . . 4.000 2.877 2.548 3.183 . 0 0 "[ . 1]" 1
454 1 26 TYR HA 1 27 TYR H . . 3.170 2.093 2.044 2.177 . 0 0 "[ . 1]" 1
455 1 19 ARG HA 1 27 TYR H . . 4.300 3.475 3.046 3.643 . 0 0 "[ . 1]" 1
456 1 27 TYR H 1 27 TYR HB3 . . 4.150 3.692 3.610 3.785 . 0 0 "[ . 1]" 1
457 1 27 TYR H 1 27 TYR HB2 . . 4.150 2.512 2.337 2.653 . 0 0 "[ . 1]" 1
458 1 26 TYR HB2 1 27 TYR H . . 4.560 4.241 4.074 4.413 . 0 0 "[ . 1]" 1
459 1 26 TYR HB3 1 27 TYR H . . 4.560 3.222 2.930 3.618 . 0 0 "[ . 1]" 1
460 1 7 ASN HA 1 8 ARG H . . 3.500 3.094 2.161 3.516 0.016 3 0 "[ . 1]" 1
461 1 7 ASN HB2 1 8 ARG H . . 5.060 3.383 1.965 4.274 . 0 0 "[ . 1]" 1
462 1 7 ASN HB3 1 8 ARG H . . 5.060 3.020 1.882 4.333 . 0 0 "[ . 1]" 1
463 1 8 ARG H 1 8 ARG HB2 . . 4.140 2.690 2.270 3.450 . 0 0 "[ . 1]" 1
464 1 8 ARG H 1 8 ARG HB3 . . 4.140 3.417 2.552 3.809 . 0 0 "[ . 1]" 1
465 1 56 SER HA 1 58 ILE H . . 4.750 3.595 3.459 3.744 . 0 0 "[ . 1]" 1
466 1 55 GLU HA 1 58 ILE H . . 4.430 3.502 3.296 3.800 . 0 0 "[ . 1]" 1
467 1 57 ASP HB2 1 58 ILE H . . 4.950 3.592 3.274 4.107 . 0 0 "[ . 1]" 1
468 1 57 ASP HB3 1 58 ILE H . . 4.950 4.170 3.738 4.387 . 0 0 "[ . 1]" 1
469 1 58 ILE H 1 58 ILE HG12 . . 4.500 3.749 3.675 3.856 . 0 0 "[ . 1]" 1
470 1 58 ILE H 1 58 ILE HB . . 3.370 2.601 2.530 2.720 . 0 0 "[ . 1]" 1
471 1 58 ILE H 1 58 ILE HG13 . . 4.500 2.667 2.548 2.809 . 0 0 "[ . 1]" 1
472 1 58 ILE H 1 58 ILE MD . . 4.490 3.989 3.892 4.118 . 0 0 "[ . 1]" 1
473 1 58 ILE H 1 58 ILE MG . . 4.350 3.836 3.802 3.896 . 0 0 "[ . 1]" 1
474 1 60 LEU H 1 60 LEU HG . . 3.390 2.653 2.146 3.467 0.077 9 0 "[ . 1]" 1
475 1 30 GLN H 1 44 LYS H . . 3.580 2.815 2.619 3.080 . 0 0 "[ . 1]" 1
476 1 29 VAL H 1 30 GLN H . . 5.000 4.374 4.333 4.419 . 0 0 "[ . 1]" 1
477 1 29 VAL HA 1 30 GLN H . . 3.080 2.398 2.337 2.519 . 0 0 "[ . 1]" 1
478 1 49 THR H 1 49 THR HB . . 3.400 2.527 2.372 2.614 . 0 0 "[ . 1]" 1
479 1 29 VAL HB 1 30 GLN H . . 3.820 2.440 2.266 2.576 . 0 0 "[ . 1]" 1
480 1 30 GLN H 1 43 VAL HB . . 4.320 3.330 3.026 3.519 . 0 0 "[ . 1]" 1
481 1 29 VAL MG1 1 30 GLN H . . 4.030 3.695 3.601 3.838 . 0 0 "[ . 1]" 1
482 1 30 GLN H 1 43 VAL MG1 . . 4.570 4.497 4.316 4.591 0.021 3 0 "[ . 1]" 1
483 1 29 VAL MG2 1 30 GLN H . . 4.360 3.395 3.313 3.480 . 0 0 "[ . 1]" 1
484 1 49 THR H 1 49 THR MG . . 3.910 3.669 3.605 3.707 . 0 0 "[ . 1]" 1
485 1 47 ASP H 1 49 THR H . . 4.790 3.998 3.523 4.327 . 0 0 "[ . 1]" 1
486 1 41 TYR QD 1 42 THR H . . 4.710 4.312 3.801 4.581 . 0 0 "[ . 1]" 1
487 1 41 TYR HA 1 42 THR H . . 3.090 2.137 2.110 2.164 . 0 0 "[ . 1]" 1
488 1 42 THR H 1 42 THR HB . . 3.470 2.548 2.491 2.600 . 0 0 "[ . 1]" 1
489 1 42 THR H 1 42 THR MG . . 3.900 3.765 3.755 3.785 . 0 0 "[ . 1]" 1
490 1 26 TYR H 1 26 TYR QD . . 3.480 2.897 2.508 3.277 . 0 0 "[ . 1]" 1
491 1 25 LEU HA 1 26 TYR H . . 2.990 2.139 2.011 2.348 . 0 0 "[ . 1]" 1
492 1 26 TYR H 1 26 TYR HB3 . . 4.040 3.646 3.600 3.758 . 0 0 "[ . 1]" 1
493 1 26 TYR H 1 26 TYR HB2 . . 4.040 2.475 2.395 2.671 . 0 0 "[ . 1]" 1
494 1 25 LEU HB2 1 26 TYR H . . 4.380 3.808 2.880 4.329 . 0 0 "[ . 1]" 1
495 1 25 LEU HB3 1 26 TYR H . . 3.800 2.864 2.500 3.550 . 0 0 "[ . 1]" 1
496 1 25 LEU MD1 1 26 TYR H . . 4.040 4.028 3.567 4.136 0.096 10 0 "[ . 1]" 1
497 1 47 ASP H 1 48 GLY H . . 3.390 2.600 2.516 2.726 . 0 0 "[ . 1]" 1
498 1 45 TYR QD 1 47 ASP H . . 4.350 4.014 3.651 4.332 . 0 0 "[ . 1]" 1
499 1 46 LYS H 1 47 ASP H . . 4.080 2.573 2.493 2.648 . 0 0 "[ . 1]" 1
500 1 46 LYS HB2 1 47 ASP H . . 5.210 4.001 3.920 4.139 . 0 0 "[ . 1]" 1
501 1 46 LYS HB3 1 47 ASP H . . 5.210 2.945 2.822 3.100 . 0 0 "[ . 1]" 1
502 1 38 SER H 1 39 HIS H . . 3.160 2.270 2.141 2.406 . 0 0 "[ . 1]" 1
503 1 39 HIS H 1 39 HIS HA . . 2.930 2.247 2.216 2.280 . 0 0 "[ . 1]" 1
504 1 37 ALA MB 1 39 HIS H . . 4.460 4.026 3.879 4.140 . 0 0 "[ . 1]" 1
505 1 39 HIS H 1 40 LEU H . . 3.430 2.846 2.604 3.149 . 0 0 "[ . 1]" 1
506 1 35 ASP H 1 40 LEU H . . 4.210 3.090 2.961 3.273 . 0 0 "[ . 1]" 1
507 1 35 ASP HB3 1 40 LEU H . . 4.520 2.444 2.091 2.765 . 0 0 "[ . 1]" 1
508 1 35 ASP HB2 1 40 LEU H . . 4.520 4.131 3.795 4.475 . 0 0 "[ . 1]" 1
509 1 40 LEU H 1 40 LEU HB2 . . 4.040 2.558 2.347 2.860 . 0 0 "[ . 1]" 1
510 1 40 LEU H 1 40 LEU HB3 . . 4.040 3.630 3.326 3.863 . 0 0 "[ . 1]" 1
511 1 40 LEU H 1 40 LEU MD1 . . 4.740 4.043 3.348 4.341 . 0 0 "[ . 1]" 1
512 1 40 LEU H 1 40 LEU MD2 . . 4.740 3.330 2.960 4.358 . 0 0 "[ . 1]" 1
513 1 22 GLY H 1 23 SER H . . 4.550 2.632 2.341 3.044 . 0 0 "[ . 1]" 1
514 1 23 SER H 1 23 SER HB2 . . 3.890 2.864 2.421 3.647 . 0 0 "[ . 1]" 1
515 1 23 SER H 1 23 SER HB3 . . 3.890 3.303 2.553 3.652 . 0 0 "[ . 1]" 1
516 1 16 VAL HA 1 17 MET H . . 3.360 2.583 2.496 2.648 . 0 0 "[ . 1]" 1
517 1 17 MET H 1 60 LEU HA . . 5.240 3.266 2.806 3.860 . 0 0 "[ . 1]" 1
518 1 17 MET H 1 17 MET HG2 . . 4.300 3.622 2.747 4.075 . 0 0 "[ . 1]" 1
519 1 17 MET H 1 17 MET HG3 . . 4.300 3.442 2.877 4.397 0.097 4 0 "[ . 1]" 1
520 1 16 VAL HB 1 17 MET H . . 2.980 2.098 1.945 2.310 . 0 0 "[ . 1]" 1
521 1 17 MET H 1 17 MET ME . . 5.500 4.948 4.646 5.088 . 0 0 "[ . 1]" 1
522 1 17 MET H 1 59 ARG HB3 . . 5.500 4.801 4.034 5.489 . 0 0 "[ . 1]" 1
523 1 17 MET H 1 59 ARG HB2 . . 5.500 4.499 3.646 5.485 . 0 0 "[ . 1]" 1
524 1 16 VAL MG1 1 17 MET H . . 4.020 3.490 3.332 3.643 . 0 0 "[ . 1]" 1
525 1 16 VAL MG2 1 17 MET H . . 3.930 3.279 3.158 3.391 . 0 0 "[ . 1]" 1
526 1 17 MET H 1 58 ILE MG . . 3.960 3.203 2.996 3.459 . 0 0 "[ . 1]" 1
527 1 9 LYS H 1 10 TYR H . . 3.550 2.387 2.066 2.946 . 0 0 "[ . 1]" 1
528 1 10 TYR H 1 10 TYR QD . . 3.760 3.030 2.918 3.174 . 0 0 "[ . 1]" 1
529 1 10 TYR H 1 10 TYR QE . . 4.760 4.634 4.327 4.835 0.075 1 0 "[ . 1]" 1
530 1 8 ARG HA 1 10 TYR H . . 4.460 3.687 2.937 4.492 0.032 7 0 "[ . 1]" 1
531 1 10 TYR H 1 10 TYR HB3 . . 4.020 3.710 3.628 3.790 . 0 0 "[ . 1]" 1
532 1 10 TYR H 1 10 TYR HB2 . . 4.020 2.652 2.566 2.715 . 0 0 "[ . 1]" 1
533 1 9 LYS HB3 1 10 TYR H . . 4.250 2.673 2.198 3.004 . 0 0 "[ . 1]" 1
534 1 9 LYS HB2 1 10 TYR H . . 4.250 3.820 3.446 4.149 . 0 0 "[ . 1]" 1
535 1 33 SER H 1 34 TYR H . . 4.580 4.323 4.235 4.434 . 0 0 "[ . 1]" 1
536 1 33 SER H 1 42 THR H . . 4.060 3.141 2.971 3.263 . 0 0 "[ . 1]" 1
537 1 32 THR H 1 33 SER H . . 3.000 2.067 1.945 2.171 . 0 0 "[ . 1]" 1
538 1 33 SER H 1 43 VAL HA . . 4.470 3.906 3.780 4.091 . 0 0 "[ . 1]" 1
539 1 33 SER H 1 41 TYR HA . . 5.500 4.811 4.543 4.953 . 0 0 "[ . 1]" 1
540 1 33 SER H 1 42 THR HA . . 5.500 4.629 4.516 4.741 . 0 0 "[ . 1]" 1
541 1 32 THR HB 1 33 SER H . . 4.140 3.354 2.567 4.171 0.031 3 0 "[ . 1]" 1
542 1 33 SER H 1 42 THR HB . . 3.490 2.515 2.230 2.689 . 0 0 "[ . 1]" 1
543 1 31 VAL MG2 1 33 SER H . . 3.620 2.881 2.665 3.054 . 0 0 "[ . 1]" 1
544 1 23 SER HA 1 24 VAL H . . 3.330 2.743 2.489 3.387 0.057 3 0 "[ . 1]" 1
545 1 23 SER HB2 1 24 VAL H . . 4.570 3.202 1.928 3.953 . 0 0 "[ . 1]" 1
546 1 23 SER HB3 1 24 VAL H . . 4.570 3.065 2.275 4.188 . 0 0 "[ . 1]" 1
547 1 24 VAL H 1 25 LEU HG . . 4.860 3.786 3.212 4.948 0.088 9 0 "[ . 1]" 1
548 1 24 VAL H 1 24 VAL MG1 . . 4.000 2.652 2.111 4.063 0.063 9 0 "[ . 1]" 1
549 1 24 VAL H 1 24 VAL MG2 . . 4.000 3.305 2.000 3.903 . 0 0 "[ . 1]" 1
550 1 12 ASP HA 1 13 GLY H . . 3.000 2.149 2.061 2.246 . 0 0 "[ . 1]" 1
551 1 12 ASP HB2 1 13 GLY H . . 3.720 3.096 2.710 3.338 . 0 0 "[ . 1]" 1
552 1 13 GLY H 1 14 GLU HB3 . . 4.500 4.503 4.355 4.572 0.072 7 0 "[ . 1]" 1
553 1 13 GLY H 1 31 VAL MG2 . . 4.120 3.495 3.011 3.815 . 0 0 "[ . 1]" 1
554 1 38 SER H 1 40 LEU H . . 4.580 4.012 3.678 4.455 . 0 0 "[ . 1]" 1
555 1 36 ASP HA 1 38 SER H . . 4.910 4.687 4.494 4.876 . 0 0 "[ . 1]" 1
556 1 38 SER H 1 39 HIS HA . . 5.300 4.421 4.282 4.604 . 0 0 "[ . 1]" 1
557 1 38 SER H 1 38 SER HB2 . . 4.060 2.530 2.436 2.758 . 0 0 "[ . 1]" 1
558 1 38 SER H 1 38 SER HB3 . . 4.060 3.523 2.513 3.673 . 0 0 "[ . 1]" 1
559 1 37 ALA MB 1 38 SER H . . 3.290 2.354 2.228 2.408 . 0 0 "[ . 1]" 1
560 1 17 MET H 1 18 GLY H . . 4.900 4.341 4.305 4.374 . 0 0 "[ . 1]" 1
561 1 18 GLY H 1 19 ARG H . . 5.200 4.339 4.269 4.381 . 0 0 "[ . 1]" 1
562 1 18 GLY H 1 26 TYR QD . . 4.570 3.747 3.289 3.995 . 0 0 "[ . 1]" 1
563 1 17 MET HA 1 18 GLY H . . 3.170 2.176 2.138 2.211 . 0 0 "[ . 1]" 1
564 1 18 GLY H 1 28 GLU HA . . 4.650 3.551 3.435 3.753 . 0 0 "[ . 1]" 1
565 1 18 GLY H 1 29 VAL MG2 . . 3.990 2.739 2.614 2.828 . 0 0 "[ . 1]" 1
566 1 17 MET HB2 1 18 GLY H . . 4.780 4.098 4.057 4.172 . 0 0 "[ . 1]" 1
567 1 17 MET ME 1 18 GLY H . . 5.110 4.164 3.433 4.757 . 0 0 "[ . 1]" 1
568 1 18 GLY H 1 29 VAL HB . . 5.500 5.395 5.099 5.535 0.035 4 0 "[ . 1]" 1
569 1 17 MET HB3 1 18 GLY H . . 4.780 3.239 3.084 4.224 . 0 0 "[ . 1]" 1
570 1 46 LYS HA 1 48 GLY H . . 4.290 3.471 3.285 3.625 . 0 0 "[ . 1]" 1
571 1 55 GLU H 1 56 SER H . . 3.880 2.639 2.578 2.753 . 0 0 "[ . 1]" 1
572 1 56 SER H 1 56 SER HB2 . . 4.010 2.515 2.457 2.625 . 0 0 "[ . 1]" 1
573 1 56 SER H 1 56 SER HB3 . . 4.010 3.429 2.522 3.598 . 0 0 "[ . 1]" 1
574 1 55 GLU HB3 1 56 SER H . . 4.680 3.640 2.718 4.307 . 0 0 "[ . 1]" 1
575 1 55 GLU HG3 1 56 SER H . . 5.020 3.922 2.269 4.955 . 0 0 "[ . 1]" 1
576 1 54 LYS HB2 1 56 SER H . . 4.240 3.268 2.951 4.322 0.082 8 0 "[ . 1]" 1
577 1 54 LYS HB3 1 56 SER H . . 4.240 2.659 2.387 3.120 . 0 0 "[ . 1]" 1
578 1 55 GLU HG2 1 56 SER H . . 5.020 3.929 2.785 4.545 . 0 0 "[ . 1]" 1
579 1 55 GLU HB2 1 56 SER H . . 4.680 3.817 3.507 4.072 . 0 0 "[ . 1]" 1
580 1 54 LYS HG2 1 56 SER H . . 5.500 4.761 1.748 5.289 . 0 0 "[ . 1]" 1
581 1 54 LYS HG3 1 56 SER H . . 5.500 5.034 3.473 5.524 0.024 2 0 "[ . 1]" 1
582 1 14 GLU H 1 31 VAL MG2 . . 4.910 4.242 4.113 4.419 . 0 0 "[ . 1]" 1
583 1 20 TRP H 1 27 TYR H . . 5.040 4.246 3.899 4.868 . 0 0 "[ . 1]" 1
584 1 20 TRP H 1 20 TRP HE3 . . 5.440 4.640 4.457 4.810 . 0 0 "[ . 1]" 1
585 1 20 TRP H 1 26 TYR QD . . 5.500 5.028 4.824 5.150 . 0 0 "[ . 1]" 1
586 1 20 TRP H 1 27 TYR QD . . 4.570 3.393 2.694 4.144 . 0 0 "[ . 1]" 1
587 1 20 TRP H 1 27 TYR QE . . 4.850 4.010 3.178 4.555 . 0 0 "[ . 1]" 1
588 1 10 TYR QD 1 11 ALA H . . 4.400 4.246 3.555 4.437 0.037 2 0 "[ . 1]" 1
589 1 35 ASP H 1 39 HIS HA . . 4.880 4.811 4.619 4.920 0.040 5 0 "[ . 1]" 1
590 1 18 GLY H 1 29 VAL MG1 . . 5.100 3.076 2.677 3.427 . 0 0 "[ . 1]" 1
591 1 35 ASP HA 1 38 SER H . . 4.830 4.865 4.840 4.895 0.065 7 0 "[ . 1]" 1
592 1 19 ARG HB2 1 19 ARG HE . . 5.170 3.694 2.753 4.546 . 0 0 "[ . 1]" 1
593 1 19 ARG HB3 1 19 ARG HE . . 5.170 3.205 1.981 4.594 . 0 0 "[ . 1]" 1
594 1 13 GLY H 1 31 VAL MG1 . . 4.870 1.757 1.578 1.982 . 0 0 "[ . 1]" 1
595 1 12 ASP H 1 13 GLY H . . 4.860 4.503 4.285 4.600 . 0 0 "[ . 1]" 1
596 1 42 THR H 1 43 VAL MG1 . . 4.760 4.110 3.987 4.205 . 0 0 "[ . 1]" 1
597 1 58 ILE H 1 59 ARG H . . 4.790 4.360 4.318 4.448 . 0 0 "[ . 1]" 1
598 1 24 VAL HB 1 25 LEU H . . 4.850 4.127 2.868 4.394 . 0 0 "[ . 1]" 1
599 1 43 VAL MG2 1 52 ALA H . . 5.500 4.751 4.593 4.944 . 0 0 "[ . 1]" 1
600 1 52 ALA H 1 53 LEU MD1 . . 5.500 5.551 5.498 5.603 0.103 9 0 "[ . 1]" 1
601 1 42 THR MG 1 52 ALA H . . 5.310 4.129 3.633 4.343 . 0 0 "[ . 1]" 1
602 1 51 LEU HG 1 52 ALA H . . 5.500 2.533 2.221 2.723 . 0 0 "[ . 1]" 1
603 1 28 GLU H 1 45 TYR QE . . 4.750 4.815 4.785 4.866 0.116 2 0 "[ . 1]" 1
604 1 16 VAL MG2 1 59 ARG H . . 5.500 4.390 4.222 4.742 . 0 0 "[ . 1]" 1
605 1 58 ILE MD 1 59 ARG H . . 5.500 4.793 4.709 4.920 . 0 0 "[ . 1]" 1
606 1 35 ASP H 1 36 ASP H . . 4.680 4.357 4.326 4.406 . 0 0 "[ . 1]" 1
607 1 34 TYR H 1 35 ASP H . . 4.860 4.092 3.933 4.318 . 0 0 "[ . 1]" 1
608 1 20 TRP H 1 25 LEU HB2 . . 5.500 3.990 3.345 4.805 . 0 0 "[ . 1]" 1
609 1 10 TYR HA 1 10 TYR QD . . 3.760 2.612 2.366 2.868 . 0 0 "[ . 1]" 1
610 1 27 TYR QD 1 45 TYR QD . . 5.350 4.099 3.566 4.598 . 0 0 "[ . 1]" 1
611 1 26 TYR HA 1 27 TYR QD . . 3.900 3.552 3.153 3.917 0.017 6 0 "[ . 1]" 1
612 1 34 TYR QE 1 35 ASP H . . 4.630 4.372 4.181 4.589 . 0 0 "[ . 1]" 1
613 1 34 TYR QD 1 41 TYR HA . . 4.200 2.547 2.272 3.022 . 0 0 "[ . 1]" 1
614 1 34 TYR QE 1 41 TYR QD . . 4.650 3.559 3.274 3.793 . 0 0 "[ . 1]" 1
615 1 34 TYR QD 1 41 TYR QD . . 4.490 3.183 3.017 3.337 . 0 0 "[ . 1]" 1
616 1 41 TYR QD 1 55 GLU HA . . 4.330 3.214 2.343 3.535 . 0 0 "[ . 1]" 1
617 1 41 TYR QE 1 55 GLU HB2 . . 4.160 2.941 1.848 3.652 . 0 0 "[ . 1]" 1
618 1 41 TYR QE 1 55 GLU HB3 . . 4.160 2.594 1.909 3.798 . 0 0 "[ . 1]" 1
619 1 20 TRP HB2 1 27 TYR QE . . 4.160 2.634 2.056 3.146 . 0 0 "[ . 1]" 1
620 1 25 LEU HB2 1 27 TYR QE . . 4.230 2.641 1.976 3.256 . 0 0 "[ . 1]" 1
621 1 8 ARG HB3 1 34 TYR QE . . 5.310 4.835 3.938 5.372 0.062 7 0 "[ . 1]" 1
622 1 34 TYR QD 1 41 TYR QE . . 5.020 3.561 3.418 3.657 . 0 0 "[ . 1]" 1
623 1 20 TRP HH2 1 45 TYR QD . . 4.740 4.701 4.520 4.781 0.041 2 0 "[ . 1]" 1
624 1 20 TRP HZ3 1 45 TYR QD . . 4.870 3.260 2.999 3.390 . 0 0 "[ . 1]" 1
625 1 34 TYR QD 1 40 LEU HA . . 4.800 4.469 4.055 4.827 0.027 8 0 "[ . 1]" 1
626 1 31 VAL MG1 1 41 TYR QD . . 4.130 4.024 3.836 4.150 0.020 3 0 "[ . 1]" 1
627 1 41 TYR QD 1 55 GLU HB3 . . 5.030 3.816 3.105 4.580 . 0 0 "[ . 1]" 1
628 1 9 LYS HB3 1 10 TYR QD . . 4.940 3.152 2.509 3.647 . 0 0 "[ . 1]" 1
629 1 19 ARG HA 1 27 TYR QD . . 4.510 4.225 3.479 4.541 0.031 4 0 "[ . 1]" 1
630 1 5 MET HA 1 6 PRO QD . . 3.160 2.040 1.894 2.245 . 0 0 "[ . 1]" 1
631 1 7 ASN QB 1 8 ARG H . . 4.330 2.610 1.873 3.719 . 0 0 "[ . 1]" 1
632 1 8 ARG H 1 8 ARG QG . . 3.920 3.451 2.268 4.026 0.106 8 0 "[ . 1]" 1
633 1 8 ARG HA 1 8 ARG QG . . 3.740 2.478 2.366 2.657 . 0 0 "[ . 1]" 1
634 1 8 ARG QB 1 8 ARG HE . . 4.300 2.482 1.851 3.926 . 0 0 "[ . 1]" 1
635 1 8 ARG QB 1 9 LYS H . . 4.320 3.303 1.872 4.003 . 0 0 "[ . 1]" 1
636 1 8 ARG QB 1 10 TYR H . . 4.440 3.476 2.321 4.480 0.040 5 0 "[ . 1]" 1
637 1 8 ARG QB 1 34 TYR QE . . 4.600 4.001 3.055 4.683 0.083 6 0 "[ . 1]" 1
638 1 8 ARG QB 1 41 TYR QE . . 5.240 3.569 2.411 4.736 . 0 0 "[ . 1]" 1
639 1 8 ARG QD 1 41 TYR QE . . 4.670 4.208 3.329 4.709 0.039 1 0 "[ . 1]" 1
640 1 9 LYS H 1 9 LYS QB . . 3.290 2.234 2.143 2.310 . 0 0 "[ . 1]" 1
641 1 9 LYS H 1 9 LYS QG . . 4.040 4.001 3.933 4.090 0.050 4 0 "[ . 1]" 1
642 1 9 LYS HA 1 9 LYS QD . . 4.580 3.349 2.074 4.266 . 0 0 "[ . 1]" 1
643 1 9 LYS QB 1 10 TYR QD . . 4.250 3.103 2.491 3.563 . 0 0 "[ . 1]" 1
644 1 9 LYS QB 1 10 TYR QE . . 4.430 3.411 3.059 3.821 . 0 0 "[ . 1]" 1
645 1 10 TYR H 1 10 TYR QB . . 3.470 2.597 2.517 2.644 . 0 0 "[ . 1]" 1
646 1 10 TYR QB 1 11 ALA H . . 3.730 3.304 2.403 3.757 0.027 9 0 "[ . 1]" 1
647 1 10 TYR QB 1 16 VAL MG1 . . 4.180 2.780 2.327 3.280 . 0 0 "[ . 1]" 1
648 1 10 TYR QB 1 31 VAL MG1 . . 3.600 2.945 2.476 3.273 . 0 0 "[ . 1]" 1
649 1 10 TYR QB 1 41 TYR QD . . 4.990 3.072 2.734 3.673 . 0 0 "[ . 1]" 1
650 1 10 TYR QB 1 41 TYR QE . . 3.980 2.411 2.165 2.680 . 0 0 "[ . 1]" 1
651 1 10 TYR QD 1 55 GLU QB . . 5.340 3.715 2.899 4.458 . 0 0 "[ . 1]" 1
652 1 10 TYR QD 1 60 LEU QD . . 4.290 3.015 2.070 4.116 . 0 0 "[ . 1]" 1
653 1 10 TYR QE 1 55 GLU QB . . 4.830 3.367 2.412 4.825 . 0 0 "[ . 1]" 1
654 1 10 TYR QE 1 60 LEU QD . . 3.690 2.185 1.919 2.519 . 0 0 "[ . 1]" 1
655 1 12 ASP H 1 12 ASP QB . . 3.330 2.696 2.379 3.095 . 0 0 "[ . 1]" 1
656 1 14 GLU H 1 14 GLU QG . . 4.480 3.970 3.879 4.017 . 0 0 "[ . 1]" 1
657 1 14 GLU HA 1 14 GLU QG . . 3.370 2.734 2.424 3.043 . 0 0 "[ . 1]" 1
658 1 14 GLU QG 1 15 VAL H . . 3.710 2.600 2.259 2.842 . 0 0 "[ . 1]" 1
659 1 14 GLU QG 1 16 VAL MG1 . . 3.940 2.160 1.941 2.647 . 0 0 "[ . 1]" 1
660 1 15 VAL MG2 1 28 GLU QG . . 4.160 2.248 2.145 2.372 . 0 0 "[ . 1]" 1
661 1 15 VAL MG1 1 30 GLN QG . . 4.730 4.119 3.959 4.559 . 0 0 "[ . 1]" 1
662 1 16 VAL MG1 1 60 LEU QD . . 4.090 2.773 2.020 3.500 . 0 0 "[ . 1]" 1
663 1 17 MET H 1 17 MET QG . . 3.700 2.937 2.705 3.755 0.055 4 0 "[ . 1]" 1
664 1 17 MET H 1 59 ARG QB . . 4.780 4.006 3.517 4.712 . 0 0 "[ . 1]" 1
665 1 17 MET QB 1 26 TYR QD . . 4.280 2.926 2.177 3.805 . 0 0 "[ . 1]" 1
666 1 17 MET QB 1 59 ARG H . . 5.090 3.308 2.982 3.526 . 0 0 "[ . 1]" 1
667 1 17 MET ME 1 17 MET QG . . 3.500 2.418 2.391 2.453 . 0 0 "[ . 1]" 1
668 1 18 GLY HA3 1 58 ILE QG . . 5.120 3.227 2.912 3.570 . 0 0 "[ . 1]" 1
669 1 19 ARG H 1 19 ARG QB . . 3.230 2.232 2.175 2.305 . 0 0 "[ . 1]" 1
670 1 19 ARG H 1 19 ARG QG . . 4.830 3.959 3.931 4.004 . 0 0 "[ . 1]" 1
671 1 19 ARG H 1 57 ASP QB . . 4.110 2.728 2.108 3.944 . 0 0 "[ . 1]" 1
672 1 19 ARG HA 1 19 ARG QG . . 3.630 2.512 2.436 2.619 . 0 0 "[ . 1]" 1
673 1 19 ARG QB 1 19 ARG QD . . 3.330 2.226 2.066 2.372 . 0 0 "[ . 1]" 1
674 1 19 ARG QB 1 19 ARG HE . . 4.410 2.902 1.961 4.071 . 0 0 "[ . 1]" 1
675 1 19 ARG QB 1 20 TRP H . . 4.100 3.638 3.550 3.761 . 0 0 "[ . 1]" 1
676 1 19 ARG QB 1 26 TYR QD . . 5.290 3.378 3.180 3.602 . 0 0 "[ . 1]" 1
677 1 19 ARG QB 1 26 TYR QE . . 4.230 2.754 2.488 2.918 . 0 0 "[ . 1]" 1
678 1 19 ARG QB 1 57 ASP HA . . 4.660 2.927 2.478 3.866 . 0 0 "[ . 1]" 1
679 1 19 ARG QB 1 57 ASP QB . . 4.890 2.393 2.046 3.789 . 0 0 "[ . 1]" 1
680 1 19 ARG QG 1 24 VAL HA . . 4.490 2.837 2.407 3.054 . 0 0 "[ . 1]" 1
681 1 19 ARG QG 1 26 TYR QD . . 4.900 3.713 3.438 4.008 . 0 0 "[ . 1]" 1
682 1 19 ARG QG 1 26 TYR QE . . 4.090 3.478 3.255 3.634 . 0 0 "[ . 1]" 1
683 1 19 ARG QD 1 24 VAL HA . . 3.810 2.807 2.076 3.856 0.046 7 0 "[ . 1]" 1
684 1 19 ARG QD 1 26 TYR QE . . 4.190 3.231 2.590 4.210 0.020 1 0 "[ . 1]" 1
685 1 20 TRP H 1 20 TRP QB . . 3.160 2.311 2.263 2.353 . 0 0 "[ . 1]" 1
686 1 20 TRP HA 1 51 LEU QD . . 4.520 2.942 2.206 3.332 . 0 0 "[ . 1]" 1
687 1 20 TRP QB 1 27 TYR QD . . 4.030 2.583 2.368 3.365 . 0 0 "[ . 1]" 1
688 1 20 TRP HD1 1 21 PRO QG . . 5.330 3.993 3.621 4.537 . 0 0 "[ . 1]" 1
689 1 20 TRP HD1 1 21 PRO QD . . 4.630 3.612 3.251 3.929 . 0 0 "[ . 1]" 1
690 1 20 TRP HE3 1 51 LEU QD . . 5.410 3.514 2.673 3.960 . 0 0 "[ . 1]" 1
691 1 20 TRP HZ3 1 45 TYR QB . . 4.760 3.694 3.143 3.998 . 0 0 "[ . 1]" 1
692 1 20 TRP HZ3 1 51 LEU QD . . 4.420 3.712 3.162 4.178 . 0 0 "[ . 1]" 1
693 1 20 TRP HZ2 1 21 PRO QG . . 5.350 5.303 4.910 5.401 0.051 3 0 "[ . 1]" 1
694 1 20 TRP HZ2 1 51 LEU QD . . 4.630 3.989 3.128 4.663 0.033 8 0 "[ . 1]" 1
695 1 21 PRO QG 1 51 LEU QD . . 3.580 2.136 1.994 2.404 . 0 0 "[ . 1]" 1
696 1 21 PRO QD 1 45 TYR QE . . 5.350 4.489 4.309 4.621 . 0 0 "[ . 1]" 1
697 1 21 PRO QD 1 51 LEU QD . . 3.490 1.894 1.721 2.059 . 0 0 "[ . 1]" 1
698 1 21 PRO QD 1 53 LEU MD1 . . 5.310 5.206 4.843 5.414 0.104 8 0 "[ . 1]" 1
699 1 23 SER H 1 23 SER QB . . 3.340 2.541 2.385 2.904 . 0 0 "[ . 1]" 1
700 1 23 SER QB 1 24 VAL H . . 3.720 2.557 1.919 3.579 . 0 0 "[ . 1]" 1
701 1 23 SER QB 1 25 LEU H . . 3.710 2.555 2.209 3.171 . 0 0 "[ . 1]" 1
702 1 24 VAL H 1 24 VAL QG . . 3.310 2.236 1.959 2.817 . 0 0 "[ . 1]" 1
703 1 24 VAL QG 1 25 LEU H . . 3.830 3.155 2.818 3.756 . 0 0 "[ . 1]" 1
704 1 26 TYR H 1 26 TYR QB . . 3.360 2.436 2.363 2.618 . 0 0 "[ . 1]" 1
705 1 26 TYR QB 1 27 TYR H . . 3.840 3.127 2.867 3.461 . 0 0 "[ . 1]" 1
706 1 26 TYR QD 1 59 ARG QB . . 5.340 3.355 2.504 3.811 . 0 0 "[ . 1]" 1
707 1 27 TYR H 1 27 TYR QB . . 3.530 2.472 2.310 2.602 . 0 0 "[ . 1]" 1
708 1 27 TYR QB 1 28 GLU H . . 3.500 2.383 2.141 2.578 . 0 0 "[ . 1]" 1
709 1 27 TYR QB 1 45 TYR QD . . 4.230 3.129 2.677 3.486 . 0 0 "[ . 1]" 1
710 1 28 GLU H 1 28 GLU QG . . 4.510 3.994 3.955 4.015 . 0 0 "[ . 1]" 1
711 1 28 GLU HA 1 28 GLU QG . . 3.730 2.454 2.415 2.491 . 0 0 "[ . 1]" 1
712 1 28 GLU QG 1 29 VAL H . . 4.340 2.806 2.700 2.892 . 0 0 "[ . 1]" 1
713 1 29 VAL MG1 1 45 TYR QB . . 5.340 3.777 3.589 4.014 . 0 0 "[ . 1]" 1
714 1 30 GLN HA 1 30 GLN QG . . 3.700 2.476 2.411 2.660 . 0 0 "[ . 1]" 1
715 1 32 THR MG 1 44 LYS QB . . 3.390 2.779 2.281 3.104 . 0 0 "[ . 1]" 1
716 1 33 SER H 1 33 SER QB . . 3.600 2.854 2.783 2.946 . 0 0 "[ . 1]" 1
717 1 33 SER QB 1 34 TYR H . . 3.460 2.682 2.136 3.086 . 0 0 "[ . 1]" 1
718 1 34 TYR H 1 34 TYR QB . . 3.430 2.667 2.402 2.800 . 0 0 "[ . 1]" 1
719 1 34 TYR QB 1 41 TYR QD . . 4.440 3.088 2.483 3.765 . 0 0 "[ . 1]" 1
720 1 34 TYR QE 1 36 ASP QB . . 4.560 2.759 2.255 3.451 . 0 0 "[ . 1]" 1
721 1 34 TYR QE 1 39 HIS QB . . 4.990 3.496 2.999 4.352 . 0 0 "[ . 1]" 1
722 1 35 ASP QB 1 36 ASP H . . 4.240 3.758 3.717 3.808 . 0 0 "[ . 1]" 1
723 1 35 ASP QB 1 38 SER H . . 4.480 3.530 3.317 3.815 . 0 0 "[ . 1]" 1
724 1 35 ASP QB 1 39 HIS H . . 4.500 3.819 3.688 4.044 . 0 0 "[ . 1]" 1
725 1 35 ASP QB 1 40 LEU H . . 3.750 2.426 2.082 2.740 . 0 0 "[ . 1]" 1
726 1 36 ASP QB 1 37 ALA H . . 3.720 3.314 2.578 3.770 0.050 2 0 "[ . 1]" 1
727 1 38 SER H 1 38 SER QB . . 3.410 2.449 2.331 2.546 . 0 0 "[ . 1]" 1
728 1 38 SER HA 1 40 LEU QD . . 4.730 3.829 3.692 3.964 . 0 0 "[ . 1]" 1
729 1 38 SER QB 1 40 LEU H . . 4.590 3.806 3.194 4.444 . 0 0 "[ . 1]" 1
730 1 38 SER QB 1 40 LEU HG . . 4.320 4.063 3.457 4.344 0.024 6 0 "[ . 1]" 1
731 1 38 SER QB 1 40 LEU QD . . 3.620 2.001 1.862 2.219 . 0 0 "[ . 1]" 1
732 1 40 LEU H 1 40 LEU QB . . 3.320 2.509 2.302 2.788 . 0 0 "[ . 1]" 1
733 1 40 LEU H 1 40 LEU QD . . 4.030 3.055 2.903 3.298 . 0 0 "[ . 1]" 1
734 1 40 LEU HA 1 40 LEU QD . . 3.460 2.041 1.927 2.233 . 0 0 "[ . 1]" 1
735 1 40 LEU QB 1 41 TYR H . . 3.810 3.111 2.649 3.406 . 0 0 "[ . 1]" 1
736 1 40 LEU QB 1 52 ALA MB . . 4.650 2.305 1.963 2.679 . 0 0 "[ . 1]" 1
737 1 40 LEU QB 1 53 LEU H . . 4.390 3.879 3.463 4.140 . 0 0 "[ . 1]" 1
738 1 40 LEU QD 1 41 TYR H . . 4.190 3.218 2.958 3.738 . 0 0 "[ . 1]" 1
739 1 40 LEU QD 1 52 ALA H . . 5.440 4.851 4.582 5.377 . 0 0 "[ . 1]" 1
740 1 40 LEU QD 1 52 ALA MB . . 3.160 2.439 2.084 3.064 . 0 0 "[ . 1]" 1
741 1 40 LEU QD 1 53 LEU H . . 4.400 3.364 3.021 4.011 . 0 0 "[ . 1]" 1
742 1 41 TYR H 1 41 TYR QB . . 3.390 2.362 2.265 2.448 . 0 0 "[ . 1]" 1
743 1 41 TYR QB 1 42 THR H . . 3.850 3.263 3.111 3.399 . 0 0 "[ . 1]" 1
744 1 41 TYR QB 1 43 VAL MG1 . . 3.770 2.723 2.500 2.873 . 0 0 "[ . 1]" 1
745 1 41 TYR QB 1 53 LEU H . . 4.510 3.501 3.349 3.606 . 0 0 "[ . 1]" 1
746 1 41 TYR QB 1 53 LEU MD2 . . 4.850 4.489 4.288 4.653 . 0 0 "[ . 1]" 1
747 1 41 TYR QB 1 58 ILE MD . . 3.770 2.056 1.951 2.124 . 0 0 "[ . 1]" 1
748 1 41 TYR QD 1 55 GLU QG . . 5.340 4.164 3.330 5.359 0.019 2 0 "[ . 1]" 1
749 1 41 TYR QE 1 55 GLU QB . . 3.470 1.967 1.839 2.068 . 0 0 "[ . 1]" 1
750 1 41 TYR QE 1 55 GLU QG . . 4.300 3.049 2.266 3.901 . 0 0 "[ . 1]" 1
751 1 42 THR MG 1 50 GLU QB . . 3.690 2.494 2.230 2.735 . 0 0 "[ . 1]" 1
752 1 43 VAL MG2 1 51 LEU QD . . 4.000 3.089 2.767 3.499 . 0 0 "[ . 1]" 1
753 1 44 LYS HA 1 44 LYS QD . . 4.490 4.154 3.973 4.290 . 0 0 "[ . 1]" 1
754 1 44 LYS HA 1 50 GLU QB . . 4.580 3.168 2.514 3.913 . 0 0 "[ . 1]" 1
755 1 44 LYS HA 1 50 GLU QG . . 4.460 3.396 2.132 4.513 0.053 9 0 "[ . 1]" 1
756 1 44 LYS QB 1 45 TYR H . . 3.850 3.684 3.614 3.771 . 0 0 "[ . 1]" 1
757 1 44 LYS QG 1 50 GLU HA . . 5.020 3.595 3.004 4.060 . 0 0 "[ . 1]" 1
758 1 45 TYR H 1 45 TYR QB . . 3.240 2.268 2.188 2.335 . 0 0 "[ . 1]" 1
759 1 45 TYR QB 1 46 LYS H . . 4.100 2.495 2.343 2.717 . 0 0 "[ . 1]" 1
760 1 45 TYR QB 1 46 LYS QG . . 5.180 5.242 5.174 5.319 0.139 3 0 "[ . 1]" 1
761 1 45 TYR QB 1 47 ASP H . . 3.750 2.180 1.954 2.365 . 0 0 "[ . 1]" 1
762 1 45 TYR QB 1 48 GLY H . . 4.620 3.402 3.236 3.547 . 0 0 "[ . 1]" 1
763 1 45 TYR QB 1 49 THR H . . 4.610 3.315 2.947 3.762 . 0 0 "[ . 1]" 1
764 1 45 TYR QB 1 49 THR HB . . 4.050 2.729 2.225 3.311 . 0 0 "[ . 1]" 1
765 1 45 TYR QD 1 47 ASP QB . . 5.340 4.305 3.553 4.818 . 0 0 "[ . 1]" 1
766 1 45 TYR QD 1 51 LEU QD . . 5.270 3.762 3.362 4.053 . 0 0 "[ . 1]" 1
767 1 45 TYR QE 1 51 LEU QD . . 4.230 2.145 1.913 2.324 . 0 0 "[ . 1]" 1
768 1 46 LYS H 1 46 LYS QB . . 3.680 2.174 2.141 2.208 . 0 0 "[ . 1]" 1
769 1 46 LYS QB 1 47 ASP H . . 4.430 2.873 2.766 3.017 . 0 0 "[ . 1]" 1
770 1 46 LYS QG 1 47 ASP H . . 4.230 3.926 3.783 4.084 . 0 0 "[ . 1]" 1
771 1 47 ASP H 1 47 ASP QB . . 3.550 2.339 2.168 2.455 . 0 0 "[ . 1]" 1
772 1 47 ASP QB 1 49 THR H . . 4.740 2.859 2.606 3.090 . 0 0 "[ . 1]" 1
773 1 47 ASP QB 1 49 THR HB . . 4.480 3.242 3.036 3.509 . 0 0 "[ . 1]" 1
774 1 49 THR MG 1 51 LEU QD . . 3.820 3.669 3.223 3.859 0.039 9 0 "[ . 1]" 1
775 1 50 GLU H 1 50 GLU QG . . 3.850 2.845 2.081 3.646 . 0 0 "[ . 1]" 1
776 1 50 GLU HA 1 50 GLU QG . . 3.690 2.901 2.454 3.541 . 0 0 "[ . 1]" 1
777 1 50 GLU QB 1 51 LEU H . . 3.790 2.598 2.497 2.739 . 0 0 "[ . 1]" 1
778 1 50 GLU QG 1 51 LEU H . . 4.590 3.953 3.683 4.435 . 0 0 "[ . 1]" 1
779 1 51 LEU H 1 51 LEU QD . . 4.080 3.950 3.926 3.971 . 0 0 "[ . 1]" 1
780 1 51 LEU HA 1 51 LEU QD . . 3.530 2.142 2.077 2.198 . 0 0 "[ . 1]" 1
781 1 51 LEU QD 1 52 ALA H . . 4.000 2.495 2.320 2.701 . 0 0 "[ . 1]" 1
782 1 51 LEU QD 1 53 LEU MD1 . . 4.300 4.145 3.833 4.337 0.037 1 0 "[ . 1]" 1
783 1 53 LEU HB2 1 57 ASP QB . . 3.970 2.182 1.903 2.427 . 0 0 "[ . 1]" 1
784 1 53 LEU MD2 1 57 ASP QB . . 4.240 2.318 2.022 2.620 . 0 0 "[ . 1]" 1
785 1 53 LEU MD1 1 57 ASP QB . . 4.490 2.845 2.282 3.267 . 0 0 "[ . 1]" 1
786 1 54 LYS H 1 54 LYS QB . . 3.380 2.404 2.203 2.468 . 0 0 "[ . 1]" 1
787 1 54 LYS H 1 54 LYS QG . . 3.780 2.704 2.413 3.886 0.106 8 0 "[ . 1]" 1
788 1 54 LYS H 1 57 ASP QB . . 3.800 2.837 2.678 3.081 . 0 0 "[ . 1]" 1
789 1 54 LYS HA 1 54 LYS QG . . 3.740 2.485 2.256 2.994 . 0 0 "[ . 1]" 1
790 1 54 LYS QB 1 55 GLU H . . 3.560 2.508 2.206 3.451 . 0 0 "[ . 1]" 1
791 1 54 LYS QB 1 56 SER H . . 3.620 2.540 2.325 3.051 . 0 0 "[ . 1]" 1
792 1 54 LYS QG 1 55 GLU H . . 4.850 3.719 2.206 4.313 . 0 0 "[ . 1]" 1
793 1 55 GLU H 1 55 GLU QB . . 3.340 2.519 2.110 2.907 . 0 0 "[ . 1]" 1
794 1 55 GLU H 1 55 GLU QG . . 4.190 2.899 1.846 4.069 . 0 0 "[ . 1]" 1
795 1 55 GLU QG 1 56 SER H . . 4.300 3.369 2.193 4.190 . 0 0 "[ . 1]" 1
796 1 56 SER H 1 56 SER QB . . 3.380 2.436 2.289 2.488 . 0 0 "[ . 1]" 1
797 1 57 ASP H 1 57 ASP QB . . 3.280 2.402 2.298 2.461 . 0 0 "[ . 1]" 1
798 1 57 ASP QB 1 58 ILE H . . 4.280 3.372 3.143 3.612 . 0 0 "[ . 1]" 1
799 1 58 ILE H 1 58 ILE QG . . 3.680 2.613 2.504 2.741 . 0 0 "[ . 1]" 1
800 1 59 ARG H 1 59 ARG QB . . 3.630 2.628 2.504 2.726 . 0 0 "[ . 1]" 1
801 1 59 ARG HA 1 59 ARG QG . . 3.500 2.497 2.333 3.073 . 0 0 "[ . 1]" 1
802 1 59 ARG QB 1 60 LEU H . . 3.860 2.616 2.163 3.441 . 0 0 "[ . 1]" 1
803 1 60 LEU H 1 60 LEU QB . . 2.960 2.427 2.345 2.475 . 0 0 "[ . 1]" 1
804 1 60 LEU H 1 60 LEU QD . . 4.110 2.913 1.873 3.312 . 0 0 "[ . 1]" 1
805 1 60 LEU HA 1 60 LEU QD . . 3.540 2.264 2.030 3.039 . 0 0 "[ . 1]" 1
806 1 60 LEU QB 1 60 LEU QD . . 2.820 1.939 1.922 1.961 . 0 0 "[ . 1]" 1
807 1 60 LEU QB 1 61 GLN H . . 3.970 2.212 1.877 2.634 . 0 0 "[ . 1]" 1
808 1 60 LEU QD 1 61 GLN H . . 4.550 3.386 3.057 3.766 . 0 0 "[ . 1]" 1
809 1 61 GLN H 1 61 GLN QB . . 3.390 2.420 2.193 2.860 . 0 0 "[ . 1]" 1
810 1 61 GLN H 1 61 GLN QG . . 4.210 2.868 1.867 3.986 . 0 0 "[ . 1]" 1
811 1 61 GLN HA 1 61 GLN QG . . 3.540 2.707 2.360 3.390 . 0 0 "[ . 1]" 1
812 1 64 PHE H 1 64 PHE QB . . 3.610 2.588 2.166 3.223 . 0 0 "[ . 1]" 1
813 1 65 LYS H 1 65 LYS QG . . 4.780 3.389 2.030 4.145 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 320
_Distance_constraint_stats_list.Viol_total 412.118
_Distance_constraint_stats_list.Viol_max 0.362
_Distance_constraint_stats_list.Viol_rms 0.0988
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0937
_Distance_constraint_stats_list.Viol_average_violations_only 0.1288
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 GLU 1.331 0.180 4 0 "[ . 1]"
1 16 VAL 1.976 0.209 1 0 "[ . 1]"
1 17 MET 2.000 0.234 7 0 "[ . 1]"
1 18 GLY 2.781 0.165 9 0 "[ . 1]"
1 19 ARG 1.709 0.321 8 0 "[ . 1]"
1 20 TRP 3.107 0.306 6 0 "[ . 1]"
1 25 LEU 3.107 0.306 6 0 "[ . 1]"
1 27 TYR 2.781 0.165 9 0 "[ . 1]"
1 29 VAL 1.976 0.209 1 0 "[ . 1]"
1 30 GLN 5.741 0.362 4 0 "[ . 1]"
1 31 VAL 1.331 0.180 4 0 "[ . 1]"
1 32 THR 0.432 0.082 3 0 "[ . 1]"
1 33 SER 5.712 0.338 8 0 "[ . 1]"
1 35 ASP 5.056 0.302 7 0 "[ . 1]"
1 40 LEU 5.056 0.302 7 0 "[ . 1]"
1 41 TYR 2.733 0.205 6 0 "[ . 1]"
1 42 THR 6.144 0.338 8 0 "[ . 1]"
1 43 VAL 1.476 0.157 10 0 "[ . 1]"
1 44 LYS 5.741 0.362 4 0 "[ . 1]"
1 45 TYR 1.988 0.211 9 0 "[ . 1]"
1 49 THR 1.988 0.211 9 0 "[ . 1]"
1 51 LEU 1.476 0.157 10 0 "[ . 1]"
1 53 LEU 2.733 0.205 6 0 "[ . 1]"
1 55 GLU 5.170 0.293 8 0 "[ . 1]"
1 57 ASP 1.709 0.321 8 0 "[ . 1]"
1 58 ILE 5.170 0.293 8 0 "[ . 1]"
1 59 ARG 2.000 0.234 7 0 "[ . 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 16 VAL H 1 29 VAL O . . 1.800 1.823 1.781 1.861 0.061 10 0 "[ . 1]" 2
2 1 16 VAL N 1 29 VAL O . . 2.700 2.781 2.736 2.822 0.122 10 0 "[ . 1]" 2
3 1 17 MET H 1 59 ARG O . . 1.800 1.868 1.712 2.010 0.210 4 0 "[ . 1]" 2
4 1 17 MET N 1 59 ARG O . . 2.700 2.812 2.677 2.934 0.234 7 0 "[ . 1]" 2
5 1 18 GLY H 1 27 TYR O . . 1.800 1.824 1.776 1.895 0.095 6 0 "[ . 1]" 2
6 1 18 GLY N 1 27 TYR O . . 2.700 2.767 2.724 2.840 0.140 6 0 "[ . 1]" 2
7 1 18 GLY O 1 27 TYR H . . 1.800 1.861 1.805 1.954 0.154 2 0 "[ . 1]" 2
8 1 18 GLY O 1 27 TYR N . . 2.700 2.822 2.786 2.865 0.165 9 0 "[ . 1]" 2
9 1 14 GLU O 1 31 VAL H . . 1.800 1.832 1.779 1.901 0.101 10 0 "[ . 1]" 2
10 1 14 GLU O 1 31 VAL N . . 2.700 2.799 2.748 2.880 0.180 4 0 "[ . 1]" 2
11 1 32 THR H 1 42 THR O . . 1.800 1.780 1.718 1.836 0.036 3 0 "[ . 1]" 2
12 1 32 THR N 1 42 THR O . . 2.700 2.734 2.675 2.782 0.082 3 0 "[ . 1]" 2
13 1 33 SER H 1 42 THR O . . 1.800 2.023 1.977 2.068 0.268 8 0 "[ . 1]" 2
14 1 33 SER N 1 42 THR O . . 2.700 2.988 2.932 3.038 0.338 8 0 "[ . 1]" 2
15 1 35 ASP H 1 40 LEU O . . 1.800 1.735 1.680 1.833 0.033 9 0 "[ . 1]" 2
16 1 35 ASP N 1 40 LEU O . . 2.700 2.698 2.656 2.773 0.073 9 0 "[ . 1]" 2
17 1 35 ASP O 1 40 LEU H . . 1.800 2.044 1.992 2.102 0.302 7 0 "[ . 1]" 2
18 1 35 ASP O 1 40 LEU N . . 2.700 2.942 2.894 2.997 0.297 8 0 "[ . 1]" 2
19 1 41 TYR H 1 53 LEU O . . 1.800 1.735 1.668 1.816 0.016 4 0 "[ . 1]" 2
20 1 41 TYR N 1 53 LEU O . . 2.700 2.705 2.624 2.774 0.074 4 0 "[ . 1]" 2
21 1 33 SER O 1 42 THR H . . 1.800 1.817 1.754 1.908 0.108 3 0 "[ . 1]" 2
22 1 33 SER O 1 42 THR N . . 2.700 2.725 2.676 2.779 0.079 3 0 "[ . 1]" 2
23 1 43 VAL H 1 51 LEU O . . 1.800 1.732 1.671 1.795 . 0 0 "[ . 1]" 2
24 1 43 VAL N 1 51 LEU O . . 2.700 2.706 2.652 2.772 0.072 1 0 "[ . 1]" 2
25 1 30 GLN O 1 44 LYS H . . 1.800 1.786 1.719 1.846 0.046 10 0 "[ . 1]" 2
26 1 30 GLN O 1 44 LYS N . . 2.700 2.741 2.660 2.810 0.110 4 0 "[ . 1]" 2
27 1 16 VAL O 1 29 VAL H . . 1.800 1.789 1.723 1.925 0.125 1 0 "[ . 1]" 2
28 1 16 VAL O 1 29 VAL N . . 2.700 2.772 2.709 2.909 0.209 1 0 "[ . 1]" 2
29 1 43 VAL O 1 51 LEU H . . 1.800 1.836 1.781 1.913 0.113 10 0 "[ . 1]" 2
30 1 43 VAL O 1 51 LEU N . . 2.700 2.790 2.747 2.857 0.157 10 0 "[ . 1]" 2
31 1 41 TYR O 1 53 LEU H . . 1.800 1.893 1.858 1.938 0.138 6 0 "[ . 1]" 2
32 1 41 TYR O 1 53 LEU N . . 2.700 2.856 2.819 2.905 0.205 6 0 "[ . 1]" 2
33 1 17 MET O 1 59 ARG H . . 1.800 1.694 1.640 1.785 . 0 0 "[ . 1]" 2
34 1 17 MET O 1 59 ARG N . . 2.700 2.680 2.629 2.746 0.046 4 0 "[ . 1]" 2
35 1 55 GLU O 1 58 ILE H . . 1.800 2.045 2.007 2.077 0.277 8 0 "[ . 1]" 2
36 1 55 GLU O 1 58 ILE N . . 2.700 2.972 2.931 2.993 0.293 8 0 "[ . 1]" 2
37 1 45 TYR H 1 49 THR O . . 1.800 1.866 1.720 1.985 0.185 2 0 "[ . 1]" 2
38 1 45 TYR N 1 49 THR O . . 2.700 2.818 2.704 2.911 0.211 9 0 "[ . 1]" 2
39 1 19 ARG H 1 57 ASP O . . 1.800 1.862 1.743 2.045 0.245 8 0 "[ . 1]" 2
40 1 19 ARG N 1 57 ASP O . . 2.700 2.788 2.696 3.021 0.321 8 0 "[ . 1]" 2
41 1 30 GLN H 1 44 LYS O . . 1.800 2.023 1.902 2.094 0.294 4 0 "[ . 1]" 2
42 1 30 GLN N 1 44 LYS O . . 2.700 2.995 2.878 3.062 0.362 4 0 "[ . 1]" 2
43 1 20 TRP H 1 25 LEU O . . 1.800 1.925 1.722 2.047 0.247 6 0 "[ . 1]" 2
44 1 20 TRP N 1 25 LEU O . . 2.700 2.877 2.691 3.006 0.306 6 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 29, 2024 1:00:12 AM GMT (wattos1)