NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
404703 |
1x4b   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x4b
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 1170
_Distance_constraint_stats_list.Viol_count 1327
_Distance_constraint_stats_list.Viol_total 2341.432
_Distance_constraint_stats_list.Viol_max 0.949
_Distance_constraint_stats_list.Viol_rms 0.0410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0882
_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 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.298 0.154 17 0 "[ . 1 . 2]"
1 16 PRO 0.298 0.154 17 0 "[ . 1 . 2]"
1 17 LEU 0.583 0.221 11 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 7.126 0.669 17 4 "[ * . * - . + 2]"
1 25 GLU 0.555 0.094 12 0 "[ . 1 . 2]"
1 26 GLN 0.808 0.541 20 1 "[ . 1 . +]"
1 27 PHE 0.693 0.541 20 1 "[ . 1 . +]"
1 28 ARG 1.493 0.530 20 1 "[ . 1 . +]"
1 29 LYS 3.359 0.313 13 0 "[ . 1 . 2]"
1 30 LEU 8.997 0.525 18 2 "[- . 1 . + 2]"
1 31 PHE 0.154 0.034 3 0 "[ . 1 . 2]"
1 32 ILE 0.810 0.052 15 0 "[ . 1 . 2]"
1 33 GLY 1.406 0.092 18 0 "[ . 1 . 2]"
1 34 GLY 0.705 0.083 12 0 "[ . 1 . 2]"
1 35 LEU 2.070 0.305 17 0 "[ . 1 . 2]"
1 36 SER 1.454 0.143 5 0 "[ . 1 . 2]"
1 37 PHE 1.356 0.741 3 2 "[ + . -1 . 2]"
1 38 GLU 0.387 0.071 6 0 "[ . 1 . 2]"
1 39 THR 1.242 0.071 6 0 "[ . 1 . 2]"
1 40 THR 0.684 0.100 12 0 "[ . 1 . 2]"
1 41 GLU 3.882 0.788 16 2 "[ . 1 * .+ 2]"
1 42 GLU 1.710 0.725 12 2 "[ . 1 + .- 2]"
1 43 SER 0.176 0.037 5 0 "[ . 1 . 2]"
1 44 LEU 0.141 0.025 17 0 "[ . 1 . 2]"
1 45 ARG 0.923 0.155 11 0 "[ . 1 . 2]"
1 46 ASN 0.303 0.155 11 0 "[ . 1 . 2]"
1 47 TYR 0.661 0.307 14 0 "[ . 1 . 2]"
1 48 TYR 0.411 0.038 14 0 "[ . 1 . 2]"
1 49 GLU 0.574 0.041 8 0 "[ . 1 . 2]"
1 50 GLN 3.433 0.325 13 0 "[ . 1 . 2]"
1 51 TRP 0.583 0.325 13 0 "[ . 1 . 2]"
1 52 GLY 0.682 0.309 14 0 "[ . 1 . 2]"
1 53 LYS 11.965 0.801 8 10 "[* ** +*1 ** * *-2]"
1 54 LEU 1.048 0.093 15 0 "[ . 1 . 2]"
1 55 THR 0.557 0.219 15 0 "[ . 1 . 2]"
1 56 ASP 0.006 0.006 15 0 "[ . 1 . 2]"
1 57 CYS 0.957 0.143 20 0 "[ . 1 . 2]"
1 58 VAL 3.191 0.517 16 1 "[ . 1 .+ 2]"
1 59 VAL 3.433 0.788 16 3 "[ * - 1 .+ 2]"
1 60 MET 0.358 0.051 13 0 "[ . 1 . 2]"
1 61 ARG 2.375 0.530 13 1 "[ . 1 + . 2]"
1 62 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 5.927 0.368 2 0 "[ . 1 . 2]"
1 64 ALA 5.531 0.368 2 0 "[ . 1 . 2]"
1 65 SER 4.735 0.593 16 2 "[ . 1 -+ 2]"
1 66 LYS 11.343 0.896 1 8 "[+ .* * * ** * -2]"
1 67 ARG 6.342 0.593 16 2 "[ . 1 -+ 2]"
1 68 SER 2.721 0.741 3 3 "[ + * -1 . 2]"
1 69 ARG 1.999 0.378 15 0 "[ . 1 . 2]"
1 70 GLY 0.062 0.026 12 0 "[ . 1 . 2]"
1 71 PHE 2.361 0.378 15 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 2.803 0.313 13 0 "[ . 1 . 2]"
1 74 VAL 1.256 0.061 7 0 "[ . 1 . 2]"
1 75 THR 0.046 0.019 14 0 "[ . 1 . 2]"
1 76 PHE 0.338 0.033 20 0 "[ . 1 . 2]"
1 77 SER 12.365 0.801 8 10 "[* ** +*1 ** * *-2]"
1 78 SER 0.613 0.613 19 1 "[ . 1 . +2]"
1 79 MET 0.411 0.052 14 0 "[ . 1 . 2]"
1 80 ALA 0.727 0.613 19 1 "[ . 1 . +2]"
1 81 GLU 1.061 0.309 14 0 "[ . 1 . 2]"
1 82 VAL 0.705 0.139 14 0 "[ . 1 . 2]"
1 83 ASP 7.214 0.949 18 8 "[ * .-* 1 * ** *+ 2]"
1 84 ALA 0.400 0.081 14 0 "[ . 1 . 2]"
1 85 ALA 0.320 0.287 18 0 "[ . 1 . 2]"
1 86 MET 14.245 0.949 18 8 "[ * .-* 1 * ** *+ 2]"
1 87 ALA 0.381 0.163 18 0 "[ . 1 . 2]"
1 88 ALA 0.094 0.021 17 0 "[ . 1 . 2]"
1 89 ARG 5.318 0.366 8 0 "[ . 1 . 2]"
1 90 PRO 5.863 0.366 8 0 "[ . 1 . 2]"
1 91 HIS 0.092 0.035 18 0 "[ . 1 . 2]"
1 92 SER 0.692 0.087 19 0 "[ . 1 . 2]"
1 93 ILE 0.744 0.087 19 0 "[ . 1 . 2]"
1 94 ASP 0.119 0.039 20 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ARG 6.998 0.806 10 3 "[ - . *+ . 2]"
1 97 VAL 6.360 0.806 10 3 "[ - . *+ . 2]"
1 98 VAL 1.843 0.285 20 0 "[ . 1 . 2]"
1 99 GLU 2.352 0.208 18 0 "[ . 1 . 2]"
1 100 PRO 3.211 0.209 13 0 "[ . 1 . 2]"
1 101 LYS 1.124 0.208 19 0 "[ . 1 . 2]"
1 102 ARG 3.396 0.705 18 2 "[- . 1 . + 2]"
1 103 ALA 1.292 0.091 12 0 "[ . 1 . 2]"
1 104 VAL 0.336 0.047 18 0 "[ . 1 . 2]"
1 105 ALA 0.048 0.047 18 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 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 31 PHE HA 1 32 ILE H . . 3.560 2.211 2.198 2.232 . 0 0 "[ . 1 . 2]" 1
2 1 30 LEU H 1 30 LEU HB2 . . 3.830 2.341 2.222 2.933 . 0 0 "[ . 1 . 2]" 1
3 1 75 THR HA 1 76 PHE H . . 3.540 2.178 2.154 2.207 . 0 0 "[ . 1 . 2]" 1
4 1 76 PHE H 1 76 PHE QD . . 3.870 2.543 2.172 2.765 . 0 0 "[ . 1 . 2]" 1
5 1 58 VAL HA 1 59 VAL H . . 3.090 2.252 2.206 2.281 . 0 0 "[ . 1 . 2]" 1
6 1 58 VAL MG1 1 59 VAL H . . 3.570 2.238 2.108 2.530 . 0 0 "[ . 1 . 2]" 1
7 1 15 VAL H 1 15 VAL HB . . 4.100 3.662 3.485 3.912 . 0 0 "[ . 1 . 2]" 1
8 1 53 LYS HA 1 54 LEU H . . 3.520 2.181 2.176 2.201 . 0 0 "[ . 1 . 2]" 1
9 1 54 LEU H 1 54 LEU HG . . 3.670 2.001 1.943 2.157 . 0 0 "[ . 1 . 2]" 1
10 1 96 ARG HA 1 97 VAL H . . 3.470 2.481 2.305 2.583 . 0 0 "[ . 1 . 2]" 1
11 1 43 SER H 1 44 LEU H . . 4.000 2.985 2.755 3.152 . 0 0 "[ . 1 . 2]" 1
12 1 83 ASP HB3 1 84 ALA H . . 3.760 3.136 2.688 3.612 . 0 0 "[ . 1 . 2]" 1
13 1 102 ARG H 1 102 ARG HB2 . . 4.050 2.229 2.028 3.534 . 0 0 "[ . 1 . 2]" 1
14 1 102 ARG H 1 102 ARG HB3 . . 3.420 3.206 2.347 3.528 0.108 14 0 "[ . 1 . 2]" 1
15 1 97 VAL HA 1 98 VAL H . . 3.480 2.251 2.181 2.423 . 0 0 "[ . 1 . 2]" 1
16 1 98 VAL H 1 98 VAL MG1 . . 3.460 2.064 1.922 2.384 . 0 0 "[ . 1 . 2]" 1
17 1 93 ILE H 1 96 ARG H . . 4.200 2.973 2.391 3.430 . 0 0 "[ . 1 . 2]" 1
18 1 93 ILE H 1 93 ILE QG . . 3.880 2.705 2.527 2.893 . 0 0 "[ . 1 . 2]" 1
19 1 56 ASP HA 1 57 CYS H . . 2.920 2.264 2.252 2.319 . 0 0 "[ . 1 . 2]" 1
20 1 86 MET H 1 87 ALA H . . 4.110 2.833 2.613 2.996 . 0 0 "[ . 1 . 2]" 1
21 1 60 MET QB 1 61 ARG H . . 3.850 2.888 2.672 3.111 . 0 0 "[ . 1 . 2]" 1
22 1 61 ARG H 1 61 ARG HG2 . . 4.190 3.955 3.533 4.379 0.189 8 0 "[ . 1 . 2]" 1
23 1 28 ARG H 1 29 LYS H . . 3.630 2.548 2.107 3.214 . 0 0 "[ . 1 . 2]" 1
24 1 87 ALA H 1 88 ALA H . . 3.640 3.137 2.701 3.341 . 0 0 "[ . 1 . 2]" 1
25 1 29 LYS H 1 29 LYS QB . . 3.410 2.386 2.189 2.660 . 0 0 "[ . 1 . 2]" 1
26 1 67 ARG H 1 67 ARG QG . . 3.150 2.809 2.446 3.088 . 0 0 "[ . 1 . 2]" 1
27 1 98 VAL HA 1 99 GLU H . . 3.530 2.672 2.432 2.805 . 0 0 "[ . 1 . 2]" 1
28 1 98 VAL MG2 1 99 GLU H . . 3.700 2.535 2.095 3.132 . 0 0 "[ . 1 . 2]" 1
29 1 53 LYS H 1 77 SER HB3 . . 3.500 3.806 3.391 4.301 0.801 8 8 "[* . +*1 *- * **2]" 1
30 1 96 ARG H 1 96 ARG QG . . 3.360 2.548 2.125 3.491 0.131 11 0 "[ . 1 . 2]" 1
31 1 95 GLY H 1 96 ARG H . . 3.430 2.448 2.235 2.672 . 0 0 "[ . 1 . 2]" 1
32 1 52 GLY HA2 1 53 LYS H . . 3.390 2.421 2.340 2.511 . 0 0 "[ . 1 . 2]" 1
33 1 52 GLY HA3 1 53 LYS H . . 3.380 2.844 2.736 2.951 . 0 0 "[ . 1 . 2]" 1
34 1 53 LYS H 1 53 LYS QB . . 3.200 2.148 2.080 2.255 . 0 0 "[ . 1 . 2]" 1
35 1 75 THR H 1 75 THR HB . . 3.510 2.659 2.545 2.778 . 0 0 "[ . 1 . 2]" 1
36 1 74 VAL HA 1 75 THR H . . 3.110 2.186 2.183 2.195 . 0 0 "[ . 1 . 2]" 1
37 1 81 GLU H 1 81 GLU QG . . 3.510 2.168 1.896 2.639 . 0 0 "[ . 1 . 2]" 1
38 1 39 THR H 1 39 THR HB . . 3.280 2.256 2.087 2.435 . 0 0 "[ . 1 . 2]" 1
39 1 35 LEU HB3 1 39 THR H . . 4.380 3.679 3.008 4.383 0.003 7 0 "[ . 1 . 2]" 1
40 1 41 GLU HB2 1 42 GLU H . . 3.540 2.453 2.287 3.153 . 0 0 "[ . 1 . 2]" 1
41 1 87 ALA HA 1 89 ARG H . . 3.950 3.548 3.298 3.965 0.015 13 0 "[ . 1 . 2]" 1
42 1 89 ARG H 1 89 ARG HB2 . . 3.370 2.208 2.136 2.378 . 0 0 "[ . 1 . 2]" 1
43 1 49 GLU H 1 49 GLU HB3 . . 3.490 3.386 3.282 3.431 . 0 0 "[ . 1 . 2]" 1
44 1 82 VAL H 1 83 ASP H . . 3.970 2.818 2.256 2.930 . 0 0 "[ . 1 . 2]" 1
45 1 28 ARG H 1 29 LYS QB . . 3.870 3.783 3.598 3.881 0.011 11 0 "[ . 1 . 2]" 1
46 1 47 TYR H 1 47 TYR HB2 . . 3.450 2.405 2.221 2.600 . 0 0 "[ . 1 . 2]" 1
47 1 81 GLU H 1 82 VAL H . . 3.910 3.058 2.616 3.175 . 0 0 "[ . 1 . 2]" 1
48 1 50 GLN H 1 50 GLN HB2 . . 3.370 3.197 2.441 3.598 0.228 10 0 "[ . 1 . 2]" 1
49 1 49 GLU H 1 50 GLN H . . 4.210 2.112 2.087 2.173 . 0 0 "[ . 1 . 2]" 1
50 1 50 GLN H 1 51 TRP H . . 3.730 2.616 2.419 2.886 . 0 0 "[ . 1 . 2]" 1
51 1 77 SER H 1 78 SER H . . 4.080 2.377 2.058 2.649 . 0 0 "[ . 1 . 2]" 1
52 1 77 SER H 1 77 SER HB2 . . 3.840 2.794 2.265 3.441 . 0 0 "[ . 1 . 2]" 1
53 1 26 GLN H 1 26 GLN QG . . 3.840 2.369 1.952 3.909 0.069 20 0 "[ . 1 . 2]" 1
54 1 43 SER H 1 43 SER HB2 . . 3.800 2.365 2.136 2.473 . 0 0 "[ . 1 . 2]" 1
55 1 43 SER H 1 43 SER HB3 . . 3.790 3.544 3.430 3.571 . 0 0 "[ . 1 . 2]" 1
56 1 48 TYR H 1 48 TYR HB2 . . 3.630 2.064 2.021 2.154 . 0 0 "[ . 1 . 2]" 1
57 1 38 GLU H 1 39 THR H . . 3.680 2.432 2.133 2.840 . 0 0 "[ . 1 . 2]" 1
58 1 103 ALA H 1 104 VAL H . . 3.920 2.923 2.287 3.583 . 0 0 "[ . 1 . 2]" 1
59 1 34 GLY H 1 35 LEU H . . 4.150 2.585 1.847 3.255 . 0 0 "[ . 1 . 2]" 1
60 1 35 LEU H 1 35 LEU HG . . 3.510 3.003 2.659 3.815 0.305 17 0 "[ . 1 . 2]" 1
61 1 72 GLY HA2 1 73 PHE H . . 3.330 2.866 2.812 2.898 . 0 0 "[ . 1 . 2]" 1
62 1 85 ALA H 1 86 MET H . . 3.750 2.840 2.536 3.057 . 0 0 "[ . 1 . 2]" 1
63 1 83 ASP HA 1 86 MET H . . 4.400 3.573 3.340 3.843 . 0 0 "[ . 1 . 2]" 1
64 1 36 SER H 1 36 SER HB3 . . 3.360 3.296 3.206 3.457 0.097 15 0 "[ . 1 . 2]" 1
65 1 54 LEU HA 1 55 THR H . . 3.570 2.192 2.176 2.222 . 0 0 "[ . 1 . 2]" 1
66 1 55 THR H 1 56 ASP H . . 3.520 2.585 2.183 2.853 . 0 0 "[ . 1 . 2]" 1
67 1 46 ASN H 1 46 ASN HB3 . . 3.340 2.564 2.360 2.906 . 0 0 "[ . 1 . 2]" 1
68 1 77 SER HB3 1 78 SER H . . 3.670 2.823 2.372 3.397 . 0 0 "[ . 1 . 2]" 1
69 1 63 PRO HD2 1 65 SER H . . 3.900 3.865 3.381 4.041 0.141 17 0 "[ . 1 . 2]" 1
70 1 64 ALA MB 1 65 SER H . . 3.910 2.612 2.421 2.743 . 0 0 "[ . 1 . 2]" 1
71 1 70 GLY H 1 71 PHE H . . 3.870 2.017 1.893 2.181 . 0 0 "[ . 1 . 2]" 1
72 1 49 GLU HA 1 52 GLY H . . 3.770 3.291 2.909 3.536 . 0 0 "[ . 1 . 2]" 1
73 1 30 LEU H 1 30 LEU MD2 . . 4.410 4.049 2.067 4.439 0.029 15 0 "[ . 1 . 2]" 1
74 1 29 LYS HG3 1 30 LEU H . . 4.190 3.915 2.807 4.306 0.116 20 0 "[ . 1 . 2]" 1
75 1 30 LEU H 1 75 THR HA . . 3.980 3.562 3.308 3.981 0.001 2 0 "[ . 1 . 2]" 1
76 1 29 LYS H 1 29 LYS QD . . 4.910 4.282 3.823 4.926 0.016 17 0 "[ . 1 . 2]" 1
77 1 28 ARG H 1 28 ARG HG3 . . 4.490 2.818 2.058 3.742 . 0 0 "[ . 1 . 2]" 1
78 1 27 PHE HB3 1 28 ARG H . . 5.030 3.071 2.834 3.593 . 0 0 "[ . 1 . 2]" 1
79 1 30 LEU HB2 1 31 PHE H . . 4.790 4.179 3.562 4.522 . 0 0 "[ . 1 . 2]" 1
80 1 31 PHE H 1 31 PHE QD . . 4.860 4.087 3.952 4.160 . 0 0 "[ . 1 . 2]" 1
81 1 30 LEU H 1 31 PHE H . . 4.670 4.509 4.407 4.546 . 0 0 "[ . 1 . 2]" 1
82 1 32 ILE H 1 73 PHE HA . . 4.300 2.793 2.668 2.906 . 0 0 "[ . 1 . 2]" 1
83 1 32 ILE H 1 71 PHE QD . . 4.690 4.577 4.376 4.698 0.008 5 0 "[ . 1 . 2]" 1
84 1 31 PHE QD 1 33 GLY H . . 4.700 4.035 3.530 4.280 . 0 0 "[ . 1 . 2]" 1
85 1 33 GLY H 1 99 GLU H . . 4.370 3.229 2.961 3.501 . 0 0 "[ . 1 . 2]" 1
86 1 35 LEU H 1 35 LEU QD . . 3.940 2.625 1.833 2.977 . 0 0 "[ . 1 . 2]" 1
87 1 35 LEU QD 1 36 SER H . . 4.100 4.004 3.815 4.088 . 0 0 "[ . 1 . 2]" 1
88 1 35 LEU HB3 1 36 SER H . . 4.410 4.426 4.224 4.553 0.143 5 0 "[ . 1 . 2]" 1
89 1 38 GLU HB3 1 39 THR H . . 4.350 3.170 2.225 4.414 0.064 5 0 "[ . 1 . 2]" 1
90 1 40 THR MG 1 42 GLU H . . 4.780 4.737 4.607 4.880 0.100 12 0 "[ . 1 . 2]" 1
91 1 40 THR HA 1 42 GLU H . . 5.000 4.863 4.404 5.012 0.012 18 0 "[ . 1 . 2]" 1
92 1 41 GLU H 1 42 GLU H . . 4.290 2.895 2.679 3.265 . 0 0 "[ . 1 . 2]" 1
93 1 45 ARG QG 1 46 ASN H . . 5.230 4.202 3.805 4.443 . 0 0 "[ . 1 . 2]" 1
94 1 45 ARG HB3 1 46 ASN H . . 4.220 3.259 2.835 3.750 . 0 0 "[ . 1 . 2]" 1
95 1 46 ASN H 1 47 TYR H . . 4.250 2.821 2.739 2.896 . 0 0 "[ . 1 . 2]" 1
96 1 47 TYR H 1 93 ILE MD . . 4.800 4.560 4.146 4.804 0.004 5 0 "[ . 1 . 2]" 1
97 1 47 TYR H 1 47 TYR QD . . 4.710 4.105 4.053 4.133 . 0 0 "[ . 1 . 2]" 1
98 1 47 TYR H 1 48 TYR H . . 3.500 2.322 2.251 2.447 . 0 0 "[ . 1 . 2]" 1
99 1 47 TYR H 1 49 GLU H . . 5.450 3.741 3.677 3.876 . 0 0 "[ . 1 . 2]" 1
100 1 50 GLN HB2 1 51 TRP H . . 4.800 3.359 2.209 4.431 . 0 0 "[ . 1 . 2]" 1
101 1 51 TRP H 1 52 GLY H . . 3.240 2.519 1.971 2.822 . 0 0 "[ . 1 . 2]" 1
102 1 52 GLY H 1 53 LYS H . . 4.430 4.319 4.274 4.364 . 0 0 "[ . 1 . 2]" 1
103 1 53 LYS H 1 76 PHE QD . . 4.200 3.823 3.389 4.208 0.008 15 0 "[ . 1 . 2]" 1
104 1 54 LEU MD2 1 55 THR H . . 5.070 3.914 3.700 4.091 . 0 0 "[ . 1 . 2]" 1
105 1 54 LEU HB2 1 55 THR H . . 4.420 4.323 4.129 4.441 0.021 5 0 "[ . 1 . 2]" 1
106 1 57 CYS H 1 58 VAL MG2 . . 4.220 3.843 3.742 3.985 . 0 0 "[ . 1 . 2]" 1
107 1 57 CYS QB 1 58 VAL H . . 4.310 3.608 3.320 3.905 . 0 0 "[ . 1 . 2]" 1
108 1 58 VAL H 1 59 VAL H . . 4.930 4.413 4.325 4.481 . 0 0 "[ . 1 . 2]" 1
109 1 59 VAL H 1 60 MET ME . . 4.410 3.630 3.466 3.796 . 0 0 "[ . 1 . 2]" 1
110 1 41 GLU HG2 1 59 VAL H . . 4.970 2.931 2.601 3.881 . 0 0 "[ . 1 . 2]" 1
111 1 66 LYS H 1 66 LYS HG3 . . 4.190 4.176 2.946 4.863 0.673 6 4 "[ .+ 1 ** -2]" 1
112 1 62 ASP H 1 67 ARG H . . 4.680 3.212 2.700 3.895 . 0 0 "[ . 1 . 2]" 1
113 1 65 SER H 1 67 ARG H . . 4.270 4.200 3.913 4.369 0.099 16 0 "[ . 1 . 2]" 1
114 1 67 ARG QG 1 68 SER H . . 4.520 4.245 3.799 4.541 0.021 15 0 "[ . 1 . 2]" 1
115 1 61 ARG HG3 1 69 ARG H . . 4.720 4.196 3.452 4.756 0.036 12 0 "[ . 1 . 2]" 1
116 1 61 ARG HA 1 69 ARG H . . 4.720 1.978 1.932 2.356 . 0 0 "[ . 1 . 2]" 1
117 1 69 ARG H 1 70 GLY H . . 4.140 2.344 2.071 2.594 . 0 0 "[ . 1 . 2]" 1
118 1 71 PHE HB3 1 72 GLY H . . 4.680 4.243 4.164 4.343 . 0 0 "[ . 1 . 2]" 1
119 1 58 VAL MG1 1 73 PHE H . . 4.060 3.505 3.379 3.651 . 0 0 "[ . 1 . 2]" 1
120 1 73 PHE H 1 73 PHE QD . . 4.660 2.414 1.992 2.792 . 0 0 "[ . 1 . 2]" 1
121 1 58 VAL H 1 73 PHE H . . 3.950 2.692 2.491 2.878 . 0 0 "[ . 1 . 2]" 1
122 1 30 LEU HB2 1 74 VAL H . . 4.690 3.701 3.451 4.191 . 0 0 "[ . 1 . 2]" 1
123 1 30 LEU H 1 74 VAL H . . 4.250 2.654 2.444 2.813 . 0 0 "[ . 1 . 2]" 1
124 1 56 ASP H 1 75 THR H . . 3.800 2.958 2.817 3.166 . 0 0 "[ . 1 . 2]" 1
125 1 75 THR H 1 76 PHE H . . 5.380 4.240 4.117 4.351 . 0 0 "[ . 1 . 2]" 1
126 1 28 ARG QB 1 76 PHE H . . 4.500 3.235 2.832 3.502 . 0 0 "[ . 1 . 2]" 1
127 1 76 PHE QD 1 77 SER H . . 4.480 3.033 2.812 3.383 . 0 0 "[ . 1 . 2]" 1
128 1 78 SER H 1 81 GLU HB2 . . 4.290 3.207 2.707 3.454 . 0 0 "[ . 1 . 2]" 1
129 1 76 PHE QD 1 78 SER H . . 4.460 4.074 3.768 4.354 . 0 0 "[ . 1 . 2]" 1
130 1 80 ALA H 1 81 GLU H . . 4.290 2.752 2.190 3.017 . 0 0 "[ . 1 . 2]" 1
131 1 79 MET HA 1 82 VAL H . . 4.010 3.755 3.560 3.854 . 0 0 "[ . 1 . 2]" 1
132 1 82 VAL HB 1 83 ASP H . . 5.190 3.982 3.879 4.153 . 0 0 "[ . 1 . 2]" 1
133 1 79 MET HG3 1 83 ASP H . . 4.340 4.222 3.875 4.392 0.052 14 0 "[ . 1 . 2]" 1
134 1 83 ASP H 1 84 ALA H . . 4.040 2.690 2.570 2.765 . 0 0 "[ . 1 . 2]" 1
135 1 81 GLU HA 1 85 ALA H . . 4.810 4.425 4.123 4.581 . 0 0 "[ . 1 . 2]" 1
136 1 86 MET HB3 1 87 ALA H . . 4.510 3.590 3.285 3.962 . 0 0 "[ . 1 . 2]" 1
137 1 89 ARG H 1 89 ARG HG2 . . 4.470 3.801 3.092 4.350 . 0 0 "[ . 1 . 2]" 1
138 1 88 ALA H 1 89 ARG H . . 3.520 2.368 1.887 2.808 . 0 0 "[ . 1 . 2]" 1
139 1 89 ARG HG2 1 91 HIS H . . 4.850 3.429 2.932 4.416 . 0 0 "[ . 1 . 2]" 1
140 1 89 ARG HB3 1 91 HIS H . . 5.030 4.521 3.991 4.659 . 0 0 "[ . 1 . 2]" 1
141 1 92 SER H 1 98 VAL MG2 . . 4.710 4.135 3.956 4.315 . 0 0 "[ . 1 . 2]" 1
142 1 91 HIS HB2 1 92 SER H . . 4.600 4.454 4.012 4.635 0.035 18 0 "[ . 1 . 2]" 1
143 1 93 ILE H 1 97 VAL HA . . 4.700 3.785 3.495 4.109 . 0 0 "[ . 1 . 2]" 1
144 1 94 ASP H 1 95 GLY H . . 4.180 2.628 2.584 2.682 . 0 0 "[ . 1 . 2]" 1
145 1 96 ARG H 1 98 VAL MG1 . . 5.060 4.001 3.759 4.354 . 0 0 "[ . 1 . 2]" 1
146 1 92 SER HA 1 96 ARG H . . 4.770 4.368 3.923 4.803 0.033 8 0 "[ . 1 . 2]" 1
147 1 99 GLU H 1 100 PRO HD2 . . 4.600 4.687 4.649 4.808 0.208 18 0 "[ . 1 . 2]" 1
148 1 100 PRO HG3 1 101 LYS H . . 5.420 5.391 5.295 5.594 0.174 17 0 "[ . 1 . 2]" 1
149 1 31 PHE H 1 101 LYS H . . 4.830 3.159 2.506 3.596 . 0 0 "[ . 1 . 2]" 1
150 1 102 ARG HB2 1 103 ALA H . . 4.450 3.783 3.013 4.541 0.091 12 0 "[ . 1 . 2]" 1
151 1 30 LEU HA 1 103 ALA H . . 4.450 3.537 2.069 4.472 0.022 9 0 "[ . 1 . 2]" 1
152 1 31 PHE H 1 103 ALA H . . 4.670 3.433 2.653 3.907 . 0 0 "[ . 1 . 2]" 1
153 1 104 VAL QG 1 105 ALA H . . 4.430 2.644 1.886 3.458 . 0 0 "[ . 1 . 2]" 1
154 1 105 ALA MB 1 106 ARG H . . 4.780 2.965 1.983 3.785 . 0 0 "[ . 1 . 2]" 1
155 1 15 VAL H 1 15 VAL MG2 . . 4.070 2.457 1.915 3.952 . 0 0 "[ . 1 . 2]" 1
156 1 46 ASN HD21 1 47 TYR HB2 . . 4.220 3.778 2.917 4.230 0.010 19 0 "[ . 1 . 2]" 1
157 1 31 PHE H 1 32 ILE H . . 4.350 4.258 4.092 4.384 0.034 3 0 "[ . 1 . 2]" 1
158 1 31 PHE H 1 101 LYS HB2 . . 5.180 3.337 3.085 3.680 . 0 0 "[ . 1 . 2]" 1
159 1 29 LYS H 1 29 LYS HG3 . . 4.830 4.727 4.380 5.003 0.173 2 0 "[ . 1 . 2]" 1
160 1 27 PHE H 1 27 PHE QD . . 4.180 2.743 2.299 3.087 . 0 0 "[ . 1 . 2]" 1
161 1 27 PHE H 1 28 ARG H . . 3.830 2.686 2.405 3.061 . 0 0 "[ . 1 . 2]" 1
162 1 26 GLN H 1 27 PHE H . . 4.540 2.744 2.592 3.148 . 0 0 "[ . 1 . 2]" 1
163 1 25 GLU HB3 1 26 GLN H . . 3.630 2.429 2.060 3.610 . 0 0 "[ . 1 . 2]" 1
164 1 32 ILE HB 1 33 GLY H . . 4.710 4.082 3.993 4.226 . 0 0 "[ . 1 . 2]" 1
165 1 38 GLU H 1 39 THR HB . . 4.050 3.921 3.654 4.121 0.071 6 0 "[ . 1 . 2]" 1
166 1 38 GLU HB2 1 39 THR H . . 4.560 3.215 2.345 4.291 . 0 0 "[ . 1 . 2]" 1
167 1 41 GLU HG3 1 42 GLU H . . 4.170 4.236 4.082 4.895 0.725 12 2 "[ . 1 + .- 2]" 1
168 1 40 THR H 1 43 SER H . . 3.720 3.675 3.534 3.727 0.007 12 0 "[ . 1 . 2]" 1
169 1 42 GLU H 1 43 SER H . . 3.380 2.942 2.824 3.081 . 0 0 "[ . 1 . 2]" 1
170 1 41 GLU HA 1 44 LEU H . . 5.350 3.815 3.436 4.071 . 0 0 "[ . 1 . 2]" 1
171 1 44 LEU HB2 1 45 ARG H . . 4.210 3.924 3.736 4.121 . 0 0 "[ . 1 . 2]" 1
172 1 45 ARG H 1 45 ARG HB2 . . 3.400 2.304 2.040 2.688 . 0 0 "[ . 1 . 2]" 1
173 1 48 TYR H 1 49 GLU H . . 4.000 2.861 2.784 3.003 . 0 0 "[ . 1 . 2]" 1
174 1 49 GLU HB3 1 50 GLN H . . 4.780 3.654 3.229 3.844 . 0 0 "[ . 1 . 2]" 1
175 1 48 TYR HA 1 50 GLN H . . 4.830 3.661 3.395 4.298 . 0 0 "[ . 1 . 2]" 1
176 1 48 TYR H 1 50 GLN H . . 5.200 4.696 4.588 4.919 . 0 0 "[ . 1 . 2]" 1
177 1 49 GLU HA 1 51 TRP H . . 5.090 4.372 3.485 4.953 . 0 0 "[ . 1 . 2]" 1
178 1 52 GLY H 1 53 LYS QE . . 4.950 4.751 4.486 4.940 . 0 0 "[ . 1 . 2]" 1
179 1 54 LEU HB3 1 55 THR H . . 4.500 3.691 3.257 3.937 . 0 0 "[ . 1 . 2]" 1
180 1 55 THR H 1 76 PHE HA . . 4.260 3.099 2.816 3.335 . 0 0 "[ . 1 . 2]" 1
181 1 56 ASP HB3 1 57 CYS H . . 4.610 3.883 3.471 4.233 . 0 0 "[ . 1 . 2]" 1
182 1 57 CYS H 1 58 VAL H . . 4.190 4.237 4.192 4.333 0.143 20 0 "[ . 1 . 2]" 1
183 1 58 VAL H 1 74 VAL MG1 . . 4.320 3.869 3.603 4.133 . 0 0 "[ . 1 . 2]" 1
184 1 60 MET H 1 72 GLY HA2 . . 3.780 2.488 2.349 2.639 . 0 0 "[ . 1 . 2]" 1
185 1 74 VAL MG1 1 75 THR H . . 4.110 4.006 3.900 4.081 . 0 0 "[ . 1 . 2]" 1
186 1 75 THR H 1 75 THR MG . . 3.820 3.779 3.739 3.824 0.004 2 0 "[ . 1 . 2]" 1
187 1 39 THR H 1 40 THR H . . 4.260 4.267 4.138 4.305 0.045 20 0 "[ . 1 . 2]" 1
188 1 66 LYS H 1 67 ARG H . . 4.480 2.560 2.404 2.967 . 0 0 "[ . 1 . 2]" 1
189 1 67 ARG H 1 67 ARG HB2 . . 3.770 2.669 2.431 2.917 . 0 0 "[ . 1 . 2]" 1
190 1 68 SER HB3 1 69 ARG H . . 4.810 3.346 2.860 4.267 . 0 0 "[ . 1 . 2]" 1
191 1 69 ARG HB3 1 70 GLY H . . 4.980 3.455 2.924 3.938 . 0 0 "[ . 1 . 2]" 1
192 1 68 SER HA 1 70 GLY H . . 4.430 3.959 3.654 4.317 . 0 0 "[ . 1 . 2]" 1
193 1 59 VAL QG 1 71 PHE H . . 4.970 3.395 3.239 3.737 . 0 0 "[ . 1 . 2]" 1
194 1 69 ARG HB3 1 71 PHE H . . 4.840 3.396 2.818 4.126 . 0 0 "[ . 1 . 2]" 1
195 1 69 ARG HB2 1 71 PHE H . . 5.500 3.207 2.867 3.677 . 0 0 "[ . 1 . 2]" 1
196 1 60 MET H 1 71 PHE H . . 4.640 3.987 3.881 4.060 . 0 0 "[ . 1 . 2]" 1
197 1 32 ILE H 1 72 GLY H . . 4.430 3.071 2.912 3.330 . 0 0 "[ . 1 . 2]" 1
198 1 35 LEU QD 1 72 GLY H . . 4.220 2.937 2.592 3.330 . 0 0 "[ . 1 . 2]" 1
199 1 73 PHE H 1 74 VAL MG1 . . 4.160 4.017 3.894 4.164 0.004 1 0 "[ . 1 . 2]" 1
200 1 32 ILE HG12 1 74 VAL H . . 5.000 3.539 3.235 3.761 . 0 0 "[ . 1 . 2]" 1
201 1 31 PHE HA 1 74 VAL H . . 4.290 3.901 3.748 4.150 . 0 0 "[ . 1 . 2]" 1
202 1 63 PRO QG 1 64 ALA H . . 4.250 3.264 2.879 3.491 . 0 0 "[ . 1 . 2]" 1
203 1 85 ALA H 1 86 MET HG2 . . 5.320 4.763 4.300 5.607 0.287 18 0 "[ . 1 . 2]" 1
204 1 85 ALA H 1 86 MET HB2 . . 5.500 4.920 4.660 5.144 . 0 0 "[ . 1 . 2]" 1
205 1 86 MET H 1 86 MET HB2 . . 4.020 2.451 2.347 2.567 . 0 0 "[ . 1 . 2]" 1
206 1 86 MET HB2 1 87 ALA H . . 5.330 2.560 2.243 2.903 . 0 0 "[ . 1 . 2]" 1
207 1 86 MET H 1 88 ALA H . . 4.660 4.565 4.111 4.681 0.021 17 0 "[ . 1 . 2]" 1
208 1 89 ARG H 1 89 ARG HG3 . . 3.470 3.326 2.548 3.488 0.018 17 0 "[ . 1 . 2]" 1
209 1 91 HIS HD2 1 92 SER H . . 4.390 4.058 3.805 4.384 . 0 0 "[ . 1 . 2]" 1
210 1 93 ILE H 1 93 ILE MG . . 4.400 3.923 3.873 3.951 . 0 0 "[ . 1 . 2]" 1
211 1 93 ILE HA 1 95 GLY H . . 4.530 3.161 3.014 3.507 . 0 0 "[ . 1 . 2]" 1
212 1 96 ARG HB3 1 97 VAL H . . 4.060 3.678 2.954 4.046 . 0 0 "[ . 1 . 2]" 1
213 1 93 ILE H 1 98 VAL H . . 4.410 3.224 2.934 3.554 . 0 0 "[ . 1 . 2]" 1
214 1 101 LYS H 1 101 LYS HB2 . . 3.900 2.968 2.866 3.097 . 0 0 "[ . 1 . 2]" 1
215 1 31 PHE QD 1 101 LYS H . . 5.170 4.016 3.770 4.175 . 0 0 "[ . 1 . 2]" 1
216 1 102 ARG HB3 1 103 ALA H . . 4.480 3.315 2.690 4.216 . 0 0 "[ . 1 . 2]" 1
217 1 102 ARG H 1 103 ALA H . . 4.590 3.403 2.554 4.560 . 0 0 "[ . 1 . 2]" 1
218 1 102 ARG H 1 102 ARG QD . . 5.270 4.018 2.873 4.569 . 0 0 "[ . 1 . 2]" 1
219 1 33 GLY H 1 100 PRO HB2 . . 5.500 5.515 5.448 5.592 0.092 18 0 "[ . 1 . 2]" 1
220 1 33 GLY H 1 34 GLY H . . 5.090 4.359 4.110 4.512 . 0 0 "[ . 1 . 2]" 1
221 1 41 GLU H 1 44 LEU HB3 . . 5.500 4.981 4.641 5.297 . 0 0 "[ . 1 . 2]" 1
222 1 42 GLU QG 1 43 SER H . . 5.410 3.854 1.872 4.345 . 0 0 "[ . 1 . 2]" 1
223 1 45 ARG H 1 46 ASN HB3 . . 5.070 4.915 4.632 5.225 0.155 11 0 "[ . 1 . 2]" 1
224 1 47 TYR HA 1 50 GLN HE21 . . 5.420 4.115 2.884 5.311 . 0 0 "[ . 1 . 2]" 1
225 1 49 GLU HB3 1 52 GLY H . . 5.500 5.289 4.980 5.526 0.026 13 0 "[ . 1 . 2]" 1
226 1 53 LYS H 1 81 GLU HB2 . . 5.500 5.063 4.734 5.365 . 0 0 "[ . 1 . 2]" 1
227 1 61 ARG H 1 61 ARG HD3 . . 5.150 4.861 3.483 5.680 0.530 13 1 "[ . 1 + . 2]" 1
228 1 81 GLU H 1 84 ALA H . . 4.660 4.671 4.635 4.741 0.081 14 0 "[ . 1 . 2]" 1
229 1 96 ARG H 1 96 ARG HD3 . . 5.280 4.695 4.533 4.898 . 0 0 "[ . 1 . 2]" 1
230 1 96 ARG H 1 97 VAL H . . 5.210 4.511 4.457 4.630 . 0 0 "[ . 1 . 2]" 1
231 1 30 LEU MD2 1 101 LYS H . . 5.280 4.351 3.348 5.423 0.143 2 0 "[ . 1 . 2]" 1
232 1 102 ARG H 1 104 VAL H . . 4.980 4.629 3.997 5.002 0.022 13 0 "[ . 1 . 2]" 1
233 1 83 ASP HB2 1 84 ALA H . . 3.650 3.285 3.077 3.621 . 0 0 "[ . 1 . 2]" 1
234 1 81 GLU HA 1 84 ALA H . . 3.850 3.318 3.164 3.714 . 0 0 "[ . 1 . 2]" 1
235 1 42 GLU H 1 42 GLU HB3 . . 3.570 2.998 2.397 3.473 . 0 0 "[ . 1 . 2]" 1
236 1 48 TYR H 1 48 TYR QD . . 3.970 2.578 2.296 2.802 . 0 0 "[ . 1 . 2]" 1
237 1 37 PHE QD 1 70 GLY H . . 4.050 3.525 2.945 4.055 0.005 6 0 "[ . 1 . 2]" 1
238 1 29 LYS QD 1 30 LEU H . . 4.650 4.493 4.326 4.728 0.078 15 0 "[ . 1 . 2]" 1
239 1 49 GLU HG2 1 52 GLY H . . 5.500 5.190 4.792 5.493 . 0 0 "[ . 1 . 2]" 1
240 1 60 MET QB 1 69 ARG H . . 4.410 3.770 3.346 3.955 . 0 0 "[ . 1 . 2]" 1
241 1 59 VAL HA 1 73 PHE H . . 4.340 3.643 3.552 3.705 . 0 0 "[ . 1 . 2]" 1
242 1 72 GLY H 1 73 PHE H . . 5.260 4.263 4.237 4.300 . 0 0 "[ . 1 . 2]" 1
243 1 91 HIS H 1 98 VAL H . . 4.880 4.181 3.880 4.516 . 0 0 "[ . 1 . 2]" 1
244 1 99 GLU H 1 99 GLU QG . . 4.070 2.442 2.017 4.017 . 0 0 "[ . 1 . 2]" 1
245 1 30 LEU HA 1 101 LYS H . . 5.500 4.842 4.264 5.512 0.012 17 0 "[ . 1 . 2]" 1
246 1 57 CYS HA 1 58 VAL H . . 3.180 2.225 2.220 2.252 . 0 0 "[ . 1 . 2]" 1
247 1 33 GLY HA2 1 72 GLY H . . 5.180 4.122 4.004 4.352 . 0 0 "[ . 1 . 2]" 1
248 1 33 GLY HA2 1 35 LEU H . . 5.160 4.414 3.697 4.803 . 0 0 "[ . 1 . 2]" 1
249 1 106 ARG H 1 106 ARG QG . . 4.880 3.555 2.245 4.201 . 0 0 "[ . 1 . 2]" 1
250 1 30 LEU HB2 1 32 ILE MD . . 3.760 3.342 2.341 3.797 0.037 10 0 "[ . 1 . 2]" 1
251 1 30 LEU HB3 1 74 VAL MG2 . . 4.050 2.873 2.489 4.072 0.022 2 0 "[ . 1 . 2]" 1
252 1 30 LEU HB3 1 32 ILE MD . . 3.790 2.549 2.262 3.473 . 0 0 "[ . 1 . 2]" 1
253 1 72 GLY HA3 1 73 PHE H . . 3.520 2.402 2.377 2.445 . 0 0 "[ . 1 . 2]" 1
254 1 59 VAL HA 1 72 GLY HA3 . . 3.660 2.081 1.991 2.147 . 0 0 "[ . 1 . 2]" 1
255 1 59 VAL HA 1 72 GLY HA2 . . 3.840 2.862 2.659 3.073 . 0 0 "[ . 1 . 2]" 1
256 1 102 ARG HB2 1 102 ARG QD . . 3.710 2.372 2.100 3.331 . 0 0 "[ . 1 . 2]" 1
257 1 89 ARG QD 1 90 PRO HA . . 3.340 2.610 1.982 3.346 0.006 7 0 "[ . 1 . 2]" 1
258 1 45 ARG HB2 1 45 ARG HD2 . . 3.730 3.410 2.806 3.699 . 0 0 "[ . 1 . 2]" 1
259 1 67 ARG HB2 1 67 ARG QD . . 3.080 2.771 2.269 3.273 0.193 12 0 "[ . 1 . 2]" 1
260 1 73 PHE HB3 1 74 VAL H . . 3.910 2.998 2.870 3.122 . 0 0 "[ . 1 . 2]" 1
261 1 73 PHE HB2 1 74 VAL H . . 3.840 3.758 3.586 3.855 0.015 16 0 "[ . 1 . 2]" 1
262 1 44 LEU H 1 44 LEU HB2 . . 3.400 2.614 2.322 2.866 . 0 0 "[ . 1 . 2]" 1
263 1 44 LEU HB3 1 45 ARG H . . 3.480 2.549 2.299 2.852 . 0 0 "[ . 1 . 2]" 1
264 1 44 LEU H 1 44 LEU HB3 . . 3.420 2.321 2.154 2.564 . 0 0 "[ . 1 . 2]" 1
265 1 44 LEU HB2 1 44 LEU QD . . 3.160 2.060 1.938 2.147 . 0 0 "[ . 1 . 2]" 1
266 1 61 ARG HB3 1 61 ARG HD3 . . 3.720 2.907 2.162 3.650 . 0 0 "[ . 1 . 2]" 1
267 1 62 ASP H 1 62 ASP QB . . 3.610 2.307 2.009 2.652 . 0 0 "[ . 1 . 2]" 1
268 1 24 LYS QE 1 24 LYS HG2 . . 2.940 2.570 1.978 3.498 0.558 17 1 "[ . 1 . + 2]" 1
269 1 17 LEU H 1 17 LEU HB2 . . 3.790 2.936 2.006 4.011 0.221 11 0 "[ . 1 . 2]" 1
270 1 17 LEU HB2 1 17 LEU MD1 . . 3.430 2.280 1.961 3.221 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU HB3 1 17 LEU MD1 . . 3.480 2.837 2.224 3.205 . 0 0 "[ . 1 . 2]" 1
272 1 53 LYS QE 1 53 LYS HG3 . . 2.970 2.168 1.980 2.568 . 0 0 "[ . 1 . 2]" 1
273 1 66 LYS HE2 1 66 LYS HG2 . . 3.060 3.200 2.038 3.956 0.896 1 5 "[+ . * * -. * 2]" 1
274 1 76 PHE H 1 76 PHE HB2 . . 4.080 2.069 2.014 2.174 . 0 0 "[ . 1 . 2]" 1
275 1 101 LYS QE 1 101 LYS QG . . 3.480 2.076 1.939 2.220 . 0 0 "[ . 1 . 2]" 1
276 1 76 PHE HB2 1 82 VAL MG1 . . 3.940 3.061 1.886 3.252 . 0 0 "[ . 1 . 2]" 1
277 1 54 LEU H 1 54 LEU HB2 . . 3.540 2.620 2.547 2.674 . 0 0 "[ . 1 . 2]" 1
278 1 54 LEU H 1 54 LEU HB3 . . 3.650 3.560 3.530 3.591 . 0 0 "[ . 1 . 2]" 1
279 1 71 PHE HB2 1 72 GLY H . . 3.710 3.027 2.896 3.205 . 0 0 "[ . 1 . 2]" 1
280 1 29 LYS QB 1 29 LYS QE . . 3.470 3.123 2.798 3.376 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS QE 1 29 LYS HG3 . . 3.490 2.317 1.979 3.074 . 0 0 "[ . 1 . 2]" 1
282 1 29 LYS QE 1 29 LYS HG2 . . 3.790 2.817 1.987 3.255 . 0 0 "[ . 1 . 2]" 1
283 1 31 PHE H 1 31 PHE HB2 . . 3.750 2.736 2.510 2.961 . 0 0 "[ . 1 . 2]" 1
284 1 31 PHE H 1 31 PHE HB3 . . 3.510 2.359 2.198 2.466 . 0 0 "[ . 1 . 2]" 1
285 1 93 ILE HB 1 98 VAL MG1 . . 3.200 2.066 1.787 2.347 . 0 0 "[ . 1 . 2]" 1
286 1 93 ILE H 1 93 ILE HB . . 3.860 2.830 2.733 2.909 . 0 0 "[ . 1 . 2]" 1
287 1 83 ASP H 1 83 ASP HB3 . . 3.750 3.215 2.853 3.418 . 0 0 "[ . 1 . 2]" 1
288 1 83 ASP H 1 83 ASP HB2 . . 3.870 2.049 2.003 2.132 . 0 0 "[ . 1 . 2]" 1
289 1 47 TYR HB3 1 48 TYR H . . 4.000 2.331 2.169 2.456 . 0 0 "[ . 1 . 2]" 1
290 1 47 TYR H 1 47 TYR HB3 . . 3.460 2.421 2.258 2.567 . 0 0 "[ . 1 . 2]" 1
291 1 47 TYR HB2 1 48 TYR H . . 3.780 3.612 3.407 3.812 0.032 20 0 "[ . 1 . 2]" 1
292 1 27 PHE H 1 27 PHE HB2 . . 4.030 2.021 1.916 2.477 . 0 0 "[ . 1 . 2]" 1
293 1 27 PHE H 1 27 PHE HB3 . . 3.500 3.331 3.229 3.471 . 0 0 "[ . 1 . 2]" 1
294 1 49 GLU H 1 49 GLU HG2 . . 4.040 4.020 3.963 4.081 0.041 8 0 "[ . 1 . 2]" 1
295 1 49 GLU HA 1 49 GLU HG2 . . 3.980 2.027 1.971 2.060 . 0 0 "[ . 1 . 2]" 1
296 1 49 GLU HG3 1 54 LEU HG . . 4.070 4.067 3.996 4.090 0.020 20 0 "[ . 1 . 2]" 1
297 1 49 GLU HA 1 49 GLU HG3 . . 3.610 3.055 3.004 3.130 . 0 0 "[ . 1 . 2]" 1
298 1 41 GLU HG3 1 59 VAL H . . 3.800 3.738 2.446 4.233 0.433 16 0 "[ . 1 . 2]" 1
299 1 46 ASN H 1 46 ASN HB2 . . 3.310 2.441 2.193 2.634 . 0 0 "[ . 1 . 2]" 1
300 1 41 GLU HG2 1 58 VAL HA . . 4.020 3.347 2.980 4.537 0.517 16 1 "[ . 1 .+ 2]" 1
301 1 48 TYR H 1 48 TYR HB3 . . 3.990 3.388 3.356 3.439 . 0 0 "[ . 1 . 2]" 1
302 1 56 ASP H 1 75 THR HB . . 3.760 2.588 2.123 2.875 . 0 0 "[ . 1 . 2]" 1
303 1 32 ILE H 1 32 ILE HB . . 3.740 2.614 2.553 2.661 . 0 0 "[ . 1 . 2]" 1
304 1 32 ILE HB 1 35 LEU QD . . 3.380 2.327 2.038 2.645 . 0 0 "[ . 1 . 2]" 1
305 1 81 GLU HA 1 81 GLU QG . . 3.340 2.520 2.192 3.103 . 0 0 "[ . 1 . 2]" 1
306 1 58 VAL H 1 58 VAL HB . . 3.620 2.470 2.377 2.566 . 0 0 "[ . 1 . 2]" 1
307 1 101 LYS HB3 1 101 LYS HD2 . . 3.590 2.820 2.177 3.798 0.208 19 0 "[ . 1 . 2]" 1
308 1 101 LYS HB2 1 101 LYS HD2 . . 3.670 3.377 2.432 3.639 . 0 0 "[ . 1 . 2]" 1
309 1 31 PHE HB3 1 101 LYS HB2 . . 3.720 2.034 1.974 2.203 . 0 0 "[ . 1 . 2]" 1
310 1 38 GLU H 1 38 GLU QG . . 3.910 3.479 2.869 3.887 . 0 0 "[ . 1 . 2]" 1
311 1 90 PRO HB2 1 97 VAL MG1 . . 3.660 2.926 2.678 3.214 . 0 0 "[ . 1 . 2]" 1
312 1 90 PRO HB3 1 91 HIS H . . 4.150 3.233 3.138 3.571 . 0 0 "[ . 1 . 2]" 1
313 1 90 PRO HB2 1 91 HIS H . . 4.080 2.330 2.078 3.036 . 0 0 "[ . 1 . 2]" 1
314 1 90 PRO HB3 1 97 VAL MG1 . . 3.500 3.501 3.312 3.668 0.168 10 0 "[ . 1 . 2]" 1
315 1 74 VAL HB 1 75 THR H . . 3.900 3.633 3.457 3.787 . 0 0 "[ . 1 . 2]" 1
316 1 54 LEU MD1 1 74 VAL HB . . 3.580 2.049 1.892 2.569 . 0 0 "[ . 1 . 2]" 1
317 1 91 HIS HB3 1 98 VAL MG2 . . 3.650 2.059 1.820 2.858 . 0 0 "[ . 1 . 2]" 1
318 1 82 VAL HA 1 85 ALA MB . . 3.110 2.658 2.160 2.954 . 0 0 "[ . 1 . 2]" 1
319 1 82 VAL HA 1 82 VAL MG2 . . 3.120 2.464 2.341 3.010 . 0 0 "[ . 1 . 2]" 1
320 1 82 VAL MG2 1 86 MET HG2 . . 3.800 2.873 2.575 3.620 . 0 0 "[ . 1 . 2]" 1
321 1 86 MET H 1 86 MET HG2 . . 3.750 2.324 1.964 2.871 . 0 0 "[ . 1 . 2]" 1
322 1 30 LEU MD2 1 86 MET HG2 . . 3.950 2.106 1.889 3.248 . 0 0 "[ . 1 . 2]" 1
323 1 82 VAL MG2 1 86 MET HG3 . . 3.890 2.861 2.421 3.577 . 0 0 "[ . 1 . 2]" 1
324 1 86 MET H 1 86 MET HG3 . . 4.020 2.853 2.452 3.535 . 0 0 "[ . 1 . 2]" 1
325 1 59 VAL H 1 59 VAL HB . . 3.400 3.036 2.894 3.111 . 0 0 "[ . 1 . 2]" 1
326 1 104 VAL H 1 104 VAL HB . . 3.730 3.382 2.391 3.770 0.040 2 0 "[ . 1 . 2]" 1
327 1 50 GLN H 1 50 GLN HG3 . . 4.010 3.047 1.961 3.854 . 0 0 "[ . 1 . 2]" 1
328 1 60 MET H 1 60 MET HG3 . . 3.950 3.680 3.617 3.731 . 0 0 "[ . 1 . 2]" 1
329 1 60 MET HG3 1 71 PHE QE . . 3.430 2.154 2.002 2.366 . 0 0 "[ . 1 . 2]" 1
330 1 60 MET HA 1 60 MET HG3 . . 4.000 3.699 3.680 3.722 . 0 0 "[ . 1 . 2]" 1
331 1 60 MET H 1 60 MET HG2 . . 3.590 2.401 2.290 2.504 . 0 0 "[ . 1 . 2]" 1
332 1 53 LYS QB 1 54 LEU H . . 3.850 3.549 3.309 3.772 . 0 0 "[ . 1 . 2]" 1
333 1 53 LYS QB 1 77 SER HB3 . . 3.700 3.890 3.144 4.289 0.589 5 9 "[* +* *1 ** * *-2]" 1
334 1 32 ILE MG 1 100 PRO HB3 . . 3.460 3.185 2.825 3.478 0.018 10 0 "[ . 1 . 2]" 1
335 1 39 THR HA 1 40 THR H . . 3.150 2.193 2.153 2.215 . 0 0 "[ . 1 . 2]" 1
336 1 24 LYS HA 1 24 LYS HB3 . . 2.960 2.896 2.798 2.962 0.002 6 0 "[ . 1 . 2]" 1
337 1 24 LYS HB2 1 24 LYS QD . . 2.810 2.627 1.970 3.479 0.669 17 4 "[ * . * - . + 2]" 1
338 1 15 VAL HB 1 16 PRO HD2 . . 4.130 2.638 1.972 3.728 . 0 0 "[ . 1 . 2]" 1
339 1 15 VAL HB 1 16 PRO HD3 . . 4.080 3.480 2.854 4.143 0.063 7 0 "[ . 1 . 2]" 1
340 1 98 VAL HB 1 99 GLU H . . 3.330 2.359 2.216 2.671 . 0 0 "[ . 1 . 2]" 1
341 1 35 LEU QD 1 98 VAL HB . . 2.950 2.856 2.497 3.014 0.064 17 0 "[ . 1 . 2]" 1
342 1 96 ARG HB2 1 97 VAL H . . 3.950 2.933 2.365 4.309 0.359 18 0 "[ . 1 . 2]" 1
343 1 96 ARG H 1 96 ARG HB3 . . 3.960 3.063 2.594 3.582 . 0 0 "[ . 1 . 2]" 1
344 1 77 SER H 1 77 SER HB3 . . 3.770 2.438 2.071 2.966 . 0 0 "[ . 1 . 2]" 1
345 1 82 VAL H 1 82 VAL HB . . 3.570 2.491 2.414 3.480 . 0 0 "[ . 1 . 2]" 1
346 1 99 GLU HB2 1 99 GLU QG . . 2.400 2.280 2.179 2.430 0.030 20 0 "[ . 1 . 2]" 1
347 1 67 ARG H 1 67 ARG HB3 . . 3.680 3.752 3.623 3.843 0.163 11 0 "[ . 1 . 2]" 1
348 1 67 ARG HB3 1 67 ARG QD . . 3.800 2.274 2.023 2.857 . 0 0 "[ . 1 . 2]" 1
349 1 36 SER HA 1 36 SER HB2 . . 2.830 2.281 2.255 2.360 . 0 0 "[ . 1 . 2]" 1
350 1 99 GLU H 1 99 GLU HB2 . . 3.890 3.717 2.623 3.883 . 0 0 "[ . 1 . 2]" 1
351 1 97 VAL H 1 97 VAL HB . . 3.190 2.413 2.322 2.533 . 0 0 "[ . 1 . 2]" 1
352 1 106 ARG QB 1 106 ARG QG . . 2.400 2.086 2.048 2.134 . 0 0 "[ . 1 . 2]" 1
353 1 99 GLU H 1 99 GLU HB3 . . 3.790 3.646 3.369 3.768 . 0 0 "[ . 1 . 2]" 1
354 1 99 GLU HB3 1 99 GLU QG . . 2.700 2.478 2.364 2.571 . 0 0 "[ . 1 . 2]" 1
355 1 43 SER HA 1 43 SER HB3 . . 2.960 2.662 2.552 2.830 . 0 0 "[ . 1 . 2]" 1
356 1 102 ARG HB3 1 102 ARG HG2 . . 2.740 2.478 2.283 3.040 0.300 10 0 "[ . 1 . 2]" 1
357 1 60 MET H 1 60 MET QB . . 3.770 2.243 2.202 2.283 . 0 0 "[ . 1 . 2]" 1
358 1 60 MET QB 1 60 MET ME . . 3.650 3.279 3.220 3.385 . 0 0 "[ . 1 . 2]" 1
359 1 47 TYR HA 1 47 TYR QD . . 3.330 2.758 2.573 3.031 . 0 0 "[ . 1 . 2]" 1
360 1 59 VAL HA 1 59 VAL QG . . 3.270 2.244 2.169 2.353 . 0 0 "[ . 1 . 2]" 1
361 1 59 VAL HA 1 60 MET H . . 3.230 2.184 2.182 2.192 . 0 0 "[ . 1 . 2]" 1
362 1 45 ARG H 1 45 ARG HB3 . . 3.530 3.478 3.296 3.561 0.031 7 0 "[ . 1 . 2]" 1
363 1 42 GLU HA 1 45 ARG HB2 . . 3.550 2.420 2.037 2.861 . 0 0 "[ . 1 . 2]" 1
364 1 38 GLU H 1 38 GLU HB2 . . 3.520 2.290 2.114 2.463 . 0 0 "[ . 1 . 2]" 1
365 1 45 ARG HB2 1 46 ASN H . . 3.330 2.629 2.324 3.082 . 0 0 "[ . 1 . 2]" 1
366 1 14 THR HA 1 15 VAL H . . 3.520 2.297 2.154 2.664 . 0 0 "[ . 1 . 2]" 1
367 1 89 ARG HB2 1 90 PRO HA . . 3.550 3.463 3.435 3.534 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLU HB2 1 25 GLU QG . . 2.400 2.371 2.195 2.494 0.094 12 0 "[ . 1 . 2]" 1
369 1 25 GLU HB3 1 25 GLU QG . . 2.450 2.348 2.192 2.480 0.030 14 0 "[ . 1 . 2]" 1
370 1 100 PRO HA 1 101 LYS H . . 3.280 2.327 2.212 2.386 . 0 0 "[ . 1 . 2]" 1
371 1 32 ILE HA 1 100 PRO HA . . 3.420 2.175 2.058 2.364 . 0 0 "[ . 1 . 2]" 1
372 1 90 PRO HA 1 91 HIS H . . 3.540 2.601 2.313 2.717 . 0 0 "[ . 1 . 2]" 1
373 1 81 GLU H 1 81 GLU HB2 . . 3.950 2.586 2.448 2.704 . 0 0 "[ . 1 . 2]" 1
374 1 81 GLU H 1 81 GLU HB3 . . 3.930 3.554 3.544 3.567 . 0 0 "[ . 1 . 2]" 1
375 1 76 PHE QD 1 81 GLU HB3 . . 3.880 2.770 1.997 3.400 . 0 0 "[ . 1 . 2]" 1
376 1 29 LYS QB 1 29 LYS QD . . 3.170 1.966 1.928 2.044 . 0 0 "[ . 1 . 2]" 1
377 1 41 GLU HA 1 41 GLU HG2 . . 3.920 2.440 2.285 2.945 . 0 0 "[ . 1 . 2]" 1
378 1 41 GLU HA 1 41 GLU HG3 . . 3.340 3.209 2.678 3.708 0.368 16 0 "[ . 1 . 2]" 1
379 1 41 GLU HA 1 44 LEU HB3 . . 3.520 2.876 2.513 3.066 . 0 0 "[ . 1 . 2]" 1
380 1 41 GLU HA 1 59 VAL QG . . 3.390 3.228 2.682 3.374 . 0 0 "[ . 1 . 2]" 1
381 1 51 TRP H 1 51 TRP HB3 . . 3.820 3.552 3.510 3.617 . 0 0 "[ . 1 . 2]" 1
382 1 51 TRP HB2 1 51 TRP HE3 . . 3.720 2.345 2.331 2.388 . 0 0 "[ . 1 . 2]" 1
383 1 51 TRP H 1 51 TRP HB2 . . 3.740 2.396 2.272 2.503 . 0 0 "[ . 1 . 2]" 1
384 1 42 GLU H 1 42 GLU HB2 . . 3.530 2.223 2.022 3.544 0.014 16 0 "[ . 1 . 2]" 1
385 1 42 GLU HB2 1 43 SER H . . 4.070 3.150 2.434 3.765 . 0 0 "[ . 1 . 2]" 1
386 1 42 GLU HB3 1 43 SER H . . 3.960 2.431 2.009 3.904 . 0 0 "[ . 1 . 2]" 1
387 1 89 ARG HB3 1 89 ARG QD . . 3.430 2.231 1.987 2.793 . 0 0 "[ . 1 . 2]" 1
388 1 43 SER HA 1 46 ASN HB2 . . 3.620 3.280 2.493 3.554 . 0 0 "[ . 1 . 2]" 1
389 1 43 SER HA 1 46 ASN HB3 . . 3.780 2.835 2.347 3.137 . 0 0 "[ . 1 . 2]" 1
390 1 104 VAL HA 1 104 VAL QG . . 3.320 2.240 2.039 2.354 . 0 0 "[ . 1 . 2]" 1
391 1 24 LYS HA 1 24 LYS QD . . 3.520 2.949 2.728 3.182 . 0 0 "[ . 1 . 2]" 1
392 1 50 GLN HB2 1 50 GLN HG3 . . 2.790 2.419 2.265 2.673 . 0 0 "[ . 1 . 2]" 1
393 1 50 GLN H 1 50 GLN HB3 . . 3.890 2.918 2.488 3.570 . 0 0 "[ . 1 . 2]" 1
394 1 93 ILE HA 1 94 ASP H . . 3.330 2.262 2.178 2.335 . 0 0 "[ . 1 . 2]" 1
395 1 93 ILE HA 1 93 ILE MG . . 3.270 2.299 2.162 2.415 . 0 0 "[ . 1 . 2]" 1
396 1 41 GLU H 1 41 GLU HB2 . . 3.810 2.521 2.064 2.666 . 0 0 "[ . 1 . 2]" 1
397 1 41 GLU HB2 1 41 GLU HG3 . . 2.560 2.425 2.354 2.495 . 0 0 "[ . 1 . 2]" 1
398 1 41 GLU H 1 41 GLU HB3 . . 3.900 3.533 3.173 3.563 . 0 0 "[ . 1 . 2]" 1
399 1 49 GLU H 1 49 GLU HB2 . . 3.590 2.221 2.208 2.232 . 0 0 "[ . 1 . 2]" 1
400 1 15 VAL HA 1 15 VAL MG1 . . 3.540 2.432 2.048 3.196 . 0 0 "[ . 1 . 2]" 1
401 1 37 PHE HA 1 37 PHE QD . . 3.750 2.343 1.953 2.693 . 0 0 "[ . 1 . 2]" 1
402 1 42 GLU HA 1 42 GLU QG . . 3.490 2.267 2.115 3.332 . 0 0 "[ . 1 . 2]" 1
403 1 26 GLN H 1 26 GLN QB . . 3.840 2.361 2.180 2.499 . 0 0 "[ . 1 . 2]" 1
404 1 26 GLN QB 1 104 VAL QG . . 4.000 2.652 1.764 3.783 . 0 0 "[ . 1 . 2]" 1
405 1 40 THR HA 1 41 GLU H . . 3.520 2.668 2.373 2.902 . 0 0 "[ . 1 . 2]" 1
406 1 32 ILE HA 1 33 GLY H . . 3.230 2.206 2.178 2.229 . 0 0 "[ . 1 . 2]" 1
407 1 32 ILE HA 1 32 ILE MG . . 3.420 2.314 2.268 2.341 . 0 0 "[ . 1 . 2]" 1
408 1 69 ARG HA 1 69 ARG HG2 . . 3.520 2.171 1.984 2.581 . 0 0 "[ . 1 . 2]" 1
409 1 69 ARG HA 1 69 ARG HG3 . . 3.840 3.292 2.345 3.621 . 0 0 "[ . 1 . 2]" 1
410 1 45 ARG HA 1 48 TYR H . . 3.860 2.859 2.736 3.009 . 0 0 "[ . 1 . 2]" 1
411 1 25 GLU HA 1 25 GLU QG . . 3.580 2.319 2.109 2.793 . 0 0 "[ . 1 . 2]" 1
412 1 54 LEU H 1 54 LEU MD1 . . 4.380 3.525 3.376 3.612 . 0 0 "[ . 1 . 2]" 1
413 1 54 LEU HA 1 54 LEU MD1 . . 3.960 3.922 3.862 3.982 0.022 17 0 "[ . 1 . 2]" 1
414 1 45 ARG HA 1 54 LEU MD1 . . 3.350 1.940 1.886 2.066 . 0 0 "[ . 1 . 2]" 1
415 1 54 LEU MD1 1 57 CYS QB . . 3.200 2.370 2.121 2.662 . 0 0 "[ . 1 . 2]" 1
416 1 49 GLU HG3 1 54 LEU MD1 . . 4.340 3.917 3.618 4.161 . 0 0 "[ . 1 . 2]" 1
417 1 45 ARG HB3 1 54 LEU MD1 . . 4.060 3.415 2.630 3.940 . 0 0 "[ . 1 . 2]" 1
418 1 45 ARG QG 1 54 LEU MD1 . . 3.000 1.876 1.715 2.238 . 0 0 "[ . 1 . 2]" 1
419 1 54 LEU HB3 1 54 LEU MD1 . . 3.510 2.403 2.289 2.534 . 0 0 "[ . 1 . 2]" 1
420 1 45 ARG HA 1 45 ARG QG . . 3.420 2.238 2.093 2.481 . 0 0 "[ . 1 . 2]" 1
421 1 89 ARG HG2 1 100 PRO HG3 . . 3.830 3.625 3.148 4.039 0.209 13 0 "[ . 1 . 2]" 1
422 1 54 LEU HB2 1 54 LEU MD1 . . 2.800 2.275 2.126 2.412 . 0 0 "[ . 1 . 2]" 1
423 1 54 LEU HB2 1 57 CYS QB . . 3.670 2.772 2.431 3.392 . 0 0 "[ . 1 . 2]" 1
424 1 49 GLU HG2 1 54 LEU HG . . 3.820 3.383 3.171 3.535 . 0 0 "[ . 1 . 2]" 1
425 1 32 ILE HG12 1 32 ILE MG . . 3.430 3.230 3.216 3.239 . 0 0 "[ . 1 . 2]" 1
426 1 32 ILE H 1 32 ILE HG12 . . 4.030 1.937 1.920 1.971 . 0 0 "[ . 1 . 2]" 1
427 1 32 ILE HG13 1 32 ILE MG . . 3.480 2.427 2.343 2.496 . 0 0 "[ . 1 . 2]" 1
428 1 68 SER HA 1 69 ARG H . . 3.500 2.290 2.226 2.366 . 0 0 "[ . 1 . 2]" 1
429 1 79 MET HA 1 82 VAL MG1 . . 3.600 1.856 1.772 2.202 . 0 0 "[ . 1 . 2]" 1
430 1 79 MET HA 1 82 VAL MG2 . . 4.170 4.143 3.583 4.221 0.051 5 0 "[ . 1 . 2]" 1
431 1 44 LEU HA 1 93 ILE MG . . 3.350 2.926 2.617 3.313 . 0 0 "[ . 1 . 2]" 1
432 1 26 GLN HA 1 26 GLN QG . . 3.560 3.267 2.674 3.381 . 0 0 "[ . 1 . 2]" 1
433 1 66 LYS HA 1 66 LYS HD2 . . 3.750 3.309 2.273 4.358 0.608 12 1 "[ . 1 + . 2]" 1
434 1 96 ARG HA 1 96 ARG QG . . 3.600 3.143 2.348 3.391 . 0 0 "[ . 1 . 2]" 1
435 1 96 ARG HB3 1 96 ARG QG . . 2.400 2.275 2.180 2.451 0.051 20 0 "[ . 1 . 2]" 1
436 1 44 LEU QD 1 45 ARG QG . . 3.300 3.134 2.980 3.223 . 0 0 "[ . 1 . 2]" 1
437 1 35 LEU QD 1 71 PHE HA . . 3.910 2.474 1.745 2.851 . 0 0 "[ . 1 . 2]" 1
438 1 35 LEU HA 1 35 LEU QD . . 3.090 2.057 1.865 2.673 . 0 0 "[ . 1 . 2]" 1
439 1 35 LEU HB3 1 35 LEU QD . . 2.920 2.090 1.953 2.380 . 0 0 "[ . 1 . 2]" 1
440 1 35 LEU QD 1 39 THR MG . . 3.200 2.103 1.761 2.619 . 0 0 "[ . 1 . 2]" 1
441 1 35 LEU QD 1 44 LEU QD . . 2.630 1.856 1.674 2.048 . 0 0 "[ . 1 . 2]" 1
442 1 32 ILE MG 1 35 LEU QD . . 2.400 1.791 1.709 1.967 . 0 0 "[ . 1 . 2]" 1
443 1 44 LEU HB3 1 44 LEU QD . . 3.230 2.114 1.947 2.207 . 0 0 "[ . 1 . 2]" 1
444 1 24 LYS HA 1 24 LYS HG2 . . 3.350 2.754 1.997 3.429 0.079 11 0 "[ . 1 . 2]" 1
445 1 93 ILE QG 1 98 VAL MG1 . . 2.940 2.351 1.875 2.847 . 0 0 "[ . 1 . 2]" 1
446 1 24 LYS HA 1 24 LYS HG3 . . 3.310 2.625 1.994 3.421 0.111 20 0 "[ . 1 . 2]" 1
447 1 83 ASP HA 1 86 MET HG2 . . 3.440 3.724 2.888 4.389 0.949 18 8 "[ * .-* 1 * ** *+ 2]" 1
448 1 30 LEU HB2 1 30 LEU MD2 . . 3.130 2.298 2.030 2.526 . 0 0 "[ . 1 . 2]" 1
449 1 44 LEU QD 1 48 TYR QD . . 3.590 2.618 1.944 2.901 . 0 0 "[ . 1 . 2]" 1
450 1 44 LEU HA 1 44 LEU QD . . 3.300 2.596 2.212 2.931 . 0 0 "[ . 1 . 2]" 1
451 1 39 THR MG 1 44 LEU QD . . 3.220 2.271 1.822 2.591 . 0 0 "[ . 1 . 2]" 1
452 1 24 LYS HA 1 24 LYS HB2 . . 3.010 2.812 2.725 2.914 . 0 0 "[ . 1 . 2]" 1
453 1 66 LYS HA 1 66 LYS HG3 . . 4.240 3.011 2.005 3.592 . 0 0 "[ . 1 . 2]" 1
454 1 30 LEU MD2 1 76 PHE QE . . 3.470 2.643 2.242 3.450 . 0 0 "[ . 1 . 2]" 1
455 1 30 LEU MD2 1 86 MET HG3 . . 3.750 2.941 2.058 3.949 0.199 2 0 "[ . 1 . 2]" 1
456 1 30 LEU MD2 1 86 MET ME . . 3.590 2.644 2.055 3.589 . 0 0 "[ . 1 . 2]" 1
457 1 30 LEU HB3 1 30 LEU MD2 . . 3.270 2.438 2.134 3.144 . 0 0 "[ . 1 . 2]" 1
458 1 21 LYS HA 1 21 LYS QB . . 2.650 2.471 2.165 2.547 . 0 0 "[ . 1 . 2]" 1
459 1 24 LYS QD 1 24 LYS HG3 . . 2.520 2.356 2.180 2.568 0.048 7 0 "[ . 1 . 2]" 1
460 1 66 LYS HD2 1 66 LYS HG2 . . 2.960 2.934 2.600 3.056 0.096 15 0 "[ . 1 . 2]" 1
461 1 66 LYS HA 1 66 LYS HG2 . . 4.180 2.634 1.986 4.215 0.035 16 0 "[ . 1 . 2]" 1
462 1 53 LYS HA 1 53 LYS HG3 . . 4.050 2.109 2.001 2.215 . 0 0 "[ . 1 . 2]" 1
463 1 53 LYS QB 1 53 LYS HG3 . . 2.730 2.565 2.559 2.572 . 0 0 "[ . 1 . 2]" 1
464 1 32 ILE HA 1 101 LYS QG . . 3.740 3.641 3.414 3.688 . 0 0 "[ . 1 . 2]" 1
465 1 73 PHE HA 1 74 VAL H . . 3.070 2.322 2.282 2.378 . 0 0 "[ . 1 . 2]" 1
466 1 30 LEU HA 1 30 LEU MD1 . . 3.460 2.224 1.971 2.479 . 0 0 "[ . 1 . 2]" 1
467 1 30 LEU MD1 1 102 ARG HA . . 3.480 2.957 1.950 3.215 . 0 0 "[ . 1 . 2]" 1
468 1 30 LEU MD1 1 86 MET HG3 . . 3.790 3.837 3.182 4.198 0.408 5 0 "[ . 1 . 2]" 1
469 1 30 LEU MD1 1 103 ALA MB . . 3.500 3.494 3.205 3.563 0.063 12 0 "[ . 1 . 2]" 1
470 1 30 LEU HB3 1 30 LEU MD1 . . 3.590 3.178 2.568 3.222 . 0 0 "[ . 1 . 2]" 1
471 1 30 LEU MD1 1 82 VAL MG1 . . 3.760 3.604 3.414 3.753 . 0 0 "[ . 1 . 2]" 1
472 1 30 LEU MD1 1 82 VAL MG2 . . 2.400 1.864 1.643 2.452 0.052 14 0 "[ . 1 . 2]" 1
473 1 101 LYS H 1 101 LYS QG . . 3.950 2.686 2.520 2.856 . 0 0 "[ . 1 . 2]" 1
474 1 38 GLU HA 1 38 GLU QG . . 2.810 2.103 1.976 2.307 . 0 0 "[ . 1 . 2]" 1
475 1 92 SER HA 1 93 ILE H . . 3.140 2.221 2.215 2.267 . 0 0 "[ . 1 . 2]" 1
476 1 92 SER HA 1 97 VAL HA . . 3.320 2.505 2.212 2.804 . 0 0 "[ . 1 . 2]" 1
477 1 86 MET HA 1 86 MET ME . . 3.310 2.492 2.026 3.340 0.030 20 0 "[ . 1 . 2]" 1
478 1 67 ARG HA 1 67 ARG QG . . 2.920 2.438 2.189 2.644 . 0 0 "[ . 1 . 2]" 1
479 1 28 ARG HA 1 28 ARG HG3 . . 3.550 3.050 2.139 4.080 0.530 20 1 "[ . 1 . +]" 1
480 1 94 ASP HA 1 95 GLY H . . 3.400 3.157 2.995 3.250 . 0 0 "[ . 1 . 2]" 1
481 1 89 ARG HA 1 91 HIS HD2 . . 3.550 3.007 2.323 3.478 . 0 0 "[ . 1 . 2]" 1
482 1 28 ARG QB 1 82 VAL MG1 . . 3.680 3.492 2.821 3.610 . 0 0 "[ . 1 . 2]" 1
483 1 82 VAL H 1 82 VAL MG1 . . 3.480 1.914 1.796 1.955 . 0 0 "[ . 1 . 2]" 1
484 1 28 ARG HA 1 82 VAL MG1 . . 3.230 3.050 2.555 3.250 0.020 17 0 "[ . 1 . 2]" 1
485 1 76 PHE HB3 1 82 VAL MG1 . . 4.040 3.537 2.205 3.911 . 0 0 "[ . 1 . 2]" 1
486 1 82 VAL HA 1 82 VAL MG1 . . 3.230 3.196 2.827 3.218 . 0 0 "[ . 1 . 2]" 1
487 1 17 LEU HA 1 17 LEU MD2 . . 3.840 3.237 2.131 4.036 0.196 19 0 "[ . 1 . 2]" 1
488 1 17 LEU HB3 1 17 LEU MD2 . . 3.200 2.272 1.957 3.223 0.023 16 0 "[ . 1 . 2]" 1
489 1 29 LYS HA 1 30 LEU H . . 3.240 2.179 2.176 2.212 . 0 0 "[ . 1 . 2]" 1
490 1 29 LYS HA 1 75 THR HA . . 3.400 2.525 2.323 2.678 . 0 0 "[ . 1 . 2]" 1
491 1 39 THR MG 1 44 LEU H . . 3.880 2.850 2.424 3.167 . 0 0 "[ . 1 . 2]" 1
492 1 39 THR MG 1 43 SER HB2 . . 3.160 3.084 2.589 3.197 0.037 5 0 "[ . 1 . 2]" 1
493 1 39 THR MG 1 44 LEU HB2 . . 2.400 2.010 1.825 2.244 . 0 0 "[ . 1 . 2]" 1
494 1 39 THR MG 1 93 ILE MG . . 2.950 2.244 1.837 2.699 . 0 0 "[ . 1 . 2]" 1
495 1 39 THR MG 1 40 THR H . . 3.700 3.422 3.184 3.538 . 0 0 "[ . 1 . 2]" 1
496 1 39 THR HA 1 39 THR MG . . 3.220 2.640 2.515 2.706 . 0 0 "[ . 1 . 2]" 1
497 1 39 THR MG 1 43 SER HB3 . . 3.200 3.012 2.237 3.220 0.020 11 0 "[ . 1 . 2]" 1
498 1 54 LEU H 1 54 LEU MD2 . . 3.860 3.070 2.799 3.285 . 0 0 "[ . 1 . 2]" 1
499 1 54 LEU MD2 1 76 PHE QE . . 3.560 2.716 2.477 2.920 . 0 0 "[ . 1 . 2]" 1
500 1 54 LEU MD2 1 76 PHE HA . . 3.540 2.410 2.117 2.634 . 0 0 "[ . 1 . 2]" 1
501 1 54 LEU HA 1 54 LEU MD2 . . 3.270 2.137 1.976 2.372 . 0 0 "[ . 1 . 2]" 1
502 1 54 LEU MD2 1 74 VAL HB . . 3.410 2.030 1.946 2.149 . 0 0 "[ . 1 . 2]" 1
503 1 54 LEU MD2 1 74 VAL MG1 . . 3.140 3.143 3.069 3.175 0.035 13 0 "[ . 1 . 2]" 1
504 1 54 LEU MD2 1 74 VAL MG2 . . 3.720 2.897 2.630 3.238 . 0 0 "[ . 1 . 2]" 1
505 1 12 LEU HA 1 12 LEU MD2 . . 3.960 2.828 2.034 3.813 . 0 0 "[ . 1 . 2]" 1
506 1 71 PHE HA 1 72 GLY H . . 3.520 2.343 2.294 2.384 . 0 0 "[ . 1 . 2]" 1
507 1 60 MET HA 1 61 ARG H . . 3.100 2.326 2.254 2.405 . 0 0 "[ . 1 . 2]" 1
508 1 75 THR MG 1 76 PHE H . . 3.830 3.384 3.182 3.538 . 0 0 "[ . 1 . 2]" 1
509 1 29 LYS HA 1 75 THR MG . . 4.080 2.822 2.414 3.063 . 0 0 "[ . 1 . 2]" 1
510 1 75 THR HA 1 75 THR MG . . 3.380 2.246 2.154 2.327 . 0 0 "[ . 1 . 2]" 1
511 1 28 ARG QB 1 75 THR MG . . 3.970 2.611 2.299 3.214 . 0 0 "[ . 1 . 2]" 1
512 1 29 LYS QB 1 75 THR MG . . 3.430 2.565 2.078 2.893 . 0 0 "[ . 1 . 2]" 1
513 1 74 VAL H 1 74 VAL MG1 . . 3.900 3.141 3.056 3.253 . 0 0 "[ . 1 . 2]" 1
514 1 48 TYR QD 1 74 VAL MG1 . . 3.820 3.458 3.185 3.829 0.009 5 0 "[ . 1 . 2]" 1
515 1 74 VAL HA 1 74 VAL MG1 . . 3.330 2.219 2.173 2.327 . 0 0 "[ . 1 . 2]" 1
516 1 57 CYS QB 1 74 VAL MG1 . . 3.620 2.844 2.447 3.322 . 0 0 "[ . 1 . 2]" 1
517 1 32 ILE HG12 1 74 VAL MG1 . . 3.990 2.467 2.270 2.740 . 0 0 "[ . 1 . 2]" 1
518 1 54 LEU MD1 1 74 VAL MG1 . . 2.400 1.905 1.705 2.402 0.002 8 0 "[ . 1 . 2]" 1
519 1 35 LEU HA 1 36 SER H . . 3.360 3.285 3.205 3.387 0.027 11 0 "[ . 1 . 2]" 1
520 1 35 LEU HA 1 98 VAL MG1 . . 3.160 2.759 2.408 3.102 . 0 0 "[ . 1 . 2]" 1
521 1 82 VAL MG2 1 83 ASP H . . 3.960 3.488 2.141 3.778 . 0 0 "[ . 1 . 2]" 1
522 1 82 VAL H 1 82 VAL MG2 . . 4.150 3.663 2.945 3.703 . 0 0 "[ . 1 . 2]" 1
523 1 30 LEU MD2 1 82 VAL MG2 . . 2.400 1.898 1.701 2.411 0.011 14 0 "[ . 1 . 2]" 1
524 1 79 MET ME 1 82 VAL MG2 . . 3.820 3.603 3.027 3.823 0.003 2 0 "[ . 1 . 2]" 1
525 1 98 VAL MG1 1 99 GLU H . . 4.350 3.894 3.797 4.036 . 0 0 "[ . 1 . 2]" 1
526 1 93 ILE MD 1 98 VAL MG1 . . 3.460 2.816 2.294 3.521 0.061 20 0 "[ . 1 . 2]" 1
527 1 93 ILE H 1 98 VAL MG1 . . 3.900 2.175 1.893 2.582 . 0 0 "[ . 1 . 2]" 1
528 1 98 VAL HA 1 98 VAL MG1 . . 3.190 2.504 2.354 2.580 . 0 0 "[ . 1 . 2]" 1
529 1 96 ARG QG 1 98 VAL MG1 . . 3.740 2.681 2.001 4.025 0.285 20 0 "[ . 1 . 2]" 1
530 1 59 VAL H 1 59 VAL QG . . 3.780 1.960 1.923 2.048 . 0 0 "[ . 1 . 2]" 1
531 1 40 THR HA 1 59 VAL QG . . 3.800 2.656 2.149 3.071 . 0 0 "[ . 1 . 2]" 1
532 1 40 THR MG 1 41 GLU H . . 4.050 3.718 3.448 3.912 . 0 0 "[ . 1 . 2]" 1
533 1 40 THR H 1 40 THR MG . . 3.570 2.256 1.908 2.864 . 0 0 "[ . 1 . 2]" 1
534 1 40 THR HA 1 40 THR MG . . 3.250 2.385 2.115 2.576 . 0 0 "[ . 1 . 2]" 1
535 1 58 VAL H 1 58 VAL MG1 . . 3.920 3.663 3.629 3.696 . 0 0 "[ . 1 . 2]" 1
536 1 58 VAL MG1 1 73 PHE QE . . 3.640 2.585 2.315 2.819 . 0 0 "[ . 1 . 2]" 1
537 1 58 VAL HA 1 58 VAL MG1 . . 3.220 2.559 2.533 2.589 . 0 0 "[ . 1 . 2]" 1
538 1 58 VAL MG1 1 73 PHE HB2 . . 4.050 3.962 3.852 4.061 0.011 12 0 "[ . 1 . 2]" 1
539 1 58 VAL MG1 1 60 MET H . . 4.080 3.686 3.528 3.865 . 0 0 "[ . 1 . 2]" 1
540 1 41 GLU HG3 1 59 VAL QG . . 3.790 1.966 1.828 3.197 . 0 0 "[ . 1 . 2]" 1
541 1 59 VAL QG 1 61 ARG HG2 . . 3.580 3.059 2.572 3.295 . 0 0 "[ . 1 . 2]" 1
542 1 14 THR HA 1 14 THR MG . . 3.300 2.827 2.392 3.246 . 0 0 "[ . 1 . 2]" 1
543 1 55 THR H 1 55 THR MG . . 3.550 2.033 1.874 2.453 . 0 0 "[ . 1 . 2]" 1
544 1 55 THR HA 1 55 THR MG . . 2.620 2.471 2.321 2.611 . 0 0 "[ . 1 . 2]" 1
545 1 55 THR MG 1 77 SER HB3 . . 3.910 3.591 2.857 4.129 0.219 15 0 "[ . 1 . 2]" 1
546 1 97 VAL H 1 97 VAL MG2 . . 3.250 2.390 2.112 2.565 . 0 0 "[ . 1 . 2]" 1
547 1 97 VAL MG2 1 98 VAL H . . 4.680 4.256 4.144 4.328 . 0 0 "[ . 1 . 2]" 1
548 1 97 VAL HA 1 97 VAL MG2 . . 3.160 2.354 2.243 2.489 . 0 0 "[ . 1 . 2]" 1
549 1 92 SER HB3 1 97 VAL MG2 . . 3.810 3.429 3.000 3.837 0.027 20 0 "[ . 1 . 2]" 1
550 1 97 VAL MG1 1 98 VAL H . . 3.650 3.259 2.789 3.693 0.043 19 0 "[ . 1 . 2]" 1
551 1 97 VAL HA 1 97 VAL MG1 . . 3.270 2.442 2.363 2.521 . 0 0 "[ . 1 . 2]" 1
552 1 97 VAL H 1 97 VAL MG1 . . 4.130 3.737 3.700 3.774 . 0 0 "[ . 1 . 2]" 1
553 1 30 LEU HA 1 31 PHE H . . 3.460 2.327 2.184 2.488 . 0 0 "[ . 1 . 2]" 1
554 1 104 VAL H 1 104 VAL QG . . 3.840 2.070 1.824 2.903 . 0 0 "[ . 1 . 2]" 1
555 1 91 HIS HA 1 92 SER H . . 3.270 2.210 2.186 2.323 . 0 0 "[ . 1 . 2]" 1
556 1 15 VAL HA 1 15 VAL MG2 . . 3.590 3.104 2.496 3.220 . 0 0 "[ . 1 . 2]" 1
557 1 15 VAL MG2 1 16 PRO HD3 . . 5.500 4.144 2.879 4.645 . 0 0 "[ . 1 . 2]" 1
558 1 58 VAL MG2 1 59 VAL H . . 3.660 3.688 3.660 3.734 0.074 12 0 "[ . 1 . 2]" 1
559 1 58 VAL MG2 1 73 PHE QD . . 4.040 3.881 3.577 4.016 . 0 0 "[ . 1 . 2]" 1
560 1 58 VAL HA 1 58 VAL MG2 . . 3.570 2.113 2.077 2.143 . 0 0 "[ . 1 . 2]" 1
561 1 15 VAL H 1 15 VAL MG1 . . 4.350 2.573 1.945 3.225 . 0 0 "[ . 1 . 2]" 1
562 1 59 VAL QG 1 60 MET H . . 3.520 2.933 2.810 3.080 . 0 0 "[ . 1 . 2]" 1
563 1 26 GLN QG 1 104 VAL QG . . 3.250 2.641 1.848 3.205 . 0 0 "[ . 1 . 2]" 1
564 1 103 ALA MB 1 104 VAL QG . . 3.680 3.246 2.562 3.548 . 0 0 "[ . 1 . 2]" 1
565 1 51 TRP HE1 1 88 ALA MB . . 3.370 2.447 2.134 2.711 . 0 0 "[ . 1 . 2]" 1
566 1 51 TRP HZ2 1 88 ALA MB . . 3.120 2.350 2.012 2.737 . 0 0 "[ . 1 . 2]" 1
567 1 88 ALA H 1 88 ALA MB . . 3.010 2.483 2.244 2.604 . 0 0 "[ . 1 . 2]" 1
568 1 85 ALA HA 1 88 ALA MB . . 3.680 2.061 1.906 2.314 . 0 0 "[ . 1 . 2]" 1
569 1 87 ALA H 1 88 ALA MB . . 4.180 3.668 3.473 3.959 . 0 0 "[ . 1 . 2]" 1
570 1 32 ILE MG 1 33 GLY H . . 4.100 2.481 2.299 2.760 . 0 0 "[ . 1 . 2]" 1
571 1 74 VAL H 1 74 VAL MG2 . . 3.640 2.086 1.941 2.237 . 0 0 "[ . 1 . 2]" 1
572 1 74 VAL MG2 1 76 PHE QE . . 3.770 2.849 2.236 3.326 . 0 0 "[ . 1 . 2]" 1
573 1 30 LEU HB2 1 74 VAL MG2 . . 3.320 2.212 2.036 2.652 . 0 0 "[ . 1 . 2]" 1
574 1 32 ILE HG12 1 74 VAL MG2 . . 3.490 2.312 2.019 2.559 . 0 0 "[ . 1 . 2]" 1
575 1 30 LEU MD2 1 74 VAL MG2 . . 3.340 3.140 1.849 3.349 0.009 18 0 "[ . 1 . 2]" 1
576 1 105 ALA H 1 105 ALA MB . . 3.510 2.729 1.991 2.970 . 0 0 "[ . 1 . 2]" 1
577 1 104 VAL HB 1 105 ALA MB . . 3.930 3.608 3.163 3.977 0.047 18 0 "[ . 1 . 2]" 1
578 1 99 GLU HA 1 100 PRO HD2 . . 3.180 2.233 2.225 2.257 . 0 0 "[ . 1 . 2]" 1
579 1 99 GLU HA 1 100 PRO HD3 . . 3.330 2.042 2.006 2.055 . 0 0 "[ . 1 . 2]" 1
580 1 64 ALA H 1 64 ALA MB . . 3.000 2.231 2.095 2.359 . 0 0 "[ . 1 . 2]" 1
581 1 26 GLN HA 1 103 ALA MB . . 3.930 3.505 2.826 3.948 0.018 18 0 "[ . 1 . 2]" 1
582 1 103 ALA H 1 103 ALA MB . . 3.250 2.644 1.951 2.993 . 0 0 "[ . 1 . 2]" 1
583 1 103 ALA MB 1 104 VAL H . . 3.780 3.491 2.232 3.792 0.012 17 0 "[ . 1 . 2]" 1
584 1 31 PHE QD 1 103 ALA MB . . 3.680 3.464 3.147 3.684 0.004 3 0 "[ . 1 . 2]" 1
585 1 29 LYS QE 1 103 ALA MB . . 4.070 3.546 1.787 4.064 . 0 0 "[ . 1 . 2]" 1
586 1 29 LYS QD 1 103 ALA MB . . 5.500 2.517 1.716 4.820 . 0 0 "[ . 1 . 2]" 1
587 1 29 LYS HG2 1 103 ALA MB . . 4.290 2.939 1.905 3.530 . 0 0 "[ . 1 . 2]" 1
588 1 91 HIS HB2 1 98 VAL MG2 . . 3.550 2.251 1.898 2.532 . 0 0 "[ . 1 . 2]" 1
589 1 15 VAL HA 1 16 PRO HD2 . . 3.050 2.569 2.240 2.805 . 0 0 "[ . 1 . 2]" 1
590 1 15 VAL HA 1 16 PRO HD3 . . 3.210 1.973 1.914 2.048 . 0 0 "[ . 1 . 2]" 1
591 1 98 VAL H 1 98 VAL MG2 . . 3.270 2.354 2.190 2.512 . 0 0 "[ . 1 . 2]" 1
592 1 98 VAL HA 1 98 VAL MG2 . . 3.720 3.182 3.167 3.205 . 0 0 "[ . 1 . 2]" 1
593 1 85 ALA MB 1 86 MET H . . 3.620 2.621 2.427 2.901 . 0 0 "[ . 1 . 2]" 1
594 1 85 ALA H 1 85 ALA MB . . 2.840 2.094 1.935 2.178 . 0 0 "[ . 1 . 2]" 1
595 1 48 TYR QD 1 85 ALA MB . . 3.710 2.727 2.362 3.019 . 0 0 "[ . 1 . 2]" 1
596 1 76 PHE QE 1 85 ALA MB . . 3.550 2.600 2.268 3.048 . 0 0 "[ . 1 . 2]" 1
597 1 85 ALA MB 1 91 HIS HE1 . . 3.650 2.567 1.952 3.640 . 0 0 "[ . 1 . 2]" 1
598 1 48 TYR QE 1 85 ALA MB . . 3.740 2.565 2.032 2.952 . 0 0 "[ . 1 . 2]" 1
599 1 51 TRP HB3 1 85 ALA MB . . 3.910 3.043 2.623 3.313 . 0 0 "[ . 1 . 2]" 1
600 1 51 TRP HB2 1 85 ALA MB . . 3.460 2.983 2.479 3.252 . 0 0 "[ . 1 . 2]" 1
601 1 84 ALA MB 1 85 ALA MB . . 4.050 3.616 3.441 3.761 . 0 0 "[ . 1 . 2]" 1
602 1 30 LEU MD2 1 85 ALA MB . . 3.590 2.969 2.520 3.536 . 0 0 "[ . 1 . 2]" 1
603 1 81 GLU HA 1 84 ALA MB . . 3.150 2.609 2.473 2.766 . 0 0 "[ . 1 . 2]" 1
604 1 87 ALA H 1 87 ALA MB . . 3.100 2.286 2.147 2.426 . 0 0 "[ . 1 . 2]" 1
605 1 84 ALA HA 1 87 ALA MB . . 3.410 3.319 3.074 3.419 0.009 11 0 "[ . 1 . 2]" 1
606 1 80 ALA H 1 80 ALA MB . . 3.560 2.164 2.112 2.252 . 0 0 "[ . 1 . 2]" 1
607 1 80 ALA MB 1 81 GLU H . . 3.730 2.219 2.072 2.848 . 0 0 "[ . 1 . 2]" 1
608 1 78 SER HB3 1 80 ALA MB . . 3.730 3.156 2.724 4.343 0.613 19 1 "[ . 1 . +2]" 1
609 1 84 ALA MB 1 85 ALA H . . 2.860 2.304 2.049 2.660 . 0 0 "[ . 1 . 2]" 1
610 1 84 ALA H 1 84 ALA MB . . 2.940 2.106 1.963 2.176 . 0 0 "[ . 1 . 2]" 1
611 1 51 TRP HB3 1 84 ALA MB . . 3.810 2.583 2.106 2.725 . 0 0 "[ . 1 . 2]" 1
612 1 51 TRP HD1 1 84 ALA MB . . 3.420 2.636 2.080 3.063 . 0 0 "[ . 1 . 2]" 1
613 1 87 ALA MB 1 88 ALA H . . 3.890 3.775 3.734 3.788 . 0 0 "[ . 1 . 2]" 1
614 1 60 MET ME 1 73 PHE QD . . 3.740 3.370 3.045 3.710 . 0 0 "[ . 1 . 2]" 1
615 1 60 MET HA 1 60 MET ME . . 4.000 2.009 1.927 2.100 . 0 0 "[ . 1 . 2]" 1
616 1 60 MET ME 1 60 MET HG3 . . 3.970 3.258 3.201 3.286 . 0 0 "[ . 1 . 2]" 1
617 1 58 VAL MG1 1 60 MET ME . . 3.550 1.835 1.737 1.912 . 0 0 "[ . 1 . 2]" 1
618 1 30 LEU H 1 30 LEU HB3 . . 4.170 3.470 3.229 3.760 . 0 0 "[ . 1 . 2]" 1
619 1 30 LEU HB3 1 31 PHE H . . 4.290 3.007 2.486 3.567 . 0 0 "[ . 1 . 2]" 1
620 1 30 LEU MD1 1 86 MET HG2 . . 4.430 3.756 3.487 4.006 . 0 0 "[ . 1 . 2]" 1
621 1 30 LEU MD1 1 102 ARG H . . 5.500 5.308 4.402 5.585 0.085 2 0 "[ . 1 . 2]" 1
622 1 30 LEU MD1 1 31 PHE H . . 4.330 4.127 3.721 4.302 . 0 0 "[ . 1 . 2]" 1
623 1 30 LEU H 1 30 LEU MD1 . . 4.160 2.920 2.593 3.362 . 0 0 "[ . 1 . 2]" 1
624 1 29 LYS HA 1 29 LYS HG2 . . 3.830 2.796 2.475 3.625 . 0 0 "[ . 1 . 2]" 1
625 1 29 LYS HA 1 29 LYS QD . . 3.980 3.902 3.292 4.088 0.108 15 0 "[ . 1 . 2]" 1
626 1 29 LYS HA 1 29 LYS HG3 . . 3.610 2.990 2.405 3.341 . 0 0 "[ . 1 . 2]" 1
627 1 29 LYS HA 1 76 PHE H . . 4.140 4.107 3.847 4.166 0.026 8 0 "[ . 1 . 2]" 1
628 1 29 LYS QB 1 30 LEU H . . 4.590 3.923 3.779 3.961 . 0 0 "[ . 1 . 2]" 1
629 1 29 LYS QD 1 73 PHE HB3 . . 4.620 3.158 2.497 3.601 . 0 0 "[ . 1 . 2]" 1
630 1 29 LYS QD 1 73 PHE QD . . 3.890 2.866 2.167 3.957 0.067 15 0 "[ . 1 . 2]" 1
631 1 29 LYS QE 1 73 PHE HB2 . . 4.480 3.650 2.995 4.282 . 0 0 "[ . 1 . 2]" 1
632 1 29 LYS QE 1 73 PHE HB3 . . 4.180 2.951 1.973 3.524 . 0 0 "[ . 1 . 2]" 1
633 1 29 LYS QE 1 73 PHE QD . . 3.810 2.814 1.868 3.552 . 0 0 "[ . 1 . 2]" 1
634 1 29 LYS QE 1 73 PHE QE . . 4.310 3.761 3.062 4.254 . 0 0 "[ . 1 . 2]" 1
635 1 28 ARG QB 1 29 LYS H . . 4.440 3.617 3.059 3.976 . 0 0 "[ . 1 . 2]" 1
636 1 28 ARG H 1 28 ARG QB . . 3.900 2.544 2.309 2.896 . 0 0 "[ . 1 . 2]" 1
637 1 28 ARG H 1 28 ARG HG2 . . 4.390 3.506 2.014 4.500 0.110 2 0 "[ . 1 . 2]" 1
638 1 28 ARG HA 1 28 ARG HG2 . . 4.000 2.903 2.410 3.557 . 0 0 "[ . 1 . 2]" 1
639 1 26 GLN QG 1 27 PHE HB3 . . 5.000 4.871 4.641 5.541 0.541 20 1 "[ . 1 . +]" 1
640 1 26 GLN HA 1 29 LYS QD . . 4.120 2.744 2.038 4.124 0.004 19 0 "[ . 1 . 2]" 1
641 1 26 GLN QB 1 103 ALA MB . . 4.160 3.749 2.872 4.197 0.037 14 0 "[ . 1 . 2]" 1
642 1 26 GLN QB 1 27 PHE H . . 4.480 3.611 2.495 3.869 . 0 0 "[ . 1 . 2]" 1
643 1 26 GLN QB 1 27 PHE QD . . 4.410 4.165 3.826 4.394 . 0 0 "[ . 1 . 2]" 1
644 1 26 GLN HA 1 29 LYS QB . . 3.650 1.995 1.969 2.055 . 0 0 "[ . 1 . 2]" 1
645 1 26 GLN HA 1 28 ARG H . . 4.460 4.377 4.185 4.474 0.014 15 0 "[ . 1 . 2]" 1
646 1 26 GLN QG 1 27 PHE QD . . 3.770 2.317 2.008 3.440 . 0 0 "[ . 1 . 2]" 1
647 1 25 GLU HA 1 75 THR MG . . 4.510 3.574 2.862 4.157 . 0 0 "[ . 1 . 2]" 1
648 1 25 GLU H 1 25 GLU HB2 . . 3.670 2.227 2.042 2.593 . 0 0 "[ . 1 . 2]" 1
649 1 25 GLU QG 1 75 THR MG . . 3.920 3.064 2.038 3.922 0.002 14 0 "[ . 1 . 2]" 1
650 1 42 GLU H 1 42 GLU QG . . 4.040 3.471 2.247 3.943 . 0 0 "[ . 1 . 2]" 1
651 1 24 LYS HA 1 27 PHE QD . . 4.460 3.274 2.213 3.892 . 0 0 "[ . 1 . 2]" 1
652 1 21 LYS QB 1 22 ARG H . . 3.880 2.851 2.021 3.716 . 0 0 "[ . 1 . 2]" 1
653 1 31 PHE HB2 1 73 PHE QE . . 4.290 3.892 3.431 4.291 0.001 6 0 "[ . 1 . 2]" 1
654 1 31 PHE HB2 1 32 ILE H . . 4.670 4.546 4.458 4.624 . 0 0 "[ . 1 . 2]" 1
655 1 31 PHE HB3 1 32 ILE H . . 4.680 4.468 4.438 4.538 . 0 0 "[ . 1 . 2]" 1
656 1 31 PHE HB3 1 101 LYS H . . 4.670 3.738 3.406 3.995 . 0 0 "[ . 1 . 2]" 1
657 1 32 ILE HA 1 101 LYS H . . 4.330 3.030 2.565 3.467 . 0 0 "[ . 1 . 2]" 1
658 1 32 ILE HB 1 72 GLY H . . 4.260 2.726 2.559 3.016 . 0 0 "[ . 1 . 2]" 1
659 1 32 ILE HG13 1 48 TYR QE . . 4.990 3.622 3.221 4.250 . 0 0 "[ . 1 . 2]" 1
660 1 32 ILE MD 1 74 VAL MG2 . . 3.510 1.879 1.733 2.096 . 0 0 "[ . 1 . 2]" 1
661 1 32 ILE MD 1 32 ILE MG . . 2.790 1.993 1.902 2.119 . 0 0 "[ . 1 . 2]" 1
662 1 32 ILE HB 1 32 ILE MD . . 3.260 3.200 3.193 3.206 . 0 0 "[ . 1 . 2]" 1
663 1 32 ILE MD 1 100 PRO HB2 . . 3.890 3.192 3.029 3.410 . 0 0 "[ . 1 . 2]" 1
664 1 32 ILE MD 1 100 PRO HB3 . . 3.540 2.187 1.882 2.456 . 0 0 "[ . 1 . 2]" 1
665 1 32 ILE HA 1 32 ILE MD . . 3.550 2.046 1.969 2.169 . 0 0 "[ . 1 . 2]" 1
666 1 32 ILE MD 1 100 PRO HA . . 3.530 2.527 2.372 2.777 . 0 0 "[ . 1 . 2]" 1
667 1 32 ILE MD 1 48 TYR QE . . 3.870 2.737 2.148 3.319 . 0 0 "[ . 1 . 2]" 1
668 1 32 ILE MD 1 48 TYR QD . . 5.320 3.693 3.317 4.046 . 0 0 "[ . 1 . 2]" 1
669 1 32 ILE MD 1 33 GLY H . . 4.690 3.798 3.750 3.854 . 0 0 "[ . 1 . 2]" 1
670 1 32 ILE H 1 32 ILE MD . . 3.820 2.877 2.513 3.117 . 0 0 "[ . 1 . 2]" 1
671 1 31 PHE H 1 32 ILE MD . . 5.170 3.853 3.537 4.292 . 0 0 "[ . 1 . 2]" 1
672 1 32 ILE MD 1 101 LYS H . . 4.050 3.047 2.698 3.406 . 0 0 "[ . 1 . 2]" 1
673 1 32 ILE MD 1 48 TYR HH . . 4.540 3.211 2.661 4.175 . 0 0 "[ . 1 . 2]" 1
674 1 31 PHE QE 1 33 GLY HA3 . . 4.090 3.235 2.638 3.781 . 0 0 "[ . 1 . 2]" 1
675 1 33 GLY HA3 1 99 GLU HB2 . . 5.350 5.110 4.713 5.381 0.031 19 0 "[ . 1 . 2]" 1
676 1 34 GLY HA2 1 98 VAL MG1 . . 5.010 4.642 4.253 4.963 . 0 0 "[ . 1 . 2]" 1
677 1 33 GLY HA2 1 34 GLY HA2 . . 4.380 4.414 4.368 4.463 0.083 12 0 "[ . 1 . 2]" 1
678 1 34 GLY HA3 1 98 VAL HA . . 4.340 2.728 2.033 3.213 . 0 0 "[ . 1 . 2]" 1
679 1 34 GLY HA3 1 98 VAL MG1 . . 5.390 3.806 3.338 4.142 . 0 0 "[ . 1 . 2]" 1
680 1 35 LEU H 1 35 LEU HB2 . . 3.970 2.489 2.307 2.654 . 0 0 "[ . 1 . 2]" 1
681 1 34 GLY H 1 35 LEU QD . . 5.130 3.116 2.084 3.789 . 0 0 "[ . 1 . 2]" 1
682 1 36 SER HB3 1 96 ARG QG . . 4.450 2.411 1.981 3.180 . 0 0 "[ . 1 . 2]" 1
683 1 36 SER HB3 1 39 THR H . . 4.560 3.981 3.363 4.629 0.069 16 0 "[ . 1 . 2]" 1
684 1 36 SER HB2 1 38 GLU H . . 5.050 4.301 3.953 4.564 . 0 0 "[ . 1 . 2]" 1
685 1 36 SER HB3 1 38 GLU H . . 5.180 3.401 2.837 3.759 . 0 0 "[ . 1 . 2]" 1
686 1 36 SER H 1 36 SER HB2 . . 3.820 3.609 3.268 3.895 0.075 8 0 "[ . 1 . 2]" 1
687 1 37 PHE HA 1 68 SER HB2 . . 3.930 2.778 1.988 3.812 . 0 0 "[ . 1 . 2]" 1
688 1 37 PHE HA 1 68 SER HB3 . . 4.030 2.676 1.991 3.398 . 0 0 "[ . 1 . 2]" 1
689 1 37 PHE HB3 1 68 SER HB2 . . 4.630 3.258 2.046 4.663 0.033 5 0 "[ . 1 . 2]" 1
690 1 35 LEU QD 1 39 THR HB . . 3.800 3.242 2.783 3.607 . 0 0 "[ . 1 . 2]" 1
691 1 35 LEU HB3 1 39 THR HB . . 3.380 2.098 1.974 2.521 . 0 0 "[ . 1 . 2]" 1
692 1 39 THR HA 1 93 ILE MG . . 4.960 4.079 3.660 4.501 . 0 0 "[ . 1 . 2]" 1
693 1 39 THR HA 1 40 THR MG . . 4.310 3.769 3.500 4.343 0.033 12 0 "[ . 1 . 2]" 1
694 1 40 THR MG 1 43 SER H . . 4.880 4.360 4.135 4.653 . 0 0 "[ . 1 . 2]" 1
695 1 41 GLU HA 1 44 LEU HB2 . . 4.080 4.008 3.685 4.105 0.025 17 0 "[ . 1 . 2]" 1
696 1 41 GLU HA 1 44 LEU QD . . 5.040 3.108 2.554 3.524 . 0 0 "[ . 1 . 2]" 1
697 1 41 GLU HB2 1 59 VAL QG . . 5.500 3.742 1.948 4.093 . 0 0 "[ . 1 . 2]" 1
698 1 40 THR HB 1 41 GLU HB2 . . 4.650 4.132 3.937 4.320 . 0 0 "[ . 1 . 2]" 1
699 1 41 GLU HB3 1 42 GLU H . . 4.280 3.465 2.175 3.697 . 0 0 "[ . 1 . 2]" 1
700 1 41 GLU H 1 41 GLU HG2 . . 4.710 2.998 2.089 4.214 . 0 0 "[ . 1 . 2]" 1
701 1 41 GLU H 1 41 GLU HG3 . . 4.070 2.209 1.937 3.703 . 0 0 "[ . 1 . 2]" 1
702 1 42 GLU HA 1 45 ARG H . . 3.640 3.264 2.893 3.645 0.005 11 0 "[ . 1 . 2]" 1
703 1 40 THR H 1 43 SER HB3 . . 4.650 3.368 3.181 3.630 . 0 0 "[ . 1 . 2]" 1
704 1 43 SER HB3 1 44 LEU H . . 3.900 3.426 2.826 3.760 . 0 0 "[ . 1 . 2]" 1
705 1 40 THR H 1 43 SER HB2 . . 4.220 2.042 1.944 2.225 . 0 0 "[ . 1 . 2]" 1
706 1 43 SER HB2 1 44 LEU H . . 3.960 2.765 2.398 3.052 . 0 0 "[ . 1 . 2]" 1
707 1 44 LEU HA 1 47 TYR HB2 . . 4.360 3.486 3.153 3.990 . 0 0 "[ . 1 . 2]" 1
708 1 44 LEU HA 1 48 TYR QD . . 4.580 3.479 3.071 3.857 . 0 0 "[ . 1 . 2]" 1
709 1 44 LEU HA 1 47 TYR H . . 4.400 3.603 3.484 3.762 . 0 0 "[ . 1 . 2]" 1
710 1 44 LEU HA 1 48 TYR QE . . 5.500 4.490 3.927 4.898 . 0 0 "[ . 1 . 2]" 1
711 1 44 LEU QD 1 48 TYR QE . . 3.130 2.171 1.920 2.610 . 0 0 "[ . 1 . 2]" 1
712 1 44 LEU H 1 44 LEU QD . . 4.210 3.676 3.521 3.743 . 0 0 "[ . 1 . 2]" 1
713 1 44 LEU QD 1 45 ARG H . . 4.280 3.356 2.721 3.651 . 0 0 "[ . 1 . 2]" 1
714 1 45 ARG HA 1 54 LEU MD2 . . 4.440 4.409 4.220 4.533 0.093 15 0 "[ . 1 . 2]" 1
715 1 45 ARG HA 1 47 TYR H . . 4.060 3.664 3.582 3.746 . 0 0 "[ . 1 . 2]" 1
716 1 46 ASN HA 1 49 GLU HB2 . . 3.750 2.677 2.482 2.842 . 0 0 "[ . 1 . 2]" 1
717 1 46 ASN HA 1 49 GLU H . . 4.250 4.159 4.013 4.244 . 0 0 "[ . 1 . 2]" 1
718 1 46 ASN HB3 1 47 TYR H . . 3.810 2.950 2.865 3.058 . 0 0 "[ . 1 . 2]" 1
719 1 47 TYR HA 1 50 GLN HE22 . . 4.420 3.802 2.983 4.727 0.307 14 0 "[ . 1 . 2]" 1
720 1 48 TYR HB3 1 74 VAL MG1 . . 4.120 3.508 3.186 3.781 . 0 0 "[ . 1 . 2]" 1
721 1 48 TYR HB3 1 76 PHE QE . . 4.620 3.785 3.452 4.052 . 0 0 "[ . 1 . 2]" 1
722 1 48 TYR HB3 1 76 PHE HZ . . 3.860 3.300 2.929 3.688 . 0 0 "[ . 1 . 2]" 1
723 1 48 TYR HB2 1 74 VAL MG1 . . 4.270 3.251 3.043 3.433 . 0 0 "[ . 1 . 2]" 1
724 1 48 TYR HB2 1 54 LEU MD1 . . 4.100 1.995 1.916 2.312 . 0 0 "[ . 1 . 2]" 1
725 1 49 GLU HG3 1 53 LYS HA . . 4.560 4.507 4.262 4.580 0.020 12 0 "[ . 1 . 2]" 1
726 1 49 GLU HG3 1 54 LEU H . . 4.340 4.212 4.047 4.348 0.008 3 0 "[ . 1 . 2]" 1
727 1 49 GLU H 1 49 GLU HG3 . . 4.250 3.642 3.525 3.914 . 0 0 "[ . 1 . 2]" 1
728 1 49 GLU HG2 1 54 LEU MD1 . . 4.260 4.102 3.699 4.280 0.020 16 0 "[ . 1 . 2]" 1
729 1 49 GLU HG2 1 54 LEU MD2 . . 5.500 4.629 4.457 4.735 . 0 0 "[ . 1 . 2]" 1
730 1 49 GLU HG2 1 54 LEU H . . 4.540 2.962 2.637 3.203 . 0 0 "[ . 1 . 2]" 1
731 1 50 GLN HA 1 50 GLN HG2 . . 3.770 3.267 2.595 3.754 . 0 0 "[ . 1 . 2]" 1
732 1 50 GLN HB3 1 50 GLN HE21 . . 4.570 3.919 3.360 4.335 . 0 0 "[ . 1 . 2]" 1
733 1 50 GLN HB3 1 51 TRP H . . 4.610 3.840 3.334 4.302 . 0 0 "[ . 1 . 2]" 1
734 1 50 GLN H 1 50 GLN HG2 . . 3.940 2.630 1.940 3.615 . 0 0 "[ . 1 . 2]" 1
735 1 50 GLN HA 1 50 GLN HG3 . . 4.210 3.618 2.751 4.118 . 0 0 "[ . 1 . 2]" 1
736 1 51 TRP HB3 1 76 PHE QE . . 4.000 3.210 2.751 3.636 . 0 0 "[ . 1 . 2]" 1
737 1 51 TRP HB2 1 76 PHE QE . . 4.100 2.478 2.209 2.840 . 0 0 "[ . 1 . 2]" 1
738 1 51 TRP HE3 1 85 ALA MB . . 4.090 2.801 2.307 3.292 . 0 0 "[ . 1 . 2]" 1
739 1 48 TYR HA 1 51 TRP HE3 . . 3.700 2.011 1.983 2.076 . 0 0 "[ . 1 . 2]" 1
740 1 48 TYR HA 1 51 TRP HZ3 . . 3.850 2.794 2.360 3.067 . 0 0 "[ . 1 . 2]" 1
741 1 47 TYR QE 1 51 TRP HZ3 . . 3.490 3.092 2.105 3.499 0.009 5 0 "[ . 1 . 2]" 1
742 1 48 TYR QD 1 51 TRP HZ3 . . 4.170 3.291 2.856 3.934 . 0 0 "[ . 1 . 2]" 1
743 1 47 TYR QE 1 51 TRP HH2 . . 2.870 2.244 1.996 2.687 . 0 0 "[ . 1 . 2]" 1
744 1 52 GLY HA2 1 81 GLU HB3 . . 4.580 3.277 3.000 3.586 . 0 0 "[ . 1 . 2]" 1
745 1 52 GLY HA2 1 81 GLU HB2 . . 4.330 4.268 4.009 4.639 0.309 14 0 "[ . 1 . 2]" 1
746 1 52 GLY HA2 1 76 PHE QD . . 4.040 3.752 3.619 4.006 . 0 0 "[ . 1 . 2]" 1
747 1 52 GLY HA3 1 81 GLU HB3 . . 4.390 2.078 1.973 2.488 . 0 0 "[ . 1 . 2]" 1
748 1 52 GLY HA3 1 81 GLU QG . . 4.220 2.706 2.304 3.558 . 0 0 "[ . 1 . 2]" 1
749 1 52 GLY HA3 1 76 PHE QD . . 3.760 2.089 1.994 2.281 . 0 0 "[ . 1 . 2]" 1
750 1 53 LYS H 1 53 LYS HG2 . . 4.580 4.383 4.201 4.553 . 0 0 "[ . 1 . 2]" 1
751 1 53 LYS HG2 1 54 LEU H . . 4.590 4.494 4.309 4.599 0.009 14 0 "[ . 1 . 2]" 1
752 1 53 LYS HG3 1 54 LEU H . . 4.520 4.150 3.971 4.329 . 0 0 "[ . 1 . 2]" 1
753 1 53 LYS H 1 53 LYS HG3 . . 4.470 3.370 3.067 3.682 . 0 0 "[ . 1 . 2]" 1
754 1 53 LYS HA 1 54 LEU HB2 . . 4.860 4.781 4.707 4.863 0.003 11 0 "[ . 1 . 2]" 1
755 1 54 LEU HB2 1 56 ASP H . . 4.820 3.837 3.581 4.247 . 0 0 "[ . 1 . 2]" 1
756 1 54 LEU HB3 1 56 ASP H . . 4.110 3.060 2.856 3.343 . 0 0 "[ . 1 . 2]" 1
757 1 54 LEU HB3 1 57 CYS QB . . 4.660 3.020 2.558 3.449 . 0 0 "[ . 1 . 2]" 1
758 1 54 LEU MD1 1 74 VAL MG2 . . 5.110 3.239 3.002 3.680 . 0 0 "[ . 1 . 2]" 1
759 1 48 TYR HB3 1 54 LEU MD1 . . 4.140 2.176 1.963 2.458 . 0 0 "[ . 1 . 2]" 1
760 1 48 TYR HA 1 54 LEU MD1 . . 4.700 4.243 4.061 4.462 . 0 0 "[ . 1 . 2]" 1
761 1 54 LEU MD1 1 76 PHE QE . . 4.760 4.411 4.102 4.703 . 0 0 "[ . 1 . 2]" 1
762 1 48 TYR QD 1 54 LEU MD1 . . 4.410 3.445 3.283 3.615 . 0 0 "[ . 1 . 2]" 1
763 1 48 TYR H 1 54 LEU MD1 . . 4.640 3.503 3.294 3.738 . 0 0 "[ . 1 . 2]" 1
764 1 49 GLU H 1 54 LEU MD1 . . 4.720 4.541 4.147 4.755 0.035 19 0 "[ . 1 . 2]" 1
765 1 48 TYR HB2 1 54 LEU MD2 . . 3.680 3.485 3.251 3.661 . 0 0 "[ . 1 . 2]" 1
766 1 48 TYR HB3 1 54 LEU MD2 . . 4.080 2.373 2.143 2.554 . 0 0 "[ . 1 . 2]" 1
767 1 53 LYS HA 1 54 LEU MD2 . . 4.550 4.101 3.846 4.354 . 0 0 "[ . 1 . 2]" 1
768 1 54 LEU MD2 1 74 VAL HA . . 4.400 3.793 3.612 3.998 . 0 0 "[ . 1 . 2]" 1
769 1 48 TYR QD 1 54 LEU MD2 . . 4.510 3.448 3.160 3.681 . 0 0 "[ . 1 . 2]" 1
770 1 54 LEU MD2 1 75 THR H . . 4.690 3.698 3.285 3.995 . 0 0 "[ . 1 . 2]" 1
771 1 54 LEU HA 1 55 THR HA . . 4.650 4.399 4.360 4.449 . 0 0 "[ . 1 . 2]" 1
772 1 55 THR HB 1 56 ASP H . . 4.910 4.156 3.910 4.438 . 0 0 "[ . 1 . 2]" 1
773 1 55 THR MG 1 56 ASP H . . 4.360 3.964 3.762 4.198 . 0 0 "[ . 1 . 2]" 1
774 1 55 THR MG 1 77 SER H . . 4.300 3.370 3.061 3.608 . 0 0 "[ . 1 . 2]" 1
775 1 56 ASP HB2 1 75 THR MG . . 4.850 3.612 2.932 4.454 . 0 0 "[ . 1 . 2]" 1
776 1 56 ASP H 1 56 ASP HB2 . . 4.150 2.977 2.719 3.237 . 0 0 "[ . 1 . 2]" 1
777 1 56 ASP HB2 1 57 CYS H . . 4.850 4.540 4.378 4.650 . 0 0 "[ . 1 . 2]" 1
778 1 56 ASP HB3 1 75 THR MG . . 4.600 3.833 3.095 4.479 . 0 0 "[ . 1 . 2]" 1
779 1 56 ASP HB3 1 58 VAL MG2 . . 4.850 4.101 3.532 4.747 . 0 0 "[ . 1 . 2]" 1
780 1 54 LEU MD2 1 57 CYS QB . . 4.990 4.351 4.046 4.568 . 0 0 "[ . 1 . 2]" 1
781 1 45 ARG HB3 1 57 CYS QB . . 5.000 4.674 4.286 5.014 0.014 16 0 "[ . 1 . 2]" 1
782 1 41 GLU HG3 1 58 VAL HA . . 4.560 4.420 3.360 4.579 0.019 17 0 "[ . 1 . 2]" 1
783 1 58 VAL HB 1 73 PHE QE . . 4.310 4.275 4.056 4.322 0.012 15 0 "[ . 1 . 2]" 1
784 1 58 VAL HB 1 59 VAL H . . 4.460 4.281 4.203 4.414 . 0 0 "[ . 1 . 2]" 1
785 1 58 VAL HB 1 73 PHE H . . 4.450 3.298 3.206 3.408 . 0 0 "[ . 1 . 2]" 1
786 1 58 VAL MG1 1 73 PHE QD . . 4.240 2.066 1.968 2.232 . 0 0 "[ . 1 . 2]" 1
787 1 58 VAL MG2 1 60 MET ME . . 3.700 3.718 3.700 3.751 0.051 13 0 "[ . 1 . 2]" 1
788 1 58 VAL H 1 58 VAL MG2 . . 4.200 3.200 3.082 3.309 . 0 0 "[ . 1 . 2]" 1
789 1 59 VAL HA 1 60 MET HG2 . . 4.520 4.093 3.913 4.215 . 0 0 "[ . 1 . 2]" 1
790 1 41 GLU HG3 1 59 VAL HB . . 4.290 3.469 1.993 5.078 0.788 16 1 "[ . 1 .+ 2]" 1
791 1 58 VAL HA 1 59 VAL HB . . 4.410 4.344 4.256 4.509 0.099 16 0 "[ . 1 . 2]" 1
792 1 41 GLU HG2 1 59 VAL QG . . 4.210 2.131 1.910 3.222 . 0 0 "[ . 1 . 2]" 1
793 1 41 GLU H 1 59 VAL QG . . 4.250 2.478 2.194 2.869 . 0 0 "[ . 1 . 2]" 1
794 1 59 VAL QG 1 69 ARG H . . 4.580 3.701 3.288 4.083 . 0 0 "[ . 1 . 2]" 1
795 1 59 VAL QG 1 70 GLY H . . 4.880 3.522 3.430 3.722 . 0 0 "[ . 1 . 2]" 1
796 1 58 VAL MG1 1 60 MET HA . . 4.150 3.705 3.610 3.806 . 0 0 "[ . 1 . 2]" 1
797 1 60 MET HA 1 60 MET HG2 . . 4.160 2.940 2.895 3.010 . 0 0 "[ . 1 . 2]" 1
798 1 60 MET QB 1 69 ARG HB3 . . 4.210 3.329 2.918 3.948 . 0 0 "[ . 1 . 2]" 1
799 1 60 MET QB 1 71 PHE QE . . 4.520 2.955 2.755 3.106 . 0 0 "[ . 1 . 2]" 1
800 1 60 MET QB 1 69 ARG QD . . 4.360 3.379 1.819 3.892 . 0 0 "[ . 1 . 2]" 1
801 1 60 MET HG3 1 72 GLY HA2 . . 4.290 4.027 3.707 4.289 . 0 0 "[ . 1 . 2]" 1
802 1 60 MET HG3 1 71 PHE QD . . 4.140 3.891 3.726 3.972 . 0 0 "[ . 1 . 2]" 1
803 1 60 MET HG2 1 72 GLY HA2 . . 3.700 2.808 2.425 3.105 . 0 0 "[ . 1 . 2]" 1
804 1 60 MET HG2 1 71 PHE QD . . 4.050 3.947 3.803 4.035 . 0 0 "[ . 1 . 2]" 1
805 1 60 MET HG2 1 73 PHE QE . . 3.800 2.298 2.007 2.898 . 0 0 "[ . 1 . 2]" 1
806 1 61 ARG HB2 1 61 ARG HD3 . . 4.090 2.846 2.025 3.772 . 0 0 "[ . 1 . 2]" 1
807 1 61 ARG HB2 1 66 LYS HA . . 4.480 3.814 2.794 4.451 . 0 0 "[ . 1 . 2]" 1
808 1 61 ARG H 1 61 ARG HB2 . . 4.200 2.797 2.534 2.974 . 0 0 "[ . 1 . 2]" 1
809 1 61 ARG HB2 1 62 ASP H . . 4.670 3.965 3.560 4.193 . 0 0 "[ . 1 . 2]" 1
810 1 61 ARG HB3 1 61 ARG HD2 . . 4.200 3.304 2.324 4.087 . 0 0 "[ . 1 . 2]" 1
811 1 61 ARG HB3 1 66 LYS HA . . 4.070 3.484 2.717 4.040 . 0 0 "[ . 1 . 2]" 1
812 1 61 ARG HB3 1 62 ASP H . . 4.520 3.080 2.526 3.435 . 0 0 "[ . 1 . 2]" 1
813 1 62 ASP QB 1 63 PRO HD2 . . 4.650 3.222 2.482 3.755 . 0 0 "[ . 1 . 2]" 1
814 1 62 ASP QB 1 67 ARG H . . 4.190 2.398 1.954 2.705 . 0 0 "[ . 1 . 2]" 1
815 1 31 PHE HB2 1 103 ALA MB . . 4.080 2.281 1.901 2.970 . 0 0 "[ . 1 . 2]" 1
816 1 63 PRO HD2 1 64 ALA MB . . 4.420 3.498 3.395 3.633 . 0 0 "[ . 1 . 2]" 1
817 1 65 SER HB2 1 67 ARG H . . 4.760 3.397 2.161 4.640 . 0 0 "[ . 1 . 2]" 1
818 1 65 SER H 1 65 SER HB3 . . 4.050 3.186 2.094 3.563 . 0 0 "[ . 1 . 2]" 1
819 1 65 SER HB3 1 67 ARG QG . . 4.550 2.805 2.106 4.130 . 0 0 "[ . 1 . 2]" 1
820 1 66 LYS HB2 1 66 LYS HD3 . . 4.230 3.340 2.003 4.270 0.040 13 0 "[ . 1 . 2]" 1
821 1 66 LYS HB3 1 66 LYS HD3 . . 4.050 3.268 2.477 3.656 . 0 0 "[ . 1 . 2]" 1
822 1 66 LYS HA 1 66 LYS HD3 . . 4.370 3.271 2.057 4.393 0.023 16 0 "[ . 1 . 2]" 1
823 1 59 VAL QG 1 68 SER HA . . 4.600 3.663 2.950 4.215 . 0 0 "[ . 1 . 2]" 1
824 1 61 ARG HB3 1 68 SER HA . . 3.760 2.722 2.149 3.367 . 0 0 "[ . 1 . 2]" 1
825 1 61 ARG HG3 1 68 SER HA . . 4.060 3.369 2.459 3.940 . 0 0 "[ . 1 . 2]" 1
826 1 61 ARG HA 1 68 SER HA . . 3.840 2.019 1.978 2.344 . 0 0 "[ . 1 . 2]" 1
827 1 59 VAL QG 1 68 SER HB3 . . 4.120 3.526 2.653 4.829 0.709 3 2 "[ + - 1 . 2]" 1
828 1 69 ARG HB3 1 71 PHE QE . . 4.380 2.852 2.422 3.333 . 0 0 "[ . 1 . 2]" 1
829 1 69 ARG H 1 69 ARG HB3 . . 4.130 3.395 3.132 3.538 . 0 0 "[ . 1 . 2]" 1
830 1 65 SER HB2 1 67 ARG QG . . 3.970 3.954 2.791 4.563 0.593 16 2 "[ . 1 -+ 2]" 1
831 1 62 ASP QB 1 67 ARG QG . . 4.620 4.184 3.435 4.498 . 0 0 "[ . 1 . 2]" 1
832 1 69 ARG H 1 69 ARG HG2 . . 4.430 3.546 2.686 4.488 0.058 7 0 "[ . 1 . 2]" 1
833 1 62 ASP H 1 69 ARG HG2 . . 5.030 2.815 2.043 4.076 . 0 0 "[ . 1 . 2]" 1
834 1 61 ARG HA 1 69 ARG HG3 . . 4.310 3.344 2.856 4.184 . 0 0 "[ . 1 . 2]" 1
835 1 62 ASP H 1 69 ARG HG3 . . 4.400 3.373 2.112 4.173 . 0 0 "[ . 1 . 2]" 1
836 1 69 ARG H 1 69 ARG HG3 . . 4.130 3.525 2.882 4.126 . 0 0 "[ . 1 . 2]" 1
837 1 69 ARG HB2 1 69 ARG QD . . 3.890 3.029 2.278 3.288 . 0 0 "[ . 1 . 2]" 1
838 1 69 ARG HB3 1 69 ARG QD . . 3.880 2.171 1.961 2.548 . 0 0 "[ . 1 . 2]" 1
839 1 69 ARG HA 1 69 ARG QD . . 4.500 3.509 3.032 3.952 . 0 0 "[ . 1 . 2]" 1
840 1 35 LEU HB2 1 70 GLY HA3 . . 4.310 3.618 3.169 3.885 . 0 0 "[ . 1 . 2]" 1
841 1 37 PHE QD 1 70 GLY HA3 . . 3.910 2.732 1.993 3.936 0.026 12 0 "[ . 1 . 2]" 1
842 1 35 LEU HB3 1 70 GLY HA2 . . 4.390 3.758 3.513 4.050 . 0 0 "[ . 1 . 2]" 1
843 1 35 LEU HB2 1 70 GLY HA2 . . 4.120 2.164 1.994 2.361 . 0 0 "[ . 1 . 2]" 1
844 1 37 PHE QD 1 70 GLY HA2 . . 4.270 2.903 1.990 4.004 . 0 0 "[ . 1 . 2]" 1
845 1 33 GLY HA2 1 71 PHE HA . . 4.220 2.935 2.749 3.116 . 0 0 "[ . 1 . 2]" 1
846 1 71 PHE HA 1 71 PHE QD . . 4.360 3.593 3.510 3.726 . 0 0 "[ . 1 . 2]" 1
847 1 35 LEU H 1 71 PHE HA . . 4.710 3.850 3.425 4.125 . 0 0 "[ . 1 . 2]" 1
848 1 33 GLY HA3 1 71 PHE HB3 . . 4.330 4.262 3.968 4.361 0.031 20 0 "[ . 1 . 2]" 1
849 1 34 GLY H 1 71 PHE HB3 . . 4.230 3.167 2.826 3.717 . 0 0 "[ . 1 . 2]" 1
850 1 33 GLY HA2 1 71 PHE HB2 . . 4.190 2.277 2.073 2.715 . 0 0 "[ . 1 . 2]" 1
851 1 72 GLY HA3 1 73 PHE QD . . 4.620 3.941 3.530 4.499 . 0 0 "[ . 1 . 2]" 1
852 1 32 ILE MD 1 73 PHE HA . . 4.350 4.142 3.817 4.367 0.017 11 0 "[ . 1 . 2]" 1
853 1 32 ILE HG12 1 73 PHE HA . . 4.270 3.132 3.041 3.211 . 0 0 "[ . 1 . 2]" 1
854 1 32 ILE HG13 1 73 PHE HA . . 4.680 4.707 4.682 4.732 0.052 15 0 "[ . 1 . 2]" 1
855 1 32 ILE HB 1 73 PHE HA . . 4.750 4.701 4.515 4.782 0.032 20 0 "[ . 1 . 2]" 1
856 1 73 PHE HA 1 73 PHE QD . . 3.970 3.134 2.866 3.324 . 0 0 "[ . 1 . 2]" 1
857 1 58 VAL MG2 1 73 PHE HB2 . . 4.150 4.178 4.118 4.208 0.058 12 0 "[ . 1 . 2]" 1
858 1 58 VAL HB 1 73 PHE HB2 . . 4.300 2.917 2.808 2.974 . 0 0 "[ . 1 . 2]" 1
859 1 48 TYR HB2 1 74 VAL MG2 . . 4.500 4.515 4.448 4.538 0.038 14 0 "[ . 1 . 2]" 1
860 1 48 TYR HB3 1 74 VAL MG2 . . 4.930 3.852 3.702 3.994 . 0 0 "[ . 1 . 2]" 1
861 1 74 VAL MG2 1 75 THR HA . . 4.880 4.272 4.192 4.399 . 0 0 "[ . 1 . 2]" 1
862 1 29 LYS HA 1 74 VAL MG2 . . 5.500 4.321 3.945 4.596 . 0 0 "[ . 1 . 2]" 1
863 1 73 PHE HA 1 74 VAL MG2 . . 4.630 3.521 3.238 3.687 . 0 0 "[ . 1 . 2]" 1
864 1 48 TYR QE 1 74 VAL MG2 . . 5.390 3.619 3.232 4.163 . 0 0 "[ . 1 . 2]" 1
865 1 48 TYR QD 1 74 VAL MG2 . . 4.270 3.329 2.733 3.651 . 0 0 "[ . 1 . 2]" 1
866 1 74 VAL MG2 1 75 THR H . . 4.960 4.233 4.155 4.336 . 0 0 "[ . 1 . 2]" 1
867 1 30 LEU H 1 74 VAL MG2 . . 4.230 2.694 2.466 2.937 . 0 0 "[ . 1 . 2]" 1
868 1 74 VAL MG1 1 76 PHE QE . . 5.010 4.895 4.583 5.022 0.012 7 0 "[ . 1 . 2]" 1
869 1 48 TYR QE 1 74 VAL MG1 . . 5.040 4.151 3.938 4.701 . 0 0 "[ . 1 . 2]" 1
870 1 73 PHE HA 1 74 VAL MG1 . . 5.220 3.690 3.567 3.832 . 0 0 "[ . 1 . 2]" 1
871 1 56 ASP HB3 1 75 THR HB . . 3.670 2.869 2.074 3.676 0.006 15 0 "[ . 1 . 2]" 1
872 1 56 ASP HB2 1 75 THR HB . . 3.760 2.697 1.990 3.529 . 0 0 "[ . 1 . 2]" 1
873 1 55 THR H 1 75 THR HB . . 4.400 3.700 3.351 4.018 . 0 0 "[ . 1 . 2]" 1
874 1 29 LYS H 1 75 THR MG . . 4.620 3.879 3.225 4.373 . 0 0 "[ . 1 . 2]" 1
875 1 56 ASP H 1 75 THR MG . . 4.950 4.186 3.697 4.483 . 0 0 "[ . 1 . 2]" 1
876 1 30 LEU H 1 75 THR MG . . 4.760 4.576 4.235 4.779 0.019 14 0 "[ . 1 . 2]" 1
877 1 55 THR H 1 75 THR MG . . 5.500 4.315 4.020 4.530 . 0 0 "[ . 1 . 2]" 1
878 1 54 LEU HA 1 76 PHE HA . . 3.570 2.175 1.995 2.338 . 0 0 "[ . 1 . 2]" 1
879 1 76 PHE HA 1 76 PHE QD . . 3.850 2.860 2.742 2.995 . 0 0 "[ . 1 . 2]" 1
880 1 76 PHE HA 1 77 SER H . . 3.630 2.565 2.393 2.709 . 0 0 "[ . 1 . 2]" 1
881 1 76 PHE HB3 1 78 SER H . . 4.150 2.747 2.402 2.968 . 0 0 "[ . 1 . 2]" 1
882 1 76 PHE HB3 1 77 SER H . . 4.150 2.364 2.065 2.795 . 0 0 "[ . 1 . 2]" 1
883 1 76 PHE HB2 1 78 SER H . . 4.610 4.198 3.800 4.564 . 0 0 "[ . 1 . 2]" 1
884 1 76 PHE HB2 1 77 SER H . . 4.410 3.766 3.550 4.082 . 0 0 "[ . 1 . 2]" 1
885 1 55 THR MG 1 77 SER HB2 . . 4.140 2.609 2.261 2.999 . 0 0 "[ . 1 . 2]" 1
886 1 53 LYS QB 1 77 SER HB2 . . 4.270 3.604 3.105 4.275 0.005 11 0 "[ . 1 . 2]" 1
887 1 78 SER HB2 1 80 ALA MB . . 4.810 3.941 3.012 4.585 . 0 0 "[ . 1 . 2]" 1
888 1 78 SER HB2 1 81 GLU QG . . 4.590 3.467 1.962 4.511 . 0 0 "[ . 1 . 2]" 1
889 1 78 SER HB2 1 80 ALA H . . 4.670 3.772 2.656 4.466 . 0 0 "[ . 1 . 2]" 1
890 1 78 SER HB3 1 81 GLU QG . . 4.620 3.615 2.048 4.484 . 0 0 "[ . 1 . 2]" 1
891 1 78 SER HB3 1 81 GLU H . . 4.590 3.028 2.154 4.364 . 0 0 "[ . 1 . 2]" 1
892 1 78 SER H 1 78 SER HB3 . . 4.200 3.207 2.725 3.777 . 0 0 "[ . 1 . 2]" 1
893 1 79 MET HA 1 79 MET HG2 . . 3.880 3.609 3.485 3.893 0.013 2 0 "[ . 1 . 2]" 1
894 1 79 MET HA 1 79 MET HG3 . . 3.990 2.400 2.154 3.377 . 0 0 "[ . 1 . 2]" 1
895 1 80 ALA HA 1 83 ASP HB2 . . 3.920 2.360 2.062 2.733 . 0 0 "[ . 1 . 2]" 1
896 1 80 ALA HA 1 83 ASP HB3 . . 3.570 3.377 3.010 3.578 0.008 9 0 "[ . 1 . 2]" 1
897 1 80 ALA HA 1 84 ALA H . . 4.820 4.394 3.923 4.619 . 0 0 "[ . 1 . 2]" 1
898 1 80 ALA HA 1 83 ASP H . . 4.230 3.460 2.988 3.629 . 0 0 "[ . 1 . 2]" 1
899 1 80 ALA HA 1 82 VAL H . . 5.040 4.845 3.739 4.991 . 0 0 "[ . 1 . 2]" 1
900 1 80 ALA MB 1 81 GLU QG . . 4.040 3.193 2.907 3.752 . 0 0 "[ . 1 . 2]" 1
901 1 80 ALA MB 1 83 ASP HB2 . . 4.360 3.983 3.742 4.338 . 0 0 "[ . 1 . 2]" 1
902 1 80 ALA MB 1 82 VAL H . . 4.670 4.649 4.380 4.723 0.053 5 0 "[ . 1 . 2]" 1
903 1 76 PHE HB2 1 81 GLU HB2 . . 4.370 4.244 3.773 4.385 0.015 10 0 "[ . 1 . 2]" 1
904 1 76 PHE HB3 1 81 GLU HB2 . . 3.910 2.889 2.339 3.135 . 0 0 "[ . 1 . 2]" 1
905 1 81 GLU HB2 1 82 VAL H . . 4.450 2.306 2.191 3.102 . 0 0 "[ . 1 . 2]" 1
906 1 76 PHE QD 1 81 GLU HB2 . . 3.960 2.756 2.232 3.191 . 0 0 "[ . 1 . 2]" 1
907 1 81 GLU HB3 1 82 VAL HA . . 4.440 4.326 4.166 4.579 0.139 14 0 "[ . 1 . 2]" 1
908 1 81 GLU HB3 1 82 VAL H . . 4.630 3.393 3.179 4.039 . 0 0 "[ . 1 . 2]" 1
909 1 38 GLU H 1 38 GLU HB3 . . 3.930 3.328 2.931 3.635 . 0 0 "[ . 1 . 2]" 1
910 1 52 GLY HA2 1 81 GLU QG . . 4.200 2.803 2.362 3.816 . 0 0 "[ . 1 . 2]" 1
911 1 76 PHE QD 1 82 VAL HA . . 3.850 2.936 2.668 3.238 . 0 0 "[ . 1 . 2]" 1
912 1 82 VAL HA 1 85 ALA H . . 4.100 3.308 3.033 3.569 . 0 0 "[ . 1 . 2]" 1
913 1 76 PHE QD 1 82 VAL HB . . 4.460 2.157 2.021 2.323 . 0 0 "[ . 1 . 2]" 1
914 1 76 PHE H 1 82 VAL MG1 . . 4.600 4.450 3.385 4.604 0.004 6 0 "[ . 1 . 2]" 1
915 1 82 VAL MG1 1 83 ASP H . . 4.540 2.050 1.861 2.914 . 0 0 "[ . 1 . 2]" 1
916 1 76 PHE QD 1 82 VAL MG2 . . 4.290 2.118 1.961 3.966 . 0 0 "[ . 1 . 2]" 1
917 1 82 VAL MG2 1 86 MET H . . 4.450 3.814 3.506 4.206 . 0 0 "[ . 1 . 2]" 1
918 1 82 VAL MG2 1 83 ASP HA . . 4.570 3.604 2.821 3.789 . 0 0 "[ . 1 . 2]" 1
919 1 83 ASP HA 1 86 MET HB2 . . 4.240 2.810 2.621 2.986 . 0 0 "[ . 1 . 2]" 1
920 1 83 ASP HA 1 86 MET HG3 . . 4.400 2.448 1.996 3.148 . 0 0 "[ . 1 . 2]" 1
921 1 84 ALA HA 1 87 ALA H . . 3.450 3.367 3.222 3.459 0.009 13 0 "[ . 1 . 2]" 1
922 1 51 TRP HB2 1 84 ALA MB . . 4.170 4.096 3.622 4.189 0.019 19 0 "[ . 1 . 2]" 1
923 1 83 ASP HB3 1 84 ALA MB . . 4.600 4.098 3.814 4.406 . 0 0 "[ . 1 . 2]" 1
924 1 83 ASP H 1 84 ALA MB . . 4.960 4.271 4.133 4.352 . 0 0 "[ . 1 . 2]" 1
925 1 51 TRP HE1 1 84 ALA MB . . 4.490 4.136 3.645 4.499 0.009 15 0 "[ . 1 . 2]" 1
926 1 84 ALA MB 1 85 ALA HA . . 4.190 3.719 3.585 3.860 . 0 0 "[ . 1 . 2]" 1
927 1 51 TRP HB3 1 85 ALA HA . . 4.930 4.082 3.616 4.483 . 0 0 "[ . 1 . 2]" 1
928 1 85 ALA HA 1 91 HIS HE1 . . 4.020 3.188 2.561 3.709 . 0 0 "[ . 1 . 2]" 1
929 1 86 MET H 1 86 MET HB3 . . 3.930 3.520 3.512 3.527 . 0 0 "[ . 1 . 2]" 1
930 1 83 ASP HA 1 86 MET HB3 . . 4.310 4.175 3.974 4.290 . 0 0 "[ . 1 . 2]" 1
931 1 86 MET HA 1 86 MET HG2 . . 4.150 2.549 2.221 3.049 . 0 0 "[ . 1 . 2]" 1
932 1 86 MET HG2 1 87 ALA H . . 4.610 4.511 4.232 4.773 0.163 18 0 "[ . 1 . 2]" 1
933 1 51 TRP HH2 1 88 ALA MB . . 3.980 3.747 2.901 3.995 0.015 18 0 "[ . 1 . 2]" 1
934 1 89 ARG HA 1 89 ARG HG2 . . 3.830 2.127 1.992 2.397 . 0 0 "[ . 1 . 2]" 1
935 1 89 ARG HA 1 89 ARG HG3 . . 3.870 3.066 2.612 3.357 . 0 0 "[ . 1 . 2]" 1
936 1 89 ARG HA 1 90 PRO HA . . 3.540 2.274 2.191 2.300 . 0 0 "[ . 1 . 2]" 1
937 1 89 ARG HA 1 91 HIS H . . 4.250 3.700 3.010 3.876 . 0 0 "[ . 1 . 2]" 1
938 1 90 PRO QG 1 97 VAL MG1 . . 4.100 3.826 3.540 4.104 0.004 5 0 "[ . 1 . 2]" 1
939 1 91 HIS HA 1 98 VAL MG2 . . 4.700 3.896 3.694 4.178 . 0 0 "[ . 1 . 2]" 1
940 1 89 ARG HA 1 91 HIS HA . . 4.440 3.910 3.569 4.122 . 0 0 "[ . 1 . 2]" 1
941 1 47 TYR QE 1 91 HIS HA . . 4.250 3.397 3.029 3.929 . 0 0 "[ . 1 . 2]" 1
942 1 91 HIS H 1 91 HIS HB2 . . 4.110 2.535 2.266 2.822 . 0 0 "[ . 1 . 2]" 1
943 1 48 TYR HH 1 91 HIS HB3 . . 4.510 3.312 2.488 4.422 . 0 0 "[ . 1 . 2]" 1
944 1 48 TYR HH 1 91 HIS HB2 . . 4.460 3.795 2.490 4.240 . 0 0 "[ . 1 . 2]" 1
945 1 92 SER HA 1 98 VAL MG1 . . 3.840 3.129 2.527 3.556 . 0 0 "[ . 1 . 2]" 1
946 1 92 SER HA 1 93 ILE QG . . 4.220 3.459 3.291 3.583 . 0 0 "[ . 1 . 2]" 1
947 1 92 SER HA 1 97 VAL MG2 . . 4.010 3.828 3.603 4.013 0.003 17 0 "[ . 1 . 2]" 1
948 1 92 SER HA 1 93 ILE HB . . 4.920 4.759 4.619 4.874 . 0 0 "[ . 1 . 2]" 1
949 1 92 SER HA 1 98 VAL H . . 3.920 2.731 2.280 2.956 . 0 0 "[ . 1 . 2]" 1
950 1 92 SER HB2 1 97 VAL HA . . 4.400 4.299 3.868 4.448 0.048 20 0 "[ . 1 . 2]" 1
951 1 92 SER HB3 1 97 VAL HA . . 4.260 3.585 3.211 4.024 . 0 0 "[ . 1 . 2]" 1
952 1 92 SER H 1 92 SER HB2 . . 3.720 3.618 2.707 3.704 . 0 0 "[ . 1 . 2]" 1
953 1 92 SER H 1 92 SER HB3 . . 3.780 3.201 2.860 3.798 0.018 8 0 "[ . 1 . 2]" 1
954 1 92 SER HB3 1 93 ILE H . . 4.280 4.222 3.165 4.367 0.087 19 0 "[ . 1 . 2]" 1
955 1 92 SER HB2 1 93 ILE H . . 4.220 3.589 3.372 4.151 . 0 0 "[ . 1 . 2]" 1
956 1 93 ILE HA 1 93 ILE QG . . 3.690 2.651 2.424 3.121 . 0 0 "[ . 1 . 2]" 1
957 1 93 ILE HA 1 98 VAL MG1 . . 4.210 4.036 3.815 4.259 0.049 13 0 "[ . 1 . 2]" 1
958 1 93 ILE HB 1 93 ILE MD . . 3.290 2.534 2.232 3.205 . 0 0 "[ . 1 . 2]" 1
959 1 47 TYR HB2 1 93 ILE MD . . 3.820 3.051 2.709 3.325 . 0 0 "[ . 1 . 2]" 1
960 1 47 TYR HB3 1 93 ILE MD . . 4.090 2.640 2.187 2.905 . 0 0 "[ . 1 . 2]" 1
961 1 93 ILE HA 1 93 ILE MD . . 4.440 3.397 1.944 3.916 . 0 0 "[ . 1 . 2]" 1
962 1 44 LEU HA 1 93 ILE MD . . 3.740 3.309 2.658 3.758 0.018 17 0 "[ . 1 . 2]" 1
963 1 47 TYR QD 1 93 ILE MD . . 3.760 2.201 1.933 2.578 . 0 0 "[ . 1 . 2]" 1
964 1 47 TYR QE 1 93 ILE MD . . 3.350 2.658 2.289 3.208 . 0 0 "[ . 1 . 2]" 1
965 1 48 TYR QD 1 93 ILE MD . . 4.190 3.202 2.834 3.694 . 0 0 "[ . 1 . 2]" 1
966 1 93 ILE H 1 93 ILE MD . . 4.460 3.984 3.418 4.240 . 0 0 "[ . 1 . 2]" 1
967 1 48 TYR H 1 93 ILE MD . . 5.040 4.464 4.049 4.848 . 0 0 "[ . 1 . 2]" 1
968 1 48 TYR HH 1 93 ILE MD . . 4.390 3.170 2.202 4.248 . 0 0 "[ . 1 . 2]" 1
969 1 44 LEU QD 1 93 ILE MG . . 3.440 3.224 2.598 3.429 . 0 0 "[ . 1 . 2]" 1
970 1 93 ILE MG 1 94 ASP HB2 . . 4.050 2.903 2.510 3.331 . 0 0 "[ . 1 . 2]" 1
971 1 47 TYR HB3 1 93 ILE MG . . 4.290 3.566 2.878 4.339 0.049 14 0 "[ . 1 . 2]" 1
972 1 93 ILE MG 1 94 ASP HA . . 3.980 3.717 3.480 4.019 0.039 20 0 "[ . 1 . 2]" 1
973 1 93 ILE MG 1 94 ASP H . . 3.940 2.352 1.982 2.785 . 0 0 "[ . 1 . 2]" 1
974 1 93 ILE MG 1 94 ASP HB3 . . 4.250 4.091 3.642 4.279 0.029 13 0 "[ . 1 . 2]" 1
975 1 96 ARG HB3 1 96 ARG HD3 . . 4.270 3.449 2.322 4.002 . 0 0 "[ . 1 . 2]" 1
976 1 96 ARG HB2 1 98 VAL MG1 . . 4.340 3.925 2.771 4.415 0.075 17 0 "[ . 1 . 2]" 1
977 1 96 ARG HB2 1 96 ARG HD3 . . 4.080 3.185 2.426 3.625 . 0 0 "[ . 1 . 2]" 1
978 1 96 ARG H 1 96 ARG HB2 . . 4.180 3.388 2.081 3.851 . 0 0 "[ . 1 . 2]" 1
979 1 96 ARG QG 1 97 VAL H . . 4.210 3.717 3.425 4.324 0.114 20 0 "[ . 1 . 2]" 1
980 1 36 SER H 1 96 ARG QG . . 4.460 4.384 3.865 4.530 0.070 18 0 "[ . 1 . 2]" 1
981 1 36 SER HB2 1 96 ARG QG . . 3.860 2.468 1.971 3.149 . 0 0 "[ . 1 . 2]" 1
982 1 96 ARG HD3 1 98 VAL MG1 . . 4.490 2.949 2.048 4.517 0.027 20 0 "[ . 1 . 2]" 1
983 1 36 SER HA 1 96 ARG HD2 . . 4.180 3.397 2.517 4.197 0.017 17 0 "[ . 1 . 2]" 1
984 1 36 SER HB2 1 96 ARG HD2 . . 3.980 2.706 1.976 3.880 . 0 0 "[ . 1 . 2]" 1
985 1 96 ARG HD3 1 97 VAL H . . 4.580 3.763 1.936 5.386 0.806 10 3 "[ - . *+ . 2]" 1
986 1 36 SER H 1 96 ARG HD2 . . 4.780 3.577 2.489 4.837 0.057 19 0 "[ . 1 . 2]" 1
987 1 97 VAL HA 1 98 VAL MG1 . . 4.330 3.576 3.344 3.890 . 0 0 "[ . 1 . 2]" 1
988 1 36 SER H 1 98 VAL MG1 . . 4.640 4.421 4.201 4.642 0.002 1 0 "[ . 1 . 2]" 1
989 1 93 ILE QG 1 98 VAL MG2 . . 4.600 2.361 1.851 2.785 . 0 0 "[ . 1 . 2]" 1
990 1 93 ILE MD 1 98 VAL MG2 . . 3.270 2.437 1.943 3.306 0.036 17 0 "[ . 1 . 2]" 1
991 1 48 TYR QE 1 98 VAL MG2 . . 4.350 3.368 2.959 3.616 . 0 0 "[ . 1 . 2]" 1
992 1 92 SER HA 1 98 VAL MG2 . . 4.190 3.680 3.389 3.912 . 0 0 "[ . 1 . 2]" 1
993 1 91 HIS H 1 98 VAL MG2 . . 4.940 3.510 3.291 3.736 . 0 0 "[ . 1 . 2]" 1
994 1 48 TYR HH 1 98 VAL MG2 . . 4.220 2.593 2.169 3.431 . 0 0 "[ . 1 . 2]" 1
995 1 99 GLU HA 1 99 GLU QG . . 3.600 3.214 2.161 3.479 . 0 0 "[ . 1 . 2]" 1
996 1 99 GLU HB3 1 100 PRO HD2 . . 4.040 4.018 3.837 4.114 0.074 20 0 "[ . 1 . 2]" 1
997 1 98 VAL MG2 1 99 GLU QG . . 5.010 4.248 3.976 4.632 . 0 0 "[ . 1 . 2]" 1
998 1 99 GLU QG 1 101 LYS QG . . 5.010 4.060 3.514 4.878 . 0 0 "[ . 1 . 2]" 1
999 1 99 GLU QG 1 101 LYS QE . . 4.700 3.566 2.200 4.481 . 0 0 "[ . 1 . 2]" 1
1000 1 98 VAL HA 1 99 GLU QG . . 4.740 3.491 2.880 4.815 0.075 18 0 "[ . 1 . 2]" 1
1001 1 32 ILE MG 1 100 PRO HA . . 3.880 3.122 2.779 3.427 . 0 0 "[ . 1 . 2]" 1
1002 1 33 GLY H 1 100 PRO HA . . 4.220 2.788 2.716 2.860 . 0 0 "[ . 1 . 2]" 1
1003 1 100 PRO HB3 1 101 LYS H . . 4.690 3.555 3.463 3.779 . 0 0 "[ . 1 . 2]" 1
1004 1 100 PRO HB2 1 101 LYS H . . 4.380 3.003 2.838 3.373 . 0 0 "[ . 1 . 2]" 1
1005 1 86 MET ME 1 101 LYS HA . . 4.450 3.678 3.103 4.071 . 0 0 "[ . 1 . 2]" 1
1006 1 31 PHE HB3 1 101 LYS HB3 . . 3.950 3.568 3.414 3.737 . 0 0 "[ . 1 . 2]" 1
1007 1 31 PHE QD 1 101 LYS HB3 . . 4.350 4.102 3.348 4.368 0.018 2 0 "[ . 1 . 2]" 1
1008 1 31 PHE QD 1 101 LYS HB2 . . 4.170 2.678 1.996 3.092 . 0 0 "[ . 1 . 2]" 1
1009 1 101 LYS HB2 1 102 ARG H . . 4.400 3.489 3.013 4.015 . 0 0 "[ . 1 . 2]" 1
1010 1 101 LYS HB3 1 102 ARG H . . 4.210 2.694 2.355 3.164 . 0 0 "[ . 1 . 2]" 1
1011 1 31 PHE H 1 101 LYS HB3 . . 5.080 4.618 4.332 4.922 . 0 0 "[ . 1 . 2]" 1
1012 1 101 LYS H 1 101 LYS HB3 . . 4.120 3.904 3.871 3.935 . 0 0 "[ . 1 . 2]" 1
1013 1 100 PRO HA 1 101 LYS HB2 . . 4.950 4.716 4.592 4.856 . 0 0 "[ . 1 . 2]" 1
1014 1 102 ARG HA 1 103 ALA MB . . 4.110 3.847 3.742 3.930 . 0 0 "[ . 1 . 2]" 1
1015 1 30 LEU HA 1 102 ARG HA . . 4.030 3.105 2.325 3.825 . 0 0 "[ . 1 . 2]" 1
1016 1 102 ARG HA 1 103 ALA H . . 3.530 3.058 2.225 3.604 0.074 5 0 "[ . 1 . 2]" 1
1017 1 31 PHE HB3 1 103 ALA HA . . 4.350 3.210 2.032 4.091 . 0 0 "[ . 1 . 2]" 1
1018 1 31 PHE QD 1 103 ALA HA . . 4.210 4.060 3.654 4.236 0.026 2 0 "[ . 1 . 2]" 1
1019 1 103 ALA HA 1 104 VAL H . . 3.620 2.960 2.578 3.640 0.020 18 0 "[ . 1 . 2]" 1
1020 1 30 LEU HA 1 103 ALA MB . . 4.470 2.232 1.938 2.839 . 0 0 "[ . 1 . 2]" 1
1021 1 104 VAL HA 1 105 ALA MB . . 4.460 4.147 3.997 4.422 . 0 0 "[ . 1 . 2]" 1
1022 1 104 VAL HB 1 105 ALA H . . 4.000 2.875 1.888 3.984 . 0 0 "[ . 1 . 2]" 1
1023 1 104 VAL QG 1 105 ALA MB . . 4.550 3.187 2.385 4.052 . 0 0 "[ . 1 . 2]" 1
1024 1 15 VAL MG1 1 16 PRO HD2 . . 4.170 3.605 3.248 4.324 0.154 17 0 "[ . 1 . 2]" 1
1025 1 98 VAL MG2 1 100 PRO HD3 . . 3.710 2.744 2.659 2.848 . 0 0 "[ . 1 . 2]" 1
1026 1 61 ARG HG2 1 68 SER HA . . 4.040 2.054 1.989 2.331 . 0 0 "[ . 1 . 2]" 1
1027 1 61 ARG HA 1 61 ARG HG2 . . 4.230 2.699 2.406 3.061 . 0 0 "[ . 1 . 2]" 1
1028 1 89 ARG HG2 1 90 PRO HA . . 4.250 2.451 2.105 3.025 . 0 0 "[ . 1 . 2]" 1
1029 1 30 LEU HA 1 30 LEU HG . . 4.180 2.576 2.307 3.798 . 0 0 "[ . 1 . 2]" 1
1030 1 30 LEU H 1 30 LEU HG . . 4.300 4.422 3.998 4.569 0.269 18 0 "[ . 1 . 2]" 1
1031 1 30 LEU HG 1 74 VAL MG2 . . 4.560 4.562 4.025 4.621 0.061 7 0 "[ . 1 . 2]" 1
1032 1 39 THR MG 1 44 LEU HG . . 4.280 4.075 3.729 4.301 0.021 12 0 "[ . 1 . 2]" 1
1033 1 48 TYR HA 1 48 TYR QD . . 4.080 2.974 2.767 3.147 . 0 0 "[ . 1 . 2]" 1
1034 1 48 TYR QD 1 51 TRP HE3 . . 3.660 2.720 2.131 3.669 0.009 17 0 "[ . 1 . 2]" 1
1035 1 48 TYR QD 1 76 PHE HZ . . 3.540 2.211 1.996 2.643 . 0 0 "[ . 1 . 2]" 1
1036 1 48 TYR QE 1 93 ILE MD . . 3.130 2.356 1.879 3.132 0.002 17 0 "[ . 1 . 2]" 1
1037 1 48 TYR QE 1 48 TYR HH . . 3.310 2.241 2.137 2.554 . 0 0 "[ . 1 . 2]" 1
1038 1 47 TYR QE 1 91 HIS HB3 . . 4.050 2.730 1.995 3.237 . 0 0 "[ . 1 . 2]" 1
1039 1 47 TYR QE 1 91 HIS HB2 . . 4.390 4.144 3.476 4.397 0.007 13 0 "[ . 1 . 2]" 1
1040 1 54 LEU MD2 1 76 PHE QD . . 4.290 2.821 2.646 2.991 . 0 0 "[ . 1 . 2]" 1
1041 1 30 LEU MD2 1 76 PHE QD . . 4.320 3.321 2.283 4.210 . 0 0 "[ . 1 . 2]" 1
1042 1 76 PHE QD 1 82 VAL MG1 . . 3.690 3.638 2.833 3.723 0.033 20 0 "[ . 1 . 2]" 1
1043 1 76 PHE QE 1 82 VAL HA . . 4.170 2.814 2.641 3.063 . 0 0 "[ . 1 . 2]" 1
1044 1 58 VAL HB 1 73 PHE QD . . 4.170 2.321 2.069 2.472 . 0 0 "[ . 1 . 2]" 1
1045 1 73 PHE QD 1 74 VAL H . . 4.670 4.465 4.366 4.613 . 0 0 "[ . 1 . 2]" 1
1046 1 69 ARG HB2 1 71 PHE QD . . 4.520 3.510 2.507 4.058 . 0 0 "[ . 1 . 2]" 1
1047 1 71 PHE QD 1 72 GLY H . . 4.370 2.818 2.635 3.176 . 0 0 "[ . 1 . 2]" 1
1048 1 69 ARG HB2 1 71 PHE QE . . 3.710 3.608 2.766 4.088 0.378 15 0 "[ . 1 . 2]" 1
1049 1 27 PHE QD 1 104 VAL QG . . 4.570 3.641 2.449 4.537 . 0 0 "[ . 1 . 2]" 1
1050 1 27 PHE HA 1 27 PHE QD . . 4.260 2.235 1.992 3.094 . 0 0 "[ . 1 . 2]" 1
1051 1 24 LYS HB2 1 25 GLU H . . 4.130 3.604 3.209 4.038 . 0 0 "[ . 1 . 2]" 1
1052 1 102 ARG H 1 102 ARG HG3 . . 4.110 3.606 2.937 4.106 . 0 0 "[ . 1 . 2]" 1
1053 1 102 ARG H 1 102 ARG HG2 . . 4.510 4.208 2.372 4.574 0.064 20 0 "[ . 1 . 2]" 1
1054 1 102 ARG HA 1 102 ARG HG3 . . 4.030 2.505 2.105 3.784 . 0 0 "[ . 1 . 2]" 1
1055 1 30 LEU MD1 1 102 ARG HG2 . . 4.290 3.532 2.503 4.815 0.525 18 2 "[- . 1 . + 2]" 1
1056 1 30 LEU MD1 1 102 ARG HG3 . . 4.780 3.775 2.611 4.787 0.007 10 0 "[ . 1 . 2]" 1
1057 1 24 LYS QD 1 27 PHE QD . . 4.360 3.960 2.389 4.373 0.013 11 0 "[ . 1 . 2]" 1
1058 1 26 GLN HA 1 29 LYS QE . . 4.360 4.150 3.546 4.397 0.037 15 0 "[ . 1 . 2]" 1
1059 1 26 GLN QG 1 27 PHE H . . 4.520 2.488 1.935 3.400 . 0 0 "[ . 1 . 2]" 1
1060 1 27 PHE HB2 1 28 ARG H . . 4.730 2.680 2.362 2.943 . 0 0 "[ . 1 . 2]" 1
1061 1 29 LYS QB 1 75 THR HA . . 4.670 3.923 3.731 4.269 . 0 0 "[ . 1 . 2]" 1
1062 1 29 LYS HG2 1 73 PHE HB3 . . 5.280 2.677 2.270 3.433 . 0 0 "[ . 1 . 2]" 1
1063 1 29 LYS HG2 1 73 PHE QD . . 4.320 3.366 3.097 3.654 . 0 0 "[ . 1 . 2]" 1
1064 1 29 LYS HG2 1 30 LEU H . . 4.250 3.114 2.627 4.245 . 0 0 "[ . 1 . 2]" 1
1065 1 29 LYS HG3 1 73 PHE QD . . 4.020 3.873 3.256 4.333 0.313 13 0 "[ . 1 . 2]" 1
1066 1 31 PHE QD 1 101 LYS QG . . 4.490 2.658 1.993 3.223 . 0 0 "[ . 1 . 2]" 1
1067 1 32 ILE HA 1 100 PRO HB3 . . 4.870 3.566 3.299 3.901 . 0 0 "[ . 1 . 2]" 1
1068 1 32 ILE H 1 32 ILE HG13 . . 4.160 3.477 3.458 3.503 . 0 0 "[ . 1 . 2]" 1
1069 1 32 ILE MG 1 48 TYR QE . . 3.960 2.565 1.947 3.093 . 0 0 "[ . 1 . 2]" 1
1070 1 35 LEU QD 1 71 PHE H . . 4.700 3.427 2.906 3.997 . 0 0 "[ . 1 . 2]" 1
1071 1 37 PHE QD 1 68 SER HB2 . . 4.840 3.890 2.658 5.581 0.741 3 2 "[ + . -1 . 2]" 1
1072 1 35 LEU HB2 1 39 THR HB . . 4.240 3.577 3.194 4.019 . 0 0 "[ . 1 . 2]" 1
1073 1 39 THR MG 1 44 LEU HB3 . . 3.770 3.294 2.969 3.540 . 0 0 "[ . 1 . 2]" 1
1074 1 39 THR H 1 39 THR MG . . 4.770 3.641 3.590 3.691 . 0 0 "[ . 1 . 2]" 1
1075 1 44 LEU QD 1 48 TYR HB2 . . 4.580 3.623 3.276 3.938 . 0 0 "[ . 1 . 2]" 1
1076 1 45 ARG QG 1 57 CYS QB . . 4.070 2.291 1.911 2.600 . 0 0 "[ . 1 . 2]" 1
1077 1 47 TYR H 1 48 TYR HB2 . . 4.410 4.159 4.067 4.316 . 0 0 "[ . 1 . 2]" 1
1078 1 48 TYR QD 1 76 PHE QE . . 4.540 3.091 2.710 3.356 . 0 0 "[ . 1 . 2]" 1
1079 1 48 TYR QE 1 51 TRP HZ3 . . 5.360 3.546 3.053 4.163 . 0 0 "[ . 1 . 2]" 1
1080 1 49 GLU HG2 1 53 LYS HG3 . . 3.880 3.509 3.269 3.885 0.005 7 0 "[ . 1 . 2]" 1
1081 1 51 TRP HD1 1 85 ALA MB . . 4.830 4.657 4.132 4.839 0.009 17 0 "[ . 1 . 2]" 1
1082 1 51 TRP HD1 1 88 ALA MB . . 4.120 3.856 3.392 4.139 0.019 20 0 "[ . 1 . 2]" 1
1083 1 51 TRP HD1 1 85 ALA HA . . 4.980 4.377 3.916 4.690 . 0 0 "[ . 1 . 2]" 1
1084 1 51 TRP HD1 1 85 ALA H . . 4.750 4.472 3.574 4.755 0.005 15 0 "[ . 1 . 2]" 1
1085 1 51 TRP HE3 1 76 PHE QE . . 4.650 3.806 3.407 4.087 . 0 0 "[ . 1 . 2]" 1
1086 1 51 TRP HE3 1 76 PHE HZ . . 2.970 2.893 2.629 2.984 0.014 18 0 "[ . 1 . 2]" 1
1087 1 47 TYR QD 1 51 TRP HZ3 . . 4.170 2.609 2.350 2.930 . 0 0 "[ . 1 . 2]" 1
1088 1 50 GLN HE22 1 51 TRP HH2 . . 4.980 4.476 3.568 4.988 0.008 17 0 "[ . 1 . 2]" 1
1089 1 50 GLN HE21 1 51 TRP HH2 . . 4.660 4.167 3.523 4.985 0.325 13 0 "[ . 1 . 2]" 1
1090 1 53 LYS QB 1 77 SER H . . 4.960 4.499 4.209 4.831 . 0 0 "[ . 1 . 2]" 1
1091 1 53 LYS HA 1 53 LYS QD . . 4.010 3.980 3.877 4.022 0.012 13 0 "[ . 1 . 2]" 1
1092 1 59 VAL HA 1 60 MET ME . . 4.910 3.779 3.474 4.079 . 0 0 "[ . 1 . 2]" 1
1093 1 60 MET ME 1 72 GLY HA2 . . 4.380 3.836 3.427 4.073 . 0 0 "[ . 1 . 2]" 1
1094 1 60 MET ME 1 61 ARG H . . 3.990 3.717 3.597 3.821 . 0 0 "[ . 1 . 2]" 1
1095 1 30 LEU MD1 1 86 MET ME . . 3.440 3.410 3.157 3.479 0.039 20 0 "[ . 1 . 2]" 1
1096 1 86 MET ME 1 102 ARG HG3 . . 3.610 2.280 1.855 4.315 0.705 18 1 "[ . 1 . + 2]" 1
1097 1 86 MET ME 1 86 MET HG3 . . 3.160 3.116 2.370 3.375 0.215 2 0 "[ . 1 . 2]" 1
1098 1 86 MET ME 1 86 MET HG2 . . 3.650 2.644 2.281 3.369 . 0 0 "[ . 1 . 2]" 1
1099 1 86 MET ME 1 102 ARG QD . . 3.510 3.057 2.250 3.438 . 0 0 "[ . 1 . 2]" 1
1100 1 86 MET H 1 86 MET ME . . 4.970 4.171 3.885 4.605 . 0 0 "[ . 1 . 2]" 1
1101 1 86 MET ME 1 102 ARG H . . 3.960 3.540 2.221 3.976 0.016 13 0 "[ . 1 . 2]" 1
1102 1 86 MET ME 1 101 LYS H . . 5.120 4.589 3.741 5.116 . 0 0 "[ . 1 . 2]" 1
1103 1 86 MET ME 1 87 ALA H . . 5.060 5.029 4.803 5.089 0.029 13 0 "[ . 1 . 2]" 1
1104 1 79 MET ME 1 79 MET HG2 . . 3.690 2.838 2.245 3.316 . 0 0 "[ . 1 . 2]" 1
1105 1 79 MET ME 1 79 MET HG3 . . 3.690 2.262 1.975 3.327 . 0 0 "[ . 1 . 2]" 1
1106 1 27 PHE HB3 1 79 MET ME . . 3.850 2.261 1.887 2.636 . 0 0 "[ . 1 . 2]" 1
1107 1 27 PHE HB2 1 79 MET ME . . 3.830 3.734 3.286 3.862 0.032 8 0 "[ . 1 . 2]" 1
1108 1 79 MET HA 1 79 MET ME . . 4.250 3.301 2.306 3.970 . 0 0 "[ . 1 . 2]" 1
1109 1 27 PHE QD 1 79 MET ME . . 4.110 3.290 2.447 4.139 0.029 14 0 "[ . 1 . 2]" 1
1110 1 63 PRO HB3 1 64 ALA H . . 4.170 4.447 4.270 4.538 0.368 2 0 "[ . 1 . 2]" 1
1111 1 63 PRO HD3 1 64 ALA H . . 4.500 3.692 3.655 3.744 . 0 0 "[ . 1 . 2]" 1
1112 1 63 PRO HD2 1 64 ALA H . . 4.100 2.392 2.255 2.527 . 0 0 "[ . 1 . 2]" 1
1113 1 33 GLY HA2 1 71 PHE HB3 . . 4.050 2.843 2.685 3.006 . 0 0 "[ . 1 . 2]" 1
1114 1 33 GLY HA3 1 71 PHE HB2 . . 4.350 3.630 3.370 3.915 . 0 0 "[ . 1 . 2]" 1
1115 1 69 ARG HG3 1 71 PHE QD . . 5.100 4.717 4.289 5.123 0.023 15 0 "[ . 1 . 2]" 1
1116 1 69 ARG HB3 1 71 PHE QD . . 4.890 2.359 2.164 2.621 . 0 0 "[ . 1 . 2]" 1
1117 1 71 PHE QD 1 72 GLY HA2 . . 4.380 2.808 2.633 3.387 . 0 0 "[ . 1 . 2]" 1
1118 1 69 ARG HG3 1 71 PHE QE . . 4.650 3.699 3.082 4.355 . 0 0 "[ . 1 . 2]" 1
1119 1 69 ARG QD 1 71 PHE QE . . 4.990 1.975 1.841 2.058 . 0 0 "[ . 1 . 2]" 1
1120 1 29 LYS QD 1 73 PHE HB2 . . 4.910 4.321 2.941 4.935 0.025 5 0 "[ . 1 . 2]" 1
1121 1 29 LYS HG2 1 73 PHE HB2 . . 4.920 4.215 3.769 4.822 . 0 0 "[ . 1 . 2]" 1
1122 1 74 VAL MG2 1 76 PHE QD . . 4.820 3.610 3.323 3.921 . 0 0 "[ . 1 . 2]" 1
1123 1 52 GLY HA2 1 76 PHE QE . . 4.780 3.955 3.643 4.419 . 0 0 "[ . 1 . 2]" 1
1124 1 79 MET HG2 1 82 VAL MG1 . . 4.800 3.993 3.746 4.844 0.044 14 0 "[ . 1 . 2]" 1
1125 1 79 MET HG3 1 82 VAL MG1 . . 4.900 2.679 2.413 3.496 . 0 0 "[ . 1 . 2]" 1
1126 1 79 MET ME 1 82 VAL MG1 . . 5.500 2.869 2.254 4.318 . 0 0 "[ . 1 . 2]" 1
1127 1 85 ALA MB 1 86 MET HG2 . . 4.440 3.460 3.309 3.862 . 0 0 "[ . 1 . 2]" 1
1128 1 85 ALA MB 1 88 ALA MB . . 4.790 3.494 3.292 3.670 . 0 0 "[ . 1 . 2]" 1
1129 1 55 THR MG 1 77 SER HA . . 3.380 2.036 1.868 2.304 . 0 0 "[ . 1 . 2]" 1
1130 1 89 ARG HB3 1 90 PRO HB2 . . 4.320 4.564 4.520 4.686 0.366 8 0 "[ . 1 . 2]" 1
1131 1 90 PRO QG 1 91 HIS H . . 4.740 4.109 3.904 4.598 . 0 0 "[ . 1 . 2]" 1
1132 1 89 ARG HG2 1 91 HIS HD2 . . 4.740 4.178 3.222 4.745 0.005 6 0 "[ . 1 . 2]" 1
1133 1 90 PRO HA 1 91 HIS HD2 . . 5.030 4.548 3.981 4.947 . 0 0 "[ . 1 . 2]" 1
1134 1 91 HIS HA 1 91 HIS HD2 . . 3.520 2.183 2.055 2.576 . 0 0 "[ . 1 . 2]" 1
1135 1 47 TYR QE 1 91 HIS HD2 . . 4.380 3.515 2.952 4.281 . 0 0 "[ . 1 . 2]" 1
1136 1 91 HIS H 1 91 HIS HD2 . . 5.020 4.222 3.880 4.630 . 0 0 "[ . 1 . 2]" 1
1137 1 91 HIS HE1 1 100 PRO HG3 . . 4.240 3.187 2.527 3.647 . 0 0 "[ . 1 . 2]" 1
1138 1 93 ILE HA 1 94 ASP HA . . 4.510 4.347 4.291 4.395 . 0 0 "[ . 1 . 2]" 1
1139 1 89 ARG HG2 1 100 PRO HG2 . . 4.180 3.482 3.121 3.953 . 0 0 "[ . 1 . 2]" 1
1140 1 89 ARG QD 1 100 PRO HG2 . . 4.110 3.452 2.226 3.980 . 0 0 "[ . 1 . 2]" 1
1141 1 91 HIS HE1 1 100 PRO HG2 . . 4.970 4.239 2.892 4.623 . 0 0 "[ . 1 . 2]" 1
1142 1 32 ILE MD 1 100 PRO HG3 . . 4.940 4.041 3.489 4.383 . 0 0 "[ . 1 . 2]" 1
1143 1 89 ARG QD 1 100 PRO HG3 . . 4.540 4.115 3.537 4.580 0.040 11 0 "[ . 1 . 2]" 1
1144 1 99 GLU HA 1 100 PRO HG3 . . 4.620 4.266 4.242 4.275 . 0 0 "[ . 1 . 2]" 1
1145 1 31 PHE H 1 103 ALA MB . . 5.500 2.521 1.922 3.644 . 0 0 "[ . 1 . 2]" 1
1146 1 30 LEU H 1 103 ALA MB . . 5.170 3.847 3.376 4.147 . 0 0 "[ . 1 . 2]" 1
1147 1 92 SER HA 1 97 VAL MG1 . . 4.550 4.167 3.818 4.569 0.019 13 0 "[ . 1 . 2]" 1
1148 1 91 HIS H 1 97 VAL MG1 . . 4.470 3.490 2.900 4.092 . 0 0 "[ . 1 . 2]" 1
1149 1 59 VAL QG 1 61 ARG HG3 . . 4.030 3.079 2.628 3.383 . 0 0 "[ . 1 . 2]" 1
1150 1 61 ARG HA 1 61 ARG HG3 . . 4.180 3.054 2.589 3.395 . 0 0 "[ . 1 . 2]" 1
1151 1 61 ARG H 1 61 ARG HG3 . . 4.450 2.834 2.479 3.176 . 0 0 "[ . 1 . 2]" 1
1152 1 32 ILE H 1 32 ILE MG . . 4.130 3.745 3.724 3.765 . 0 0 "[ . 1 . 2]" 1
1153 1 58 VAL MG1 1 59 VAL HA . . 3.680 3.484 3.438 3.580 . 0 0 "[ . 1 . 2]" 1
1154 1 28 ARG QB 1 75 THR HA . . 4.190 3.700 3.264 3.871 . 0 0 "[ . 1 . 2]" 1
1155 1 31 PHE HA 1 73 PHE HA . . 3.690 2.404 2.208 2.692 . 0 0 "[ . 1 . 2]" 1
1156 1 33 GLY HA3 1 71 PHE HA . . 4.770 4.651 4.475 4.805 0.035 11 0 "[ . 1 . 2]" 1
1157 1 33 GLY HA2 1 71 PHE QD . . 5.170 4.350 4.212 4.655 . 0 0 "[ . 1 . 2]" 1
1158 1 31 PHE H 1 102 ARG HA . . 5.450 3.590 2.483 4.292 . 0 0 "[ . 1 . 2]" 1
1159 1 35 LEU HG 1 71 PHE HA . . 4.190 2.467 1.981 4.286 0.096 11 0 "[ . 1 . 2]" 1
1160 1 76 PHE HZ 1 85 ALA MB . . 4.330 2.216 1.930 2.736 . 0 0 "[ . 1 . 2]" 1
1161 1 89 ARG HG3 1 90 PRO HA . . 4.060 3.731 3.488 4.109 0.049 13 0 "[ . 1 . 2]" 1
1162 1 88 ALA H 1 89 ARG HG3 . . 4.750 3.850 3.355 4.750 . 0 0 "[ . 1 . 2]" 1
1163 1 89 ARG HA 1 90 PRO HB2 . . 5.420 4.494 4.436 4.514 . 0 0 "[ . 1 . 2]" 1
1164 1 89 ARG HA 1 90 PRO HB3 . . 4.610 4.505 4.430 4.528 . 0 0 "[ . 1 . 2]" 1
1165 1 89 ARG HB3 1 90 PRO HA . . 3.830 2.032 1.984 2.174 . 0 0 "[ . 1 . 2]" 1
1166 1 60 MET HG3 1 73 PHE QE . . 4.810 3.118 2.839 3.570 . 0 0 "[ . 1 . 2]" 1
1167 1 61 ARG HB2 1 61 ARG HD2 . . 3.970 2.930 2.231 3.710 . 0 0 "[ . 1 . 2]" 1
1168 1 86 MET HA 1 88 ALA H . . 4.230 3.955 3.752 4.116 . 0 0 "[ . 1 . 2]" 1
1169 1 68 SER HB3 1 70 GLY H . . 5.080 3.311 2.578 4.762 . 0 0 "[ . 1 . 2]" 1
1170 1 15 VAL MG2 1 16 PRO HD2 . . 4.740 3.511 1.781 4.553 . 0 0 "[ . 1 . 2]" 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 24
_Distance_constraint_stats_list.Viol_count 364
_Distance_constraint_stats_list.Viol_total 1206.033
_Distance_constraint_stats_list.Viol_max 0.376
_Distance_constraint_stats_list.Viol_rms 0.1029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1256
_Distance_constraint_stats_list.Viol_average_violations_only 0.1657
_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 31 PHE 7.124 0.263 2 0 "[ . 1 . 2]"
1 32 ILE 5.098 0.218 12 0 "[ . 1 . 2]"
1 33 GLY 13.183 0.286 10 0 "[ . 1 . 2]"
1 56 ASP 2.531 0.287 9 0 "[ . 1 . 2]"
1 58 VAL 10.015 0.309 8 0 "[ . 1 . 2]"
1 60 MET 9.224 0.304 15 0 "[ . 1 . 2]"
1 71 PHE 9.224 0.304 15 0 "[ . 1 . 2]"
1 72 GLY 5.098 0.218 12 0 "[ . 1 . 2]"
1 73 PHE 10.015 0.309 8 0 "[ . 1 . 2]"
1 75 THR 2.531 0.287 9 0 "[ . 1 . 2]"
1 91 HIS 5.052 0.376 13 0 "[ . 1 . 2]"
1 93 ILE 8.075 0.258 8 0 "[ . 1 . 2]"
1 96 ARG 8.075 0.258 8 0 "[ . 1 . 2]"
1 98 VAL 5.052 0.376 13 0 "[ . 1 . 2]"
1 99 GLU 13.183 0.286 10 0 "[ . 1 . 2]"
1 101 LYS 7.124 0.263 2 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 56 ASP O 1 75 THR H . . 1.800 1.830 1.763 2.012 0.212 9 0 "[ . 1 . 2]" 2
2 1 56 ASP O 1 75 THR N . . 2.700 2.785 2.673 2.987 0.287 9 0 "[ . 1 . 2]" 2
3 1 58 VAL O 1 73 PHE H . . 1.800 1.781 1.760 1.813 0.013 7 0 "[ . 1 . 2]" 2
4 1 58 VAL O 1 73 PHE N . . 2.700 2.685 2.656 2.718 0.018 6 0 "[ . 1 . 2]" 2
5 1 58 VAL H 1 73 PHE O . . 1.800 2.030 2.008 2.058 0.258 19 0 "[ . 1 . 2]" 2
6 1 58 VAL N 1 73 PHE O . . 2.700 2.969 2.909 3.009 0.309 8 0 "[ . 1 . 2]" 2
7 1 60 MET H 1 71 PHE O . . 1.800 2.064 2.039 2.104 0.304 15 0 "[ . 1 . 2]" 2
8 1 60 MET N 1 71 PHE O . . 2.700 2.898 2.825 2.992 0.292 15 0 "[ . 1 . 2]" 2
9 1 32 ILE H 1 72 GLY O . . 1.800 1.991 1.884 2.018 0.218 12 0 "[ . 1 . 2]" 2
10 1 32 ILE N 1 72 GLY O . . 2.700 2.764 2.707 2.819 0.119 10 0 "[ . 1 . 2]" 2
11 1 33 GLY O 1 99 GLU H . . 1.800 1.909 1.757 2.016 0.216 5 0 "[ . 1 . 2]" 2
12 1 33 GLY O 1 99 GLU N . . 2.700 2.775 2.654 2.919 0.219 4 0 "[ . 1 . 2]" 2
13 1 31 PHE O 1 101 LYS H . . 1.800 2.031 1.997 2.063 0.263 2 0 "[ . 1 . 2]" 2
14 1 31 PHE O 1 101 LYS N . . 2.700 2.657 2.625 2.712 0.012 17 0 "[ . 1 . 2]" 2
15 1 31 PHE H 1 101 LYS O . . 1.800 1.889 1.765 2.016 0.216 7 0 "[ . 1 . 2]" 2
16 1 31 PHE N 1 101 LYS O . . 2.700 2.714 2.598 2.930 0.230 5 0 "[ . 1 . 2]" 2
17 1 33 GLY H 1 99 GLU O . . 1.800 2.046 2.001 2.086 0.286 10 0 "[ . 1 . 2]" 2
18 1 33 GLY N 1 99 GLU O . . 2.700 2.918 2.803 2.973 0.273 10 0 "[ . 1 . 2]" 2
19 1 91 HIS O 1 98 VAL H . . 1.800 1.986 1.790 2.176 0.376 13 0 "[ . 1 . 2]" 2
20 1 91 HIS O 1 98 VAL N . . 2.700 2.765 2.677 2.917 0.217 10 0 "[ . 1 . 2]" 2
21 1 93 ILE O 1 96 ARG H . . 1.800 1.851 1.771 2.024 0.224 8 0 "[ . 1 . 2]" 2
22 1 93 ILE O 1 96 ARG N . . 2.700 2.783 2.666 2.958 0.258 8 0 "[ . 1 . 2]" 2
23 1 93 ILE H 1 96 ARG O . . 1.800 1.967 1.862 2.028 0.228 6 0 "[ . 1 . 2]" 2
24 1 93 ILE N 1 96 ARG O . . 2.700 2.793 2.699 2.883 0.183 11 0 "[ . 1 . 2]" 2
stop_
save_
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