NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
422388 |
2epd   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2epd
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 975
_Distance_constraint_stats_list.Viol_count 323
_Distance_constraint_stats_list.Viol_total 440.089
_Distance_constraint_stats_list.Viol_max 0.625
_Distance_constraint_stats_list.Viol_rms 0.0231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0681
_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 9 GLY 0.000 0.000 18 0 "[ . 1 . 2]"
1 10 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.012 0.006 13 0 "[ . 1 . 2]"
1 15 ALA 0.002 0.001 17 0 "[ . 1 . 2]"
1 16 CYS 0.006 0.003 9 0 "[ . 1 . 2]"
1 17 PHE 0.004 0.004 13 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.036 0.007 14 0 "[ . 1 . 2]"
1 20 THR 0.054 0.010 11 0 "[ . 1 . 2]"
1 21 GLY 0.026 0.010 11 0 "[ . 1 . 2]"
1 22 ARG 0.087 0.042 18 0 "[ . 1 . 2]"
1 23 THR 0.001 0.001 20 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 0.099 0.051 13 0 "[ . 1 . 2]"
1 26 GLU 0.009 0.004 13 0 "[ . 1 . 2]"
1 27 LEU 0.050 0.011 13 0 "[ . 1 . 2]"
1 28 SER 0.035 0.011 13 0 "[ . 1 . 2]"
1 29 PHE 0.011 0.004 13 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.002 0.001 19 0 "[ . 1 . 2]"
1 32 GLY 0.008 0.006 13 0 "[ . 1 . 2]"
1 33 ASP 0.013 0.003 18 0 "[ . 1 . 2]"
1 34 VAL 0.493 0.044 14 0 "[ . 1 . 2]"
1 35 LEU 0.499 0.044 14 0 "[ . 1 . 2]"
1 36 ARG 0.041 0.040 13 0 "[ . 1 . 2]"
1 37 LEU 0.013 0.005 13 0 "[ . 1 . 2]"
1 38 HIS 0.015 0.003 20 0 "[ . 1 . 2]"
1 39 GLU 0.002 0.002 20 0 "[ . 1 . 2]"
1 40 ARG 0.025 0.015 8 0 "[ . 1 . 2]"
1 41 ALA 0.010 0.005 20 0 "[ . 1 . 2]"
1 42 SER 0.006 0.005 12 0 "[ . 1 . 2]"
1 44 ASP 0.071 0.020 11 0 "[ . 1 . 2]"
1 45 TRP 0.087 0.020 11 0 "[ . 1 . 2]"
1 46 TRP 0.108 0.011 20 0 "[ . 1 . 2]"
1 47 ARG 0.067 0.039 20 0 "[ . 1 . 2]"
1 48 GLY 0.007 0.003 12 0 "[ . 1 . 2]"
1 49 GLU 0.200 0.024 14 0 "[ . 1 . 2]"
1 50 HIS 9.994 0.510 11 15 "[-***** ***+* *. ** *]"
1 51 ASN 9.976 0.510 11 15 "[-***** ***+* *. ** *]"
1 52 GLY 10.206 0.625 5 12 "[* + -* **** ** **]"
1 53 MET 10.321 0.625 5 12 "[* + -* **** ** **]"
1 54 ARG 0.127 0.043 15 0 "[ . 1 . 2]"
1 55 GLY 0.012 0.005 16 0 "[ . 1 . 2]"
1 56 LEU 0.032 0.012 13 0 "[ . 1 . 2]"
1 57 ILE 0.034 0.009 14 0 "[ . 1 . 2]"
1 58 PRO 0.046 0.011 20 0 "[ . 1 . 2]"
1 59 HIS 0.026 0.009 20 0 "[ . 1 . 2]"
1 60 LYS 0.209 0.094 17 0 "[ . 1 . 2]"
1 61 TYR 0.087 0.019 20 0 "[ . 1 . 2]"
1 62 ILE 0.082 0.021 11 0 "[ . 1 . 2]"
1 63 THR 0.057 0.021 11 0 "[ . 1 . 2]"
1 64 LEU 0.032 0.013 12 0 "[ . 1 . 2]"
1 65 PRO 0.044 0.015 20 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 THR 0.025 0.015 20 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 VAL 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 50 HIS H 1 51 ASN H . . 4.000 4.499 4.435 4.510 0.510 11 15 "[-***** ***+* *. ** *]" 1
2 1 52 GLY H 1 53 MET H . . 2.000 2.507 2.298 2.625 0.625 5 12 "[* + -* **** ** **]" 1
3 1 20 THR HA 1 21 GLY H . . 2.500 2.227 2.162 2.280 . 0 0 "[ . 1 . 2]" 1
4 1 73 VAL H 1 73 VAL HB . . 3.650 2.900 2.464 3.623 . 0 0 "[ . 1 . 2]" 1
5 1 64 LEU H 1 64 LEU HB2 . . 3.010 2.402 2.278 2.508 . 0 0 "[ . 1 . 2]" 1
6 1 63 THR HB 1 64 LEU H . . 4.610 4.403 4.303 4.528 . 0 0 "[ . 1 . 2]" 1
7 1 62 ILE MG 1 63 THR H . . 3.970 3.759 3.370 3.949 . 0 0 "[ . 1 . 2]" 1
8 1 63 THR H 1 63 THR MG . . 4.000 3.851 3.797 3.933 . 0 0 "[ . 1 . 2]" 1
9 1 14 VAL HB 1 63 THR H . . 4.610 3.797 3.455 4.064 . 0 0 "[ . 1 . 2]" 1
10 1 62 ILE HA 1 63 THR H . . 2.990 2.321 2.168 2.569 . 0 0 "[ . 1 . 2]" 1
11 1 16 CYS H 1 63 THR H . . 4.170 3.655 3.020 4.173 0.003 9 0 "[ . 1 . 2]" 1
12 1 62 ILE H 1 62 ILE MD . . 4.250 3.779 3.363 4.253 0.003 6 0 "[ . 1 . 2]" 1
13 1 62 ILE H 1 62 ILE QG . . 3.030 2.332 2.048 2.609 . 0 0 "[ . 1 . 2]" 1
14 1 62 ILE H 1 62 ILE HB . . 4.050 3.921 3.834 3.983 . 0 0 "[ . 1 . 2]" 1
15 1 61 TYR HB2 1 62 ILE H . . 4.290 4.053 3.657 4.291 0.001 18 0 "[ . 1 . 2]" 1
16 1 61 TYR H 1 62 ILE H . . 3.170 2.760 2.404 3.163 . 0 0 "[ . 1 . 2]" 1
17 1 62 ILE H 1 63 THR H . . 4.400 4.359 4.230 4.421 0.021 11 0 "[ . 1 . 2]" 1
18 1 61 TYR H 1 62 ILE MG . . 4.310 3.547 3.145 3.822 . 0 0 "[ . 1 . 2]" 1
19 1 61 TYR H 1 62 ILE QG . . 4.090 3.396 2.753 3.602 . 0 0 "[ . 1 . 2]" 1
20 1 58 PRO HG2 1 61 TYR H . . 4.310 3.314 3.152 3.848 . 0 0 "[ . 1 . 2]" 1
21 1 58 PRO HB2 1 61 TYR H . . 4.300 2.257 2.035 3.043 . 0 0 "[ . 1 . 2]" 1
22 1 61 TYR H 1 61 TYR HB2 . . 3.390 2.425 2.348 2.637 . 0 0 "[ . 1 . 2]" 1
23 1 61 TYR H 1 61 TYR HB3 . . 3.780 3.642 3.599 3.777 . 0 0 "[ . 1 . 2]" 1
24 1 60 LYS H 1 61 TYR H . . 3.740 2.314 2.103 2.659 . 0 0 "[ . 1 . 2]" 1
25 1 60 LYS H 1 60 LYS HG2 . . 4.760 4.200 2.145 4.596 . 0 0 "[ . 1 . 2]" 1
26 1 60 LYS H 1 60 LYS HB2 . . 3.450 2.889 2.595 3.489 0.039 18 0 "[ . 1 . 2]" 1
27 1 59 HIS HB3 1 60 LYS H . . 3.650 3.292 2.870 3.586 . 0 0 "[ . 1 . 2]" 1
28 1 58 PRO HB2 1 59 HIS H . . 4.310 3.655 3.551 3.758 . 0 0 "[ . 1 . 2]" 1
29 1 59 HIS H 1 59 HIS HB2 . . 3.240 2.746 2.640 2.836 . 0 0 "[ . 1 . 2]" 1
30 1 46 TRP HD1 1 59 HIS H . . 3.980 3.374 3.104 3.586 . 0 0 "[ . 1 . 2]" 1
31 1 59 HIS H 1 60 LYS H . . 3.840 2.496 2.398 2.611 . 0 0 "[ . 1 . 2]" 1
32 1 46 TRP H 1 59 HIS H . . 4.620 4.516 4.253 4.629 0.009 20 0 "[ . 1 . 2]" 1
33 1 27 LEU MD1 1 56 LEU H . . 4.570 3.887 3.643 4.116 . 0 0 "[ . 1 . 2]" 1
34 1 27 LEU MD2 1 56 LEU H . . 5.270 4.662 4.513 4.870 . 0 0 "[ . 1 . 2]" 1
35 1 56 LEU H 1 56 LEU HB2 . . 3.350 2.460 2.348 2.556 . 0 0 "[ . 1 . 2]" 1
36 1 56 LEU H 1 57 ILE H . . 4.840 4.545 4.517 4.594 . 0 0 "[ . 1 . 2]" 1
37 1 27 LEU MD1 1 55 GLY H . . 3.500 1.999 1.877 2.277 . 0 0 "[ . 1 . 2]" 1
38 1 27 LEU HG 1 55 GLY H . . 4.330 3.176 2.898 3.357 . 0 0 "[ . 1 . 2]" 1
39 1 54 ARG HB2 1 55 GLY H . . 4.240 4.155 4.000 4.245 0.005 16 0 "[ . 1 . 2]" 1
40 1 54 ARG HB3 1 55 GLY H . . 3.780 3.180 3.040 3.435 . 0 0 "[ . 1 . 2]" 1
41 1 54 ARG HA 1 55 GLY H . . 2.990 2.175 2.145 2.201 . 0 0 "[ . 1 . 2]" 1
42 1 49 GLU HA 1 55 GLY H . . 3.970 3.095 2.994 3.214 . 0 0 "[ . 1 . 2]" 1
43 1 50 HIS H 1 55 GLY H . . 4.700 4.239 4.019 4.524 . 0 0 "[ . 1 . 2]" 1
44 1 55 GLY H 1 56 LEU H . . 5.110 4.342 4.280 4.379 . 0 0 "[ . 1 . 2]" 1
45 1 48 GLY H 1 55 GLY H . . 4.010 3.688 3.521 3.822 . 0 0 "[ . 1 . 2]" 1
46 1 27 LEU MD2 1 54 ARG H . . 4.540 2.632 2.422 2.884 . 0 0 "[ . 1 . 2]" 1
47 1 54 ARG H 1 54 ARG HG2 . . 4.260 4.073 3.926 4.221 . 0 0 "[ . 1 . 2]" 1
48 1 54 ARG H 1 54 ARG HB2 . . 3.200 2.792 2.682 2.910 . 0 0 "[ . 1 . 2]" 1
49 1 54 ARG H 1 54 ARG HB3 . . 3.960 3.861 3.784 3.925 . 0 0 "[ . 1 . 2]" 1
50 1 53 MET HB3 1 54 ARG H . . 3.610 2.695 2.422 2.949 . 0 0 "[ . 1 . 2]" 1
51 1 53 MET HG2 1 54 ARG H . . 4.880 3.915 3.349 4.574 . 0 0 "[ . 1 . 2]" 1
52 1 54 ARG H 1 54 ARG QD . . 5.170 4.817 4.425 5.047 . 0 0 "[ . 1 . 2]" 1
53 1 27 LEU MD2 1 53 MET H . . 4.430 4.270 3.955 4.428 . 0 0 "[ . 1 . 2]" 1
54 1 53 MET H 1 53 MET HB2 . . 3.090 2.499 2.352 2.787 . 0 0 "[ . 1 . 2]" 1
55 1 53 MET H 1 54 ARG H . . 4.620 4.477 4.422 4.527 . 0 0 "[ . 1 . 2]" 1
56 1 50 HIS H 1 53 MET H . . 3.910 3.564 3.267 3.750 . 0 0 "[ . 1 . 2]" 1
57 1 49 GLU HB3 1 50 HIS H . . 4.570 4.448 4.282 4.520 . 0 0 "[ . 1 . 2]" 1
58 1 49 GLU HG3 1 50 HIS H . . 4.060 3.463 3.180 4.064 0.004 15 0 "[ . 1 . 2]" 1
59 1 50 HIS H 1 50 HIS HB2 . . 3.560 2.353 2.301 2.615 . 0 0 "[ . 1 . 2]" 1
60 1 49 GLU H 1 57 ILE MD . . 3.900 3.678 3.480 3.849 . 0 0 "[ . 1 . 2]" 1
61 1 49 GLU H 1 54 ARG HG2 . . 5.500 5.235 5.105 5.435 . 0 0 "[ . 1 . 2]" 1
62 1 49 GLU H 1 49 GLU HB3 . . 4.010 2.599 2.511 2.692 . 0 0 "[ . 1 . 2]" 1
63 1 48 GLY HA2 1 49 GLU H . . 3.160 2.571 2.475 2.650 . 0 0 "[ . 1 . 2]" 1
64 1 27 LEU MD1 1 48 GLY H . . 4.310 3.135 2.913 3.421 . 0 0 "[ . 1 . 2]" 1
65 1 47 ARG QG 1 48 GLY H . . 4.440 4.031 3.782 4.391 . 0 0 "[ . 1 . 2]" 1
66 1 47 ARG HB3 1 48 GLY H . . 4.600 3.621 3.389 3.706 . 0 0 "[ . 1 . 2]" 1
67 1 47 ARG HB2 1 48 GLY H . . 4.600 4.479 4.402 4.523 . 0 0 "[ . 1 . 2]" 1
68 1 47 ARG HA 1 48 GLY H . . 3.010 2.149 2.144 2.158 . 0 0 "[ . 1 . 2]" 1
69 1 47 ARG H 1 48 GLY H . . 4.440 4.217 4.120 4.388 . 0 0 "[ . 1 . 2]" 1
70 1 47 ARG H 1 56 LEU MD2 . . 4.850 4.602 4.336 4.810 . 0 0 "[ . 1 . 2]" 1
71 1 47 ARG H 1 47 ARG QG . . 3.790 3.323 2.981 3.505 . 0 0 "[ . 1 . 2]" 1
72 1 47 ARG H 1 47 ARG HB3 . . 3.680 3.625 3.511 3.719 0.039 20 0 "[ . 1 . 2]" 1
73 1 47 ARG H 1 47 ARG HB2 . . 3.680 2.464 2.281 2.560 . 0 0 "[ . 1 . 2]" 1
74 1 46 TRP HB2 1 47 ARG H . . 4.030 3.505 3.202 3.812 . 0 0 "[ . 1 . 2]" 1
75 1 41 ALA H 1 47 ARG H . . 4.200 3.267 2.325 4.110 . 0 0 "[ . 1 . 2]" 1
76 1 46 TRP H 1 57 ILE HB . . 4.050 3.291 3.053 3.427 . 0 0 "[ . 1 . 2]" 1
77 1 46 TRP H 1 46 TRP HB2 . . 3.490 2.717 2.622 2.852 . 0 0 "[ . 1 . 2]" 1
78 1 45 TRP HE3 1 46 TRP H . . 4.170 3.040 2.895 3.167 . 0 0 "[ . 1 . 2]" 1
79 1 44 ASP HB2 1 45 TRP H . . 4.640 3.828 2.955 4.345 . 0 0 "[ . 1 . 2]" 1
80 1 45 TRP H 1 45 TRP HB2 . . 3.320 2.682 2.451 2.832 . 0 0 "[ . 1 . 2]" 1
81 1 45 TRP H 1 45 TRP HB3 . . 3.970 3.790 3.666 3.873 . 0 0 "[ . 1 . 2]" 1
82 1 45 TRP H 1 45 TRP HD1 . . 4.110 3.449 3.062 3.900 . 0 0 "[ . 1 . 2]" 1
83 1 44 ASP H 1 45 TRP H . . 4.660 2.346 1.800 2.774 . 0 0 "[ . 1 . 2]" 1
84 1 42 SER H 1 45 TRP H . . 3.620 3.182 2.865 3.616 . 0 0 "[ . 1 . 2]" 1
85 1 45 TRP H 1 46 TRP H . . 4.650 4.439 4.334 4.539 . 0 0 "[ . 1 . 2]" 1
86 1 41 ALA H 1 46 TRP HA . . 3.300 2.040 1.896 2.337 . 0 0 "[ . 1 . 2]" 1
87 1 40 ARG H 1 40 ARG HB3 . . 4.160 2.638 2.355 2.908 . 0 0 "[ . 1 . 2]" 1
88 1 40 ARG H 1 40 ARG HB2 . . 4.160 2.522 2.205 3.021 . 0 0 "[ . 1 . 2]" 1
89 1 39 GLU H 1 47 ARG QG . . 4.690 4.448 4.215 4.690 . 0 0 "[ . 1 . 2]" 1
90 1 39 GLU H 1 47 ARG HB3 . . 4.030 3.340 2.983 3.777 . 0 0 "[ . 1 . 2]" 1
91 1 39 GLU H 1 39 GLU QB . . 3.500 2.845 2.748 3.215 . 0 0 "[ . 1 . 2]" 1
92 1 39 GLU H 1 47 ARG HB2 . . 4.030 2.491 2.251 2.732 . 0 0 "[ . 1 . 2]" 1
93 1 38 HIS HB2 1 39 GLU H . . 3.720 2.309 2.044 2.681 . 0 0 "[ . 1 . 2]" 1
94 1 39 GLU H 1 46 TRP HE3 . . 4.570 4.333 3.955 4.569 . 0 0 "[ . 1 . 2]" 1
95 1 38 HIS H 1 39 GLU H . . 3.240 2.904 2.725 3.082 . 0 0 "[ . 1 . 2]" 1
96 1 39 GLU H 1 47 ARG H . . 3.780 3.132 2.928 3.286 . 0 0 "[ . 1 . 2]" 1
97 1 37 LEU H 1 37 LEU HG . . 3.360 2.395 2.212 2.904 . 0 0 "[ . 1 . 2]" 1
98 1 37 LEU H 1 37 LEU HB2 . . 3.490 2.571 2.499 2.671 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL HB 1 37 LEU H . . 4.160 3.925 3.238 4.154 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLU HA 1 37 LEU H . . 4.050 3.234 2.648 3.927 . 0 0 "[ . 1 . 2]" 1
101 1 35 LEU MD2 1 36 ARG H . . 4.380 4.202 4.034 4.305 . 0 0 "[ . 1 . 2]" 1
102 1 35 LEU HB3 1 36 ARG H . . 3.840 3.218 2.550 3.396 . 0 0 "[ . 1 . 2]" 1
103 1 36 ARG H 1 36 ARG HB2 . . 3.770 2.343 2.181 3.074 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU HA 1 36 ARG H . . 5.120 4.937 4.699 5.112 . 0 0 "[ . 1 . 2]" 1
105 1 35 LEU H 1 36 ARG H . . 4.650 4.293 4.179 4.416 . 0 0 "[ . 1 . 2]" 1
106 1 36 ARG H 1 49 GLU H . . 4.200 3.516 3.042 3.707 . 0 0 "[ . 1 . 2]" 1
107 1 34 VAL HB 1 35 LEU H . . 4.410 3.843 3.682 3.973 . 0 0 "[ . 1 . 2]" 1
108 1 14 VAL MG1 1 33 ASP H . . 4.920 4.357 4.109 4.556 . 0 0 "[ . 1 . 2]" 1
109 1 33 ASP H 1 33 ASP HB3 . . 3.660 3.577 3.554 3.592 . 0 0 "[ . 1 . 2]" 1
110 1 32 GLY H 1 33 ASP H . . 3.530 2.855 2.439 3.020 . 0 0 "[ . 1 . 2]" 1
111 1 30 ARG H 1 33 ASP H . . 4.820 4.117 3.961 4.552 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL MG1 1 32 GLY H . . 4.030 3.035 2.685 3.679 . 0 0 "[ . 1 . 2]" 1
113 1 31 ARG QG 1 32 GLY H . . 3.560 2.750 2.478 2.856 . 0 0 "[ . 1 . 2]" 1
114 1 15 ALA MB 1 32 GLY H . . 3.340 2.285 1.905 2.722 . 0 0 "[ . 1 . 2]" 1
115 1 31 ARG H 1 31 ARG QG . . 4.000 3.971 3.846 4.001 0.001 5 0 "[ . 1 . 2]" 1
116 1 31 ARG H 1 31 ARG HB3 . . 3.170 2.631 2.477 2.878 . 0 0 "[ . 1 . 2]" 1
117 1 31 ARG H 1 31 ARG HB2 . . 3.170 2.474 2.240 2.610 . 0 0 "[ . 1 . 2]" 1
118 1 18 ALA HA 1 31 ARG H . . 4.130 2.644 2.255 3.102 . 0 0 "[ . 1 . 2]" 1
119 1 30 ARG HA 1 31 ARG H . . 3.130 2.276 2.203 2.383 . 0 0 "[ . 1 . 2]" 1
120 1 31 ARG H 1 32 GLY H . . 4.640 4.535 4.505 4.594 . 0 0 "[ . 1 . 2]" 1
121 1 30 ARG H 1 30 ARG HB3 . . 3.880 3.398 2.646 3.693 . 0 0 "[ . 1 . 2]" 1
122 1 30 ARG H 1 33 ASP HB2 . . 3.620 2.722 2.558 2.905 . 0 0 "[ . 1 . 2]" 1
123 1 29 PHE QD 1 30 ARG H . . 4.330 3.712 3.517 3.946 . 0 0 "[ . 1 . 2]" 1
124 1 30 ARG H 1 50 HIS HE1 . . 5.500 3.683 3.279 5.127 . 0 0 "[ . 1 . 2]" 1
125 1 19 TYR HB3 1 29 PHE H . . 4.090 3.368 2.995 3.569 . 0 0 "[ . 1 . 2]" 1
126 1 19 TYR HB2 1 29 PHE H . . 5.010 4.861 4.522 5.011 0.001 13 0 "[ . 1 . 2]" 1
127 1 18 ALA HA 1 29 PHE H . . 5.360 4.895 4.519 5.138 . 0 0 "[ . 1 . 2]" 1
128 1 19 TYR HA 1 29 PHE H . . 5.500 5.072 4.872 5.339 . 0 0 "[ . 1 . 2]" 1
129 1 28 SER HA 1 29 PHE H . . 2.970 2.187 2.138 2.308 . 0 0 "[ . 1 . 2]" 1
130 1 29 PHE H 1 29 PHE QD . . 4.000 3.293 3.083 3.497 . 0 0 "[ . 1 . 2]" 1
131 1 27 LEU MD2 1 28 SER H . . 3.620 2.918 2.835 3.170 . 0 0 "[ . 1 . 2]" 1
132 1 27 LEU HB3 1 28 SER H . . 3.980 2.206 2.018 2.475 . 0 0 "[ . 1 . 2]" 1
133 1 27 LEU HB2 1 28 SER H . . 3.980 3.578 3.422 3.828 . 0 0 "[ . 1 . 2]" 1
134 1 28 SER H 1 29 PHE H . . 4.750 4.287 4.042 4.457 . 0 0 "[ . 1 . 2]" 1
135 1 27 LEU H 1 28 SER H . . 4.520 4.507 4.462 4.531 0.011 13 0 "[ . 1 . 2]" 1
136 1 27 LEU H 1 27 LEU MD1 . . 4.210 3.809 3.536 4.004 . 0 0 "[ . 1 . 2]" 1
137 1 27 LEU H 1 27 LEU HG . . 3.380 3.078 2.865 3.285 . 0 0 "[ . 1 . 2]" 1
138 1 27 LEU H 1 27 LEU HB2 . . 3.860 2.375 2.248 2.454 . 0 0 "[ . 1 . 2]" 1
139 1 26 GLU HB2 1 27 LEU H . . 4.270 3.876 3.634 4.186 . 0 0 "[ . 1 . 2]" 1
140 1 26 GLU HB3 1 27 LEU H . . 4.020 2.739 2.421 3.179 . 0 0 "[ . 1 . 2]" 1
141 1 27 LEU H 1 55 GLY HA3 . . 4.610 4.226 3.693 4.480 . 0 0 "[ . 1 . 2]" 1
142 1 27 LEU H 1 56 LEU H . . 4.030 3.809 3.495 3.971 . 0 0 "[ . 1 . 2]" 1
143 1 24 ALA MB 1 26 GLU H . . 4.890 4.553 4.377 4.665 . 0 0 "[ . 1 . 2]" 1
144 1 26 GLU H 1 26 GLU HB2 . . 3.210 2.432 2.358 2.503 . 0 0 "[ . 1 . 2]" 1
145 1 26 GLU H 1 26 GLU HB3 . . 3.790 3.610 3.585 3.648 . 0 0 "[ . 1 . 2]" 1
146 1 25 GLN H 1 26 GLU H . . 3.410 2.869 2.628 3.014 . 0 0 "[ . 1 . 2]" 1
147 1 26 GLU H 1 27 LEU H . . 4.700 4.592 4.522 4.622 . 0 0 "[ . 1 . 2]" 1
148 1 22 ARG H 1 26 GLU H . . 4.770 4.725 4.630 4.772 0.002 16 0 "[ . 1 . 2]" 1
149 1 23 THR MG 1 25 GLN H . . 4.770 4.490 4.285 4.741 . 0 0 "[ . 1 . 2]" 1
150 1 24 ALA MB 1 25 GLN H . . 4.120 2.501 2.200 2.713 . 0 0 "[ . 1 . 2]" 1
151 1 25 GLN H 1 25 GLN HB3 . . 3.870 3.217 2.251 3.593 . 0 0 "[ . 1 . 2]" 1
152 1 25 GLN H 1 25 GLN HB2 . . 3.870 2.597 2.171 3.580 . 0 0 "[ . 1 . 2]" 1
153 1 25 GLN H 1 25 GLN HG3 . . 4.410 3.426 2.063 4.431 0.021 13 0 "[ . 1 . 2]" 1
154 1 23 THR H 1 23 THR MG . . 3.710 2.898 2.740 3.192 . 0 0 "[ . 1 . 2]" 1
155 1 22 ARG QB 1 23 THR H . . 3.550 2.651 2.531 2.889 . 0 0 "[ . 1 . 2]" 1
156 1 23 THR H 1 26 GLU HB2 . . 3.690 2.370 2.144 2.490 . 0 0 "[ . 1 . 2]" 1
157 1 23 THR H 1 26 GLU HB3 . . 4.190 4.018 3.765 4.130 . 0 0 "[ . 1 . 2]" 1
158 1 21 GLY HA3 1 23 THR H . . 4.090 3.949 3.742 4.079 . 0 0 "[ . 1 . 2]" 1
159 1 21 GLY HA2 1 23 THR H . . 4.090 3.963 3.731 4.073 . 0 0 "[ . 1 . 2]" 1
160 1 23 THR H 1 26 GLU H . . 3.970 3.211 3.042 3.396 . 0 0 "[ . 1 . 2]" 1
161 1 22 ARG H 1 23 THR H . . 3.150 2.491 2.179 2.641 . 0 0 "[ . 1 . 2]" 1
162 1 22 ARG H 1 22 ARG HG2 . . 4.140 3.291 2.448 4.098 . 0 0 "[ . 1 . 2]" 1
163 1 22 ARG H 1 22 ARG QB . . 3.020 2.272 2.160 2.445 . 0 0 "[ . 1 . 2]" 1
164 1 21 GLY HA2 1 22 ARG H . . 3.410 2.160 2.140 2.255 . 0 0 "[ . 1 . 2]" 1
165 1 19 TYR QE 1 22 ARG H . . 4.090 3.333 2.954 3.849 . 0 0 "[ . 1 . 2]" 1
166 1 21 GLY H 1 26 GLU HB2 . . 4.990 4.875 4.556 4.986 . 0 0 "[ . 1 . 2]" 1
167 1 21 GLY H 1 28 SER HA . . 3.690 2.453 2.197 2.683 . 0 0 "[ . 1 . 2]" 1
168 1 19 TYR HB3 1 20 THR H . . 3.720 3.657 3.574 3.719 . 0 0 "[ . 1 . 2]" 1
169 1 19 TYR HB2 1 20 THR H . . 4.160 4.000 3.877 4.076 . 0 0 "[ . 1 . 2]" 1
170 1 19 TYR QD 1 20 THR H . . 3.910 2.956 2.691 3.153 . 0 0 "[ . 1 . 2]" 1
171 1 19 TYR H 1 20 THR H . . 4.580 4.478 4.438 4.508 . 0 0 "[ . 1 . 2]" 1
172 1 19 TYR H 1 19 TYR HB3 . . 3.650 2.750 2.693 2.838 . 0 0 "[ . 1 . 2]" 1
173 1 19 TYR H 1 19 TYR HB2 . . 3.820 2.955 2.836 3.106 . 0 0 "[ . 1 . 2]" 1
174 1 19 TYR H 1 30 ARG HA . . 4.060 3.526 3.252 3.775 . 0 0 "[ . 1 . 2]" 1
175 1 19 TYR H 1 28 SER HA . . 4.970 4.778 4.499 4.940 . 0 0 "[ . 1 . 2]" 1
176 1 19 TYR H 1 29 PHE QD . . 3.870 3.266 2.687 3.752 . 0 0 "[ . 1 . 2]" 1
177 1 18 ALA H 1 19 TYR H . . 4.600 4.523 4.437 4.589 . 0 0 "[ . 1 . 2]" 1
178 1 19 TYR H 1 29 PHE H . . 3.600 3.250 2.962 3.495 . 0 0 "[ . 1 . 2]" 1
179 1 17 PHE HB2 1 18 ALA H . . 3.990 3.692 3.300 3.989 . 0 0 "[ . 1 . 2]" 1
180 1 17 PHE H 1 17 PHE HB2 . . 3.570 2.785 2.579 2.938 . 0 0 "[ . 1 . 2]" 1
181 1 17 PHE H 1 17 PHE HB3 . . 4.090 3.853 3.721 3.938 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS H 1 17 PHE H . . 3.020 2.640 2.255 2.829 . 0 0 "[ . 1 . 2]" 1
183 1 16 CYS H 1 31 ARG QG . . 5.330 4.908 4.585 5.152 . 0 0 "[ . 1 . 2]" 1
184 1 16 CYS H 1 62 ILE HA . . 3.330 2.139 1.934 2.427 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA H 1 35 LEU MD1 . . 4.810 4.157 3.786 4.341 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL MG1 1 15 ALA H . . 3.490 2.164 1.884 2.532 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA H 1 35 LEU HG . . 4.660 4.118 3.901 4.318 . 0 0 "[ . 1 . 2]" 1
188 1 15 ALA H 1 33 ASP HB2 . . 5.130 4.716 4.450 4.861 . 0 0 "[ . 1 . 2]" 1
189 1 15 ALA H 1 32 GLY HA2 . . 4.880 3.907 3.579 4.173 . 0 0 "[ . 1 . 2]" 1
190 1 15 ALA H 1 34 VAL HA . . 3.900 3.420 3.009 3.600 . 0 0 "[ . 1 . 2]" 1
191 1 15 ALA H 1 33 ASP H . . 4.200 4.108 3.496 4.201 0.001 17 0 "[ . 1 . 2]" 1
192 1 17 PHE H 1 31 ARG QG . . 4.640 4.144 3.611 4.536 . 0 0 "[ . 1 . 2]" 1
193 1 14 VAL H 1 63 THR H . . 3.660 3.062 2.611 3.441 . 0 0 "[ . 1 . 2]" 1
194 1 13 ALA H 1 34 VAL MG1 . . 3.960 2.970 2.532 3.452 . 0 0 "[ . 1 . 2]" 1
195 1 13 ALA H 1 37 LEU HG . . 3.830 3.234 2.862 3.722 . 0 0 "[ . 1 . 2]" 1
196 1 12 GLU HB3 1 13 ALA H . . 3.810 3.378 3.086 3.584 . 0 0 "[ . 1 . 2]" 1
197 1 12 GLU HA 1 13 ALA H . . 2.860 2.152 2.139 2.199 . 0 0 "[ . 1 . 2]" 1
198 1 11 VAL MG1 1 12 GLU H . . 3.580 2.531 2.019 3.034 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL MG2 1 12 GLU H . . 4.330 4.029 3.717 4.175 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLU H 1 12 GLU HB2 . . 3.280 2.286 2.218 2.458 . 0 0 "[ . 1 . 2]" 1
201 1 12 GLU H 1 13 ALA H . . 4.570 4.458 4.346 4.567 . 0 0 "[ . 1 . 2]" 1
202 1 10 VAL MG1 1 11 VAL H . . 3.370 2.236 2.005 2.502 . 0 0 "[ . 1 . 2]" 1
203 1 11 VAL H 1 37 LEU HB2 . . 4.100 3.026 2.468 3.505 . 0 0 "[ . 1 . 2]" 1
204 1 11 VAL H 1 11 VAL HB . . 3.270 2.601 2.505 2.759 . 0 0 "[ . 1 . 2]" 1
205 1 11 VAL H 1 37 LEU H . . 3.920 3.312 2.659 3.710 . 0 0 "[ . 1 . 2]" 1
206 1 10 VAL H 1 10 VAL MG2 . . 3.200 2.831 2.404 3.115 . 0 0 "[ . 1 . 2]" 1
207 1 10 VAL H 1 10 VAL HB . . 3.150 2.709 2.510 2.977 . 0 0 "[ . 1 . 2]" 1
208 1 10 VAL H 1 11 VAL H . . 4.550 4.401 4.207 4.527 . 0 0 "[ . 1 . 2]" 1
209 1 9 GLY H 1 10 VAL H . . 4.580 4.059 2.534 4.442 . 0 0 "[ . 1 . 2]" 1
210 1 38 HIS H 1 57 ILE MD . . 4.830 4.534 4.267 4.785 . 0 0 "[ . 1 . 2]" 1
211 1 37 LEU HB3 1 38 HIS H . . 4.250 3.957 3.816 4.071 . 0 0 "[ . 1 . 2]" 1
212 1 37 LEU HA 1 38 HIS H . . 3.000 2.232 2.181 2.289 . 0 0 "[ . 1 . 2]" 1
213 1 34 VAL H 1 34 VAL MG1 . . 4.000 3.770 3.762 3.779 . 0 0 "[ . 1 . 2]" 1
214 1 33 ASP HB3 1 34 VAL H . . 3.640 3.612 3.544 3.643 0.003 18 0 "[ . 1 . 2]" 1
215 1 33 ASP H 1 34 VAL H . . 4.500 4.428 4.413 4.452 . 0 0 "[ . 1 . 2]" 1
216 1 34 VAL H 1 35 LEU H . . 4.860 4.617 4.596 4.634 . 0 0 "[ . 1 . 2]" 1
217 1 57 ILE H 1 57 ILE MG . . 3.930 3.813 3.764 3.894 . 0 0 "[ . 1 . 2]" 1
218 1 57 ILE H 1 57 ILE HB . . 3.310 2.792 2.680 2.851 . 0 0 "[ . 1 . 2]" 1
219 1 46 TRP HB2 1 57 ILE H . . 4.210 3.628 3.520 3.721 . 0 0 "[ . 1 . 2]" 1
220 1 46 TRP HB3 1 57 ILE H . . 4.770 4.725 4.595 4.779 0.009 14 0 "[ . 1 . 2]" 1
221 1 46 TRP HA 1 57 ILE H . . 4.700 4.402 4.316 4.463 . 0 0 "[ . 1 . 2]" 1
222 1 47 ARG HA 1 57 ILE H . . 4.930 3.863 3.618 4.187 . 0 0 "[ . 1 . 2]" 1
223 1 41 ALA MB 1 42 SER H . . 3.280 2.438 2.164 2.703 . 0 0 "[ . 1 . 2]" 1
224 1 42 SER H 1 45 TRP HB2 . . 4.090 3.022 2.420 3.449 . 0 0 "[ . 1 . 2]" 1
225 1 42 SER H 1 45 TRP HB3 . . 4.680 3.874 3.455 4.194 . 0 0 "[ . 1 . 2]" 1
226 1 40 ARG HA 1 42 SER H . . 4.060 4.030 3.917 4.065 0.005 12 0 "[ . 1 . 2]" 1
227 1 42 SER H 1 46 TRP HA . . 4.230 3.371 2.917 3.766 . 0 0 "[ . 1 . 2]" 1
228 1 46 TRP HE1 1 62 ILE MD . . 4.980 3.346 2.671 3.847 . 0 0 "[ . 1 . 2]" 1
229 1 63 THR HA 1 64 LEU H . . 2.740 2.175 2.143 2.250 . 0 0 "[ . 1 . 2]" 1
230 1 64 LEU H 1 65 PRO HD2 . . 4.960 4.761 4.724 4.794 . 0 0 "[ . 1 . 2]" 1
231 1 16 CYS H 1 62 ILE H . . 4.870 4.098 3.739 4.608 . 0 0 "[ . 1 . 2]" 1
232 1 60 LYS H 1 62 ILE H . . 4.880 4.088 3.589 4.715 . 0 0 "[ . 1 . 2]" 1
233 1 46 TRP H 1 57 ILE H . . 3.820 2.193 2.012 2.326 . 0 0 "[ . 1 . 2]" 1
234 1 41 ALA H 1 42 SER H . . 3.310 2.600 1.998 3.122 . 0 0 "[ . 1 . 2]" 1
235 1 37 LEU HB3 1 39 GLU H . . 4.870 4.190 3.792 4.692 . 0 0 "[ . 1 . 2]" 1
236 1 41 ALA H 1 46 TRP HB2 . . 5.160 4.974 4.854 5.165 0.005 20 0 "[ . 1 . 2]" 1
237 1 41 ALA H 1 46 TRP HB3 . . 5.110 4.182 3.946 4.343 . 0 0 "[ . 1 . 2]" 1
238 1 41 ALA H 1 47 ARG QD . . 5.500 4.704 3.082 5.502 0.002 3 0 "[ . 1 . 2]" 1
239 1 72 VAL H 1 72 VAL HB . . 3.890 3.118 2.490 3.867 . 0 0 "[ . 1 . 2]" 1
240 1 64 LEU HB2 1 68 THR HB . . 3.980 3.572 2.030 3.977 . 0 0 "[ . 1 . 2]" 1
241 1 65 PRO HD2 1 68 THR MG . . 4.440 3.866 2.065 4.449 0.009 14 0 "[ . 1 . 2]" 1
242 1 65 PRO HA 1 66 ALA MB . . 4.310 4.169 4.063 4.270 . 0 0 "[ . 1 . 2]" 1
243 1 12 GLU H 1 65 PRO QG . . 4.620 3.692 2.832 4.290 . 0 0 "[ . 1 . 2]" 1
244 1 11 VAL MG1 1 65 PRO QG . . 3.680 2.234 1.767 2.529 . 0 0 "[ . 1 . 2]" 1
245 1 11 VAL MG2 1 65 PRO QG . . 4.280 3.831 3.341 4.080 . 0 0 "[ . 1 . 2]" 1
246 1 65 PRO QG 1 68 THR MG . . 4.910 4.325 2.176 4.925 0.015 20 0 "[ . 1 . 2]" 1
247 1 64 LEU HB2 1 65 PRO HD2 . . 3.680 3.629 3.566 3.674 . 0 0 "[ . 1 . 2]" 1
248 1 64 LEU HA 1 65 PRO HD2 . . 2.970 2.400 2.357 2.465 . 0 0 "[ . 1 . 2]" 1
249 1 64 LEU HA 1 65 PRO HD3 . . 2.880 2.300 2.284 2.327 . 0 0 "[ . 1 . 2]" 1
250 1 13 ALA MB 1 65 PRO HD3 . . 3.650 3.325 2.797 3.643 . 0 0 "[ . 1 . 2]" 1
251 1 64 LEU HA 1 65 PRO QG . . 4.330 4.002 3.975 4.044 . 0 0 "[ . 1 . 2]" 1
252 1 64 LEU HB3 1 65 PRO HD2 . . 3.590 2.035 1.996 2.089 . 0 0 "[ . 1 . 2]" 1
253 1 64 LEU HB2 1 65 PRO HD3 . . 4.850 4.697 4.651 4.725 . 0 0 "[ . 1 . 2]" 1
254 1 64 LEU HG 1 65 PRO HD2 . . 4.450 4.236 3.052 4.450 . 0 0 "[ . 1 . 2]" 1
255 1 64 LEU HG 1 65 PRO HD3 . . 5.430 4.980 3.742 5.224 . 0 0 "[ . 1 . 2]" 1
256 1 62 ILE MD 1 64 LEU HG . . 4.160 2.693 2.184 3.781 . 0 0 "[ . 1 . 2]" 1
257 1 64 LEU H 1 64 LEU HG . . 3.420 2.510 2.190 3.417 . 0 0 "[ . 1 . 2]" 1
258 1 64 LEU H 1 64 LEU MD1 . . 4.140 3.506 2.192 3.965 . 0 0 "[ . 1 . 2]" 1
259 1 64 LEU HA 1 64 LEU MD1 . . 3.960 3.788 3.176 3.930 . 0 0 "[ . 1 . 2]" 1
260 1 64 LEU MD1 1 65 PRO HD2 . . 4.340 3.829 3.205 4.265 . 0 0 "[ . 1 . 2]" 1
261 1 64 LEU H 1 64 LEU MD2 . . 4.140 3.531 3.280 4.126 . 0 0 "[ . 1 . 2]" 1
262 1 46 TRP HZ2 1 64 LEU MD2 . . 3.880 3.408 2.622 3.867 . 0 0 "[ . 1 . 2]" 1
263 1 64 LEU HA 1 64 LEU MD2 . . 3.960 2.229 1.906 3.520 . 0 0 "[ . 1 . 2]" 1
264 1 64 LEU MD2 1 65 PRO HD2 . . 4.340 2.320 1.976 2.762 . 0 0 "[ . 1 . 2]" 1
265 1 63 THR HA 1 64 LEU HB2 . . 4.710 4.476 4.332 4.602 . 0 0 "[ . 1 . 2]" 1
266 1 14 VAL MG2 1 63 THR HB . . 4.720 4.443 3.751 4.720 . 9 0 "[ . 1 . 2]" 1
267 1 14 VAL HB 1 63 THR HB . . 3.620 3.286 2.553 3.556 . 0 0 "[ . 1 . 2]" 1
268 1 62 ILE HA 1 63 THR HB . . 4.680 4.546 4.402 4.679 . 0 0 "[ . 1 . 2]" 1
269 1 14 VAL H 1 63 THR HB . . 4.170 3.841 3.344 4.128 . 0 0 "[ . 1 . 2]" 1
270 1 63 THR H 1 63 THR HB . . 3.080 2.661 2.505 2.914 . 0 0 "[ . 1 . 2]" 1
271 1 14 VAL H 1 63 THR MG . . 4.860 4.658 4.408 4.861 0.001 11 0 "[ . 1 . 2]" 1
272 1 63 THR MG 1 64 LEU H . . 3.280 2.990 2.567 3.280 . 18 0 "[ . 1 . 2]" 1
273 1 63 THR HA 1 63 THR MG . . 3.060 2.409 2.271 2.477 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL H 1 62 ILE HB . . 4.600 4.013 3.688 4.364 . 0 0 "[ . 1 . 2]" 1
275 1 62 ILE HB 1 63 THR H . . 3.230 2.632 2.016 3.129 . 0 0 "[ . 1 . 2]" 1
276 1 16 CYS H 1 62 ILE MG . . 4.100 3.433 3.090 3.709 . 0 0 "[ . 1 . 2]" 1
277 1 62 ILE H 1 62 ILE MG . . 3.610 3.092 2.906 3.422 . 0 0 "[ . 1 . 2]" 1
278 1 14 VAL H 1 62 ILE MG . . 5.160 4.805 4.271 5.073 . 0 0 "[ . 1 . 2]" 1
279 1 17 PHE H 1 62 ILE MG . . 5.450 4.589 4.391 4.850 . 0 0 "[ . 1 . 2]" 1
280 1 62 ILE HA 1 62 ILE MG . . 3.120 2.325 2.104 2.440 . 0 0 "[ . 1 . 2]" 1
281 1 61 TYR HB3 1 62 ILE MG . . 4.060 3.673 3.517 3.920 . 0 0 "[ . 1 . 2]" 1
282 1 61 TYR HB2 1 62 ILE MG . . 4.010 3.239 3.071 3.564 . 0 0 "[ . 1 . 2]" 1
283 1 62 ILE MD 1 63 THR H . . 4.540 3.555 3.068 4.221 . 0 0 "[ . 1 . 2]" 1
284 1 62 ILE MD 1 64 LEU H . . 4.880 3.444 2.781 4.207 . 0 0 "[ . 1 . 2]" 1
285 1 14 VAL H 1 62 ILE MD . . 5.170 4.666 4.245 4.962 . 0 0 "[ . 1 . 2]" 1
286 1 61 TYR H 1 62 ILE MD . . 5.030 4.905 4.321 5.033 0.003 10 0 "[ . 1 . 2]" 1
287 1 62 ILE HA 1 62 ILE MD . . 4.270 3.846 3.579 4.160 . 0 0 "[ . 1 . 2]" 1
288 1 46 TRP HB2 1 62 ILE MD . . 4.460 4.088 3.576 4.460 0.000 19 0 "[ . 1 . 2]" 1
289 1 58 PRO HG2 1 61 TYR HB3 . . 4.010 3.454 3.298 3.562 . 0 0 "[ . 1 . 2]" 1
290 1 61 TYR HB3 1 62 ILE H . . 5.250 4.395 4.217 4.432 . 0 0 "[ . 1 . 2]" 1
291 1 29 PHE QE 1 61 TYR HB3 . . 3.630 3.031 2.703 3.319 . 0 0 "[ . 1 . 2]" 1
292 1 17 PHE H 1 61 TYR HB3 . . 4.520 3.095 2.640 3.585 . 0 0 "[ . 1 . 2]" 1
293 1 58 PRO HG3 1 61 TYR HB2 . . 4.180 2.844 2.551 3.236 . 0 0 "[ . 1 . 2]" 1
294 1 60 LYS HA 1 60 LYS HG2 . . 4.110 3.429 2.328 3.899 . 0 0 "[ . 1 . 2]" 1
295 1 59 HIS HD2 1 60 LYS HA . . 4.100 3.391 2.884 3.958 . 0 0 "[ . 1 . 2]" 1
296 1 60 LYS HA 1 62 ILE H . . 4.230 3.672 3.582 3.829 . 0 0 "[ . 1 . 2]" 1
297 1 60 LYS HB2 1 61 TYR QD . . 4.170 3.795 2.272 4.145 . 0 0 "[ . 1 . 2]" 1
298 1 60 LYS H 1 60 LYS HB3 . . 3.450 2.480 2.327 3.544 0.094 17 0 "[ . 1 . 2]" 1
299 1 60 LYS H 1 60 LYS HG3 . . 4.760 4.222 1.967 4.657 . 0 0 "[ . 1 . 2]" 1
300 1 60 LYS HG3 1 61 TYR QD . . 4.460 3.727 1.995 4.459 . 0 0 "[ . 1 . 2]" 1
301 1 60 LYS HG2 1 61 TYR QD . . 4.460 3.273 2.835 4.460 0.000 17 0 "[ . 1 . 2]" 1
302 1 60 LYS HA 1 60 LYS HG3 . . 4.110 2.925 2.411 3.741 . 0 0 "[ . 1 . 2]" 1
303 1 60 LYS QD 1 61 TYR QE . . 4.670 3.496 1.891 4.689 0.019 20 0 "[ . 1 . 2]" 1
304 1 60 LYS QE 1 61 TYR QE . . 4.320 3.587 1.893 4.322 0.002 2 0 "[ . 1 . 2]" 1
305 1 59 HIS HA 1 62 ILE MD . . 3.430 2.239 1.973 2.605 . 0 0 "[ . 1 . 2]" 1
306 1 59 HIS HA 1 62 ILE QG . . 3.280 1.943 1.884 1.990 . 0 0 "[ . 1 . 2]" 1
307 1 59 HIS HA 1 62 ILE H . . 4.570 4.072 3.610 4.537 . 0 0 "[ . 1 . 2]" 1
308 1 59 HIS HA 1 61 TYR H . . 4.370 4.170 3.362 4.375 0.005 14 0 "[ . 1 . 2]" 1
309 1 46 TRP HE1 1 59 HIS HA . . 3.840 3.426 3.012 3.838 . 0 0 "[ . 1 . 2]" 1
310 1 58 PRO HA 1 59 HIS HB3 . . 4.610 4.511 4.462 4.581 . 0 0 "[ . 1 . 2]" 1
311 1 58 PRO HA 1 59 HIS HB2 . . 4.910 4.708 4.621 4.774 . 0 0 "[ . 1 . 2]" 1
312 1 46 TRP HD1 1 59 HIS HB3 . . 4.100 3.674 3.506 3.991 . 0 0 "[ . 1 . 2]" 1
313 1 59 HIS H 1 59 HIS HB3 . . 3.410 2.385 2.335 2.456 . 0 0 "[ . 1 . 2]" 1
314 1 59 HIS HB2 1 60 LYS H . . 4.420 4.292 4.048 4.426 0.006 11 0 "[ . 1 . 2]" 1
315 1 46 TRP HE1 1 59 HIS HB3 . . 4.350 3.502 3.389 3.943 . 0 0 "[ . 1 . 2]" 1
316 1 46 TRP HE1 1 59 HIS HB2 . . 4.140 2.014 1.900 2.486 . 0 0 "[ . 1 . 2]" 1
317 1 45 TRP HA 1 58 PRO HA . . 3.370 3.142 2.901 3.367 . 0 0 "[ . 1 . 2]" 1
318 1 45 TRP HZ3 1 58 PRO HA . . 4.340 3.781 3.533 3.930 . 0 0 "[ . 1 . 2]" 1
319 1 46 TRP HD1 1 58 PRO HA . . 4.870 4.566 4.390 4.810 . 0 0 "[ . 1 . 2]" 1
320 1 45 TRP HE3 1 58 PRO HA . . 3.780 3.341 3.124 3.531 . 0 0 "[ . 1 . 2]" 1
321 1 58 PRO HA 1 59 HIS H . . 2.860 2.152 2.150 2.157 . 0 0 "[ . 1 . 2]" 1
322 1 46 TRP H 1 58 PRO HA . . 4.430 4.330 4.202 4.430 0.000 3 0 "[ . 1 . 2]" 1
323 1 58 PRO HB2 1 61 TYR HB2 . . 4.180 2.532 2.162 2.795 . 0 0 "[ . 1 . 2]" 1
324 1 58 PRO HB2 1 61 TYR HB3 . . 4.740 4.253 3.904 4.503 . 0 0 "[ . 1 . 2]" 1
325 1 58 PRO HB2 1 60 LYS H . . 4.200 2.827 2.578 3.276 . 0 0 "[ . 1 . 2]" 1
326 1 58 PRO HB3 1 60 LYS H . . 4.630 4.077 3.928 4.414 . 0 0 "[ . 1 . 2]" 1
327 1 58 PRO HB3 1 59 HIS H . . 4.190 4.085 4.013 4.157 . 0 0 "[ . 1 . 2]" 1
328 1 45 TRP HE3 1 58 PRO HB3 . . 4.970 4.564 4.315 4.740 . 0 0 "[ . 1 . 2]" 1
329 1 45 TRP HZ2 1 58 PRO HB3 . . 5.440 4.695 4.288 4.992 . 0 0 "[ . 1 . 2]" 1
330 1 58 PRO HB3 1 61 TYR QD . . 3.890 3.667 3.469 3.857 . 0 0 "[ . 1 . 2]" 1
331 1 29 PHE QE 1 58 PRO HG3 . . 4.510 3.893 3.699 4.174 . 0 0 "[ . 1 . 2]" 1
332 1 45 TRP HH2 1 58 PRO HG3 . . 4.960 4.831 4.672 4.961 0.001 20 0 "[ . 1 . 2]" 1
333 1 19 TYR QD 1 58 PRO HG3 . . 4.030 3.230 2.897 3.605 . 0 0 "[ . 1 . 2]" 1
334 1 29 PHE HZ 1 58 PRO HG3 . . 4.250 2.964 2.710 3.345 . 0 0 "[ . 1 . 2]" 1
335 1 58 PRO HG2 1 61 TYR HB2 . . 3.610 2.004 1.990 2.070 . 0 0 "[ . 1 . 2]" 1
336 1 29 PHE HZ 1 58 PRO HG2 . . 3.610 2.138 1.997 2.433 . 0 0 "[ . 1 . 2]" 1
337 1 57 ILE MG 1 58 PRO HD2 . . 3.320 1.959 1.920 1.973 . 0 0 "[ . 1 . 2]" 1
338 1 58 PRO HD2 1 61 TYR HB2 . . 4.400 4.268 4.224 4.331 . 0 0 "[ . 1 . 2]" 1
339 1 57 ILE HA 1 58 PRO HD2 . . 3.190 2.096 2.062 2.123 . 0 0 "[ . 1 . 2]" 1
340 1 29 PHE HZ 1 58 PRO HD2 . . 3.170 2.185 2.003 2.351 . 0 0 "[ . 1 . 2]" 1
341 1 29 PHE QE 1 58 PRO HD2 . . 3.410 2.417 2.053 2.676 . 0 0 "[ . 1 . 2]" 1
342 1 29 PHE QE 1 58 PRO HD3 . . 3.820 3.502 3.323 3.789 . 0 0 "[ . 1 . 2]" 1
343 1 45 TRP HZ3 1 58 PRO HD3 . . 3.310 2.621 2.437 2.697 . 0 0 "[ . 1 . 2]" 1
344 1 57 ILE HA 1 58 PRO HD3 . . 3.170 2.261 2.256 2.270 . 0 0 "[ . 1 . 2]" 1
345 1 46 TRP HB2 1 57 ILE HB . . 3.250 2.128 1.997 2.255 . 0 0 "[ . 1 . 2]" 1
346 1 29 PHE QD 1 57 ILE HG12 . . 4.820 3.869 3.634 4.124 . 0 0 "[ . 1 . 2]" 1
347 1 29 PHE HZ 1 57 ILE HG12 . . 5.340 4.218 4.025 4.500 . 0 0 "[ . 1 . 2]" 1
348 1 29 PHE QE 1 57 ILE HG12 . . 4.440 2.397 2.127 2.629 . 0 0 "[ . 1 . 2]" 1
349 1 57 ILE H 1 57 ILE HG12 . . 4.570 4.434 4.248 4.561 . 0 0 "[ . 1 . 2]" 1
350 1 35 LEU MD2 1 57 ILE HG12 . . 4.460 3.990 3.742 4.268 . 0 0 "[ . 1 . 2]" 1
351 1 35 LEU MD1 1 57 ILE HG12 . . 4.480 2.569 2.107 3.070 . 0 0 "[ . 1 . 2]" 1
352 1 29 PHE QE 1 57 ILE HG13 . . 4.630 3.983 3.630 4.260 . 0 0 "[ . 1 . 2]" 1
353 1 57 ILE HA 1 57 ILE HG13 . . 3.840 2.772 2.598 2.936 . 0 0 "[ . 1 . 2]" 1
354 1 57 ILE HA 1 57 ILE HG12 . . 3.840 2.492 2.382 2.608 . 0 0 "[ . 1 . 2]" 1
355 1 29 PHE QE 1 57 ILE MG . . 3.390 2.769 2.000 3.198 . 0 0 "[ . 1 . 2]" 1
356 1 29 PHE HZ 1 57 ILE MG . . 3.390 2.816 2.340 3.170 . 0 0 "[ . 1 . 2]" 1
357 1 57 ILE HA 1 57 ILE MG . . 3.310 2.519 2.444 2.570 . 0 0 "[ . 1 . 2]" 1
358 1 57 ILE MG 1 59 HIS HA . . 4.320 3.734 3.590 4.074 . 0 0 "[ . 1 . 2]" 1
359 1 57 ILE MG 1 58 PRO HD3 . . 3.640 3.363 3.263 3.417 . 0 0 "[ . 1 . 2]" 1
360 1 46 TRP HB3 1 57 ILE MG . . 4.400 4.096 3.734 4.409 0.009 14 0 "[ . 1 . 2]" 1
361 1 46 TRP HB2 1 57 ILE MD . . 3.850 3.515 3.273 3.713 . 0 0 "[ . 1 . 2]" 1
362 1 46 TRP HB3 1 57 ILE MD . . 4.280 3.923 3.745 4.132 . 0 0 "[ . 1 . 2]" 1
363 1 48 GLY HA2 1 57 ILE MD . . 3.660 3.494 3.340 3.661 0.001 18 0 "[ . 1 . 2]" 1
364 1 57 ILE HA 1 57 ILE MD . . 4.100 3.793 3.755 3.852 . 0 0 "[ . 1 . 2]" 1
365 1 29 PHE QD 1 57 ILE MD . . 4.730 4.287 3.956 4.479 . 0 0 "[ . 1 . 2]" 1
366 1 29 PHE QE 1 57 ILE MD . . 4.570 3.649 3.394 3.887 . 0 0 "[ . 1 . 2]" 1
367 1 36 ARG H 1 57 ILE MD . . 4.610 4.125 3.608 4.388 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLY H 1 57 ILE MD . . 3.610 3.052 2.693 3.376 . 0 0 "[ . 1 . 2]" 1
369 1 57 ILE H 1 57 ILE MD . . 4.640 4.358 4.126 4.535 . 0 0 "[ . 1 . 2]" 1
370 1 45 TRP HE3 1 56 LEU HA . . 4.680 4.426 4.249 4.635 . 0 0 "[ . 1 . 2]" 1
371 1 47 ARG HA 1 56 LEU HA . . 3.380 2.406 2.279 2.601 . 0 0 "[ . 1 . 2]" 1
372 1 48 GLY H 1 56 LEU HA . . 4.190 3.254 3.129 3.373 . 0 0 "[ . 1 . 2]" 1
373 1 56 LEU HA 1 57 ILE H . . 2.930 2.542 2.462 2.605 . 0 0 "[ . 1 . 2]" 1
374 1 56 LEU H 1 56 LEU HB3 . . 3.910 3.610 3.579 3.632 . 0 0 "[ . 1 . 2]" 1
375 1 45 TRP HB3 1 56 LEU MD1 . . 4.350 3.760 3.175 4.091 . 0 0 "[ . 1 . 2]" 1
376 1 56 LEU HA 1 56 LEU MD1 . . 4.070 3.925 3.889 3.958 . 0 0 "[ . 1 . 2]" 1
377 1 45 TRP HE3 1 56 LEU MD1 . . 4.290 3.726 3.549 3.929 . 0 0 "[ . 1 . 2]" 1
378 1 56 LEU H 1 56 LEU MD1 . . 4.060 3.313 3.240 3.462 . 0 0 "[ . 1 . 2]" 1
379 1 56 LEU MD2 1 57 ILE H . . 3.630 3.344 3.029 3.557 . 0 0 "[ . 1 . 2]" 1
380 1 56 LEU H 1 56 LEU MD2 . . 4.040 3.818 3.680 3.947 . 0 0 "[ . 1 . 2]" 1
381 1 45 TRP HE3 1 56 LEU MD2 . . 3.930 3.807 3.582 3.933 0.003 14 0 "[ . 1 . 2]" 1
382 1 56 LEU HA 1 56 LEU MD2 . . 2.980 2.439 2.275 2.580 . 0 0 "[ . 1 . 2]" 1
383 1 47 ARG HA 1 56 LEU MD2 . . 3.410 3.181 3.003 3.331 . 0 0 "[ . 1 . 2]" 1
384 1 45 TRP HB3 1 56 LEU MD2 . . 3.420 2.729 2.316 3.068 . 0 0 "[ . 1 . 2]" 1
385 1 45 TRP HB2 1 56 LEU MD2 . . 3.790 3.577 3.071 3.790 0.000 19 0 "[ . 1 . 2]" 1
386 1 56 LEU H 1 56 LEU HG . . 3.480 2.469 2.295 2.638 . 0 0 "[ . 1 . 2]" 1
387 1 45 TRP HE3 1 56 LEU HG . . 5.500 5.226 5.048 5.412 . 0 0 "[ . 1 . 2]" 1
388 1 56 LEU HA 1 56 LEU HG . . 3.750 2.863 2.757 2.971 . 0 0 "[ . 1 . 2]" 1
389 1 55 GLY HA2 1 56 LEU HG . . 4.420 3.884 3.766 4.121 . 0 0 "[ . 1 . 2]" 1
390 1 55 GLY HA3 1 56 LEU HG . . 4.630 4.442 4.187 4.619 . 0 0 "[ . 1 . 2]" 1
391 1 27 LEU MD1 1 55 GLY HA3 . . 3.850 3.087 2.874 3.310 . 0 0 "[ . 1 . 2]" 1
392 1 27 LEU HG 1 55 GLY HA3 . . 3.510 2.079 1.999 2.235 . 0 0 "[ . 1 . 2]" 1
393 1 55 GLY HA2 1 56 LEU H . . 3.340 2.783 2.705 2.871 . 0 0 "[ . 1 . 2]" 1
394 1 27 LEU HG 1 55 GLY HA2 . . 3.790 3.677 3.551 3.793 0.003 16 0 "[ . 1 . 2]" 1
395 1 55 GLY HA3 1 56 LEU H . . 3.270 2.366 2.297 2.429 . 0 0 "[ . 1 . 2]" 1
396 1 49 GLU H 1 54 ARG HA . . 5.070 4.906 4.852 4.979 . 0 0 "[ . 1 . 2]" 1
397 1 50 HIS H 1 54 ARG HA . . 3.970 3.000 2.834 3.451 . 0 0 "[ . 1 . 2]" 1
398 1 53 MET HA 1 54 ARG HA . . 4.720 4.468 4.437 4.500 . 0 0 "[ . 1 . 2]" 1
399 1 54 ARG HA 1 55 GLY HA2 . . 4.640 4.449 4.401 4.479 . 0 0 "[ . 1 . 2]" 1
400 1 54 ARG HA 1 54 ARG QD . . 4.140 3.985 3.653 4.183 0.043 15 0 "[ . 1 . 2]" 1
401 1 38 HIS HE1 1 54 ARG HG2 . . 4.600 4.479 4.236 4.603 0.003 20 0 "[ . 1 . 2]" 1
402 1 54 ARG HA 1 54 ARG HG2 . . 3.600 2.475 2.273 2.710 . 0 0 "[ . 1 . 2]" 1
403 1 54 ARG HA 1 54 ARG HG3 . . 3.850 3.191 3.042 3.329 . 0 0 "[ . 1 . 2]" 1
404 1 54 ARG H 1 54 ARG HG3 . . 3.750 3.287 3.058 3.585 . 0 0 "[ . 1 . 2]" 1
405 1 47 ARG QD 1 56 LEU MD2 . . 4.010 3.374 1.970 3.832 . 0 0 "[ . 1 . 2]" 1
406 1 41 ALA MB 1 47 ARG QD . . 4.180 3.053 2.302 3.581 . 0 0 "[ . 1 . 2]" 1
407 1 47 ARG H 1 47 ARG QD . . 4.740 4.469 4.091 4.743 0.003 15 0 "[ . 1 . 2]" 1
408 1 47 ARG HA 1 47 ARG QD . . 4.110 3.635 1.972 4.082 . 0 0 "[ . 1 . 2]" 1
409 1 27 LEU MD2 1 53 MET HB3 . . 3.420 1.963 1.863 2.305 . 0 0 "[ . 1 . 2]" 1
410 1 27 LEU MD2 1 53 MET HB2 . . 3.410 2.792 2.257 3.097 . 0 0 "[ . 1 . 2]" 1
411 1 53 MET H 1 53 MET HB3 . . 3.790 3.625 3.539 3.831 0.041 7 0 "[ . 1 . 2]" 1
412 1 53 MET HB2 1 54 ARG H . . 4.400 3.963 3.676 4.160 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU MD2 1 53 MET HG2 . . 4.360 3.844 3.420 4.361 0.001 19 0 "[ . 1 . 2]" 1
414 1 53 MET HG3 1 54 ARG H . . 4.880 4.554 3.967 4.895 0.015 16 0 "[ . 1 . 2]" 1
415 1 49 GLU HG2 1 52 GLY HA2 . . 5.500 5.371 4.986 5.513 0.013 18 0 "[ . 1 . 2]" 1
416 1 51 ASN HA 1 52 GLY H . . 3.470 2.296 2.195 2.436 . 0 0 "[ . 1 . 2]" 1
417 1 50 HIS H 1 50 HIS HB3 . . 3.930 2.861 2.848 2.894 . 0 0 "[ . 1 . 2]" 1
418 1 35 LEU MD2 1 50 HIS HB2 . . 3.690 3.641 3.259 3.692 0.002 8 0 "[ . 1 . 2]" 1
419 1 27 LEU MD2 1 50 HIS HB3 . . 3.360 3.067 2.800 3.362 0.002 16 0 "[ . 1 . 2]" 1
420 1 49 GLU HA 1 50 HIS H . . 2.900 2.148 2.140 2.191 . 0 0 "[ . 1 . 2]" 1
421 1 49 GLU HA 1 53 MET H . . 5.160 5.012 4.655 5.184 0.024 14 0 "[ . 1 . 2]" 1
422 1 49 GLU HA 1 50 HIS HB2 . . 4.550 4.281 4.169 4.325 . 0 0 "[ . 1 . 2]" 1
423 1 49 GLU HA 1 54 ARG HG2 . . 4.210 2.962 2.766 3.240 . 0 0 "[ . 1 . 2]" 1
424 1 27 LEU MD1 1 49 GLU HA . . 3.270 2.759 2.507 2.962 . 0 0 "[ . 1 . 2]" 1
425 1 49 GLU HB2 1 54 ARG QD . . 4.750 3.205 2.663 3.491 . 0 0 "[ . 1 . 2]" 1
426 1 49 GLU HB3 1 54 ARG QD . . 4.750 4.490 3.948 4.761 0.011 15 0 "[ . 1 . 2]" 1
427 1 49 GLU HB2 1 54 ARG HA . . 4.610 3.178 2.948 3.274 . 0 0 "[ . 1 . 2]" 1
428 1 49 GLU HB3 1 54 ARG HA . . 4.610 4.568 4.439 4.621 0.011 15 0 "[ . 1 . 2]" 1
429 1 49 GLU HB2 1 50 HIS H . . 4.570 4.111 3.807 4.256 . 0 0 "[ . 1 . 2]" 1
430 1 49 GLU H 1 49 GLU HB2 . . 4.010 3.477 3.399 3.541 . 0 0 "[ . 1 . 2]" 1
431 1 49 GLU HB2 1 54 ARG HG2 . . 3.850 2.047 1.991 2.182 . 0 0 "[ . 1 . 2]" 1
432 1 49 GLU HG2 1 50 HIS H . . 4.060 3.482 2.396 3.847 . 0 0 "[ . 1 . 2]" 1
433 1 49 GLU HG2 1 53 MET H . . 4.770 4.143 3.416 4.606 . 0 0 "[ . 1 . 2]" 1
434 1 49 GLU HG3 1 53 MET H . . 4.770 3.830 3.394 4.706 . 0 0 "[ . 1 . 2]" 1
435 1 49 GLU HA 1 49 GLU HG2 . . 3.990 3.283 2.803 3.428 . 0 0 "[ . 1 . 2]" 1
436 1 49 GLU HA 1 49 GLU HG3 . . 3.990 2.958 2.828 3.732 . 0 0 "[ . 1 . 2]" 1
437 1 49 GLU HG3 1 54 ARG HA . . 4.860 3.498 3.274 4.446 . 0 0 "[ . 1 . 2]" 1
438 1 49 GLU HG2 1 54 ARG HA . . 4.860 4.546 3.668 4.804 . 0 0 "[ . 1 . 2]" 1
439 1 48 GLY HA3 1 57 ILE MD . . 3.660 1.997 1.916 2.161 . 0 0 "[ . 1 . 2]" 1
440 1 48 GLY HA3 1 49 GLU H . . 3.160 2.556 2.481 2.657 . 0 0 "[ . 1 . 2]" 1
441 1 38 HIS HB3 1 47 ARG HB2 . . 5.050 4.742 4.458 5.051 0.001 2 0 "[ . 1 . 2]" 1
442 1 47 ARG HA 1 47 ARG QG . . 3.470 2.304 2.127 2.702 . 0 0 "[ . 1 . 2]" 1
443 1 41 ALA HA 1 47 ARG QG . . 4.110 3.018 2.360 3.454 . 0 0 "[ . 1 . 2]" 1
444 1 46 TRP HA 1 47 ARG H . . 3.230 2.497 2.359 2.612 . 0 0 "[ . 1 . 2]" 1
445 1 37 LEU MD1 1 46 TRP HB3 . . 4.610 3.447 2.833 3.904 . 0 0 "[ . 1 . 2]" 1
446 1 37 LEU HB3 1 46 TRP HB3 . . 4.380 3.050 2.598 3.502 . 0 0 "[ . 1 . 2]" 1
447 1 46 TRP HB3 1 57 ILE HB . . 3.520 3.381 3.078 3.521 0.001 5 0 "[ . 1 . 2]" 1
448 1 46 TRP HB3 1 47 ARG H . . 3.560 2.241 2.028 2.545 . 0 0 "[ . 1 . 2]" 1
449 1 46 TRP H 1 46 TRP HB3 . . 3.890 3.821 3.760 3.893 0.003 9 0 "[ . 1 . 2]" 1
450 1 46 TRP HB2 1 57 ILE MG . . 3.780 2.804 2.515 3.148 . 0 0 "[ . 1 . 2]" 1
451 1 46 TRP HB2 1 46 TRP HE3 . . 4.070 3.982 3.918 4.031 . 0 0 "[ . 1 . 2]" 1
452 1 45 TRP HA 1 59 HIS H . . 3.610 2.804 2.408 3.135 . 0 0 "[ . 1 . 2]" 1
453 1 45 TRP HA 1 46 TRP H . . 2.890 2.379 2.255 2.530 . 0 0 "[ . 1 . 2]" 1
454 1 45 TRP HB3 1 45 TRP HE3 . . 3.610 2.574 2.518 2.675 . 0 0 "[ . 1 . 2]" 1
455 1 45 TRP HB3 1 46 TRP H . . 3.900 2.502 2.158 2.851 . 0 0 "[ . 1 . 2]" 1
456 1 45 TRP HB2 1 46 TRP H . . 4.340 3.783 3.491 4.052 . 0 0 "[ . 1 . 2]" 1
457 1 45 TRP HB2 1 56 LEU HB3 . . 4.760 4.471 4.111 4.757 . 0 0 "[ . 1 . 2]" 1
458 1 45 TRP HB2 1 56 LEU MD1 . . 4.890 4.470 3.882 4.832 . 0 0 "[ . 1 . 2]" 1
459 1 44 ASP HB3 1 45 TRP HD1 . . 3.910 3.826 3.554 3.913 0.003 6 0 "[ . 1 . 2]" 1
460 1 44 ASP HB3 1 45 TRP H . . 4.640 4.110 3.561 4.347 . 0 0 "[ . 1 . 2]" 1
461 1 44 ASP HB2 1 45 TRP HE1 . . 4.540 4.291 4.056 4.523 . 0 0 "[ . 1 . 2]" 1
462 1 44 ASP HB3 1 45 TRP HE1 . . 4.540 4.332 4.164 4.451 . 0 0 "[ . 1 . 2]" 1
463 1 41 ALA MB 1 45 TRP HB2 . . 3.370 2.974 2.685 3.317 . 0 0 "[ . 1 . 2]" 1
464 1 41 ALA MB 1 45 TRP HB3 . . 3.580 2.871 2.455 3.137 . 0 0 "[ . 1 . 2]" 1
465 1 40 ARG HA 1 41 ALA MB . . 4.220 3.947 3.846 4.047 . 0 0 "[ . 1 . 2]" 1
466 1 41 ALA MB 1 46 TRP HA . . 3.770 2.565 2.185 2.905 . 0 0 "[ . 1 . 2]" 1
467 1 41 ALA MB 1 45 TRP HA . . 5.000 4.485 4.018 4.724 . 0 0 "[ . 1 . 2]" 1
468 1 41 ALA MB 1 56 LEU HA . . 5.200 3.799 3.467 4.201 . 0 0 "[ . 1 . 2]" 1
469 1 41 ALA MB 1 45 TRP H . . 4.840 4.459 4.219 4.807 . 0 0 "[ . 1 . 2]" 1
470 1 41 ALA H 1 41 ALA MB . . 3.050 2.191 2.041 2.445 . 0 0 "[ . 1 . 2]" 1
471 1 41 ALA MB 1 47 ARG H . . 4.140 3.271 2.615 3.918 . 0 0 "[ . 1 . 2]" 1
472 1 40 ARG HA 1 40 ARG HG2 . . 4.020 3.772 3.661 3.887 . 0 0 "[ . 1 . 2]" 1
473 1 40 ARG HA 1 40 ARG HD3 . . 3.540 2.595 2.010 3.272 . 0 0 "[ . 1 . 2]" 1
474 1 40 ARG HA 1 40 ARG HD2 . . 3.540 3.028 2.316 3.555 0.015 8 0 "[ . 1 . 2]" 1
475 1 40 ARG HA 1 46 TRP HB3 . . 4.330 3.832 3.605 4.173 . 0 0 "[ . 1 . 2]" 1
476 1 40 ARG HA 1 46 TRP HA . . 3.260 2.706 2.247 3.213 . 0 0 "[ . 1 . 2]" 1
477 1 40 ARG HA 1 46 TRP HE3 . . 3.900 3.017 2.728 3.276 . 0 0 "[ . 1 . 2]" 1
478 1 40 ARG HA 1 41 ALA H . . 3.020 2.220 2.142 2.364 . 0 0 "[ . 1 . 2]" 1
479 1 40 ARG HA 1 47 ARG H . . 4.060 3.539 2.977 3.816 . 0 0 "[ . 1 . 2]" 1
480 1 40 ARG HA 1 40 ARG HG3 . . 4.020 2.828 2.510 3.046 . 0 0 "[ . 1 . 2]" 1
481 1 38 HIS HB2 1 39 GLU QB . . 4.120 3.667 3.532 3.997 . 0 0 "[ . 1 . 2]" 1
482 1 39 GLU H 1 39 GLU QG . . 4.480 4.164 2.826 4.428 . 0 0 "[ . 1 . 2]" 1
483 1 39 GLU QG 1 40 ARG H . . 4.520 2.234 1.851 3.564 . 0 0 "[ . 1 . 2]" 1
484 1 37 LEU HA 1 46 TRP HB2 . . 5.190 4.838 4.441 5.191 0.001 10 0 "[ . 1 . 2]" 1
485 1 37 LEU HA 1 39 GLU H . . 4.320 3.987 3.600 4.259 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU HB2 1 38 HIS H . . 4.540 4.402 4.355 4.444 . 0 0 "[ . 1 . 2]" 1
487 1 37 LEU H 1 37 LEU HB3 . . 3.950 3.650 3.626 3.781 . 0 0 "[ . 1 . 2]" 1
488 1 11 VAL H 1 37 LEU HB3 . . 5.040 4.575 3.982 5.018 . 0 0 "[ . 1 . 2]" 1
489 1 11 VAL HB 1 37 LEU HB3 . . 4.360 3.860 3.522 4.320 . 0 0 "[ . 1 . 2]" 1
490 1 37 LEU HA 1 37 LEU HG . . 4.010 3.291 3.153 3.389 . 0 0 "[ . 1 . 2]" 1
491 1 11 VAL HB 1 37 LEU HG . . 4.170 3.764 3.285 4.066 . 0 0 "[ . 1 . 2]" 1
492 1 37 LEU H 1 37 LEU MD1 . . 4.210 3.790 3.627 4.163 . 0 0 "[ . 1 . 2]" 1
493 1 37 LEU HA 1 37 LEU MD1 . . 4.070 3.867 3.803 3.922 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU MD1 1 46 TRP HB2 . . 4.700 3.871 3.263 4.381 . 0 0 "[ . 1 . 2]" 1
495 1 37 LEU H 1 37 LEU MD2 . . 4.210 3.232 3.005 3.521 . 0 0 "[ . 1 . 2]" 1
496 1 37 LEU MD2 1 46 TRP HE3 . . 4.130 3.277 2.623 3.855 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU HA 1 37 LEU MD2 . . 4.070 2.088 1.980 2.250 . 0 0 "[ . 1 . 2]" 1
498 1 37 LEU MD2 1 46 TRP HB3 . . 4.610 2.298 2.068 2.647 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU MD2 1 46 TRP HB2 . . 4.700 2.550 2.189 2.858 . 0 0 "[ . 1 . 2]" 1
500 1 36 ARG H 1 36 ARG HB3 . . 3.770 3.461 2.208 3.659 . 0 0 "[ . 1 . 2]" 1
501 1 36 ARG H 1 36 ARG HG2 . . 4.450 3.749 2.456 4.449 . 0 0 "[ . 1 . 2]" 1
502 1 36 ARG H 1 36 ARG HG3 . . 4.450 3.119 2.442 4.403 . 0 0 "[ . 1 . 2]" 1
503 1 35 LEU H 1 35 LEU HB2 . . 3.510 3.050 2.990 3.122 . 0 0 "[ . 1 . 2]" 1
504 1 35 LEU H 1 35 LEU HB3 . . 4.130 3.896 3.839 3.946 . 0 0 "[ . 1 . 2]" 1
505 1 35 LEU HB2 1 36 ARG H . . 4.110 3.781 3.095 3.961 . 0 0 "[ . 1 . 2]" 1
506 1 34 VAL HA 1 35 LEU HB2 . . 4.950 4.906 4.808 4.945 . 0 0 "[ . 1 . 2]" 1
507 1 34 VAL HA 1 35 LEU HB3 . . 5.500 5.524 5.503 5.544 0.044 14 0 "[ . 1 . 2]" 1
508 1 35 LEU H 1 35 LEU HG . . 3.500 2.552 2.398 2.736 . 0 0 "[ . 1 . 2]" 1
509 1 29 PHE HB2 1 35 LEU HG . . 4.760 4.660 4.411 4.761 0.001 19 0 "[ . 1 . 2]" 1
510 1 35 LEU HG 1 57 ILE MD . . 4.280 3.984 3.712 4.215 . 0 0 "[ . 1 . 2]" 1
511 1 35 LEU H 1 35 LEU MD2 . . 3.840 3.743 3.599 3.822 . 0 0 "[ . 1 . 2]" 1
512 1 33 ASP H 1 35 LEU MD2 . . 5.240 5.037 4.864 5.221 . 0 0 "[ . 1 . 2]" 1
513 1 35 LEU MD2 1 50 HIS HD2 . . 3.910 2.550 1.959 3.608 . 0 0 "[ . 1 . 2]" 1
514 1 29 PHE QD 1 35 LEU MD2 . . 3.630 2.349 1.926 2.536 . 0 0 "[ . 1 . 2]" 1
515 1 35 LEU HA 1 35 LEU MD2 . . 3.120 2.535 2.369 2.742 . 0 0 "[ . 1 . 2]" 1
516 1 34 VAL HA 1 35 LEU MD2 . . 4.500 4.066 3.934 4.199 . 0 0 "[ . 1 . 2]" 1
517 1 29 PHE HB2 1 35 LEU MD2 . . 3.020 2.661 2.480 2.785 . 0 0 "[ . 1 . 2]" 1
518 1 29 PHE HB3 1 35 LEU MD2 . . 3.460 2.391 2.162 2.535 . 0 0 "[ . 1 . 2]" 1
519 1 33 ASP HB3 1 35 LEU MD2 . . 3.950 2.880 2.596 3.177 . 0 0 "[ . 1 . 2]" 1
520 1 35 LEU H 1 35 LEU MD1 . . 3.910 3.735 3.589 3.894 . 0 0 "[ . 1 . 2]" 1
521 1 29 PHE QE 1 35 LEU MD1 . . 4.210 2.475 2.210 2.730 . 0 0 "[ . 1 . 2]" 1
522 1 29 PHE QD 1 35 LEU MD1 . . 3.900 2.722 2.553 2.921 . 0 0 "[ . 1 . 2]" 1
523 1 29 PHE HZ 1 35 LEU MD1 . . 4.430 3.098 2.913 3.527 . 0 0 "[ . 1 . 2]" 1
524 1 35 LEU MD1 1 57 ILE HA . . 4.550 4.315 4.105 4.537 . 0 0 "[ . 1 . 2]" 1
525 1 29 PHE HB2 1 35 LEU MD1 . . 3.950 3.734 3.493 3.950 . 0 0 "[ . 1 . 2]" 1
526 1 29 PHE HB3 1 35 LEU MD1 . . 4.040 3.701 3.405 3.930 . 0 0 "[ . 1 . 2]" 1
527 1 33 ASP HB3 1 35 LEU MD1 . . 5.250 4.889 4.464 5.252 0.002 16 0 "[ . 1 . 2]" 1
528 1 34 VAL HA 1 35 LEU H . . 2.820 2.259 2.205 2.334 . 0 0 "[ . 1 . 2]" 1
529 1 34 VAL H 1 34 VAL HB . . 3.070 2.553 2.483 2.626 . 0 0 "[ . 1 . 2]" 1
530 1 34 VAL MG2 1 35 LEU H . . 4.030 3.889 3.773 3.991 . 0 0 "[ . 1 . 2]" 1
531 1 34 VAL H 1 34 VAL MG2 . . 3.080 2.134 1.985 2.298 . 0 0 "[ . 1 . 2]" 1
532 1 34 VAL HA 1 34 VAL MG2 . . 2.970 2.376 2.277 2.484 . 0 0 "[ . 1 . 2]" 1
533 1 33 ASP HA 1 34 VAL H . . 3.400 2.143 2.139 2.146 . 0 0 "[ . 1 . 2]" 1
534 1 30 ARG H 1 33 ASP HB3 . . 4.310 3.652 3.366 3.898 . 0 0 "[ . 1 . 2]" 1
535 1 29 PHE HB2 1 33 ASP HB3 . . 3.960 2.902 2.485 3.388 . 0 0 "[ . 1 . 2]" 1
536 1 15 ALA MB 1 33 ASP HB3 . . 4.430 4.221 3.907 4.431 0.001 6 0 "[ . 1 . 2]" 1
537 1 33 ASP HB2 1 34 VAL H . . 4.470 4.423 4.369 4.470 . 0 0 "[ . 1 . 2]" 1
538 1 33 ASP H 1 33 ASP HB2 . . 3.250 2.399 2.283 2.506 . 0 0 "[ . 1 . 2]" 1
539 1 29 PHE QD 1 33 ASP HB2 . . 4.410 3.562 3.284 3.808 . 0 0 "[ . 1 . 2]" 1
540 1 33 ASP HB2 1 35 LEU MD2 . . 4.250 3.262 3.103 3.457 . 0 0 "[ . 1 . 2]" 1
541 1 14 VAL MG1 1 32 GLY HA3 . . 3.960 3.822 3.451 3.966 0.006 13 0 "[ . 1 . 2]" 1
542 1 14 VAL MG1 1 32 GLY HA2 . . 3.310 2.422 2.057 2.591 . 0 0 "[ . 1 . 2]" 1
543 1 15 ALA MB 1 32 GLY HA2 . . 4.390 4.071 3.641 4.372 . 0 0 "[ . 1 . 2]" 1
544 1 31 ARG HA 1 32 GLY H . . 2.730 2.158 2.147 2.192 . 0 0 "[ . 1 . 2]" 1
545 1 31 ARG HA 1 33 ASP H . . 3.800 3.678 3.377 3.799 . 0 0 "[ . 1 . 2]" 1
546 1 31 ARG HB2 1 32 GLY H . . 4.430 4.216 4.040 4.418 . 0 0 "[ . 1 . 2]" 1
547 1 31 ARG HB3 1 32 GLY H . . 4.430 4.210 4.063 4.297 . 0 0 "[ . 1 . 2]" 1
548 1 30 ARG H 1 30 ARG HB2 . . 3.880 2.437 2.299 2.822 . 0 0 "[ . 1 . 2]" 1
549 1 30 ARG H 1 30 ARG QD . . 4.600 4.045 2.491 4.596 . 0 0 "[ . 1 . 2]" 1
550 1 30 ARG HA 1 30 ARG QD . . 4.140 3.397 2.007 4.139 . 0 0 "[ . 1 . 2]" 1
551 1 29 PHE HB2 1 33 ASP H . . 4.440 4.340 4.170 4.428 . 0 0 "[ . 1 . 2]" 1
552 1 29 PHE HB2 1 30 ARG H . . 3.300 2.529 2.285 2.742 . 0 0 "[ . 1 . 2]" 1
553 1 29 PHE HB3 1 30 ARG H . . 3.850 3.670 3.502 3.791 . 0 0 "[ . 1 . 2]" 1
554 1 15 ALA MB 1 29 PHE HB3 . . 4.710 4.505 4.318 4.675 . 0 0 "[ . 1 . 2]" 1
555 1 21 GLY H 1 28 SER HB2 . . 4.330 3.181 1.974 4.139 . 0 0 "[ . 1 . 2]" 1
556 1 28 SER H 1 28 SER HB2 . . 3.930 3.417 2.698 3.930 . 0 0 "[ . 1 . 2]" 1
557 1 20 THR MG 1 28 SER HB2 . . 4.650 3.767 3.113 4.635 . 0 0 "[ . 1 . 2]" 1
558 1 21 GLY H 1 28 SER HB3 . . 4.330 2.951 1.931 4.217 . 0 0 "[ . 1 . 2]" 1
559 1 28 SER H 1 28 SER HB3 . . 3.930 3.241 2.776 3.879 . 0 0 "[ . 1 . 2]" 1
560 1 20 THR MG 1 28 SER HB3 . . 4.650 3.775 3.107 4.631 . 0 0 "[ . 1 . 2]" 1
561 1 27 LEU HA 1 28 SER H . . 3.470 2.500 2.386 2.595 . 0 0 "[ . 1 . 2]" 1
562 1 27 LEU HB2 1 29 PHE QD . . 4.040 3.646 3.366 3.913 . 0 0 "[ . 1 . 2]" 1
563 1 27 LEU H 1 27 LEU HB3 . . 3.860 3.614 3.537 3.661 . 0 0 "[ . 1 . 2]" 1
564 1 27 LEU HB3 1 29 PHE QD . . 4.040 3.203 3.002 3.344 . 0 0 "[ . 1 . 2]" 1
565 1 27 LEU HG 1 56 LEU H . . 4.260 3.337 3.130 3.577 . 0 0 "[ . 1 . 2]" 1
566 1 27 LEU MD1 1 49 GLU H . . 4.110 3.969 3.789 4.112 0.002 10 0 "[ . 1 . 2]" 1
567 1 27 LEU MD1 1 50 HIS H . . 3.480 2.541 2.243 3.147 . 0 0 "[ . 1 . 2]" 1
568 1 27 LEU MD1 1 29 PHE QD . . 4.350 3.923 3.640 4.218 . 0 0 "[ . 1 . 2]" 1
569 1 27 LEU MD1 1 54 ARG HA . . 3.790 2.905 2.621 3.132 . 0 0 "[ . 1 . 2]" 1
570 1 27 LEU MD1 1 55 GLY HA2 . . 4.240 3.830 3.678 4.010 . 0 0 "[ . 1 . 2]" 1
571 1 27 LEU MD1 1 50 HIS HB2 . . 3.090 2.670 2.233 3.090 0.000 7 0 "[ . 1 . 2]" 1
572 1 27 LEU MD2 1 50 HIS H . . 3.830 2.669 2.292 3.050 . 0 0 "[ . 1 . 2]" 1
573 1 27 LEU H 1 27 LEU MD2 . . 4.250 4.048 3.913 4.148 . 0 0 "[ . 1 . 2]" 1
574 1 27 LEU MD2 1 55 GLY H . . 4.020 2.929 2.684 3.194 . 0 0 "[ . 1 . 2]" 1
575 1 27 LEU MD2 1 29 PHE QD . . 4.900 4.732 4.467 4.902 0.002 2 0 "[ . 1 . 2]" 1
576 1 27 LEU MD2 1 49 GLU HA . . 4.120 3.499 3.043 3.823 . 0 0 "[ . 1 . 2]" 1
577 1 27 LEU MD2 1 54 ARG HA . . 3.990 2.680 2.176 3.024 . 0 0 "[ . 1 . 2]" 1
578 1 27 LEU MD2 1 55 GLY HA2 . . 4.090 4.055 3.910 4.092 0.002 18 0 "[ . 1 . 2]" 1
579 1 27 LEU MD2 1 55 GLY HA3 . . 3.530 2.934 2.695 3.034 . 0 0 "[ . 1 . 2]" 1
580 1 27 LEU MD2 1 50 HIS HB2 . . 3.580 2.520 2.114 3.041 . 0 0 "[ . 1 . 2]" 1
581 1 27 LEU MD2 1 53 MET HG3 . . 4.360 4.047 3.416 4.360 . 5 0 "[ . 1 . 2]" 1
582 1 26 GLU HB3 1 45 TRP HH2 . . 5.020 4.195 3.494 4.667 . 0 0 "[ . 1 . 2]" 1
583 1 22 ARG H 1 26 GLU HB3 . . 4.090 3.204 3.029 3.341 . 0 0 "[ . 1 . 2]" 1
584 1 19 TYR QE 1 26 GLU HB2 . . 4.110 3.936 3.584 4.106 . 0 0 "[ . 1 . 2]" 1
585 1 22 ARG H 1 26 GLU HB2 . . 4.070 2.550 2.431 2.648 . 0 0 "[ . 1 . 2]" 1
586 1 26 GLU H 1 26 GLU HG2 . . 3.990 3.813 3.506 3.994 0.004 13 0 "[ . 1 . 2]" 1
587 1 26 GLU HG2 1 56 LEU MD1 . . 4.330 4.014 3.142 4.331 0.001 5 0 "[ . 1 . 2]" 1
588 1 26 GLU HG3 1 56 LEU MD1 . . 4.330 3.289 2.504 4.225 . 0 0 "[ . 1 . 2]" 1
589 1 26 GLU H 1 26 GLU HG3 . . 3.990 3.093 2.407 3.858 . 0 0 "[ . 1 . 2]" 1
590 1 26 GLU HG3 1 45 TRP HH2 . . 4.790 3.993 2.770 4.782 . 0 0 "[ . 1 . 2]" 1
591 1 25 GLN HA 1 56 LEU MD1 . . 4.530 4.116 3.625 4.539 0.009 13 0 "[ . 1 . 2]" 1
592 1 24 ALA MB 1 25 GLN HA . . 4.460 3.750 3.653 3.851 . 0 0 "[ . 1 . 2]" 1
593 1 25 GLN HB2 1 56 LEU MD1 . . 4.260 3.491 2.247 4.248 . 0 0 "[ . 1 . 2]" 1
594 1 25 GLN HB3 1 56 LEU MD1 . . 4.260 2.777 2.059 4.189 . 0 0 "[ . 1 . 2]" 1
595 1 25 GLN HG2 1 56 LEU MD1 . . 4.770 4.008 1.892 4.770 . 0 0 "[ . 1 . 2]" 1
596 1 25 GLN HG3 1 56 LEU MD1 . . 4.770 3.794 2.303 4.764 . 0 0 "[ . 1 . 2]" 1
597 1 25 GLN HA 1 25 GLN HG2 . . 3.790 2.959 2.264 3.785 . 0 0 "[ . 1 . 2]" 1
598 1 25 GLN HA 1 25 GLN HG3 . . 3.790 3.242 2.207 3.784 . 0 0 "[ . 1 . 2]" 1
599 1 25 GLN H 1 25 GLN HG2 . . 4.410 3.195 2.268 4.385 . 0 0 "[ . 1 . 2]" 1
600 1 24 ALA HA 1 26 GLU H . . 4.470 4.345 4.085 4.470 . 0 0 "[ . 1 . 2]" 1
601 1 22 ARG HA 1 22 ARG HG2 . . 3.770 2.678 2.158 3.608 . 0 0 "[ . 1 . 2]" 1
602 1 22 ARG H 1 22 ARG HG3 . . 4.140 3.348 2.275 3.902 . 0 0 "[ . 1 . 2]" 1
603 1 22 ARG HA 1 22 ARG HG3 . . 3.770 3.250 2.282 3.752 . 0 0 "[ . 1 . 2]" 1
604 1 21 GLY HA2 1 26 GLU HB2 . . 3.470 2.687 2.424 2.972 . 0 0 "[ . 1 . 2]" 1
605 1 21 GLY HA2 1 26 GLU HB3 . . 3.780 2.318 2.121 2.538 . 0 0 "[ . 1 . 2]" 1
606 1 19 TYR QE 1 21 GLY HA2 . . 3.700 2.047 2.000 2.125 . 0 0 "[ . 1 . 2]" 1
607 1 21 GLY HA3 1 26 GLU HB2 . . 3.470 2.746 2.386 2.961 . 0 0 "[ . 1 . 2]" 1
608 1 21 GLY HA3 1 26 GLU HB3 . . 3.780 2.870 2.468 3.214 . 0 0 "[ . 1 . 2]" 1
609 1 19 TYR QE 1 21 GLY HA3 . . 3.700 3.604 3.335 3.700 0.000 20 0 "[ . 1 . 2]" 1
610 1 21 GLY HA3 1 22 ARG H . . 3.410 3.143 2.936 3.220 . 0 0 "[ . 1 . 2]" 1
611 1 20 THR HA 1 28 SER HA . . 3.680 2.997 2.613 3.436 . 0 0 "[ . 1 . 2]" 1
612 1 20 THR HA 1 20 THR MG . . 3.010 2.413 2.318 2.482 . 0 0 "[ . 1 . 2]" 1
613 1 20 THR H 1 20 THR HB . . 3.090 2.720 2.664 2.818 . 0 0 "[ . 1 . 2]" 1
614 1 20 THR MG 1 21 GLY H . . 3.550 3.260 2.921 3.485 . 0 0 "[ . 1 . 2]" 1
615 1 20 THR H 1 20 THR MG . . 4.020 3.875 3.851 3.919 . 0 0 "[ . 1 . 2]" 1
616 1 19 TYR HA 1 20 THR HB . . 4.510 4.508 4.462 4.517 0.007 14 0 "[ . 1 . 2]" 1
617 1 19 TYR HA 1 19 TYR QD . . 3.290 2.878 2.719 2.999 . 0 0 "[ . 1 . 2]" 1
618 1 19 TYR HA 1 20 THR H . . 2.890 2.308 2.272 2.364 . 0 0 "[ . 1 . 2]" 1
619 1 19 TYR HB2 1 29 PHE QE . . 4.120 3.281 2.785 3.769 . 0 0 "[ . 1 . 2]" 1
620 1 19 TYR HB3 1 29 PHE QE . . 4.140 3.315 2.739 3.694 . 0 0 "[ . 1 . 2]" 1
621 1 18 ALA HA 1 19 TYR H . . 2.900 2.155 2.141 2.184 . 0 0 "[ . 1 . 2]" 1
622 1 18 ALA HA 1 29 PHE QD . . 4.180 3.525 3.179 3.858 . 0 0 "[ . 1 . 2]" 1
623 1 18 ALA MB 1 19 TYR H . . 3.280 3.127 2.945 3.250 . 0 0 "[ . 1 . 2]" 1
624 1 18 ALA MB 1 30 ARG HA . . 3.020 2.325 2.084 2.749 . 0 0 "[ . 1 . 2]" 1
625 1 18 ALA H 1 18 ALA MB . . 2.840 2.157 2.050 2.282 . 0 0 "[ . 1 . 2]" 1
626 1 18 ALA MB 1 31 ARG H . . 3.090 2.306 1.971 2.664 . 0 0 "[ . 1 . 2]" 1
627 1 17 PHE HB3 1 18 ALA MB . . 4.290 4.182 3.913 4.287 . 0 0 "[ . 1 . 2]" 1
628 1 17 PHE HB3 1 18 ALA H . . 3.390 2.599 2.199 2.915 . 0 0 "[ . 1 . 2]" 1
629 1 17 PHE HB2 1 61 TYR HB3 . . 4.220 3.315 3.014 3.653 . 0 0 "[ . 1 . 2]" 1
630 1 16 CYS HA 1 31 ARG QG . . 3.770 3.323 2.897 3.771 0.001 19 0 "[ . 1 . 2]" 1
631 1 16 CYS H 1 16 CYS HB2 . . 3.820 2.626 2.197 3.589 . 0 0 "[ . 1 . 2]" 1
632 1 16 CYS HB2 1 17 PHE H . . 4.300 3.626 2.684 3.940 . 0 0 "[ . 1 . 2]" 1
633 1 16 CYS H 1 16 CYS HB3 . . 3.820 2.826 2.479 3.520 . 0 0 "[ . 1 . 2]" 1
634 1 16 CYS HB3 1 17 PHE H . . 4.300 3.070 2.267 4.203 . 0 0 "[ . 1 . 2]" 1
635 1 15 ALA HA 1 62 ILE MG . . 4.190 2.370 1.983 2.848 . 0 0 "[ . 1 . 2]" 1
636 1 15 ALA MB 1 16 CYS H . . 3.540 3.403 3.043 3.539 . 0 0 "[ . 1 . 2]" 1
637 1 15 ALA H 1 15 ALA MB . . 2.800 2.178 2.058 2.307 . 0 0 "[ . 1 . 2]" 1
638 1 15 ALA MB 1 33 ASP H . . 3.130 2.940 2.312 3.129 . 0 0 "[ . 1 . 2]" 1
639 1 15 ALA MB 1 29 PHE QE . . 3.340 2.241 1.978 2.677 . 0 0 "[ . 1 . 2]" 1
640 1 15 ALA MB 1 29 PHE QD . . 2.960 2.209 1.889 2.801 . 0 0 "[ . 1 . 2]" 1
641 1 15 ALA MB 1 62 ILE HA . . 4.430 4.126 3.888 4.396 . 0 0 "[ . 1 . 2]" 1
642 1 15 ALA MB 1 31 ARG HA . . 3.210 2.314 1.977 2.694 . 0 0 "[ . 1 . 2]" 1
643 1 15 ALA MB 1 29 PHE HB2 . . 4.110 3.383 3.147 3.581 . 0 0 "[ . 1 . 2]" 1
644 1 15 ALA MB 1 33 ASP HB2 . . 3.480 3.075 2.807 3.270 . 0 0 "[ . 1 . 2]" 1
645 1 15 ALA MB 1 62 ILE MG . . 3.780 3.151 2.746 3.598 . 0 0 "[ . 1 . 2]" 1
646 1 15 ALA MB 1 35 LEU MD2 . . 3.760 3.480 3.082 3.743 . 0 0 "[ . 1 . 2]" 1
647 1 15 ALA MB 1 35 LEU MD1 . . 3.350 2.777 2.522 3.000 . 0 0 "[ . 1 . 2]" 1
648 1 14 VAL HB 1 34 VAL HA . . 5.500 5.417 5.273 5.500 0.000 17 0 "[ . 1 . 2]" 1
649 1 14 VAL H 1 14 VAL HB . . 3.210 2.562 2.515 2.619 . 0 0 "[ . 1 . 2]" 1
650 1 14 VAL HB 1 15 ALA H . . 4.160 4.015 3.824 4.140 . 0 0 "[ . 1 . 2]" 1
651 1 14 VAL H 1 14 VAL MG2 . . 3.280 2.696 2.552 2.839 . 0 0 "[ . 1 . 2]" 1
652 1 14 VAL MG2 1 32 GLY HA2 . . 4.810 4.392 4.027 4.743 . 0 0 "[ . 1 . 2]" 1
653 1 13 ALA MB 1 37 LEU MD1 . . 3.420 2.119 1.923 2.409 . 0 0 "[ . 1 . 2]" 1
654 1 13 ALA MB 1 37 LEU MD2 . . 3.420 2.569 2.159 3.055 . 0 0 "[ . 1 . 2]" 1
655 1 13 ALA MB 1 62 ILE MD . . 3.120 2.525 2.112 3.026 . 0 0 "[ . 1 . 2]" 1
656 1 13 ALA MB 1 62 ILE MG . . 3.450 3.229 2.786 3.447 . 0 0 "[ . 1 . 2]" 1
657 1 13 ALA MB 1 65 PRO HD2 . . 4.230 3.980 3.478 4.227 . 0 0 "[ . 1 . 2]" 1
658 1 13 ALA MB 1 64 LEU HA . . 3.550 2.685 2.242 2.928 . 0 0 "[ . 1 . 2]" 1
659 1 13 ALA MB 1 14 VAL H . . 3.140 2.645 2.461 2.909 . 0 0 "[ . 1 . 2]" 1
660 1 13 ALA H 1 13 ALA MB . . 3.120 2.418 2.316 2.575 . 0 0 "[ . 1 . 2]" 1
661 1 12 GLU H 1 12 GLU HB3 . . 3.820 3.549 3.513 3.641 . 0 0 "[ . 1 . 2]" 1
662 1 12 GLU HB3 1 13 ALA HA . . 4.960 4.407 4.231 4.509 . 0 0 "[ . 1 . 2]" 1
663 1 12 GLU HB3 1 36 ARG HA . . 5.390 4.780 4.068 5.389 . 0 0 "[ . 1 . 2]" 1
664 1 12 GLU HB3 1 34 VAL MG1 . . 3.380 2.459 1.990 3.091 . 0 0 "[ . 1 . 2]" 1
665 1 12 GLU HB2 1 13 ALA H . . 4.590 4.372 4.227 4.471 . 0 0 "[ . 1 . 2]" 1
666 1 12 GLU HG2 1 13 ALA H . . 4.410 4.112 3.809 4.316 . 0 0 "[ . 1 . 2]" 1
667 1 12 GLU H 1 12 GLU HG2 . . 4.660 4.280 4.106 4.499 . 0 0 "[ . 1 . 2]" 1
668 1 12 GLU HA 1 12 GLU HG2 . . 3.580 2.683 2.558 2.788 . 0 0 "[ . 1 . 2]" 1
669 1 12 GLU HG2 1 34 VAL MG1 . . 3.700 2.610 2.343 3.047 . 0 0 "[ . 1 . 2]" 1
670 1 12 GLU HG3 1 13 ALA H . . 4.700 4.586 4.419 4.695 . 0 0 "[ . 1 . 2]" 1
671 1 12 GLU H 1 12 GLU HG3 . . 3.730 3.122 2.878 3.434 . 0 0 "[ . 1 . 2]" 1
672 1 12 GLU HA 1 12 GLU HG3 . . 3.780 2.553 2.420 2.669 . 0 0 "[ . 1 . 2]" 1
673 1 11 VAL HA 1 12 GLU HG3 . . 4.640 4.414 4.160 4.639 . 0 0 "[ . 1 . 2]" 1
674 1 12 GLU HG3 1 34 VAL MG1 . . 4.420 3.982 3.684 4.378 . 0 0 "[ . 1 . 2]" 1
675 1 11 VAL HA 1 12 GLU H . . 2.660 2.174 2.141 2.303 . 0 0 "[ . 1 . 2]" 1
676 1 11 VAL HA 1 11 VAL MG2 . . 3.070 2.371 2.284 2.473 . 0 0 "[ . 1 . 2]" 1
677 1 11 VAL HA 1 11 VAL MG1 . . 3.090 2.384 2.259 2.474 . 0 0 "[ . 1 . 2]" 1
678 1 11 VAL HB 1 37 LEU HB2 . . 3.330 2.360 2.001 2.699 . 0 0 "[ . 1 . 2]" 1
679 1 10 VAL HA 1 11 VAL HB . . 4.630 4.591 4.511 4.630 . 0 0 "[ . 1 . 2]" 1
680 1 11 VAL HB 1 12 GLU H . . 4.580 4.176 3.852 4.413 . 0 0 "[ . 1 . 2]" 1
681 1 11 VAL H 1 11 VAL MG2 . . 3.390 2.719 2.589 2.872 . 0 0 "[ . 1 . 2]" 1
682 1 10 VAL HA 1 11 VAL H . . 2.750 2.204 2.160 2.264 . 0 0 "[ . 1 . 2]" 1
683 1 10 VAL HB 1 11 VAL H . . 4.140 4.014 3.856 4.127 . 0 0 "[ . 1 . 2]" 1
684 1 58 PRO HG3 1 61 TYR QE . . 5.440 5.249 5.010 5.374 . 0 0 "[ . 1 . 2]" 1
685 1 58 PRO HB2 1 61 TYR QE . . 4.480 4.321 3.837 4.490 0.010 18 0 "[ . 1 . 2]" 1
686 1 19 TYR HB2 1 61 TYR QE . . 4.320 4.148 3.778 4.323 0.003 16 0 "[ . 1 . 2]" 1
687 1 17 PHE HB3 1 61 TYR QE . . 4.400 3.849 3.316 4.400 0.000 7 0 "[ . 1 . 2]" 1
688 1 19 TYR HA 1 61 TYR QE . . 4.410 3.917 3.475 4.325 . 0 0 "[ . 1 . 2]" 1
689 1 58 PRO HG3 1 61 TYR QD . . 4.020 4.009 3.917 4.031 0.011 20 0 "[ . 1 . 2]" 1
690 1 58 PRO HG2 1 61 TYR QD . . 4.130 3.874 3.659 4.058 . 0 0 "[ . 1 . 2]" 1
691 1 58 PRO HB2 1 61 TYR QD . . 3.380 2.448 2.150 2.637 . 0 0 "[ . 1 . 2]" 1
692 1 60 LYS HB3 1 61 TYR QD . . 4.170 2.414 1.998 4.180 0.010 18 0 "[ . 1 . 2]" 1
693 1 19 TYR HB2 1 61 TYR QD . . 3.930 2.782 2.550 2.964 . 0 0 "[ . 1 . 2]" 1
694 1 17 PHE HB2 1 61 TYR QD . . 3.220 2.339 1.998 2.726 . 0 0 "[ . 1 . 2]" 1
695 1 17 PHE HB3 1 61 TYR QD . . 3.850 3.343 2.907 3.828 . 0 0 "[ . 1 . 2]" 1
696 1 61 TYR H 1 61 TYR QD . . 3.470 2.189 2.009 2.751 . 0 0 "[ . 1 . 2]" 1
697 1 60 LYS H 1 61 TYR QD . . 4.350 3.337 3.121 3.686 . 0 0 "[ . 1 . 2]" 1
698 1 17 PHE QD 1 61 TYR HB3 . . 4.600 4.215 3.950 4.604 0.004 13 0 "[ . 1 . 2]" 1
699 1 17 PHE H 1 17 PHE QD . . 4.280 3.406 2.836 3.814 . 0 0 "[ . 1 . 2]" 1
700 1 17 PHE QD 1 18 ALA H . . 4.380 3.780 3.122 4.104 . 0 0 "[ . 1 . 2]" 1
701 1 38 HIS H 1 38 HIS HB2 . . 3.720 2.558 2.401 2.717 . 0 0 "[ . 1 . 2]" 1
702 1 38 HIS HB2 1 47 ARG HB2 . . 4.690 3.305 2.934 3.916 . 0 0 "[ . 1 . 2]" 1
703 1 38 HIS HB3 1 39 GLU QB . . 3.900 3.602 3.354 3.844 . 0 0 "[ . 1 . 2]" 1
704 1 38 HIS HB3 1 39 GLU H . . 3.590 3.391 3.155 3.592 0.002 20 0 "[ . 1 . 2]" 1
705 1 38 HIS H 1 38 HIS HB3 . . 3.770 3.589 3.580 3.599 . 0 0 "[ . 1 . 2]" 1
706 1 38 HIS HA 1 38 HIS HD2 . . 3.910 2.895 2.786 3.025 . 0 0 "[ . 1 . 2]" 1
707 1 38 HIS HD2 1 48 GLY H . . 5.500 5.382 5.189 5.502 0.002 2 0 "[ . 1 . 2]" 1
708 1 38 HIS H 1 38 HIS HD2 . . 4.510 2.041 1.900 2.330 . 0 0 "[ . 1 . 2]" 1
709 1 33 ASP HB3 1 50 HIS HD2 . . 4.760 4.325 3.962 4.761 0.001 18 0 "[ . 1 . 2]" 1
710 1 50 HIS HB3 1 50 HIS HD2 . . 3.970 3.788 2.978 3.921 . 0 0 "[ . 1 . 2]" 1
711 1 46 TRP HD1 1 62 ILE MD . . 4.010 3.470 2.914 4.006 . 0 0 "[ . 1 . 2]" 1
712 1 46 TRP HD1 1 57 ILE MG . . 3.960 3.663 3.138 3.964 0.004 13 0 "[ . 1 . 2]" 1
713 1 46 TRP HD1 1 62 ILE QG . . 4.280 4.086 3.620 4.291 0.011 20 0 "[ . 1 . 2]" 1
714 1 46 TRP HD1 1 57 ILE HB . . 4.690 4.375 4.055 4.655 . 0 0 "[ . 1 . 2]" 1
715 1 46 TRP HD1 1 59 HIS HB2 . . 3.510 2.108 2.000 2.363 . 0 0 "[ . 1 . 2]" 1
716 1 46 TRP HB2 1 46 TRP HD1 . . 3.520 2.807 2.756 2.872 . 0 0 "[ . 1 . 2]" 1
717 1 46 TRP HD1 1 59 HIS HA . . 3.430 3.033 2.744 3.313 . 0 0 "[ . 1 . 2]" 1
718 1 45 TRP HA 1 46 TRP HD1 . . 4.240 2.937 2.767 3.083 . 0 0 "[ . 1 . 2]" 1
719 1 45 TRP H 1 46 TRP HD1 . . 4.590 4.223 3.787 4.591 0.001 10 0 "[ . 1 . 2]" 1
720 1 46 TRP H 1 46 TRP HD1 . . 3.670 3.083 2.935 3.323 . 0 0 "[ . 1 . 2]" 1
721 1 44 ASP HB2 1 45 TRP HD1 . . 3.910 3.239 2.893 3.441 . 0 0 "[ . 1 . 2]" 1
722 1 45 TRP HB2 1 45 TRP HD1 . . 3.480 2.668 2.609 2.708 . 0 0 "[ . 1 . 2]" 1
723 1 45 TRP HH2 1 58 PRO HB3 . . 4.270 3.655 3.377 3.870 . 0 0 "[ . 1 . 2]" 1
724 1 26 GLU HG2 1 45 TRP HH2 . . 4.790 3.115 2.607 3.570 . 0 0 "[ . 1 . 2]" 1
725 1 45 TRP HH2 1 58 PRO HD3 . . 4.610 4.283 4.055 4.494 . 0 0 "[ . 1 . 2]" 1
726 1 45 TRP HZ3 1 58 PRO HG3 . . 4.370 4.256 4.084 4.373 0.003 12 0 "[ . 1 . 2]" 1
727 1 45 TRP HZ3 1 56 LEU HB2 . . 4.390 3.520 3.265 3.786 . 0 0 "[ . 1 . 2]" 1
728 1 45 TRP HZ3 1 56 LEU HB3 . . 4.090 3.948 3.726 4.084 . 0 0 "[ . 1 . 2]" 1
729 1 45 TRP HB3 1 45 TRP HZ3 . . 5.070 4.957 4.913 5.038 . 0 0 "[ . 1 . 2]" 1
730 1 45 TRP HZ3 1 58 PRO HD2 . . 4.330 4.262 4.096 4.331 0.001 6 0 "[ . 1 . 2]" 1
731 1 45 TRP HZ3 1 57 ILE HA . . 4.410 3.595 3.340 3.798 . 0 0 "[ . 1 . 2]" 1
732 1 45 TRP HA 1 45 TRP HZ3 . . 5.440 5.271 5.022 5.433 . 0 0 "[ . 1 . 2]" 1
733 1 46 TRP HZ2 1 62 ILE MD . . 4.900 4.488 4.030 4.816 . 0 0 "[ . 1 . 2]" 1
734 1 46 TRP HZ2 1 64 LEU MD1 . . 3.880 2.184 1.921 2.530 . 0 0 "[ . 1 . 2]" 1
735 1 40 ARG HD3 1 46 TRP HZ2 . . 4.350 3.453 2.950 4.014 . 0 0 "[ . 1 . 2]" 1
736 1 46 TRP HZ2 1 64 LEU HG . . 4.540 4.361 4.017 4.543 0.003 20 0 "[ . 1 . 2]" 1
737 1 40 ARG HD2 1 46 TRP HZ2 . . 4.350 3.955 3.015 4.342 . 0 0 "[ . 1 . 2]" 1
738 1 46 TRP HH2 1 64 LEU MD2 . . 4.190 3.384 2.070 3.850 . 0 0 "[ . 1 . 2]" 1
739 1 46 TRP HH2 1 64 LEU MD1 . . 4.190 2.865 2.356 3.454 . 0 0 "[ . 1 . 2]" 1
740 1 46 TRP HZ3 1 64 LEU MD1 . . 4.810 4.410 3.730 4.795 . 0 0 "[ . 1 . 2]" 1
741 1 37 LEU HB3 1 46 TRP HZ3 . . 4.300 3.573 2.988 3.961 . 0 0 "[ . 1 . 2]" 1
742 1 37 LEU HB2 1 46 TRP HZ3 . . 4.260 4.013 3.580 4.261 0.001 6 0 "[ . 1 . 2]" 1
743 1 46 TRP HB3 1 46 TRP HZ3 . . 4.870 4.854 4.832 4.879 0.009 18 0 "[ . 1 . 2]" 1
744 1 19 TYR QE 1 26 GLU HB3 . . 3.680 2.781 2.272 3.108 . 0 0 "[ . 1 . 2]" 1
745 1 59 HIS HB3 1 59 HIS HD2 . . 3.440 2.894 2.732 3.059 . 0 0 "[ . 1 . 2]" 1
746 1 59 HIS HD2 1 60 LYS H . . 4.540 4.245 3.881 4.541 0.001 11 0 "[ . 1 . 2]" 1
747 1 37 LEU MD1 1 46 TRP HE3 . . 4.130 2.800 2.406 3.157 . 0 0 "[ . 1 . 2]" 1
748 1 37 LEU HB3 1 46 TRP HE3 . . 3.510 2.188 2.006 2.365 . 0 0 "[ . 1 . 2]" 1
749 1 37 LEU HB2 1 46 TRP HE3 . . 3.910 3.621 3.331 3.915 0.005 13 0 "[ . 1 . 2]" 1
750 1 46 TRP HB3 1 46 TRP HE3 . . 3.320 2.442 2.413 2.474 . 0 0 "[ . 1 . 2]" 1
751 1 37 LEU HA 1 46 TRP HE3 . . 4.530 4.187 3.834 4.401 . 0 0 "[ . 1 . 2]" 1
752 1 46 TRP HA 1 46 TRP HE3 . . 3.950 3.676 3.534 3.857 . 0 0 "[ . 1 . 2]" 1
753 1 46 TRP HE3 1 47 ARG H . . 4.160 3.384 3.155 3.567 . 0 0 "[ . 1 . 2]" 1
754 1 45 TRP HE3 1 56 LEU HB2 . . 3.880 3.143 2.915 3.403 . 0 0 "[ . 1 . 2]" 1
755 1 45 TRP HE3 1 56 LEU HB3 . . 3.430 2.362 2.187 2.509 . 0 0 "[ . 1 . 2]" 1
756 1 45 TRP HE3 1 58 PRO HD3 . . 4.200 3.898 3.713 4.041 . 0 0 "[ . 1 . 2]" 1
757 1 45 TRP HA 1 45 TRP HE3 . . 3.730 3.213 2.952 3.390 . 0 0 "[ . 1 . 2]" 1
758 1 45 TRP HE3 1 57 ILE H . . 4.060 2.555 2.388 2.767 . 0 0 "[ . 1 . 2]" 1
759 1 29 PHE QE 1 61 TYR HB2 . . 4.380 3.611 3.327 4.021 . 0 0 "[ . 1 . 2]" 1
760 1 29 PHE QE 1 57 ILE HA . . 4.530 3.143 3.003 3.362 . 0 0 "[ . 1 . 2]" 1
761 1 29 PHE HZ 1 62 ILE MG . . 3.780 2.818 2.253 3.371 . 0 0 "[ . 1 . 2]" 1
762 1 19 TYR HB3 1 29 PHE HZ . . 3.930 3.596 3.245 3.906 . 0 0 "[ . 1 . 2]" 1
763 1 15 ALA MB 1 29 PHE HZ . . 4.360 3.960 3.711 4.237 . 0 0 "[ . 1 . 2]" 1
764 1 19 TYR HB2 1 29 PHE HZ . . 4.110 3.903 3.594 4.114 0.004 13 0 "[ . 1 . 2]" 1
765 1 29 PHE HZ 1 61 TYR HB2 . . 3.520 3.340 3.093 3.516 . 0 0 "[ . 1 . 2]" 1
766 1 29 PHE HZ 1 58 PRO HD3 . . 3.980 3.519 3.236 3.856 . 0 0 "[ . 1 . 2]" 1
767 1 29 PHE HZ 1 57 ILE HA . . 4.320 4.139 3.963 4.298 . 0 0 "[ . 1 . 2]" 1
768 1 22 ARG QB 1 23 THR MG . . 3.330 2.581 2.382 2.870 . 0 0 "[ . 1 . 2]" 1
769 1 22 ARG H 1 23 THR MG . . 4.570 4.484 4.321 4.567 . 0 0 "[ . 1 . 2]" 1
770 1 23 THR HB 1 24 ALA MB . . 4.540 3.674 3.537 3.835 . 0 0 "[ . 1 . 2]" 1
771 1 23 THR HB 1 25 GLN H . . 4.360 3.173 2.885 3.436 . 0 0 "[ . 1 . 2]" 1
772 1 23 THR HA 1 23 THR MG . . 3.690 2.373 2.266 2.463 . 0 0 "[ . 1 . 2]" 1
773 1 46 TRP HE1 1 59 HIS HE1 . . 4.020 3.585 3.215 3.859 . 0 0 "[ . 1 . 2]" 1
774 1 46 TRP HZ2 1 59 HIS HE1 . . 3.720 3.153 2.753 3.571 . 0 0 "[ . 1 . 2]" 1
775 1 59 HIS HE1 1 64 LEU HG . . 4.530 3.727 3.198 4.531 0.001 12 0 "[ . 1 . 2]" 1
776 1 59 HIS HE1 1 64 LEU MD1 . . 4.550 2.100 1.825 2.600 . 0 0 "[ . 1 . 2]" 1
777 1 59 HIS HE1 1 64 LEU MD2 . . 4.550 4.348 3.638 4.550 . 0 0 "[ . 1 . 2]" 1
778 1 59 HIS HE1 1 62 ILE MD . . 4.790 4.151 3.393 4.587 . 0 0 "[ . 1 . 2]" 1
779 1 33 ASP HB3 1 50 HIS HE1 . . 4.460 3.871 2.140 4.461 0.001 17 0 "[ . 1 . 2]" 1
780 1 29 PHE HB2 1 50 HIS HE1 . . 4.820 3.507 3.156 3.943 . 0 0 "[ . 1 . 2]" 1
781 1 29 PHE QD 1 50 HIS HE1 . . 4.870 4.544 4.172 4.869 . 0 0 "[ . 1 . 2]" 1
782 1 14 VAL H 1 65 PRO HD3 . . 5.220 4.699 4.163 5.158 . 0 0 "[ . 1 . 2]" 1
783 1 64 LEU H 1 64 LEU HB3 . . 3.790 3.577 3.542 3.603 . 0 0 "[ . 1 . 2]" 1
784 1 46 TRP HZ3 1 64 LEU MD2 . . 4.810 3.994 3.405 4.441 . 0 0 "[ . 1 . 2]" 1
785 1 16 CYS H 1 62 ILE HB . . 4.710 4.473 4.245 4.712 0.002 2 0 "[ . 1 . 2]" 1
786 1 29 PHE QE 1 62 ILE MG . . 4.140 3.170 2.514 3.639 . 0 0 "[ . 1 . 2]" 1
787 1 59 HIS HA 1 62 ILE MG . . 4.420 3.735 3.445 3.936 . 0 0 "[ . 1 . 2]" 1
788 1 17 PHE H 1 61 TYR QD . . 4.570 3.840 3.366 4.320 . 0 0 "[ . 1 . 2]" 1
789 1 60 LYS HB2 1 61 TYR H . . 4.760 4.029 3.469 4.402 . 0 0 "[ . 1 . 2]" 1
790 1 60 LYS HB3 1 61 TYR H . . 4.760 3.026 2.665 4.499 . 0 0 "[ . 1 . 2]" 1
791 1 60 LYS HB2 1 60 LYS QE . . 4.700 3.188 2.118 4.173 . 0 0 "[ . 1 . 2]" 1
792 1 60 LYS HB3 1 60 LYS QE . . 4.700 3.393 2.355 4.247 . 0 0 "[ . 1 . 2]" 1
793 1 60 LYS HA 1 60 LYS QD . . 4.360 3.463 2.350 4.373 0.013 18 0 "[ . 1 . 2]" 1
794 1 59 HIS H 1 59 HIS HD2 . . 5.070 4.846 4.759 5.034 . 0 0 "[ . 1 . 2]" 1
795 1 27 LEU MD2 1 53 MET ME . . 3.940 3.247 2.096 3.942 0.002 16 0 "[ . 1 . 2]" 1
796 1 38 HIS H 1 48 GLY HA2 . . 3.670 2.325 1.904 2.547 . 0 0 "[ . 1 . 2]" 1
797 1 38 HIS H 1 48 GLY HA3 . . 3.670 3.494 2.943 3.673 0.003 12 0 "[ . 1 . 2]" 1
798 1 41 ALA MB 1 45 TRP HD1 . . 5.500 5.247 4.992 5.502 0.002 12 0 "[ . 1 . 2]" 1
799 1 45 TRP HZ3 1 57 ILE H . . 4.790 4.218 3.984 4.400 . 0 0 "[ . 1 . 2]" 1
800 1 45 TRP HZ3 1 58 PRO HB3 . . 4.660 3.569 3.342 3.761 . 0 0 "[ . 1 . 2]" 1
801 1 40 ARG HA 1 46 TRP HB2 . . 5.500 5.072 4.765 5.416 . 0 0 "[ . 1 . 2]" 1
802 1 39 GLU QB 1 40 ARG H . . 4.790 3.220 2.589 3.528 . 0 0 "[ . 1 . 2]" 1
803 1 38 HIS HB2 1 47 ARG HB3 . . 4.690 2.860 2.375 3.282 . 0 0 "[ . 1 . 2]" 1
804 1 37 LEU HA 1 38 HIS HB2 . . 4.750 4.581 4.425 4.676 . 0 0 "[ . 1 . 2]" 1
805 1 34 VAL HA 1 35 LEU HG . . 3.940 3.119 3.035 3.180 . 0 0 "[ . 1 . 2]" 1
806 1 31 ARG QG 1 32 GLY HA2 . . 4.460 3.736 3.421 4.288 . 0 0 "[ . 1 . 2]" 1
807 1 31 ARG HA 1 32 GLY HA3 . . 4.450 4.408 4.397 4.439 . 0 0 "[ . 1 . 2]" 1
808 1 29 PHE HB3 1 50 HIS HE1 . . 4.710 2.794 2.319 3.855 . 0 0 "[ . 1 . 2]" 1
809 1 29 PHE QD 1 57 ILE MG . . 5.170 4.485 3.885 4.802 . 0 0 "[ . 1 . 2]" 1
810 1 27 LEU HA 1 27 LEU MD1 . . 3.950 3.865 3.843 3.888 . 0 0 "[ . 1 . 2]" 1
811 1 20 THR HB 1 21 GLY H . . 4.490 4.470 4.393 4.500 0.010 11 0 "[ . 1 . 2]" 1
812 1 19 TYR HB2 1 61 TYR HB3 . . 4.490 3.138 2.756 3.351 . 0 0 "[ . 1 . 2]" 1
813 1 19 TYR QD 1 58 PRO HD3 . . 4.370 4.065 3.573 4.360 . 0 0 "[ . 1 . 2]" 1
814 1 19 TYR QD 1 28 SER HA . . 4.210 3.201 2.800 3.474 . 0 0 "[ . 1 . 2]" 1
815 1 19 TYR QE 1 45 TRP HH2 . . 4.500 3.545 3.237 3.963 . 0 0 "[ . 1 . 2]" 1
816 1 18 ALA HA 1 31 ARG HA . . 4.630 3.805 3.457 4.194 . 0 0 "[ . 1 . 2]" 1
817 1 18 ALA MB 1 30 ARG QD . . 4.960 3.716 1.937 4.791 . 0 0 "[ . 1 . 2]" 1
818 1 34 VAL MG1 1 35 LEU H . . 3.230 1.984 1.836 2.203 . 0 0 "[ . 1 . 2]" 1
819 1 10 VAL HA 1 10 VAL MG2 . . 3.120 2.368 2.186 2.461 . 0 0 "[ . 1 . 2]" 1
820 1 34 VAL HA 1 34 VAL MG1 . . 3.330 2.309 2.238 2.411 . 0 0 "[ . 1 . 2]" 1
821 1 14 VAL HB 1 63 THR MG . . 4.530 4.430 3.968 4.531 0.001 13 0 "[ . 1 . 2]" 1
822 1 29 PHE HZ 1 61 TYR HB3 . . 4.230 3.944 3.745 4.121 . 0 0 "[ . 1 . 2]" 1
823 1 49 GLU HG3 1 52 GLY HA2 . . 5.500 4.980 4.741 5.505 0.005 19 0 "[ . 1 . 2]" 1
824 1 12 GLU HA 1 36 ARG HA . . 4.220 2.621 2.334 2.927 . 0 0 "[ . 1 . 2]" 1
825 1 14 VAL HA 1 34 VAL HA . . 3.200 2.487 2.320 2.634 . 0 0 "[ . 1 . 2]" 1
826 1 18 ALA HA 1 30 ARG HA . . 3.240 2.494 2.224 2.987 . 0 0 "[ . 1 . 2]" 1
827 1 20 THR HA 1 29 PHE H . . 4.390 3.914 3.509 4.169 . 0 0 "[ . 1 . 2]" 1
828 1 49 GLU HA 1 54 ARG HA . . 3.070 2.072 2.015 2.180 . 0 0 "[ . 1 . 2]" 1
829 1 15 ALA HA 1 62 ILE HA . . 3.620 2.513 2.244 2.839 . 0 0 "[ . 1 . 2]" 1
830 1 14 VAL MG1 1 63 THR HB . . 4.620 4.316 3.756 4.620 . 0 0 "[ . 1 . 2]" 1
831 1 38 HIS HE1 1 54 ARG QD . . 4.300 4.032 3.449 4.300 0.000 3 0 "[ . 1 . 2]" 1
832 1 10 VAL MG1 1 36 ARG HD3 . . 3.980 2.809 1.880 3.981 0.001 18 0 "[ . 1 . 2]" 1
833 1 10 VAL MG1 1 36 ARG HD2 . . 3.980 3.272 1.795 3.980 . 0 0 "[ . 1 . 2]" 1
834 1 49 GLU HB3 1 54 ARG HG2 . . 3.850 3.616 3.549 3.717 . 0 0 "[ . 1 . 2]" 1
835 1 64 LEU HB3 1 65 PRO HD3 . . 3.590 3.475 3.440 3.524 . 0 0 "[ . 1 . 2]" 1
836 1 15 ALA HA 1 62 ILE HB . . 4.070 3.901 3.684 4.070 0.000 17 0 "[ . 1 . 2]" 1
837 1 38 HIS HB3 1 47 ARG HB3 . . 5.050 4.344 3.691 4.816 . 0 0 "[ . 1 . 2]" 1
838 1 19 TYR QE 1 58 PRO HG3 . . 4.560 3.830 3.484 4.267 . 0 0 "[ . 1 . 2]" 1
839 1 10 VAL MG1 1 37 LEU H . . 4.020 2.894 2.426 3.587 . 0 0 "[ . 1 . 2]" 1
840 1 9 GLY QA 1 10 VAL H . . 2.870 2.206 2.111 2.463 . 0 0 "[ . 1 . 2]" 1
841 1 9 GLY QA 1 10 VAL HB . . 4.530 4.376 4.230 4.529 . 0 0 "[ . 1 . 2]" 1
842 1 9 GLY QA 1 10 VAL MG2 . . 3.780 3.302 3.041 3.780 0.000 18 0 "[ . 1 . 2]" 1
843 1 10 VAL MG1 1 36 ARG QB . . 3.510 2.268 1.816 3.455 . 0 0 "[ . 1 . 2]" 1
844 1 11 VAL HB 1 37 LEU QD . . 3.700 2.760 2.030 3.290 . 0 0 "[ . 1 . 2]" 1
845 1 12 GLU HG2 1 36 ARG QG . . 4.150 2.928 2.111 4.150 . 0 0 "[ . 1 . 2]" 1
846 1 12 GLU HG3 1 36 ARG QG . . 4.280 2.904 2.343 4.227 . 0 0 "[ . 1 . 2]" 1
847 1 13 ALA H 1 37 LEU QD . . 4.560 3.496 3.073 3.892 . 0 0 "[ . 1 . 2]" 1
848 1 13 ALA MB 1 37 LEU QD . . 2.780 2.014 1.807 2.261 . 0 0 "[ . 1 . 2]" 1
849 1 16 CYS QB 1 17 PHE QD . . 4.150 2.972 1.997 3.965 . 0 0 "[ . 1 . 2]" 1
850 1 16 CYS QB 1 62 ILE H . . 5.340 3.901 3.231 5.220 . 0 0 "[ . 1 . 2]" 1
851 1 18 ALA H 1 31 ARG QB . . 3.630 2.854 2.297 3.322 . 0 0 "[ . 1 . 2]" 1
852 1 19 TYR QE 1 21 GLY QA . . 3.160 2.035 1.991 2.112 . 0 0 "[ . 1 . 2]" 1
853 1 19 TYR QE 1 26 GLU QG . . 4.790 3.656 3.213 4.225 . 0 0 "[ . 1 . 2]" 1
854 1 20 THR HA 1 21 GLY QA . . 4.370 3.964 3.931 3.989 . 0 0 "[ . 1 . 2]" 1
855 1 20 THR HA 1 28 SER QB . . 3.980 2.648 2.090 3.265 . 0 0 "[ . 1 . 2]" 1
856 1 20 THR MG 1 28 SER QB . . 3.940 3.279 2.872 3.594 . 0 0 "[ . 1 . 2]" 1
857 1 21 GLY H 1 28 SER QB . . 3.770 2.477 1.915 3.461 . 0 0 "[ . 1 . 2]" 1
858 1 21 GLY QA 1 22 ARG H . . 2.920 2.124 2.111 2.186 . 0 0 "[ . 1 . 2]" 1
859 1 21 GLY QA 1 26 GLU H . . 4.730 4.296 4.099 4.467 . 0 0 "[ . 1 . 2]" 1
860 1 22 ARG H 1 26 GLU QG . . 4.410 3.285 2.722 3.910 . 0 0 "[ . 1 . 2]" 1
861 1 22 ARG HA 1 22 ARG QG . . 3.100 2.429 2.123 2.848 . 0 0 "[ . 1 . 2]" 1
862 1 22 ARG HA 1 22 ARG QD . . 3.930 3.016 2.011 3.972 0.042 18 0 "[ . 1 . 2]" 1
863 1 23 THR H 1 26 GLU QG . . 3.840 3.515 3.304 3.687 . 0 0 "[ . 1 . 2]" 1
864 1 23 THR MG 1 26 GLU QG . . 4.840 4.760 4.593 4.841 0.001 20 0 "[ . 1 . 2]" 1
865 1 25 GLN H 1 25 GLN QB . . 3.280 2.286 2.127 2.507 . 0 0 "[ . 1 . 2]" 1
866 1 25 GLN H 1 25 GLN QG . . 3.810 2.723 2.046 3.861 0.051 13 0 "[ . 1 . 2]" 1
867 1 25 GLN QB 1 26 GLU H . . 4.190 2.707 2.407 3.431 . 0 0 "[ . 1 . 2]" 1
868 1 25 GLN QB 1 56 LEU HG . . 4.550 3.778 3.441 4.555 0.005 13 0 "[ . 1 . 2]" 1
869 1 25 GLN QB 1 56 LEU MD1 . . 3.470 2.437 2.035 3.482 0.012 13 0 "[ . 1 . 2]" 1
870 1 25 GLN QG 1 56 LEU MD1 . . 4.070 3.302 1.810 4.001 . 0 0 "[ . 1 . 2]" 1
871 1 26 GLU H 1 26 GLU QG . . 3.470 2.931 2.383 3.431 . 0 0 "[ . 1 . 2]" 1
872 1 26 GLU QG 1 27 LEU H . . 4.580 3.898 3.679 4.025 . 0 0 "[ . 1 . 2]" 1
873 1 26 GLU QG 1 45 TRP HZ3 . . 4.120 2.973 2.419 3.217 . 0 0 "[ . 1 . 2]" 1
874 1 26 GLU QG 1 45 TRP HH2 . . 3.950 2.976 2.493 3.472 . 0 0 "[ . 1 . 2]" 1
875 1 26 GLU QG 1 56 LEU HB2 . . 3.760 3.226 2.785 3.739 . 0 0 "[ . 1 . 2]" 1
876 1 26 GLU QG 1 56 LEU HB3 . . 4.900 4.551 4.166 4.901 0.001 16 0 "[ . 1 . 2]" 1
877 1 27 LEU H 1 27 LEU QB . . 3.250 2.344 2.224 2.419 . 0 0 "[ . 1 . 2]" 1
878 1 27 LEU QB 1 28 SER H . . 3.290 2.186 2.005 2.446 . 0 0 "[ . 1 . 2]" 1
879 1 27 LEU QB 1 29 PHE QE . . 4.500 3.196 2.955 3.414 . 0 0 "[ . 1 . 2]" 1
880 1 27 LEU MD2 1 53 MET QG . . 3.600 3.422 3.297 3.550 . 0 0 "[ . 1 . 2]" 1
881 1 28 SER H 1 28 SER QB . . 3.210 2.867 2.557 3.147 . 0 0 "[ . 1 . 2]" 1
882 1 28 SER QB 1 29 PHE H . . 3.460 3.268 2.625 3.461 0.001 20 0 "[ . 1 . 2]" 1
883 1 30 ARG H 1 30 ARG QB . . 3.300 2.360 2.271 2.491 . 0 0 "[ . 1 . 2]" 1
884 1 30 ARG HA 1 31 ARG QB . . 4.730 4.221 4.180 4.282 . 0 0 "[ . 1 . 2]" 1
885 1 30 ARG QB 1 31 ARG H . . 3.370 2.924 2.457 3.339 . 0 0 "[ . 1 . 2]" 1
886 1 31 ARG QB 1 31 ARG QD . . 3.000 2.205 2.034 2.512 . 0 0 "[ . 1 . 2]" 1
887 1 36 ARG H 1 36 ARG QB . . 3.150 2.270 2.126 2.433 . 0 0 "[ . 1 . 2]" 1
888 1 36 ARG H 1 36 ARG QG . . 3.750 2.861 2.413 3.790 0.040 13 0 "[ . 1 . 2]" 1
889 1 36 ARG H 1 36 ARG QD . . 4.640 4.064 3.529 4.640 . 0 0 "[ . 1 . 2]" 1
890 1 36 ARG QB 1 36 ARG QD . . 3.320 2.127 2.032 2.291 . 0 0 "[ . 1 . 2]" 1
891 1 36 ARG QB 1 38 HIS HD2 . . 4.540 2.772 2.495 3.687 . 0 0 "[ . 1 . 2]" 1
892 1 36 ARG QB 1 49 GLU H . . 4.100 3.201 2.659 3.683 . 0 0 "[ . 1 . 2]" 1
893 1 36 ARG QG 1 37 LEU H . . 4.630 3.898 2.122 4.621 . 0 0 "[ . 1 . 2]" 1
894 1 37 LEU H 1 37 LEU QD . . 3.600 3.056 2.900 3.296 . 0 0 "[ . 1 . 2]" 1
895 1 37 LEU HA 1 37 LEU QD . . 2.900 2.079 1.975 2.236 . 0 0 "[ . 1 . 2]" 1
896 1 37 LEU QD 1 38 HIS H . . 4.030 3.898 3.840 3.968 . 0 0 "[ . 1 . 2]" 1
897 1 37 LEU QD 1 39 GLU H . . 5.200 4.740 4.423 5.013 . 0 0 "[ . 1 . 2]" 1
898 1 37 LEU QD 1 46 TRP HB2 . . 3.480 2.515 2.158 2.823 . 0 0 "[ . 1 . 2]" 1
899 1 37 LEU QD 1 46 TRP HB3 . . 3.460 2.260 2.055 2.566 . 0 0 "[ . 1 . 2]" 1
900 1 37 LEU QD 1 46 TRP HD1 . . 4.470 3.983 3.737 4.343 . 0 0 "[ . 1 . 2]" 1
901 1 37 LEU QD 1 46 TRP HZ3 . . 4.350 3.116 2.604 3.650 . 0 0 "[ . 1 . 2]" 1
902 1 37 LEU QD 1 46 TRP HZ2 . . 4.640 4.198 4.020 4.425 . 0 0 "[ . 1 . 2]" 1
903 1 37 LEU QD 1 46 TRP HH2 . . 4.400 3.888 3.480 4.247 . 0 0 "[ . 1 . 2]" 1
904 1 37 LEU QD 1 48 GLY QA . . 3.780 3.226 3.064 3.401 . 0 0 "[ . 1 . 2]" 1
905 1 37 LEU QD 1 49 GLU H . . 5.160 5.079 4.931 5.164 0.004 20 0 "[ . 1 . 2]" 1
906 1 37 LEU QD 1 57 ILE HB . . 4.010 3.014 2.613 3.436 . 0 0 "[ . 1 . 2]" 1
907 1 37 LEU QD 1 62 ILE HB . . 4.930 3.977 3.569 4.189 . 0 0 "[ . 1 . 2]" 1
908 1 37 LEU QD 1 62 ILE MG . . 4.940 3.565 3.287 3.859 . 0 0 "[ . 1 . 2]" 1
909 1 37 LEU QD 1 62 ILE MD . . 2.970 2.595 2.155 2.861 . 0 0 "[ . 1 . 2]" 1
910 1 37 LEU QD 1 64 LEU HG . . 4.460 3.682 2.327 4.128 . 0 0 "[ . 1 . 2]" 1
911 1 37 LEU QD 1 64 LEU QD . . 2.910 1.931 1.651 2.764 . 0 0 "[ . 1 . 2]" 1
912 1 38 HIS HB2 1 48 GLY QA . . 5.050 3.504 2.917 3.986 . 0 0 "[ . 1 . 2]" 1
913 1 38 HIS HB3 1 47 ARG QB . . 4.400 4.011 3.529 4.341 . 0 0 "[ . 1 . 2]" 1
914 1 38 HIS HD2 1 48 GLY QA . . 3.780 2.490 2.309 2.675 . 0 0 "[ . 1 . 2]" 1
915 1 38 HIS HD2 1 49 GLU QB . . 4.440 4.187 3.612 4.440 0.000 4 0 "[ . 1 . 2]" 1
916 1 38 HIS HE1 1 49 GLU QB . . 3.690 2.630 2.123 2.992 . 0 0 "[ . 1 . 2]" 1
917 1 38 HIS HE1 1 49 GLU QG . . 5.040 4.410 3.760 4.779 . 0 0 "[ . 1 . 2]" 1
918 1 40 ARG HA 1 40 ARG QG . . 3.480 2.750 2.469 2.939 . 0 0 "[ . 1 . 2]" 1
919 1 40 ARG QB 1 40 ARG QD . . 3.250 2.260 2.038 2.540 . 0 0 "[ . 1 . 2]" 1
920 1 40 ARG QB 1 42 SER H . . 5.230 4.755 4.472 5.021 . 0 0 "[ . 1 . 2]" 1
921 1 40 ARG QB 1 46 TRP HE3 . . 4.390 4.025 3.232 4.392 0.002 8 0 "[ . 1 . 2]" 1
922 1 40 ARG QB 1 46 TRP HZ3 . . 4.020 3.527 2.705 3.996 . 0 0 "[ . 1 . 2]" 1
923 1 40 ARG QB 1 46 TRP HH2 . . 4.590 4.146 3.594 4.590 . 0 0 "[ . 1 . 2]" 1
924 1 40 ARG QG 1 41 ALA H . . 3.940 3.175 2.388 3.890 . 0 0 "[ . 1 . 2]" 1
925 1 40 ARG QG 1 42 SER H . . 3.610 2.999 2.509 3.447 . 0 0 "[ . 1 . 2]" 1
926 1 40 ARG QD 1 41 ALA H . . 4.200 3.474 2.831 4.200 . 16 0 "[ . 1 . 2]" 1
927 1 40 ARG QD 1 42 SER H . . 4.230 3.599 3.159 4.124 . 0 0 "[ . 1 . 2]" 1
928 1 40 ARG QD 1 46 TRP HA . . 4.210 3.431 2.938 4.077 . 0 0 "[ . 1 . 2]" 1
929 1 40 ARG QD 1 46 TRP HZ2 . . 3.800 3.224 2.731 3.682 . 0 0 "[ . 1 . 2]" 1
930 1 40 ARG QD 1 46 TRP HH2 . . 4.570 3.395 2.770 3.995 . 0 0 "[ . 1 . 2]" 1
931 1 41 ALA MB 1 42 SER QB . . 4.500 3.171 2.986 3.801 . 0 0 "[ . 1 . 2]" 1
932 1 44 ASP QB 1 45 TRP H . . 3.850 3.500 2.867 3.870 0.020 11 0 "[ . 1 . 2]" 1
933 1 44 ASP QB 1 45 TRP HD1 . . 3.210 3.072 2.803 3.220 0.010 12 0 "[ . 1 . 2]" 1
934 1 44 ASP QB 1 45 TRP HE1 . . 3.930 3.834 3.709 3.931 0.001 20 0 "[ . 1 . 2]" 1
935 1 46 TRP HZ3 1 64 LEU QD . . 3.900 3.688 3.298 3.904 0.004 14 0 "[ . 1 . 2]" 1
936 1 46 TRP HZ2 1 64 LEU QD . . 3.190 2.153 1.903 2.490 . 0 0 "[ . 1 . 2]" 1
937 1 46 TRP HH2 1 64 LEU QD . . 3.560 2.630 2.048 2.991 . 0 0 "[ . 1 . 2]" 1
938 1 47 ARG QB 1 47 ARG QD . . 3.280 2.191 2.025 2.565 . 0 0 "[ . 1 . 2]" 1
939 1 47 ARG QB 1 48 GLY H . . 3.830 3.475 3.284 3.545 . 0 0 "[ . 1 . 2]" 1
940 1 47 ARG QB 1 56 LEU MD2 . . 4.420 3.958 3.735 4.239 . 0 0 "[ . 1 . 2]" 1
941 1 48 GLY QA 1 49 GLU HA . . 4.640 3.942 3.939 3.946 . 0 0 "[ . 1 . 2]" 1
942 1 48 GLY QA 1 57 ILE MD . . 2.910 1.985 1.905 2.145 . 0 0 "[ . 1 . 2]" 1
943 1 49 GLU H 1 49 GLU QB . . 3.480 2.530 2.455 2.612 . 0 0 "[ . 1 . 2]" 1
944 1 49 GLU QB 1 50 HIS H . . 4.000 3.791 3.560 3.883 . 0 0 "[ . 1 . 2]" 1
945 1 49 GLU QB 1 54 ARG QD . . 4.150 3.138 2.624 3.396 . 0 0 "[ . 1 . 2]" 1
946 1 49 GLU QG 1 50 HIS H . . 3.470 3.031 2.380 3.234 . 0 0 "[ . 1 . 2]" 1
947 1 49 GLU QG 1 52 GLY H . . 4.690 3.620 3.292 3.976 . 0 0 "[ . 1 . 2]" 1
948 1 49 GLU QG 1 52 GLY HA2 . . 4.800 4.578 4.324 4.746 . 0 0 "[ . 1 . 2]" 1
949 1 49 GLU QG 1 53 MET H . . 4.200 3.480 3.206 3.758 . 0 0 "[ . 1 . 2]" 1
950 1 53 MET H 1 53 MET QG . . 3.640 3.364 2.679 3.603 . 0 0 "[ . 1 . 2]" 1
951 1 59 HIS HD2 1 60 LYS QB . . 5.240 4.182 3.745 4.886 . 0 0 "[ . 1 . 2]" 1
952 1 59 HIS HE1 1 64 LEU QD . . 3.340 2.095 1.820 2.583 . 0 0 "[ . 1 . 2]" 1
953 1 60 LYS H 1 60 LYS QB . . 2.910 2.324 2.226 2.880 . 0 0 "[ . 1 . 2]" 1
954 1 60 LYS H 1 60 LYS QG . . 4.030 3.739 1.820 4.052 0.022 9 0 "[ . 1 . 2]" 1
955 1 60 LYS HA 1 60 LYS QG . . 3.400 2.696 2.298 3.259 . 0 0 "[ . 1 . 2]" 1
956 1 60 LYS QB 1 60 LYS QE . . 4.120 2.849 2.076 3.645 . 0 0 "[ . 1 . 2]" 1
957 1 60 LYS QB 1 61 TYR H . . 4.180 2.881 2.618 3.499 . 0 0 "[ . 1 . 2]" 1
958 1 60 LYS QB 1 61 TYR QD . . 3.610 2.256 1.990 2.875 . 0 0 "[ . 1 . 2]" 1
959 1 60 LYS QB 1 61 TYR QE . . 4.250 3.066 2.468 3.517 . 0 0 "[ . 1 . 2]" 1
960 1 60 LYS QB 1 62 ILE H . . 5.340 4.660 4.494 5.041 . 0 0 "[ . 1 . 2]" 1
961 1 60 LYS QG 1 61 TYR QD . . 3.850 2.912 1.985 3.853 0.003 9 0 "[ . 1 . 2]" 1
962 1 60 LYS QG 1 61 TYR QE . . 4.580 3.099 2.577 3.864 . 0 0 "[ . 1 . 2]" 1
963 1 62 ILE HB 1 64 LEU QD . . 4.210 4.113 3.928 4.208 . 0 0 "[ . 1 . 2]" 1
964 1 64 LEU H 1 64 LEU QD . . 3.610 3.055 2.184 3.260 . 0 0 "[ . 1 . 2]" 1
965 1 64 LEU HA 1 64 LEU QD . . 3.030 2.165 1.900 2.974 . 0 0 "[ . 1 . 2]" 1
966 1 64 LEU QD 1 65 PRO QG . . 4.300 3.696 3.366 3.872 . 0 0 "[ . 1 . 2]" 1
967 1 64 LEU QD 1 65 PRO HD2 . . 3.470 2.301 1.958 2.729 . 0 0 "[ . 1 . 2]" 1
968 1 64 LEU QD 1 65 PRO HD3 . . 3.860 3.050 2.609 3.873 0.013 12 0 "[ . 1 . 2]" 1
969 1 64 LEU QD 1 68 THR HA . . 4.130 3.596 2.267 4.130 . 0 0 "[ . 1 . 2]" 1
970 1 64 LEU QD 1 68 THR HB . . 4.150 2.733 1.917 3.839 . 0 0 "[ . 1 . 2]" 1
971 1 70 LYS H 1 70 LYS QB . . 3.690 2.528 2.171 3.319 . 0 0 "[ . 1 . 2]" 1
972 1 70 LYS HA 1 70 LYS QG . . 3.710 2.706 2.151 3.436 . 0 0 "[ . 1 . 2]" 1
973 1 71 GLN QB 1 72 VAL H . . 4.160 3.429 2.220 4.039 . 0 0 "[ . 1 . 2]" 1
974 1 72 VAL H 1 72 VAL QG . . 3.590 2.259 1.851 2.906 . 0 0 "[ . 1 . 2]" 1
975 1 72 VAL QG 1 73 VAL H . . 4.440 2.961 1.878 3.668 . 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 36
_Distance_constraint_stats_list.Viol_count 680
_Distance_constraint_stats_list.Viol_total 5872.288
_Distance_constraint_stats_list.Viol_max 0.815
_Distance_constraint_stats_list.Viol_rms 0.2321
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4078
_Distance_constraint_stats_list.Viol_average_violations_only 0.4318
_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 11 VAL 23.420 0.571 11 4 "[ .- *+ * . 2]"
1 13 ALA 82.019 0.788 3 19 "[**+*******- ********]"
1 19 TYR 43.413 0.811 14 19 "[ -***********+******]"
1 29 PHE 43.413 0.811 14 19 "[ -***********+******]"
1 35 LEU 82.019 0.788 3 19 "[**+*******- ********]"
1 37 LEU 23.420 0.571 11 4 "[ .- *+ * . 2]"
1 46 TRP 30.574 0.455 16 0 "[ . 1 . 2]"
1 48 GLY 101.547 0.815 17 20 [*-**************+***]
1 50 HIS 12.641 0.494 7 0 "[ . 1 . 2]"
1 53 MET 12.641 0.494 7 0 "[ . 1 . 2]"
1 55 GLY 101.547 0.815 17 20 [*-**************+***]
1 57 ILE 30.574 0.455 16 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 13 ALA H 1 35 LEU O . . 1.700 2.148 1.941 2.204 0.504 13 3 "[ . *- + . 2]" 2
2 1 13 ALA H 1 35 LEU C . . 2.600 3.258 3.038 3.388 0.788 3 19 "[**+******** ***-****]" 2
3 1 13 ALA N 1 35 LEU O . . 2.600 3.109 2.900 3.180 0.580 10 13 "[* **.* -*+* *** * *2]" 2
4 1 13 ALA N 1 35 LEU C . . 3.600 4.221 4.017 4.316 0.716 6 19 "[*****+***** ***-****]" 2
5 1 19 TYR H 1 29 PHE O . . 1.700 2.114 1.903 2.199 0.499 2 0 "[ . 1 . 2]" 2
6 1 19 TYR H 1 29 PHE C . . 2.600 3.301 3.090 3.411 0.811 14 19 "[ ************+***-**]" 2
7 1 19 TYR N 1 29 PHE O . . 2.600 3.022 2.791 3.138 0.538 10 2 "[ - . + . 2]" 2
8 1 19 TYR N 1 29 PHE C . . 3.600 4.234 4.010 4.354 0.754 10 19 "[ ********+*****-****]" 2
9 1 13 ALA O 1 35 LEU H . . 1.700 2.038 1.901 2.179 0.479 17 0 "[ . 1 . 2]" 2
10 1 13 ALA C 1 35 LEU H . . 2.600 3.196 3.021 3.308 0.708 17 17 "[****** **** *** +**-]" 2
11 1 13 ALA O 1 35 LEU N . . 2.600 2.976 2.841 3.136 0.536 17 1 "[ . 1 . + 2]" 2
12 1 13 ALA C 1 35 LEU N . . 3.600 4.154 3.995 4.284 0.684 17 15 "[-***** **** ** +**2]" 2
13 1 11 VAL O 1 37 LEU H . . 1.700 1.910 1.800 2.192 0.492 4 0 "[ . 1 . 2]" 2
14 1 11 VAL C 1 37 LEU H . . 2.600 2.994 2.863 3.171 0.571 11 4 "[ .- *+ * . 2]" 2
15 1 11 VAL O 1 37 LEU N . . 2.600 2.830 2.711 3.059 0.459 4 0 "[ . 1 . 2]" 2
16 1 11 VAL C 1 37 LEU N . . 3.600 3.936 3.810 4.132 0.532 10 3 "[ .- +* . 2]" 2
17 1 46 TRP H 1 57 ILE O . . 1.700 1.923 1.797 2.040 0.340 17 0 "[ . 1 . 2]" 2
18 1 46 TRP H 1 57 ILE C . . 2.600 2.896 2.764 3.025 0.425 17 0 "[ . 1 . 2]" 2
19 1 46 TRP N 1 57 ILE O . . 2.600 2.713 2.600 2.811 0.211 8 0 "[ . 1 . 2]" 2
20 1 46 TRP N 1 57 ILE C . . 3.600 3.778 3.660 3.872 0.272 8 0 "[ . 1 . 2]" 2
21 1 48 GLY H 1 55 GLY O . . 1.700 2.175 2.119 2.205 0.505 20 5 "[ . - *. ** +]" 2
22 1 48 GLY H 1 55 GLY C . . 2.600 3.377 3.321 3.415 0.815 17 20 [******-*********+***] 2
23 1 48 GLY N 1 55 GLY O . . 2.600 3.098 3.075 3.148 0.548 18 8 "[ * . * * .*-+**]" 2
24 1 48 GLY N 1 55 GLY C . . 3.600 4.316 4.282 4.365 0.765 18 20 [*-***************+**] 2
25 1 50 HIS H 1 53 MET O . . 1.700 2.054 1.812 2.194 0.494 7 0 "[ . 1 . 2]" 2
26 1 50 HIS H 1 53 MET C . . 2.600 2.863 2.640 2.965 0.365 16 0 "[ . 1 . 2]" 2
27 1 50 HIS N 1 53 MET O . . 2.600 2.607 2.584 2.680 0.080 7 0 "[ . 1 . 2]" 2
28 1 50 HIS N 1 53 MET C . . 3.600 3.588 3.562 3.634 0.034 16 0 "[ . 1 . 2]" 2
29 1 48 GLY O 1 55 GLY H . . 1.700 2.196 2.165 2.210 0.510 13 11 "[*- * ** +*** **]" 2
30 1 48 GLY C 1 55 GLY H . . 2.600 3.386 3.361 3.410 0.810 18 20 [**-**************+**] 2
31 1 48 GLY O 1 55 GLY N . . 2.600 3.167 3.132 3.188 0.588 13 20 [******-*****+*******] 2
32 1 48 GLY C 1 55 GLY N . . 3.600 4.363 4.335 4.385 0.785 19 20 [*************-****+*] 2
33 1 46 TRP O 1 57 ILE H . . 1.700 1.980 1.854 2.148 0.448 10 0 "[ . 1 . 2]" 2
34 1 46 TRP C 1 57 ILE H . . 2.600 2.937 2.835 3.055 0.455 16 0 "[ . 1 . 2]" 2
35 1 46 TRP O 1 57 ILE N . . 2.600 2.679 2.599 2.841 0.241 5 0 "[ . 1 . 2]" 2
36 1 46 TRP C 1 57 ILE N . . 3.600 3.622 3.595 3.674 0.074 8 0 "[ . 1 . 2]" 2
stop_
save_
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