NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508757 |
2rpp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rpp
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 1206
_Distance_constraint_stats_list.Viol_count 396
_Distance_constraint_stats_list.Viol_total 876.423
_Distance_constraint_stats_list.Viol_max 0.859
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.1107
_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 THR 0.046 0.019 9 0 "[ . 1 . 2]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TRP 0.013 0.011 5 0 "[ . 1 . 2]"
1 15 LEU 1.047 0.110 5 0 "[ . 1 . 2]"
1 16 THR 1.124 0.110 5 0 "[ . 1 . 2]"
1 17 LEU 0.018 0.010 13 0 "[ . 1 . 2]"
1 18 GLU 0.085 0.033 6 0 "[ . 1 . 2]"
1 19 VAL 0.082 0.019 5 0 "[ . 1 . 2]"
1 20 CYS 0.229 0.073 20 0 "[ . 1 . 2]"
1 21 ARG 0.739 0.085 18 0 "[ . 1 . 2]"
1 22 GLN 0.334 0.085 4 0 "[ . 1 . 2]"
1 23 PHE 0.048 0.010 13 0 "[ . 1 . 2]"
1 24 GLN 0.103 0.027 3 0 "[ . 1 . 2]"
1 25 ARG 11.076 0.652 13 15 "[***** *- *+**** **]"
1 26 GLY 10.776 0.652 13 15 "[***** *- *+**** **]"
1 27 THR 12.645 0.859 6 18 "[****.+*********-** *]"
1 28 CYS 12.624 0.859 6 18 "[****.+*********-** *]"
1 29 SER 4.338 0.248 3 0 "[ . 1 . 2]"
1 30 ARG 0.106 0.026 15 0 "[ . 1 . 2]"
1 31 SER 6.394 0.786 19 5 "[ *. - 1 .* +*]"
1 32 ASP 0.073 0.042 16 0 "[ . 1 . 2]"
1 33 GLU 0.298 0.058 9 0 "[ . 1 . 2]"
1 34 GLU 0.055 0.038 16 0 "[ . 1 . 2]"
1 35 CYS 6.392 0.786 19 5 "[ *. - 1 .* +*]"
1 36 LYS 0.573 0.066 14 0 "[ . 1 . 2]"
1 37 PHE 0.269 0.063 10 0 "[ . 1 . 2]"
1 38 ALA 0.050 0.011 2 0 "[ . 1 . 2]"
1 39 HIS 0.009 0.003 11 0 "[ . 1 . 2]"
1 40 PRO 0.072 0.020 6 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.025 0.018 11 0 "[ . 1 . 2]"
1 43 SER 0.008 0.005 17 0 "[ . 1 . 2]"
1 44 CYS 0.047 0.047 2 0 "[ . 1 . 2]"
1 45 GLN 0.086 0.082 2 0 "[ . 1 . 2]"
1 46 VAL 0.129 0.082 2 0 "[ . 1 . 2]"
1 47 GLU 0.010 0.006 1 0 "[ . 1 . 2]"
1 48 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.001 0.001 15 0 "[ . 1 . 2]"
1 50 ARG 0.182 0.099 6 0 "[ . 1 . 2]"
1 51 VAL 0.022 0.015 6 0 "[ . 1 . 2]"
1 52 ILE 0.042 0.019 9 0 "[ . 1 . 2]"
1 53 ALA 0.003 0.003 20 0 "[ . 1 . 2]"
1 54 CYS 0.038 0.013 18 0 "[ . 1 . 2]"
1 55 PHE 0.027 0.007 2 0 "[ . 1 . 2]"
1 56 ASP 0.242 0.035 12 0 "[ . 1 . 2]"
1 57 SER 0.077 0.014 11 0 "[ . 1 . 2]"
1 58 LEU 0.025 0.005 10 0 "[ . 1 . 2]"
1 59 LYS 0.060 0.035 12 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.220 0.024 19 0 "[ . 1 . 2]"
1 62 CYS 0.033 0.014 11 0 "[ . 1 . 2]"
1 63 SER 4.848 0.249 10 0 "[ . 1 . 2]"
1 64 ARG 0.017 0.007 15 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.005 0.005 17 0 "[ . 1 . 2]"
1 67 CYS 0.017 0.007 15 0 "[ . 1 . 2]"
1 68 LYS 0.035 0.016 14 0 "[ . 1 . 2]"
1 69 TYR 0.005 0.004 4 0 "[ . 1 . 2]"
1 70 LEU 0.049 0.020 6 0 "[ . 1 . 2]"
1 71 HIS 0.009 0.003 10 0 "[ . 1 . 2]"
1 72 PRO 0.080 0.033 16 0 "[ . 1 . 2]"
1 73 PRO 0.098 0.058 9 0 "[ . 1 . 2]"
1 74 THR 0.025 0.013 15 0 "[ . 1 . 2]"
1 75 HIS 0.044 0.044 9 0 "[ . 1 . 2]"
1 76 LEU 0.079 0.033 16 0 "[ . 1 . 2]"
1 77 LYS 0.394 0.067 15 0 "[ . 1 . 2]"
1 78 THR 0.049 0.039 6 0 "[ . 1 . 2]"
1 79 GLN 0.246 0.113 10 0 "[ . 1 . 2]"
1 80 LEU 0.096 0.017 10 0 "[ . 1 . 2]"
1 81 GLU 0.011 0.011 15 0 "[ . 1 . 2]"
1 82 ILE 0.170 0.113 10 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PRO 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 29 SER H 1 29 SER HA . . 2.700 2.917 2.893 2.948 0.248 3 0 "[ . 1 . 2]" 1
2 1 63 SER H 1 63 SER HA . . 2.700 2.942 2.925 2.949 0.249 10 0 "[ . 1 . 2]" 1
3 1 27 THR H 1 28 CYS H . . 2.000 2.631 2.396 2.859 0.859 6 18 "[****.+*********-** *]" 1
4 1 25 ARG H 1 26 GLY H . . 2.000 2.539 2.420 2.652 0.652 13 15 "[***** *- *+**** **]" 1
5 1 31 SER H 1 35 CYS H . . 3.500 3.818 3.510 4.286 0.786 19 5 "[ *. - 1 .* +*]" 1
6 1 64 ARG H 1 64 ARG HA . . 2.800 2.672 2.656 2.765 . 0 0 "[ . 1 . 2]" 1
7 1 81 GLU QB 1 82 ILE H . . 3.670 2.689 2.270 3.611 . 0 0 "[ . 1 . 2]" 1
8 1 82 ILE H 1 82 ILE HB . . 3.130 2.570 2.390 2.677 . 0 0 "[ . 1 . 2]" 1
9 1 82 ILE H 1 82 ILE HG12 . . 3.610 3.422 3.242 3.604 . 0 0 "[ . 1 . 2]" 1
10 1 82 ILE H 1 82 ILE HG13 . . 3.610 2.073 1.902 2.412 . 0 0 "[ . 1 . 2]" 1
11 1 82 ILE H 1 82 ILE MG . . 3.810 3.767 3.730 3.783 . 0 0 "[ . 1 . 2]" 1
12 1 78 THR HA 1 81 GLU H . . 4.350 3.416 3.121 3.644 . 0 0 "[ . 1 . 2]" 1
13 1 81 GLU H 1 81 GLU HG2 . . 4.020 2.843 2.198 3.908 . 0 0 "[ . 1 . 2]" 1
14 1 81 GLU H 1 81 GLU HG3 . . 4.020 3.199 2.239 3.762 . 0 0 "[ . 1 . 2]" 1
15 1 81 GLU H 1 81 GLU QB . . 3.240 2.345 2.173 2.489 . 0 0 "[ . 1 . 2]" 1
16 1 80 LEU HB2 1 81 GLU H . . 4.030 2.464 2.204 2.683 . 0 0 "[ . 1 . 2]" 1
17 1 80 LEU HB3 1 81 GLU H . . 4.130 3.423 3.135 3.638 . 0 0 "[ . 1 . 2]" 1
18 1 80 LEU MD2 1 81 GLU H . . 5.180 4.678 4.550 4.777 . 0 0 "[ . 1 . 2]" 1
19 1 81 GLU H 1 82 ILE MD . . 5.500 5.103 4.775 5.477 . 0 0 "[ . 1 . 2]" 1
20 1 80 LEU MD1 1 81 GLU H . . 4.630 4.277 4.068 4.502 . 0 0 "[ . 1 . 2]" 1
21 1 80 LEU H 1 81 GLU H . . 3.520 2.781 2.445 2.996 . 0 0 "[ . 1 . 2]" 1
22 1 79 GLN HB3 1 80 LEU H . . 4.580 3.340 2.527 3.928 . 0 0 "[ . 1 . 2]" 1
23 1 80 LEU H 1 80 LEU HB2 . . 3.360 2.449 2.324 2.564 . 0 0 "[ . 1 . 2]" 1
24 1 80 LEU H 1 80 LEU HG . . 3.400 2.344 2.117 2.702 . 0 0 "[ . 1 . 2]" 1
25 1 80 LEU H 1 80 LEU HB3 . . 3.800 3.585 3.560 3.608 . 0 0 "[ . 1 . 2]" 1
26 1 78 THR H 1 79 GLN H . . 3.760 2.917 2.690 3.105 . 0 0 "[ . 1 . 2]" 1
27 1 79 GLN H 1 80 LEU H . . 3.400 2.905 2.638 3.066 . 0 0 "[ . 1 . 2]" 1
28 1 78 THR HB 1 79 GLN H . . 3.640 2.397 2.107 2.758 . 0 0 "[ . 1 . 2]" 1
29 1 79 GLN H 1 79 GLN HG2 . . 4.560 3.529 1.953 4.427 . 0 0 "[ . 1 . 2]" 1
30 1 79 GLN H 1 79 GLN HG3 . . 4.560 3.237 2.256 4.236 . 0 0 "[ . 1 . 2]" 1
31 1 79 GLN H 1 79 GLN HB2 . . 3.770 2.470 2.155 3.504 . 0 0 "[ . 1 . 2]" 1
32 1 78 THR MG 1 79 GLN H . . 4.270 3.396 3.105 3.760 . 0 0 "[ . 1 . 2]" 1
33 1 79 GLN H 1 79 GLN HB3 . . 3.770 3.372 2.155 3.609 . 0 0 "[ . 1 . 2]" 1
34 1 78 THR H 1 78 THR HB . . 3.480 2.667 2.573 2.768 . 0 0 "[ . 1 . 2]" 1
35 1 77 LYS HB3 1 78 THR H . . 4.040 3.125 2.236 3.667 . 0 0 "[ . 1 . 2]" 1
36 1 77 LYS HB2 1 78 THR H . . 4.040 3.039 2.600 4.079 0.039 6 0 "[ . 1 . 2]" 1
37 1 77 LYS H 1 77 LYS HB3 . . 3.620 3.378 2.155 3.606 . 0 0 "[ . 1 . 2]" 1
38 1 77 LYS H 1 77 LYS HB2 . . 3.620 2.337 2.161 3.015 . 0 0 "[ . 1 . 2]" 1
39 1 76 LEU HB2 1 77 LYS H . . 3.960 2.670 2.388 2.948 . 0 0 "[ . 1 . 2]" 1
40 1 76 LEU HB3 1 77 LYS H . . 4.270 3.357 3.031 3.637 . 0 0 "[ . 1 . 2]" 1
41 1 17 LEU MD1 1 77 LYS H . . 5.230 4.792 4.322 5.229 . 0 0 "[ . 1 . 2]" 1
42 1 77 LYS H 1 80 LEU MD1 . . 5.460 4.439 4.157 4.717 . 0 0 "[ . 1 . 2]" 1
43 1 76 LEU HG 1 77 LYS H . . 5.270 4.642 4.523 4.753 . 0 0 "[ . 1 . 2]" 1
44 1 76 LEU H 1 77 LYS H . . 3.170 2.349 2.201 2.649 . 0 0 "[ . 1 . 2]" 1
45 1 76 LEU H 1 76 LEU HB2 . . 3.560 2.272 2.232 2.299 . 0 0 "[ . 1 . 2]" 1
46 1 76 LEU H 1 76 LEU HB3 . . 4.060 3.550 3.526 3.568 . 0 0 "[ . 1 . 2]" 1
47 1 76 LEU H 1 76 LEU HG . . 3.570 3.022 2.750 3.118 . 0 0 "[ . 1 . 2]" 1
48 1 71 HIS H 1 71 HIS HB3 . . 3.840 3.700 3.669 3.712 . 0 0 "[ . 1 . 2]" 1
49 1 70 LEU HG 1 71 HIS H . . 4.220 2.563 2.299 2.731 . 0 0 "[ . 1 . 2]" 1
50 1 69 TYR HA 1 70 LEU H . . 3.310 2.202 2.165 2.260 . 0 0 "[ . 1 . 2]" 1
51 1 70 LEU H 1 70 LEU HB3 . . 3.440 2.240 2.223 2.306 . 0 0 "[ . 1 . 2]" 1
52 1 70 LEU H 1 70 LEU HB2 . . 3.430 2.882 2.819 2.969 . 0 0 "[ . 1 . 2]" 1
53 1 70 LEU H 1 70 LEU HG . . 4.500 4.236 4.185 4.309 . 0 0 "[ . 1 . 2]" 1
54 1 51 VAL MG2 1 70 LEU H . . 3.880 3.175 2.983 3.536 . 0 0 "[ . 1 . 2]" 1
55 1 70 LEU H 1 70 LEU MD2 . . 4.440 4.111 4.032 4.170 . 0 0 "[ . 1 . 2]" 1
56 1 67 CYS HA 1 69 TYR H . . 4.540 3.619 3.348 3.804 . 0 0 "[ . 1 . 2]" 1
57 1 69 TYR H 1 69 TYR HB2 . . 4.090 2.642 2.415 2.812 . 0 0 "[ . 1 . 2]" 1
58 1 69 TYR H 1 69 TYR HB3 . . 4.090 3.759 3.581 3.875 . 0 0 "[ . 1 . 2]" 1
59 1 68 LYS HB2 1 69 TYR H . . 4.830 4.310 3.281 4.492 . 0 0 "[ . 1 . 2]" 1
60 1 68 LYS H 1 69 TYR H . . 3.530 2.751 2.269 3.117 . 0 0 "[ . 1 . 2]" 1
61 1 67 CYS HA 1 68 LYS H . . 2.900 2.147 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
62 1 67 CYS QB 1 68 LYS H . . 4.260 3.817 3.628 3.906 . 0 0 "[ . 1 . 2]" 1
63 1 68 LYS H 1 68 LYS HB2 . . 3.790 3.568 2.750 3.657 . 0 0 "[ . 1 . 2]" 1
64 1 68 LYS H 1 68 LYS HB3 . . 3.790 2.813 2.450 3.651 . 0 0 "[ . 1 . 2]" 1
65 1 68 LYS H 1 68 LYS HG3 . . 4.170 3.080 1.902 3.678 . 0 0 "[ . 1 . 2]" 1
66 1 68 LYS H 1 68 LYS HG2 . . 4.170 2.286 1.898 3.384 . 0 0 "[ . 1 . 2]" 1
67 1 66 ASN HA 1 67 CYS H . . 3.220 2.845 2.781 2.970 . 0 0 "[ . 1 . 2]" 1
68 1 67 CYS H 1 67 CYS QB . . 2.750 2.218 2.188 2.292 . 0 0 "[ . 1 . 2]" 1
69 1 64 ARG HB3 1 67 CYS H . . 4.620 2.963 2.697 3.360 . 0 0 "[ . 1 . 2]" 1
70 1 64 ARG H 1 64 ARG HG2 . . 4.080 2.907 2.018 3.900 . 0 0 "[ . 1 . 2]" 1
71 1 57 SER HA 1 62 CYS H . . 4.660 4.140 4.032 4.209 . 0 0 "[ . 1 . 2]" 1
72 1 62 CYS H 1 62 CYS HB2 . . 4.160 2.843 2.790 2.900 . 0 0 "[ . 1 . 2]" 1
73 1 61 ARG H 1 62 CYS H . . 4.100 4.027 3.994 4.084 . 0 0 "[ . 1 . 2]" 1
74 1 60 GLY H 1 61 ARG H . . 3.720 2.351 2.297 2.403 . 0 0 "[ . 1 . 2]" 1
75 1 57 SER HA 1 61 ARG H . . 4.480 4.088 3.831 4.272 . 0 0 "[ . 1 . 2]" 1
76 1 61 ARG H 1 61 ARG HB3 . . 4.190 3.380 2.688 3.824 . 0 0 "[ . 1 . 2]" 1
77 1 61 ARG H 1 61 ARG HB2 . . 4.190 2.891 2.549 3.738 . 0 0 "[ . 1 . 2]" 1
78 1 61 ARG H 1 61 ARG HG2 . . 5.340 3.957 2.364 4.902 . 0 0 "[ . 1 . 2]" 1
79 1 61 ARG H 1 61 ARG HG3 . . 5.340 4.099 2.448 4.959 . 0 0 "[ . 1 . 2]" 1
80 1 59 LYS H 1 60 GLY H . . 3.460 2.556 2.492 2.599 . 0 0 "[ . 1 . 2]" 1
81 1 57 SER HA 1 60 GLY H . . 4.290 3.158 3.035 3.295 . 0 0 "[ . 1 . 2]" 1
82 1 59 LYS HB3 1 60 GLY H . . 4.740 3.782 3.615 4.020 . 0 0 "[ . 1 . 2]" 1
83 1 58 LEU H 1 59 LYS H . . 3.540 2.850 2.724 2.952 . 0 0 "[ . 1 . 2]" 1
84 1 59 LYS H 1 59 LYS HG3 . . 4.300 3.538 3.194 3.857 . 0 0 "[ . 1 . 2]" 1
85 1 59 LYS H 1 59 LYS HG2 . . 4.300 2.693 1.921 4.049 . 0 0 "[ . 1 . 2]" 1
86 1 58 LEU H 1 58 LEU HG . . 3.310 2.054 1.905 2.269 . 0 0 "[ . 1 . 2]" 1
87 1 58 LEU H 1 58 LEU HB2 . . 3.210 2.612 2.467 2.701 . 0 0 "[ . 1 . 2]" 1
88 1 58 LEU H 1 58 LEU HB3 . . 3.760 3.586 3.573 3.597 . 0 0 "[ . 1 . 2]" 1
89 1 58 LEU H 1 58 LEU MD1 . . 4.190 3.524 3.369 3.600 . 0 0 "[ . 1 . 2]" 1
90 1 57 SER H 1 58 LEU H . . 3.490 2.943 2.876 3.009 . 0 0 "[ . 1 . 2]" 1
91 1 57 SER H 1 57 SER HB3 . . 3.280 2.305 2.243 2.382 . 0 0 "[ . 1 . 2]" 1
92 1 57 SER H 1 57 SER HB2 . . 3.630 3.563 3.534 3.586 . 0 0 "[ . 1 . 2]" 1
93 1 54 CYS HB3 1 57 SER H . . 4.010 3.019 2.787 3.164 . 0 0 "[ . 1 . 2]" 1
94 1 56 ASP HB2 1 57 SER H . . 3.530 2.552 2.440 2.700 . 0 0 "[ . 1 . 2]" 1
95 1 55 PHE H 1 56 ASP H . . 3.750 2.612 2.469 2.786 . 0 0 "[ . 1 . 2]" 1
96 1 56 ASP H 1 57 SER H . . 3.430 2.840 2.696 2.924 . 0 0 "[ . 1 . 2]" 1
97 1 55 PHE HB2 1 56 ASP H . . 3.840 3.710 3.582 3.825 . 0 0 "[ . 1 . 2]" 1
98 1 55 PHE HB3 1 56 ASP H . . 3.490 2.304 2.188 2.621 . 0 0 "[ . 1 . 2]" 1
99 1 56 ASP H 1 56 ASP HB2 . . 3.220 2.329 2.212 2.615 . 0 0 "[ . 1 . 2]" 1
100 1 56 ASP H 1 56 ASP HB3 . . 3.590 3.556 3.513 3.593 0.003 10 0 "[ . 1 . 2]" 1
101 1 54 CYS HA 1 55 PHE H . . 3.170 2.268 2.191 2.349 . 0 0 "[ . 1 . 2]" 1
102 1 55 PHE H 1 55 PHE HB2 . . 3.390 2.679 2.489 2.909 . 0 0 "[ . 1 . 2]" 1
103 1 55 PHE H 1 55 PHE HB3 . . 3.530 2.473 2.266 2.655 . 0 0 "[ . 1 . 2]" 1
104 1 15 LEU MD1 1 55 PHE H . . 4.900 4.598 3.306 4.904 0.004 14 0 "[ . 1 . 2]" 1
105 1 53 ALA HA 1 54 CYS H . . 3.310 2.281 2.148 2.391 . 0 0 "[ . 1 . 2]" 1
106 1 54 CYS H 1 54 CYS HB3 . . 3.620 2.503 2.402 2.653 . 0 0 "[ . 1 . 2]" 1
107 1 54 CYS H 1 54 CYS HB2 . . 3.710 2.622 2.411 2.774 . 0 0 "[ . 1 . 2]" 1
108 1 54 CYS H 1 70 LEU HB3 . . 4.820 4.611 4.248 4.771 . 0 0 "[ . 1 . 2]" 1
109 1 52 ILE MG 1 54 CYS H . . 5.160 4.747 4.331 5.034 . 0 0 "[ . 1 . 2]" 1
110 1 54 CYS H 1 58 LEU MD2 . . 5.500 4.665 4.384 4.976 . 0 0 "[ . 1 . 2]" 1
111 1 16 THR HA 1 53 ALA H . . 4.230 3.087 2.659 3.626 . 0 0 "[ . 1 . 2]" 1
112 1 52 ILE HA 1 53 ALA H . . 3.040 2.184 2.146 2.256 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU HB3 1 53 ALA H . . 3.920 3.065 2.462 3.527 . 0 0 "[ . 1 . 2]" 1
114 1 15 LEU HB2 1 53 ALA H . . 4.520 4.147 3.651 4.467 . 0 0 "[ . 1 . 2]" 1
115 1 52 ILE MG 1 53 ALA H . . 3.480 2.277 2.009 2.634 . 0 0 "[ . 1 . 2]" 1
116 1 51 VAL HA 1 52 ILE H . . 3.240 2.220 2.186 2.264 . 0 0 "[ . 1 . 2]" 1
117 1 51 VAL HB 1 52 ILE H . . 4.130 4.055 3.921 4.145 0.015 6 0 "[ . 1 . 2]" 1
118 1 52 ILE H 1 52 ILE HB . . 3.320 2.538 2.464 2.731 . 0 0 "[ . 1 . 2]" 1
119 1 52 ILE H 1 52 ILE HG13 . . 4.110 2.326 1.940 2.576 . 0 0 "[ . 1 . 2]" 1
120 1 50 ARG HA 1 51 VAL H . . 3.140 2.471 2.407 2.523 . 0 0 "[ . 1 . 2]" 1
121 1 51 VAL H 1 51 VAL HB . . 4.200 3.334 3.162 3.425 . 0 0 "[ . 1 . 2]" 1
122 1 50 ARG HG2 1 51 VAL H . . 3.600 2.001 1.884 2.186 . 0 0 "[ . 1 . 2]" 1
123 1 50 ARG HG3 1 51 VAL H . . 4.800 2.785 2.584 3.075 . 0 0 "[ . 1 . 2]" 1
124 1 16 THR MG 1 51 VAL H . . 4.430 3.951 2.543 4.367 . 0 0 "[ . 1 . 2]" 1
125 1 51 VAL H 1 51 VAL MG2 . . 4.060 3.967 3.918 4.002 . 0 0 "[ . 1 . 2]" 1
126 1 47 GLU H 1 50 ARG H . . 4.030 3.932 3.799 4.036 0.006 1 0 "[ . 1 . 2]" 1
127 1 50 ARG H 1 50 ARG HB3 . . 3.470 3.207 3.175 3.225 . 0 0 "[ . 1 . 2]" 1
128 1 50 ARG H 1 50 ARG HB2 . . 3.550 3.101 3.070 3.128 . 0 0 "[ . 1 . 2]" 1
129 1 50 ARG H 1 50 ARG HG3 . . 4.880 4.660 4.624 4.710 . 0 0 "[ . 1 . 2]" 1
130 1 46 VAL MG1 1 50 ARG H . . 3.630 3.364 3.089 3.618 . 0 0 "[ . 1 . 2]" 1
131 1 46 VAL MG1 1 49 GLY H . . 4.120 3.980 3.895 4.076 . 0 0 "[ . 1 . 2]" 1
132 1 46 VAL HA 1 47 GLU H . . 2.810 2.160 2.144 2.198 . 0 0 "[ . 1 . 2]" 1
133 1 47 GLU H 1 47 GLU HG2 . . 5.420 4.096 2.518 4.683 . 0 0 "[ . 1 . 2]" 1
134 1 47 GLU H 1 47 GLU HG3 . . 5.420 4.022 2.580 4.616 . 0 0 "[ . 1 . 2]" 1
135 1 47 GLU H 1 47 GLU HB2 . . 4.010 2.368 2.216 2.498 . 0 0 "[ . 1 . 2]" 1
136 1 47 GLU H 1 47 GLU HB3 . . 4.010 3.139 2.690 3.616 . 0 0 "[ . 1 . 2]" 1
137 1 47 GLU H 1 51 VAL HB . . 4.340 3.428 3.152 3.751 . 0 0 "[ . 1 . 2]" 1
138 1 46 VAL MG1 1 47 GLU H . . 3.260 2.425 2.301 2.660 . 0 0 "[ . 1 . 2]" 1
139 1 45 GLN HA 1 46 VAL H . . 2.800 2.228 2.140 2.441 . 0 0 "[ . 1 . 2]" 1
140 1 45 GLN HG2 1 46 VAL H . . 4.840 3.295 2.410 4.631 . 0 0 "[ . 1 . 2]" 1
141 1 46 VAL H 1 46 VAL HB . . 3.260 2.634 2.511 2.820 . 0 0 "[ . 1 . 2]" 1
142 1 46 VAL H 1 46 VAL MG2 . . 3.320 2.735 2.493 3.065 . 0 0 "[ . 1 . 2]" 1
143 1 44 CYS HA 1 45 GLN H . . 2.910 2.190 2.140 2.253 . 0 0 "[ . 1 . 2]" 1
144 1 44 CYS HB3 1 45 GLN H . . 4.000 3.154 2.890 3.695 . 0 0 "[ . 1 . 2]" 1
145 1 44 CYS HB2 1 45 GLN H . . 4.440 4.203 4.080 4.414 . 0 0 "[ . 1 . 2]" 1
146 1 45 GLN H 1 45 GLN HG2 . . 5.470 4.379 2.916 4.629 . 0 0 "[ . 1 . 2]" 1
147 1 45 GLN H 1 45 GLN HG3 . . 5.470 4.422 3.117 4.682 . 0 0 "[ . 1 . 2]" 1
148 1 45 GLN H 1 45 GLN HB2 . . 3.530 2.465 2.207 2.794 . 0 0 "[ . 1 . 2]" 1
149 1 45 GLN H 1 68 LYS HB2 . . 4.450 2.917 2.313 4.019 . 0 0 "[ . 1 . 2]" 1
150 1 45 GLN H 1 68 LYS HB3 . . 4.450 4.164 2.919 4.454 0.004 2 0 "[ . 1 . 2]" 1
151 1 45 GLN H 1 46 VAL MG2 . . 5.110 4.698 4.410 4.880 . 0 0 "[ . 1 . 2]" 1
152 1 44 CYS H 1 44 CYS HB3 . . 3.780 3.532 2.837 3.624 . 0 0 "[ . 1 . 2]" 1
153 1 44 CYS H 1 44 CYS HB2 . . 3.250 2.335 2.232 2.528 . 0 0 "[ . 1 . 2]" 1
154 1 38 ALA HA 1 39 HIS H . . 3.100 2.182 2.150 2.247 . 0 0 "[ . 1 . 2]" 1
155 1 20 CYS H 1 38 ALA H . . 4.190 3.532 3.242 3.772 . 0 0 "[ . 1 . 2]" 1
156 1 19 VAL HA 1 38 ALA H . . 3.730 3.613 3.373 3.732 0.002 4 0 "[ . 1 . 2]" 1
157 1 37 PHE HB3 1 38 ALA H . . 4.010 2.353 2.264 2.538 . 0 0 "[ . 1 . 2]" 1
158 1 17 LEU HB3 1 38 ALA H . . 4.910 4.214 3.957 4.683 . 0 0 "[ . 1 . 2]" 1
159 1 19 VAL MG2 1 38 ALA H . . 5.500 5.118 4.965 5.288 . 0 0 "[ . 1 . 2]" 1
160 1 38 ALA H 1 51 VAL MG1 . . 5.500 4.691 4.433 4.974 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU MD1 1 38 ALA H . . 4.790 4.637 4.187 4.792 0.002 7 0 "[ . 1 . 2]" 1
162 1 37 PHE H 1 37 PHE QD . . 4.480 3.100 2.530 3.761 . 0 0 "[ . 1 . 2]" 1
163 1 37 PHE H 1 37 PHE HB2 . . 4.040 2.677 2.462 2.794 . 0 0 "[ . 1 . 2]" 1
164 1 20 CYS HB2 1 37 PHE H . . 4.640 4.498 4.088 4.664 0.024 2 0 "[ . 1 . 2]" 1
165 1 37 PHE H 1 37 PHE HB3 . . 3.870 3.788 3.648 3.867 . 0 0 "[ . 1 . 2]" 1
166 1 35 CYS QB 1 37 PHE H . . 4.110 2.678 2.519 2.854 . 0 0 "[ . 1 . 2]" 1
167 1 36 LYS QB 1 37 PHE H . . 4.160 3.880 3.270 4.049 . 0 0 "[ . 1 . 2]" 1
168 1 37 PHE H 1 76 LEU MD2 . . 4.820 4.222 3.610 4.773 . 0 0 "[ . 1 . 2]" 1
169 1 36 LYS H 1 37 PHE H . . 3.390 2.893 2.461 3.084 . 0 0 "[ . 1 . 2]" 1
170 1 35 CYS HA 1 36 LYS H . . 2.740 2.204 2.163 2.312 . 0 0 "[ . 1 . 2]" 1
171 1 35 CYS QB 1 36 LYS H . . 4.290 3.537 3.295 3.645 . 0 0 "[ . 1 . 2]" 1
172 1 36 LYS H 1 36 LYS QB . . 3.050 2.505 2.145 2.693 . 0 0 "[ . 1 . 2]" 1
173 1 36 LYS H 1 36 LYS HG3 . . 4.010 3.140 1.865 3.967 . 0 0 "[ . 1 . 2]" 1
174 1 36 LYS H 1 36 LYS HG2 . . 4.010 2.900 1.868 4.076 0.066 14 0 "[ . 1 . 2]" 1
175 1 33 GLU H 1 35 CYS H . . 4.350 4.324 4.205 4.362 0.012 3 0 "[ . 1 . 2]" 1
176 1 34 GLU H 1 35 CYS H . . 2.900 2.299 2.157 2.442 . 0 0 "[ . 1 . 2]" 1
177 1 35 CYS H 1 35 CYS QB . . 2.930 2.207 2.143 2.317 . 0 0 "[ . 1 . 2]" 1
178 1 34 GLU QG 1 35 CYS H . . 4.270 3.994 3.123 4.274 0.004 10 0 "[ . 1 . 2]" 1
179 1 34 GLU QB 1 35 CYS H . . 3.590 2.391 2.124 2.612 . 0 0 "[ . 1 . 2]" 1
180 1 33 GLU QG 1 34 GLU H . . 4.600 4.388 2.971 4.638 0.038 16 0 "[ . 1 . 2]" 1
181 1 34 GLU H 1 35 CYS QB . . 4.820 4.082 3.970 4.159 . 0 0 "[ . 1 . 2]" 1
182 1 34 GLU H 1 34 GLU QB . . 3.250 2.342 2.275 2.446 . 0 0 "[ . 1 . 2]" 1
183 1 32 ASP H 1 33 GLU H . . 3.580 2.505 2.335 2.755 . 0 0 "[ . 1 . 2]" 1
184 1 33 GLU H 1 34 GLU H . . 3.330 2.379 2.295 2.445 . 0 0 "[ . 1 . 2]" 1
185 1 32 ASP HB3 1 33 GLU H . . 4.420 3.668 2.613 4.158 . 0 0 "[ . 1 . 2]" 1
186 1 33 GLU H 1 33 GLU QG . . 4.050 3.275 2.215 4.066 0.016 5 0 "[ . 1 . 2]" 1
187 1 33 GLU H 1 33 GLU HB2 . . 3.690 2.485 2.210 3.647 . 0 0 "[ . 1 . 2]" 1
188 1 33 GLU H 1 33 GLU HB3 . . 3.690 3.180 2.473 3.645 . 0 0 "[ . 1 . 2]" 1
189 1 31 SER HA 1 32 ASP H . . 3.100 2.566 2.331 2.645 . 0 0 "[ . 1 . 2]" 1
190 1 31 SER HB2 1 32 ASP H . . 3.840 3.201 2.061 3.776 . 0 0 "[ . 1 . 2]" 1
191 1 31 SER HB3 1 32 ASP H . . 3.840 2.855 1.946 3.805 . 0 0 "[ . 1 . 2]" 1
192 1 32 ASP H 1 32 ASP HB3 . . 3.960 3.214 2.534 3.617 . 0 0 "[ . 1 . 2]" 1
193 1 32 ASP H 1 32 ASP HB2 . . 3.960 2.715 2.216 3.585 . 0 0 "[ . 1 . 2]" 1
194 1 30 ARG HA 1 31 SER H . . 2.790 2.188 2.139 2.344 . 0 0 "[ . 1 . 2]" 1
195 1 31 SER H 1 31 SER HB2 . . 3.820 2.739 2.232 3.605 . 0 0 "[ . 1 . 2]" 1
196 1 31 SER H 1 31 SER HB3 . . 3.820 2.982 2.361 3.590 . 0 0 "[ . 1 . 2]" 1
197 1 31 SER H 1 34 GLU QG . . 3.800 3.540 3.153 3.806 0.006 3 0 "[ . 1 . 2]" 1
198 1 31 SER H 1 34 GLU QB . . 3.290 2.323 1.873 2.642 . 0 0 "[ . 1 . 2]" 1
199 1 30 ARG H 1 30 ARG HG3 . . 3.840 3.239 2.858 3.859 0.019 8 0 "[ . 1 . 2]" 1
200 1 30 ARG H 1 30 ARG HG2 . . 3.840 3.494 2.791 3.866 0.026 15 0 "[ . 1 . 2]" 1
201 1 27 THR HA 1 28 CYS H . . 3.430 2.874 2.803 3.046 . 0 0 "[ . 1 . 2]" 1
202 1 23 PHE HA 1 28 CYS H . . 3.630 3.431 3.219 3.614 . 0 0 "[ . 1 . 2]" 1
203 1 28 CYS H 1 28 CYS HB3 . . 3.320 2.484 2.315 2.594 . 0 0 "[ . 1 . 2]" 1
204 1 28 CYS H 1 28 CYS HB2 . . 3.460 3.137 2.955 3.245 . 0 0 "[ . 1 . 2]" 1
205 1 22 GLN HB3 1 28 CYS H . . 4.010 3.609 3.306 3.969 . 0 0 "[ . 1 . 2]" 1
206 1 27 THR MG 1 28 CYS H . . 4.500 3.898 3.568 4.316 . 0 0 "[ . 1 . 2]" 1
207 1 27 THR H 1 27 THR HB . . 4.130 3.417 2.996 3.805 . 0 0 "[ . 1 . 2]" 1
208 1 23 PHE HA 1 27 THR H . . 4.490 3.676 3.414 4.000 . 0 0 "[ . 1 . 2]" 1
209 1 25 ARG HB3 1 27 THR H . . 4.640 4.340 3.746 4.635 . 0 0 "[ . 1 . 2]" 1
210 1 25 ARG HB2 1 27 THR H . . 4.310 3.155 2.876 3.311 . 0 0 "[ . 1 . 2]" 1
211 1 26 GLY H 1 27 THR H . . 3.350 2.238 2.168 2.375 . 0 0 "[ . 1 . 2]" 1
212 1 25 ARG HB3 1 26 GLY H . . 4.770 3.937 3.681 4.054 . 0 0 "[ . 1 . 2]" 1
213 1 25 ARG HB2 1 26 GLY H . . 4.640 2.932 2.794 3.054 . 0 0 "[ . 1 . 2]" 1
214 1 24 GLN HB2 1 25 ARG H . . 3.880 2.520 2.200 2.760 . 0 0 "[ . 1 . 2]" 1
215 1 25 ARG H 1 25 ARG HB3 . . 3.720 3.594 3.565 3.611 . 0 0 "[ . 1 . 2]" 1
216 1 25 ARG H 1 25 ARG HB2 . . 3.250 2.522 2.347 2.609 . 0 0 "[ . 1 . 2]" 1
217 1 25 ARG H 1 25 ARG HG3 . . 3.800 2.406 1.987 3.607 . 0 0 "[ . 1 . 2]" 1
218 1 25 ARG H 1 25 ARG HG2 . . 3.800 3.304 3.028 3.885 0.085 15 0 "[ . 1 . 2]" 1
219 1 23 PHE H 1 24 GLN H . . 3.740 3.033 2.831 3.152 . 0 0 "[ . 1 . 2]" 1
220 1 24 GLN H 1 25 ARG H . . 3.520 2.957 2.884 3.019 . 0 0 "[ . 1 . 2]" 1
221 1 23 PHE QD 1 24 GLN H . . 4.710 3.277 2.831 3.719 . 0 0 "[ . 1 . 2]" 1
222 1 21 ARG HA 1 24 GLN H . . 4.220 3.842 3.584 4.079 . 0 0 "[ . 1 . 2]" 1
223 1 23 PHE HB3 1 24 GLN H . . 3.800 2.438 2.322 2.697 . 0 0 "[ . 1 . 2]" 1
224 1 23 PHE HB2 1 24 GLN H . . 4.410 3.849 3.763 4.011 . 0 0 "[ . 1 . 2]" 1
225 1 24 GLN H 1 24 GLN HG2 . . 3.880 2.647 2.238 2.978 . 0 0 "[ . 1 . 2]" 1
226 1 24 GLN H 1 24 GLN HB2 . . 3.450 2.346 2.228 2.557 . 0 0 "[ . 1 . 2]" 1
227 1 24 GLN H 1 24 GLN HB3 . . 3.920 3.560 3.519 3.594 . 0 0 "[ . 1 . 2]" 1
228 1 19 VAL MG1 1 24 GLN H . . 4.380 3.489 3.160 3.795 . 0 0 "[ . 1 . 2]" 1
229 1 23 PHE H 1 23 PHE QD . . 4.660 4.191 4.133 4.208 . 0 0 "[ . 1 . 2]" 1
230 1 20 CYS HB3 1 23 PHE H . . 4.190 2.950 2.561 3.278 . 0 0 "[ . 1 . 2]" 1
231 1 23 PHE H 1 23 PHE HB3 . . 3.540 2.490 2.337 2.592 . 0 0 "[ . 1 . 2]" 1
232 1 23 PHE H 1 23 PHE HB2 . . 3.520 2.622 2.527 2.747 . 0 0 "[ . 1 . 2]" 1
233 1 23 PHE H 1 28 CYS HB2 . . 3.850 2.723 2.410 2.954 . 0 0 "[ . 1 . 2]" 1
234 1 22 GLN HB2 1 23 PHE H . . 3.710 2.398 2.195 2.665 . 0 0 "[ . 1 . 2]" 1
235 1 22 GLN H 1 23 PHE H . . 3.440 2.920 2.618 3.089 . 0 0 "[ . 1 . 2]" 1
236 1 21 ARG H 1 22 GLN H . . 3.730 3.042 2.823 3.234 . 0 0 "[ . 1 . 2]" 1
237 1 22 GLN H 1 22 GLN HG2 . . 4.030 3.052 1.957 4.015 . 0 0 "[ . 1 . 2]" 1
238 1 22 GLN H 1 22 GLN HB2 . . 3.180 2.460 2.273 2.635 . 0 0 "[ . 1 . 2]" 1
239 1 21 ARG QB 1 22 GLN H . . 3.580 2.366 2.050 3.456 . 0 0 "[ . 1 . 2]" 1
240 1 20 CYS HA 1 21 ARG H . . 3.240 2.156 2.139 2.180 . 0 0 "[ . 1 . 2]" 1
241 1 21 ARG H 1 21 ARG QB . . 3.510 2.298 2.119 2.882 . 0 0 "[ . 1 . 2]" 1
242 1 20 CYS H 1 20 CYS HB3 . . 3.490 2.522 2.431 2.655 . 0 0 "[ . 1 . 2]" 1
243 1 20 CYS H 1 20 CYS HB2 . . 3.640 2.545 2.406 2.652 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL HB 1 20 CYS H . . 4.630 4.065 3.896 4.180 . 0 0 "[ . 1 . 2]" 1
245 1 18 GLU H 1 19 VAL H . . 4.670 4.509 4.399 4.598 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL H 1 50 ARG HA . . 3.800 2.659 2.250 3.146 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU HA 1 19 VAL H . . 2.940 2.159 2.138 2.219 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU QB 1 19 VAL H . . 4.060 3.405 2.916 3.854 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL H 1 19 VAL MG1 . . 3.990 3.772 3.759 3.789 . 0 0 "[ . 1 . 2]" 1
250 1 18 GLU H 1 18 GLU HG2 . . 4.620 3.985 1.906 4.625 0.005 7 0 "[ . 1 . 2]" 1
251 1 18 GLU H 1 18 GLU QB . . 3.170 2.288 2.162 2.594 . 0 0 "[ . 1 . 2]" 1
252 1 17 LEU HB3 1 18 GLU H . . 3.890 2.891 2.410 3.130 . 0 0 "[ . 1 . 2]" 1
253 1 17 LEU HB2 1 18 GLU H . . 4.550 4.067 3.740 4.231 . 0 0 "[ . 1 . 2]" 1
254 1 16 THR HB 1 17 LEU H . . 4.020 2.743 2.395 3.780 . 0 0 "[ . 1 . 2]" 1
255 1 17 LEU H 1 17 LEU HB3 . . 4.150 3.802 3.654 3.875 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU H 1 17 LEU HB2 . . 4.020 2.736 2.447 2.847 . 0 0 "[ . 1 . 2]" 1
257 1 17 LEU H 1 17 LEU MD2 . . 4.560 4.236 4.140 4.336 . 0 0 "[ . 1 . 2]" 1
258 1 17 LEU H 1 51 VAL MG1 . . 4.380 3.065 2.732 3.322 . 0 0 "[ . 1 . 2]" 1
259 1 15 LEU HA 1 16 THR H . . 3.450 2.731 2.269 2.891 . 0 0 "[ . 1 . 2]" 1
260 1 15 LEU HB3 1 16 THR H . . 4.880 4.362 4.034 4.452 . 0 0 "[ . 1 . 2]" 1
261 1 15 LEU MD1 1 16 THR H . . 5.500 5.550 5.499 5.610 0.110 5 0 "[ . 1 . 2]" 1
262 1 16 THR H 1 52 ILE MG . . 5.500 4.966 4.491 5.313 . 0 0 "[ . 1 . 2]" 1
263 1 15 LEU H 1 15 LEU HG . . 4.790 2.953 2.506 3.292 . 0 0 "[ . 1 . 2]" 1
264 1 14 TRP H 1 14 TRP HD1 . . 3.850 2.075 1.897 2.439 . 0 0 "[ . 1 . 2]" 1
265 1 12 THR HA 1 14 TRP H . . 3.930 3.741 3.232 3.930 . 0 0 "[ . 1 . 2]" 1
266 1 14 TRP H 1 14 TRP QB . . 3.490 2.598 2.393 2.774 . 0 0 "[ . 1 . 2]" 1
267 1 14 TRP H 1 15 LEU HB2 . . 4.990 4.436 4.020 4.851 . 0 0 "[ . 1 . 2]" 1
268 1 82 ILE H 1 83 ASN H . . 4.070 2.912 2.547 3.176 . 0 0 "[ . 1 . 2]" 1
269 1 62 CYS HA 1 64 ARG H . . 4.640 4.353 4.014 4.559 . 0 0 "[ . 1 . 2]" 1
270 1 58 LEU HB2 1 59 LYS H . . 4.430 2.539 2.454 2.735 . 0 0 "[ . 1 . 2]" 1
271 1 51 VAL H 1 52 ILE H . . 4.720 4.307 4.229 4.381 . 0 0 "[ . 1 . 2]" 1
272 1 16 THR HB 1 51 VAL H . . 5.340 4.196 3.529 5.056 . 0 0 "[ . 1 . 2]" 1
273 1 30 ARG H 1 35 CYS QB . . 4.450 4.258 4.000 4.449 . 0 0 "[ . 1 . 2]" 1
274 1 25 ARG H 1 27 THR H . . 4.690 4.072 3.877 4.257 . 0 0 "[ . 1 . 2]" 1
275 1 22 GLN H 1 28 CYS HB2 . . 4.620 4.445 4.211 4.596 . 0 0 "[ . 1 . 2]" 1
276 1 42 LYS H 1 42 LYS QG . . 4.930 3.299 2.194 4.049 . 0 0 "[ . 1 . 2]" 1
277 1 14 TRP H 1 15 LEU H . . 4.300 2.486 2.095 2.832 . 0 0 "[ . 1 . 2]" 1
278 1 13 LYS H 1 14 TRP H . . 4.980 2.314 2.054 2.625 . 0 0 "[ . 1 . 2]" 1
279 1 82 ILE HB 1 83 ASN H . . 4.500 2.504 2.087 2.738 . 0 0 "[ . 1 . 2]" 1
280 1 82 ILE MG 1 83 ASN H . . 4.170 3.255 2.968 3.510 . 0 0 "[ . 1 . 2]" 1
281 1 55 PHE H 1 55 PHE QD . . 5.200 4.167 4.015 4.228 . 0 0 "[ . 1 . 2]" 1
282 1 52 ILE HB 1 53 ALA H . . 5.040 4.039 3.667 4.235 . 0 0 "[ . 1 . 2]" 1
283 1 28 CYS HB3 1 30 ARG H . . 5.080 4.051 3.811 4.236 . 0 0 "[ . 1 . 2]" 1
284 1 70 LEU HB2 1 71 HIS H . . 4.890 3.754 3.661 3.883 . 0 0 "[ . 1 . 2]" 1
285 1 24 GLN HE22 1 46 VAL MG1 . . 4.320 2.953 2.310 3.569 . 0 0 "[ . 1 . 2]" 1
286 1 15 LEU HB2 1 16 THR H . . 4.870 4.261 4.121 4.546 . 0 0 "[ . 1 . 2]" 1
287 1 54 CYS HB2 1 69 TYR H . . 4.600 4.134 3.802 4.450 . 0 0 "[ . 1 . 2]" 1
288 1 67 CYS QB 1 69 TYR H . . 4.780 3.355 3.082 3.842 . 0 0 "[ . 1 . 2]" 1
289 1 54 CYS H 1 70 LEU H . . 4.210 3.959 3.576 4.167 . 0 0 "[ . 1 . 2]" 1
290 1 44 CYS HB3 1 70 LEU H . . 5.190 3.513 3.037 4.848 . 0 0 "[ . 1 . 2]" 1
291 1 54 CYS HB2 1 70 LEU H . . 5.500 4.294 4.035 4.502 . 0 0 "[ . 1 . 2]" 1
292 1 68 LYS HB3 1 69 TYR H . . 4.830 4.492 4.026 4.622 . 0 0 "[ . 1 . 2]" 1
293 1 31 SER H 1 34 GLU H . . 5.250 3.950 3.574 4.181 . 0 0 "[ . 1 . 2]" 1
294 1 30 ARG H 1 31 SER H . . 4.670 4.413 4.214 4.528 . 0 0 "[ . 1 . 2]" 1
295 1 32 ASP HB2 1 33 GLU H . . 4.420 3.268 2.772 3.928 . 0 0 "[ . 1 . 2]" 1
296 1 28 CYS HA 1 30 ARG H . . 4.700 3.602 3.414 3.763 . 0 0 "[ . 1 . 2]" 1
297 1 28 CYS HB2 1 30 ARG H . . 4.990 4.469 4.249 4.638 . 0 0 "[ . 1 . 2]" 1
298 1 80 LEU HG 1 81 GLU H . . 4.870 4.394 4.265 4.527 . 0 0 "[ . 1 . 2]" 1
299 1 76 LEU MD2 1 79 GLN H . . 4.950 4.415 4.173 4.803 . 0 0 "[ . 1 . 2]" 1
300 1 78 THR H 1 80 LEU MD1 . . 5.440 5.127 4.919 5.337 . 0 0 "[ . 1 . 2]" 1
301 1 68 LYS HG3 1 69 TYR H . . 4.940 4.057 2.573 4.835 . 0 0 "[ . 1 . 2]" 1
302 1 68 LYS HG2 1 69 TYR H . . 4.940 4.049 3.173 4.939 . 0 0 "[ . 1 . 2]" 1
303 1 54 CYS H 1 69 TYR HB3 . . 4.650 2.954 2.555 3.339 . 0 0 "[ . 1 . 2]" 1
304 1 43 SER H 1 44 CYS H . . 4.140 2.723 2.589 2.843 . 0 0 "[ . 1 . 2]" 1
305 1 23 PHE HA 1 26 GLY H . . 4.400 3.302 3.147 3.480 . 0 0 "[ . 1 . 2]" 1
306 1 20 CYS H 1 21 ARG H . . 5.200 4.403 4.317 4.592 . 0 0 "[ . 1 . 2]" 1
307 1 76 LEU H 1 76 LEU MD1 . . 4.330 3.978 3.862 4.086 . 0 0 "[ . 1 . 2]" 1
308 1 52 ILE H 1 53 ALA H . . 5.020 4.539 4.465 4.585 . 0 0 "[ . 1 . 2]" 1
309 1 21 ARG HA 1 25 ARG H . . 5.170 4.791 4.503 4.993 . 0 0 "[ . 1 . 2]" 1
310 1 23 PHE HA 1 25 ARG H . . 5.500 4.631 4.327 4.880 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLN H 1 24 GLN H . . 4.570 4.500 4.131 4.572 0.002 12 0 "[ . 1 . 2]" 1
312 1 17 LEU H 1 50 ARG HG2 . . 5.190 2.832 2.536 3.575 . 0 0 "[ . 1 . 2]" 1
313 1 12 THR HA 1 15 LEU H . . 5.500 3.458 2.890 4.122 . 0 0 "[ . 1 . 2]" 1
314 1 39 HIS H 1 39 HIS HD2 . . 5.310 3.450 3.204 3.637 . 0 0 "[ . 1 . 2]" 1
315 1 64 ARG HB2 1 67 CYS H . . 4.620 3.784 3.265 4.048 . 0 0 "[ . 1 . 2]" 1
316 1 58 LEU HB3 1 59 LYS H . . 4.360 3.651 3.528 3.794 . 0 0 "[ . 1 . 2]" 1
317 1 59 LYS H 1 59 LYS QD . . 4.820 3.650 1.783 4.300 . 0 0 "[ . 1 . 2]" 1
318 1 56 ASP HB3 1 57 SER H . . 3.980 3.249 3.095 3.558 . 0 0 "[ . 1 . 2]" 1
319 1 57 SER H 1 62 CYS HB2 . . 4.130 3.242 3.110 3.394 . 0 0 "[ . 1 . 2]" 1
320 1 54 CYS HB2 1 55 PHE H . . 4.690 3.982 3.902 4.114 . 0 0 "[ . 1 . 2]" 1
321 1 49 GLY H 1 50 ARG H . . 4.110 2.762 2.727 2.776 . 0 0 "[ . 1 . 2]" 1
322 1 45 GLN H 1 45 GLN HB3 . . 3.530 2.700 2.363 3.512 . 0 0 "[ . 1 . 2]" 1
323 1 82 ILE HA 1 82 ILE HG12 . . 4.050 2.573 2.344 2.696 . 0 0 "[ . 1 . 2]" 1
324 1 82 ILE HA 1 82 ILE HG13 . . 4.050 2.867 2.735 3.002 . 0 0 "[ . 1 . 2]" 1
325 1 82 ILE HA 1 82 ILE MG . . 3.100 2.433 2.321 2.534 . 0 0 "[ . 1 . 2]" 1
326 1 79 GLN HA 1 82 ILE MD . . 4.320 2.176 1.904 2.527 . 0 0 "[ . 1 . 2]" 1
327 1 82 ILE HB 1 82 ILE MD . . 3.460 2.330 2.193 2.516 . 0 0 "[ . 1 . 2]" 1
328 1 80 LEU HA 1 80 LEU HG . . 3.740 2.929 2.844 3.091 . 0 0 "[ . 1 . 2]" 1
329 1 77 LYS HA 1 80 LEU HB2 . . 4.320 3.364 3.010 3.649 . 0 0 "[ . 1 . 2]" 1
330 1 15 LEU H 1 80 LEU MD2 . . 4.810 4.296 3.747 4.638 . 0 0 "[ . 1 . 2]" 1
331 1 16 THR H 1 80 LEU MD2 . . 4.980 2.796 2.327 3.265 . 0 0 "[ . 1 . 2]" 1
332 1 80 LEU H 1 80 LEU MD2 . . 4.230 3.585 3.215 3.881 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU HA 1 80 LEU MD2 . . 2.940 2.142 1.938 2.437 . 0 0 "[ . 1 . 2]" 1
334 1 15 LEU HB3 1 80 LEU MD2 . . 4.080 3.906 3.578 4.088 0.008 2 0 "[ . 1 . 2]" 1
335 1 80 LEU HB3 1 80 LEU MD2 . . 3.230 2.253 2.140 2.340 . 0 0 "[ . 1 . 2]" 1
336 1 15 LEU MD2 1 80 LEU MD2 . . 4.110 2.960 2.183 3.545 . 0 0 "[ . 1 . 2]" 1
337 1 79 GLN HA 1 82 ILE HB . . 4.160 2.870 2.250 3.463 . 0 0 "[ . 1 . 2]" 1
338 1 79 GLN HB2 1 80 LEU H . . 4.580 2.933 2.382 4.119 . 0 0 "[ . 1 . 2]" 1
339 1 79 GLN HA 1 79 GLN HG2 . . 3.950 2.878 2.242 3.678 . 0 0 "[ . 1 . 2]" 1
340 1 79 GLN HA 1 79 GLN HG3 . . 3.950 2.945 2.241 3.806 . 0 0 "[ . 1 . 2]" 1
341 1 78 THR HA 1 81 GLU QB . . 3.800 3.084 2.277 3.791 . 0 0 "[ . 1 . 2]" 1
342 1 77 LYS HA 1 80 LEU H . . 4.400 3.580 3.445 3.720 . 0 0 "[ . 1 . 2]" 1
343 1 77 LYS HA 1 80 LEU HG . . 4.060 3.288 2.740 3.603 . 0 0 "[ . 1 . 2]" 1
344 1 77 LYS HA 1 77 LYS HG3 . . 3.740 2.784 2.409 3.196 . 0 0 "[ . 1 . 2]" 1
345 1 77 LYS HA 1 77 LYS HG2 . . 3.740 2.530 2.171 3.621 . 0 0 "[ . 1 . 2]" 1
346 1 77 LYS HA 1 80 LEU MD1 . . 3.370 2.202 2.012 2.432 . 0 0 "[ . 1 . 2]" 1
347 1 74 THR HA 1 77 LYS HB2 . . 4.370 2.367 2.119 3.550 . 0 0 "[ . 1 . 2]" 1
348 1 74 THR HA 1 77 LYS QD . . 3.850 3.117 1.991 3.857 0.007 12 0 "[ . 1 . 2]" 1
349 1 58 LEU MD2 1 77 LYS QD . . 3.890 2.446 1.880 3.306 . 0 0 "[ . 1 . 2]" 1
350 1 76 LEU HA 1 79 GLN H . . 4.570 3.442 3.270 3.587 . 0 0 "[ . 1 . 2]" 1
351 1 72 PRO HB3 1 76 LEU HB3 . . 4.240 3.802 3.229 4.026 . 0 0 "[ . 1 . 2]" 1
352 1 72 PRO HB3 1 76 LEU HB2 . . 4.170 4.100 3.827 4.203 0.033 16 0 "[ . 1 . 2]" 1
353 1 76 LEU MD2 1 77 LYS H . . 4.900 4.612 4.480 4.706 . 0 0 "[ . 1 . 2]" 1
354 1 75 HIS HD2 1 76 LEU MD2 . . 4.030 2.560 2.314 3.045 . 0 0 "[ . 1 . 2]" 1
355 1 76 LEU HA 1 76 LEU MD2 . . 2.940 1.963 1.920 2.038 . 0 0 "[ . 1 . 2]" 1
356 1 36 LYS HA 1 76 LEU MD2 . . 4.070 3.390 2.747 3.925 . 0 0 "[ . 1 . 2]" 1
357 1 76 LEU MD2 1 79 GLN HG2 . . 4.980 4.154 3.180 4.980 . 0 0 "[ . 1 . 2]" 1
358 1 76 LEU MD2 1 79 GLN HB2 . . 4.980 3.631 2.959 4.833 . 0 0 "[ . 1 . 2]" 1
359 1 76 LEU HB2 1 76 LEU MD2 . . 3.620 3.185 3.177 3.194 . 0 0 "[ . 1 . 2]" 1
360 1 76 LEU HB3 1 76 LEU MD2 . . 3.420 2.368 2.330 2.418 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU MD1 1 76 LEU MD2 . . 4.070 3.716 2.899 4.037 . 0 0 "[ . 1 . 2]" 1
362 1 39 HIS H 1 76 LEU MD1 . . 4.890 4.672 4.436 4.893 0.003 11 0 "[ . 1 . 2]" 1
363 1 38 ALA H 1 76 LEU MD1 . . 4.400 3.277 2.819 3.946 . 0 0 "[ . 1 . 2]" 1
364 1 75 HIS HE1 1 76 LEU MD1 . . 4.270 3.995 3.721 4.262 . 0 0 "[ . 1 . 2]" 1
365 1 38 ALA HA 1 76 LEU MD1 . . 3.450 2.997 2.796 3.219 . 0 0 "[ . 1 . 2]" 1
366 1 73 PRO HD2 1 76 LEU MD1 . . 3.870 1.847 1.789 1.947 . 0 0 "[ . 1 . 2]" 1
367 1 73 PRO HG3 1 76 LEU MD1 . . 4.290 2.348 2.167 2.576 . 0 0 "[ . 1 . 2]" 1
368 1 73 PRO HG2 1 76 LEU MD1 . . 4.290 2.246 2.083 2.464 . 0 0 "[ . 1 . 2]" 1
369 1 76 LEU HB2 1 76 LEU MD1 . . 3.210 2.407 2.315 2.472 . 0 0 "[ . 1 . 2]" 1
370 1 76 LEU HB3 1 76 LEU MD1 . . 3.210 2.240 2.184 2.355 . 0 0 "[ . 1 . 2]" 1
371 1 17 LEU MD1 1 76 LEU MD1 . . 3.300 2.758 2.321 3.107 . 0 0 "[ . 1 . 2]" 1
372 1 74 THR HB 1 75 HIS HA . . 4.240 4.000 3.905 4.104 . 0 0 "[ . 1 . 2]" 1
373 1 74 THR MG 1 75 HIS HA . . 3.890 3.665 3.320 3.882 . 0 0 "[ . 1 . 2]" 1
374 1 23 PHE QD 1 28 CYS HB3 . . 4.110 3.491 3.214 3.826 . 0 0 "[ . 1 . 2]" 1
375 1 54 CYS HB3 1 71 HIS HA . . 4.120 3.201 3.074 3.314 . 0 0 "[ . 1 . 2]" 1
376 1 70 LEU HA 1 71 HIS H . . 3.240 2.277 2.240 2.336 . 0 0 "[ . 1 . 2]" 1
377 1 70 LEU HA 1 70 LEU HG . . 3.950 3.246 3.201 3.312 . 0 0 "[ . 1 . 2]" 1
378 1 70 LEU HA 1 70 LEU MD2 . . 4.350 3.998 3.963 4.015 . 0 0 "[ . 1 . 2]" 1
379 1 70 LEU MD1 1 71 HIS H . . 3.740 2.131 1.970 2.245 . 0 0 "[ . 1 . 2]" 1
380 1 70 LEU H 1 70 LEU MD1 . . 4.410 4.285 4.235 4.336 . 0 0 "[ . 1 . 2]" 1
381 1 40 PRO HA 1 70 LEU MD1 . . 3.050 1.960 1.910 2.215 . 0 0 "[ . 1 . 2]" 1
382 1 70 LEU HA 1 70 LEU MD1 . . 3.230 2.315 2.209 2.425 . 0 0 "[ . 1 . 2]" 1
383 1 41 PRO HD3 1 70 LEU MD1 . . 3.480 2.195 1.953 2.630 . 0 0 "[ . 1 . 2]" 1
384 1 41 PRO HD2 1 70 LEU MD1 . . 3.480 2.482 2.169 2.911 . 0 0 "[ . 1 . 2]" 1
385 1 40 PRO HB2 1 70 LEU MD1 . . 4.610 4.189 3.935 4.347 . 0 0 "[ . 1 . 2]" 1
386 1 40 PRO HB3 1 70 LEU MD1 . . 3.560 3.393 2.969 3.517 . 0 0 "[ . 1 . 2]" 1
387 1 70 LEU HB2 1 70 LEU MD1 . . 3.300 2.250 2.169 2.318 . 0 0 "[ . 1 . 2]" 1
388 1 54 CYS HB2 1 69 TYR HB3 . . 3.980 2.528 2.122 3.228 . 0 0 "[ . 1 . 2]" 1
389 1 64 ARG HB2 1 67 CYS HA . . 4.530 3.309 2.981 3.620 . 0 0 "[ . 1 . 2]" 1
390 1 64 ARG HB3 1 67 CYS QB . . 4.000 2.581 2.164 3.028 . 0 0 "[ . 1 . 2]" 1
391 1 65 GLU QB 1 66 ASN HA . . 4.300 3.996 3.860 4.240 . 0 0 "[ . 1 . 2]" 1
392 1 64 ARG HA 1 64 ARG HG3 . . 3.930 3.327 2.534 3.773 . 0 0 "[ . 1 . 2]" 1
393 1 64 ARG HB2 1 67 CYS QB . . 4.000 2.280 1.992 2.701 . 0 0 "[ . 1 . 2]" 1
394 1 64 ARG HA 1 64 ARG HG2 . . 3.930 2.526 2.196 2.829 . 0 0 "[ . 1 . 2]" 1
395 1 64 ARG H 1 64 ARG HG3 . . 4.080 2.883 2.045 3.664 . 0 0 "[ . 1 . 2]" 1
396 1 57 SER H 1 62 CYS HB3 . . 5.080 4.949 4.820 5.081 0.001 2 0 "[ . 1 . 2]" 1
397 1 62 CYS HB3 1 71 HIS HE1 . . 3.960 2.104 1.995 2.250 . 0 0 "[ . 1 . 2]" 1
398 1 57 SER HA 1 62 CYS HB3 . . 4.350 4.282 4.170 4.355 0.005 2 0 "[ . 1 . 2]" 1
399 1 57 SER HB3 1 62 CYS HB3 . . 4.870 4.758 4.632 4.875 0.005 6 0 "[ . 1 . 2]" 1
400 1 61 ARG HA 1 61 ARG QD . . 4.640 3.150 2.013 4.412 . 0 0 "[ . 1 . 2]" 1
401 1 61 ARG HA 1 61 ARG HG2 . . 4.250 2.937 2.263 3.798 . 0 0 "[ . 1 . 2]" 1
402 1 61 ARG HA 1 61 ARG HG3 . . 4.250 3.251 2.320 4.246 . 0 0 "[ . 1 . 2]" 1
403 1 59 LYS HA 1 59 LYS QD . . 3.510 2.456 1.988 3.369 . 0 0 "[ . 1 . 2]" 1
404 1 58 LEU H 1 58 LEU MD2 . . 4.080 3.165 2.882 3.406 . 0 0 "[ . 1 . 2]" 1
405 1 58 LEU MD2 1 72 PRO HD3 . . 4.570 4.512 4.270 4.573 0.003 16 0 "[ . 1 . 2]" 1
406 1 58 LEU HA 1 58 LEU MD2 . . 2.970 2.106 1.968 2.379 . 0 0 "[ . 1 . 2]" 1
407 1 58 LEU MD2 1 77 LYS HA . . 3.830 3.666 3.250 3.835 0.005 10 0 "[ . 1 . 2]" 1
408 1 58 LEU MD2 1 72 PRO HG3 . . 3.690 3.512 3.086 3.693 0.003 2 0 "[ . 1 . 2]" 1
409 1 58 LEU HB3 1 58 LEU MD2 . . 3.240 2.298 2.150 2.415 . 0 0 "[ . 1 . 2]" 1
410 1 57 SER HA 1 62 CYS HB2 . . 4.230 2.790 2.698 2.880 . 0 0 "[ . 1 . 2]" 1
411 1 54 CYS HB3 1 57 SER HB2 . . 4.430 3.367 3.278 3.484 . 0 0 "[ . 1 . 2]" 1
412 1 57 SER HB2 1 71 HIS HB2 . . 4.900 3.720 3.604 3.891 . 0 0 "[ . 1 . 2]" 1
413 1 57 SER HB3 1 58 LEU H . . 4.470 3.774 3.608 3.937 . 0 0 "[ . 1 . 2]" 1
414 1 54 CYS HB3 1 57 SER HB3 . . 4.030 2.052 1.996 2.203 . 0 0 "[ . 1 . 2]" 1
415 1 55 PHE QD 1 56 ASP HA . . 4.390 3.321 2.380 4.308 . 0 0 "[ . 1 . 2]" 1
416 1 56 ASP HA 1 59 LYS H . . 4.910 3.457 3.344 3.573 . 0 0 "[ . 1 . 2]" 1
417 1 80 LEU HB3 1 81 GLU HA . . 4.500 4.273 4.110 4.395 . 0 0 "[ . 1 . 2]" 1
418 1 56 ASP HB2 1 62 CYS HA . . 4.370 2.951 2.567 3.141 . 0 0 "[ . 1 . 2]" 1
419 1 55 PHE HA 1 55 PHE QD . . 3.700 2.709 2.074 3.207 . 0 0 "[ . 1 . 2]" 1
420 1 55 PHE HA 1 58 LEU HG . . 3.870 2.749 2.476 2.995 . 0 0 "[ . 1 . 2]" 1
421 1 15 LEU MD2 1 55 PHE HA . . 4.170 3.315 2.901 3.583 . 0 0 "[ . 1 . 2]" 1
422 1 54 CYS HA 1 69 TYR HB2 . . 3.860 2.682 2.044 3.142 . 0 0 "[ . 1 . 2]" 1
423 1 54 CYS HA 1 69 TYR HB3 . . 3.860 2.385 2.029 2.660 . 0 0 "[ . 1 . 2]" 1
424 1 53 ALA HA 1 70 LEU H . . 4.070 3.370 3.048 3.823 . 0 0 "[ . 1 . 2]" 1
425 1 53 ALA HA 1 70 LEU HB3 . . 3.840 3.412 2.911 3.688 . 0 0 "[ . 1 . 2]" 1
426 1 53 ALA HA 1 70 LEU HB2 . . 5.340 5.055 4.587 5.332 . 0 0 "[ . 1 . 2]" 1
427 1 17 LEU MD1 1 53 ALA HA . . 4.990 4.067 3.540 4.624 . 0 0 "[ . 1 . 2]" 1
428 1 53 ALA MB 1 54 CYS H . . 3.620 2.719 2.450 3.137 . 0 0 "[ . 1 . 2]" 1
429 1 53 ALA H 1 53 ALA MB . . 3.080 2.207 2.083 2.329 . 0 0 "[ . 1 . 2]" 1
430 1 15 LEU HA 1 53 ALA MB . . 3.790 3.479 3.159 3.793 0.003 20 0 "[ . 1 . 2]" 1
431 1 15 LEU HB3 1 53 ALA MB . . 3.640 3.060 2.683 3.396 . 0 0 "[ . 1 . 2]" 1
432 1 53 ALA MB 1 72 PRO HG2 . . 3.610 3.132 2.821 3.429 . 0 0 "[ . 1 . 2]" 1
433 1 53 ALA MB 1 72 PRO HB3 . . 4.390 3.396 3.207 3.578 . 0 0 "[ . 1 . 2]" 1
434 1 53 ALA MB 1 80 LEU MD2 . . 3.390 2.853 2.275 3.389 . 0 0 "[ . 1 . 2]" 1
435 1 17 LEU MD1 1 53 ALA MB . . 2.820 2.281 1.940 2.613 . 0 0 "[ . 1 . 2]" 1
436 1 53 ALA MB 1 80 LEU MD1 . . 3.170 2.522 2.140 2.953 . 0 0 "[ . 1 . 2]" 1
437 1 16 THR MG 1 52 ILE HA . . 3.450 2.806 1.986 3.310 . 0 0 "[ . 1 . 2]" 1
438 1 52 ILE HA 1 52 ILE HG12 . . 4.070 2.647 2.501 2.852 . 0 0 "[ . 1 . 2]" 1
439 1 52 ILE HA 1 52 ILE MG . . 3.220 2.343 2.177 2.434 . 0 0 "[ . 1 . 2]" 1
440 1 52 ILE H 1 52 ILE HG12 . . 4.110 3.661 3.387 3.907 . 0 0 "[ . 1 . 2]" 1
441 1 52 ILE HA 1 52 ILE HG13 . . 4.070 2.942 2.778 3.099 . 0 0 "[ . 1 . 2]" 1
442 1 52 ILE H 1 52 ILE MG . . 4.280 3.787 3.770 3.809 . 0 0 "[ . 1 . 2]" 1
443 1 52 ILE MG 1 69 TYR QD . . 3.590 2.367 1.965 2.972 . 0 0 "[ . 1 . 2]" 1
444 1 15 LEU HB3 1 52 ILE MG . . 3.590 2.908 2.170 3.417 . 0 0 "[ . 1 . 2]" 1
445 1 15 LEU HB2 1 52 ILE MG . . 3.920 3.020 2.533 3.517 . 0 0 "[ . 1 . 2]" 1
446 1 16 THR MG 1 52 ILE MG . . 4.190 3.334 2.818 3.744 . 0 0 "[ . 1 . 2]" 1
447 1 52 ILE MG 1 53 ALA MB . . 4.460 3.648 3.531 3.769 . 0 0 "[ . 1 . 2]" 1
448 1 52 ILE H 1 52 ILE MD . . 4.090 3.572 3.361 3.798 . 0 0 "[ . 1 . 2]" 1
449 1 52 ILE MD 1 69 TYR QD . . 4.330 3.773 3.281 4.330 . 0 0 "[ . 1 . 2]" 1
450 1 52 ILE MD 1 69 TYR QE . . 3.760 2.747 2.166 3.283 . 0 0 "[ . 1 . 2]" 1
451 1 52 ILE HA 1 52 ILE MD . . 4.000 3.876 3.812 3.971 . 0 0 "[ . 1 . 2]" 1
452 1 52 ILE HB 1 52 ILE MD . . 3.310 2.292 2.217 2.442 . 0 0 "[ . 1 . 2]" 1
453 1 16 THR MG 1 52 ILE MD . . 4.150 3.769 3.557 4.087 . 0 0 "[ . 1 . 2]" 1
454 1 51 VAL MG2 1 52 ILE H . . 3.510 2.033 1.873 2.344 . 0 0 "[ . 1 . 2]" 1
455 1 51 VAL HA 1 51 VAL MG2 . . 3.440 2.315 2.165 2.452 . 0 0 "[ . 1 . 2]" 1
456 1 46 VAL HA 1 51 VAL MG2 . . 4.510 2.544 2.100 2.749 . 0 0 "[ . 1 . 2]" 1
457 1 44 CYS HB3 1 51 VAL MG2 . . 3.810 3.717 3.470 3.810 . 0 0 "[ . 1 . 2]" 1
458 1 51 VAL MG2 1 70 LEU HB2 . . 3.400 2.953 2.381 3.379 . 0 0 "[ . 1 . 2]" 1
459 1 51 VAL H 1 51 VAL MG1 . . 3.390 2.323 2.124 2.549 . 0 0 "[ . 1 . 2]" 1
460 1 51 VAL HA 1 51 VAL MG1 . . 3.450 3.196 3.179 3.203 . 0 0 "[ . 1 . 2]" 1
461 1 46 VAL HA 1 51 VAL MG1 . . 4.740 4.640 4.497 4.741 0.001 15 0 "[ . 1 . 2]" 1
462 1 40 PRO HB3 1 51 VAL MG1 . . 3.750 3.271 2.974 3.605 . 0 0 "[ . 1 . 2]" 1
463 1 40 PRO HG3 1 51 VAL MG1 . . 3.500 2.786 2.542 3.127 . 0 0 "[ . 1 . 2]" 1
464 1 17 LEU HB2 1 51 VAL MG1 . . 3.450 2.690 2.320 3.130 . 0 0 "[ . 1 . 2]" 1
465 1 38 ALA MB 1 51 VAL MG1 . . 3.250 2.633 2.367 2.884 . 0 0 "[ . 1 . 2]" 1
466 1 18 GLU HA 1 50 ARG HA . . 3.630 3.078 2.667 3.565 . 0 0 "[ . 1 . 2]" 1
467 1 50 ARG HA 1 50 ARG HG2 . . 3.780 2.980 2.780 3.131 . 0 0 "[ . 1 . 2]" 1
468 1 50 ARG HA 1 50 ARG HG3 . . 3.950 2.276 2.178 2.406 . 0 0 "[ . 1 . 2]" 1
469 1 50 ARG HB2 1 51 VAL H . . 4.100 3.906 3.842 3.984 . 0 0 "[ . 1 . 2]" 1
470 1 49 GLY HA3 1 50 ARG HB2 . . 4.290 4.226 4.189 4.291 0.001 15 0 "[ . 1 . 2]" 1
471 1 16 THR MG 1 50 ARG HB2 . . 5.070 4.755 3.881 5.030 . 0 0 "[ . 1 . 2]" 1
472 1 50 ARG HB3 1 51 VAL H . . 4.520 3.062 2.938 3.224 . 0 0 "[ . 1 . 2]" 1
473 1 18 GLU HA 1 50 ARG HG3 . . 3.920 2.695 2.075 2.917 . 0 0 "[ . 1 . 2]" 1
474 1 50 ARG H 1 50 ARG HG2 . . 5.020 4.860 4.790 4.932 . 0 0 "[ . 1 . 2]" 1
475 1 16 THR MG 1 50 ARG HG2 . . 3.760 2.887 1.832 3.330 . 0 0 "[ . 1 . 2]" 1
476 1 50 ARG HB3 1 50 ARG HD2 . . 3.870 2.820 2.425 3.880 0.010 6 0 "[ . 1 . 2]" 1
477 1 19 VAL HB 1 49 GLY HA2 . . 4.620 3.893 3.187 4.515 . 0 0 "[ . 1 . 2]" 1
478 1 19 VAL MG2 1 49 GLY HA2 . . 4.850 4.056 3.635 4.683 . 0 0 "[ . 1 . 2]" 1
479 1 46 VAL HA 1 51 VAL HA . . 4.120 3.100 2.745 3.376 . 0 0 "[ . 1 . 2]" 1
480 1 46 VAL HA 1 46 VAL MG1 . . 3.150 2.398 2.279 2.462 . 0 0 "[ . 1 . 2]" 1
481 1 46 VAL HA 1 46 VAL MG2 . . 3.360 2.366 2.247 2.468 . 0 0 "[ . 1 . 2]" 1
482 1 45 GLN HA 1 46 VAL HB . . 4.720 4.587 4.500 4.670 . 0 0 "[ . 1 . 2]" 1
483 1 45 GLN HA 1 46 VAL MG2 . . 4.010 3.559 3.294 3.861 . 0 0 "[ . 1 . 2]" 1
484 1 40 PRO HG3 1 46 VAL MG2 . . 3.750 2.456 2.034 2.979 . 0 0 "[ . 1 . 2]" 1
485 1 24 GLN HE21 1 46 VAL MG1 . . 4.320 3.373 2.637 4.042 . 0 0 "[ . 1 . 2]" 1
486 1 46 VAL MG1 1 49 GLY HA2 . . 4.870 4.566 4.436 4.745 . 0 0 "[ . 1 . 2]" 1
487 1 45 GLN HG3 1 46 VAL H . . 4.840 3.299 1.952 4.922 0.082 2 0 "[ . 1 . 2]" 1
488 1 40 PRO HB3 1 44 CYS HB2 . . 4.120 3.904 3.632 4.103 . 0 0 "[ . 1 . 2]" 1
489 1 44 CYS HB2 1 51 VAL MG2 . . 5.230 4.536 4.180 4.845 . 0 0 "[ . 1 . 2]" 1
490 1 44 CYS HB2 1 70 LEU MD1 . . 5.500 4.139 3.794 4.666 . 0 0 "[ . 1 . 2]" 1
491 1 44 CYS HB2 1 46 VAL MG2 . . 4.740 4.211 3.805 4.787 0.047 2 0 "[ . 1 . 2]" 1
492 1 40 PRO HB2 1 44 CYS HB3 . . 3.960 3.399 1.991 3.922 . 0 0 "[ . 1 . 2]" 1
493 1 40 PRO HB3 1 44 CYS HB3 . . 4.270 3.714 3.330 4.055 . 0 0 "[ . 1 . 2]" 1
494 1 44 CYS HB3 1 46 VAL MG2 . . 4.740 4.134 3.285 4.395 . 0 0 "[ . 1 . 2]" 1
495 1 21 ARG HA 1 24 GLN HB2 . . 3.870 3.233 3.024 3.432 . 0 0 "[ . 1 . 2]" 1
496 1 21 ARG HA 1 24 GLN HB3 . . 4.830 4.784 4.600 4.842 0.012 13 0 "[ . 1 . 2]" 1
497 1 19 VAL MG1 1 21 ARG HA . . 4.660 4.155 3.913 4.591 . 0 0 "[ . 1 . 2]" 1
498 1 42 LYS QB 1 43 SER H . . 4.480 2.553 2.217 3.479 . 0 0 "[ . 1 . 2]" 1
499 1 40 PRO HA 1 41 PRO HD3 . . 3.220 2.307 2.262 2.382 . 0 0 "[ . 1 . 2]" 1
500 1 23 PHE QD 1 39 HIS HA . . 4.350 2.982 2.515 3.474 . 0 0 "[ . 1 . 2]" 1
501 1 38 ALA MB 1 39 HIS H . . 3.660 3.011 2.771 3.172 . 0 0 "[ . 1 . 2]" 1
502 1 20 CYS H 1 38 ALA MB . . 4.430 4.233 3.864 4.417 . 0 0 "[ . 1 . 2]" 1
503 1 38 ALA H 1 38 ALA MB . . 3.150 2.283 2.179 2.362 . 0 0 "[ . 1 . 2]" 1
504 1 17 LEU HB3 1 38 ALA MB . . 3.610 2.807 2.439 3.525 . 0 0 "[ . 1 . 2]" 1
505 1 17 LEU HB2 1 38 ALA MB . . 3.730 3.161 2.889 3.521 . 0 0 "[ . 1 . 2]" 1
506 1 38 ALA MB 1 70 LEU MD2 . . 3.120 1.804 1.702 1.900 . 0 0 "[ . 1 . 2]" 1
507 1 38 ALA MB 1 76 LEU MD1 . . 3.700 2.589 2.257 2.902 . 0 0 "[ . 1 . 2]" 1
508 1 37 PHE HA 1 37 PHE QD . . 4.240 2.854 1.998 3.170 . 0 0 "[ . 1 . 2]" 1
509 1 20 CYS H 1 37 PHE HB2 . . 4.350 4.071 3.798 4.256 . 0 0 "[ . 1 . 2]" 1
510 1 37 PHE HB2 1 38 ALA H . . 3.730 3.646 3.534 3.739 0.009 5 0 "[ . 1 . 2]" 1
511 1 20 CYS HA 1 37 PHE HB2 . . 3.970 3.427 2.898 3.679 . 0 0 "[ . 1 . 2]" 1
512 1 20 CYS H 1 37 PHE HB3 . . 4.460 2.868 2.500 3.125 . 0 0 "[ . 1 . 2]" 1
513 1 36 LYS QB 1 37 PHE QD . . 4.570 3.610 2.410 4.580 0.010 15 0 "[ . 1 . 2]" 1
514 1 36 LYS HA 1 36 LYS HG3 . . 4.200 3.447 2.338 4.186 . 0 0 "[ . 1 . 2]" 1
515 1 36 LYS HA 1 36 LYS QD . . 4.270 3.822 2.294 4.324 0.054 20 0 "[ . 1 . 2]" 1
516 1 35 CYS HA 1 36 LYS QB . . 4.660 4.328 4.181 4.485 . 0 0 "[ . 1 . 2]" 1
517 1 30 ARG HB2 1 35 CYS QB . . 4.090 2.175 1.992 2.384 . 0 0 "[ . 1 . 2]" 1
518 1 30 ARG HB3 1 35 CYS QB . . 4.090 2.261 1.991 2.593 . 0 0 "[ . 1 . 2]" 1
519 1 34 GLU HA 1 34 GLU QG . . 3.270 2.555 2.152 3.093 . 0 0 "[ . 1 . 2]" 1
520 1 34 GLU H 1 34 GLU QG . . 4.250 3.492 2.695 4.150 . 0 0 "[ . 1 . 2]" 1
521 1 33 GLU HA 1 75 HIS HE1 . . 3.370 2.270 1.952 2.696 . 0 0 "[ . 1 . 2]" 1
522 1 33 GLU HA 1 73 PRO HB2 . . 4.150 4.006 3.372 4.208 0.058 9 0 "[ . 1 . 2]" 1
523 1 33 GLU HA 1 33 GLU QG . . 3.600 2.455 2.226 3.331 . 0 0 "[ . 1 . 2]" 1
524 1 24 GLN HB3 1 25 ARG HA . . 4.260 4.093 3.947 4.287 0.027 3 0 "[ . 1 . 2]" 1
525 1 33 GLU QG 1 75 HIS HE1 . . 4.680 3.822 3.117 4.724 0.044 9 0 "[ . 1 . 2]" 1
526 1 32 ASP HA 1 35 CYS H . . 4.660 3.876 3.734 4.125 . 0 0 "[ . 1 . 2]" 1
527 1 32 ASP HA 1 35 CYS QB . . 4.250 3.533 3.251 3.923 . 0 0 "[ . 1 . 2]" 1
528 1 22 GLN HB3 1 28 CYS HA . . 3.460 3.028 2.651 3.391 . 0 0 "[ . 1 . 2]" 1
529 1 23 PHE H 1 28 CYS HB3 . . 4.260 3.474 3.177 3.802 . 0 0 "[ . 1 . 2]" 1
530 1 22 GLN HB2 1 28 CYS HB3 . . 4.410 3.840 3.601 4.129 . 0 0 "[ . 1 . 2]" 1
531 1 22 GLN HB3 1 28 CYS HB3 . . 4.670 3.715 3.425 4.029 . 0 0 "[ . 1 . 2]" 1
532 1 28 CYS HB2 1 39 HIS HE1 . . 5.130 4.978 4.821 5.116 . 0 0 "[ . 1 . 2]" 1
533 1 23 PHE QD 1 28 CYS HB2 . . 4.940 4.790 4.546 4.935 . 0 0 "[ . 1 . 2]" 1
534 1 23 PHE HA 1 28 CYS HB2 . . 4.030 3.138 2.859 3.401 . 0 0 "[ . 1 . 2]" 1
535 1 22 GLN HB2 1 28 CYS HB2 . . 3.810 2.183 1.997 2.492 . 0 0 "[ . 1 . 2]" 1
536 1 22 GLN HB3 1 28 CYS HB2 . . 4.090 2.350 2.008 2.630 . 0 0 "[ . 1 . 2]" 1
537 1 27 THR H 1 27 THR MG . . 3.640 2.408 2.078 2.700 . 0 0 "[ . 1 . 2]" 1
538 1 25 ARG HA 1 25 ARG HG2 . . 4.020 2.721 2.393 3.663 . 0 0 "[ . 1 . 2]" 1
539 1 25 ARG HB2 1 25 ARG QD . . 3.810 2.501 2.085 2.949 . 0 0 "[ . 1 . 2]" 1
540 1 25 ARG HA 1 25 ARG HG3 . . 4.020 3.125 2.390 3.433 . 0 0 "[ . 1 . 2]" 1
541 1 24 GLN HA 1 24 GLN HG3 . . 4.040 3.621 3.384 3.726 . 0 0 "[ . 1 . 2]" 1
542 1 24 GLN HA 1 24 GLN HG2 . . 4.040 2.612 2.345 2.893 . 0 0 "[ . 1 . 2]" 1
543 1 24 GLN HB3 1 25 ARG H . . 4.470 3.155 2.878 3.411 . 0 0 "[ . 1 . 2]" 1
544 1 23 PHE QD 1 24 GLN HG2 . . 5.110 3.200 2.603 3.680 . 0 0 "[ . 1 . 2]" 1
545 1 24 GLN H 1 24 GLN HG3 . . 3.880 3.506 2.367 3.873 . 0 0 "[ . 1 . 2]" 1
546 1 21 ARG HA 1 24 GLN HG3 . . 4.490 3.640 2.725 4.161 . 0 0 "[ . 1 . 2]" 1
547 1 23 PHE HA 1 23 PHE QD . . 3.770 2.473 2.394 2.733 . 0 0 "[ . 1 . 2]" 1
548 1 23 PHE HA 1 28 CYS HB3 . . 3.890 2.379 2.088 2.674 . 0 0 "[ . 1 . 2]" 1
549 1 20 CYS HB3 1 23 PHE HB3 . . 3.860 2.013 1.991 2.169 . 0 0 "[ . 1 . 2]" 1
550 1 20 CYS HB3 1 23 PHE HB2 . . 3.850 2.319 2.123 2.598 . 0 0 "[ . 1 . 2]" 1
551 1 22 GLN HA 1 25 ARG H . . 4.240 3.542 3.436 3.669 . 0 0 "[ . 1 . 2]" 1
552 1 22 GLN HA 1 22 GLN HG2 . . 3.870 2.902 2.291 3.654 . 0 0 "[ . 1 . 2]" 1
553 1 22 GLN HA 1 25 ARG HB2 . . 3.860 3.098 2.825 3.221 . 0 0 "[ . 1 . 2]" 1
554 1 22 GLN H 1 22 GLN HG3 . . 4.030 3.024 2.172 3.721 . 0 0 "[ . 1 . 2]" 1
555 1 22 GLN HA 1 22 GLN HG3 . . 3.870 3.147 2.226 3.796 . 0 0 "[ . 1 . 2]" 1
556 1 20 CYS HA 1 37 PHE HB3 . . 3.740 2.824 2.398 3.104 . 0 0 "[ . 1 . 2]" 1
557 1 20 CYS HB2 1 37 PHE HB2 . . 3.600 2.030 1.985 2.222 . 0 0 "[ . 1 . 2]" 1
558 1 20 CYS HB2 1 37 PHE HB3 . . 3.670 2.095 1.999 2.329 . 0 0 "[ . 1 . 2]" 1
559 1 19 VAL HA 1 20 CYS H . . 3.120 2.185 2.147 2.254 . 0 0 "[ . 1 . 2]" 1
560 1 19 VAL HA 1 20 CYS HB3 . . 4.740 4.666 4.594 4.759 0.019 5 0 "[ . 1 . 2]" 1
561 1 19 VAL H 1 19 VAL HB . . 3.400 2.523 2.457 2.598 . 0 0 "[ . 1 . 2]" 1
562 1 19 VAL MG2 1 20 CYS H . . 4.190 3.963 3.831 4.078 . 0 0 "[ . 1 . 2]" 1
563 1 19 VAL MG2 1 51 VAL H . . 3.740 2.953 2.548 3.308 . 0 0 "[ . 1 . 2]" 1
564 1 19 VAL H 1 19 VAL MG2 . . 3.210 2.290 2.075 2.546 . 0 0 "[ . 1 . 2]" 1
565 1 19 VAL MG2 1 50 ARG HA . . 3.390 2.288 1.983 2.629 . 0 0 "[ . 1 . 2]" 1
566 1 19 VAL HA 1 19 VAL MG2 . . 3.190 2.355 2.257 2.459 . 0 0 "[ . 1 . 2]" 1
567 1 19 VAL MG2 1 40 PRO HG2 . . 3.840 3.565 3.135 3.837 . 0 0 "[ . 1 . 2]" 1
568 1 19 VAL MG2 1 51 VAL HB . . 3.390 2.132 1.849 2.440 . 0 0 "[ . 1 . 2]" 1
569 1 19 VAL MG2 1 40 PRO HG3 . . 3.230 2.523 2.097 2.806 . 0 0 "[ . 1 . 2]" 1
570 1 19 VAL MG2 1 38 ALA MB . . 4.030 3.870 3.559 4.041 0.011 2 0 "[ . 1 . 2]" 1
571 1 19 VAL MG1 1 20 CYS H . . 3.600 2.330 1.959 2.643 . 0 0 "[ . 1 . 2]" 1
572 1 19 VAL MG1 1 23 PHE QD . . 4.120 2.304 1.964 2.750 . 0 0 "[ . 1 . 2]" 1
573 1 19 VAL MG1 1 39 HIS HA . . 3.990 3.339 3.011 3.725 . 0 0 "[ . 1 . 2]" 1
574 1 19 VAL HA 1 19 VAL MG1 . . 3.360 2.368 2.264 2.463 . 0 0 "[ . 1 . 2]" 1
575 1 19 VAL MG1 1 24 GLN HG3 . . 3.910 2.948 2.206 3.293 . 0 0 "[ . 1 . 2]" 1
576 1 19 VAL MG1 1 24 GLN HG2 . . 3.910 2.194 1.943 2.596 . 0 0 "[ . 1 . 2]" 1
577 1 19 VAL MG1 1 40 PRO HG2 . . 3.860 3.203 2.832 3.508 . 0 0 "[ . 1 . 2]" 1
578 1 40 PRO HG2 1 51 VAL MG2 . . 4.290 3.653 3.333 3.989 . 0 0 "[ . 1 . 2]" 1
579 1 18 GLU HA 1 50 ARG HG2 . . 4.360 4.160 3.275 4.393 0.033 6 0 "[ . 1 . 2]" 1
580 1 18 GLU HA 1 19 VAL MG2 . . 4.400 3.675 3.499 3.828 . 0 0 "[ . 1 . 2]" 1
581 1 18 GLU QB 1 37 PHE QD . . 3.710 3.276 2.818 3.713 0.003 6 0 "[ . 1 . 2]" 1
582 1 18 GLU H 1 18 GLU HG3 . . 4.620 3.387 2.226 4.493 . 0 0 "[ . 1 . 2]" 1
583 1 17 LEU H 1 17 LEU HG . . 4.490 3.554 3.264 3.729 . 0 0 "[ . 1 . 2]" 1
584 1 17 LEU HA 1 17 LEU HG . . 4.110 2.851 2.763 2.932 . 0 0 "[ . 1 . 2]" 1
585 1 17 LEU HG 1 80 LEU HG . . 3.790 3.626 3.050 3.800 0.010 13 0 "[ . 1 . 2]" 1
586 1 17 LEU MD2 1 18 GLU H . . 3.880 3.021 2.743 3.414 . 0 0 "[ . 1 . 2]" 1
587 1 17 LEU MD2 1 80 LEU HG . . 3.660 2.645 2.131 3.242 . 0 0 "[ . 1 . 2]" 1
588 1 17 LEU HB3 1 17 LEU MD2 . . 3.180 2.304 2.130 2.353 . 0 0 "[ . 1 . 2]" 1
589 1 17 LEU HB2 1 17 LEU MD2 . . 3.660 3.179 3.153 3.192 . 0 0 "[ . 1 . 2]" 1
590 1 17 LEU MD2 1 76 LEU HB3 . . 3.370 3.053 2.664 3.366 . 0 0 "[ . 1 . 2]" 1
591 1 17 LEU MD2 1 76 LEU MD2 . . 3.520 2.985 2.199 3.293 . 0 0 "[ . 1 . 2]" 1
592 1 16 THR HA 1 17 LEU H . . 3.200 2.308 2.175 2.398 . 0 0 "[ . 1 . 2]" 1
593 1 16 THR HA 1 52 ILE HA . . 3.520 2.407 2.000 2.629 . 0 0 "[ . 1 . 2]" 1
594 1 16 THR HA 1 52 ILE MG . . 4.290 3.780 3.293 4.000 . 0 0 "[ . 1 . 2]" 1
595 1 16 THR H 1 16 THR HB . . 3.800 3.621 2.937 3.812 0.012 2 0 "[ . 1 . 2]" 1
596 1 16 THR HB 1 50 ARG HG2 . . 3.930 2.683 2.046 3.722 . 0 0 "[ . 1 . 2]" 1
597 1 16 THR MG 1 17 LEU H . . 3.650 3.360 2.242 3.591 . 0 0 "[ . 1 . 2]" 1
598 1 16 THR H 1 16 THR MG . . 3.990 3.274 2.994 3.931 . 0 0 "[ . 1 . 2]" 1
599 1 16 THR HA 1 16 THR MG . . 3.330 2.188 2.053 2.287 . 0 0 "[ . 1 . 2]" 1
600 1 16 THR MG 1 50 ARG HD3 . . 4.060 3.185 2.337 4.159 0.099 6 0 "[ . 1 . 2]" 1
601 1 16 THR MG 1 50 ARG HD2 . . 4.060 3.083 2.490 4.065 0.005 7 0 "[ . 1 . 2]" 1
602 1 15 LEU HB3 1 15 LEU MD1 . . 3.510 2.536 2.412 2.597 . 0 0 "[ . 1 . 2]" 1
603 1 15 LEU H 1 15 LEU HB2 . . 4.040 2.461 2.252 2.740 . 0 0 "[ . 1 . 2]" 1
604 1 15 LEU HB2 1 15 LEU MD1 . . 3.450 2.129 2.055 2.270 . 0 0 "[ . 1 . 2]" 1
605 1 14 TRP QB 1 15 LEU MD1 . . 5.480 5.185 5.081 5.428 . 0 0 "[ . 1 . 2]" 1
606 1 13 LYS HA 1 13 LYS HG2 . . 4.240 3.373 2.294 4.229 . 0 0 "[ . 1 . 2]" 1
607 1 13 LYS HA 1 13 LYS HG3 . . 4.240 3.077 2.471 3.835 . 0 0 "[ . 1 . 2]" 1
608 1 12 THR HA 1 15 LEU MD1 . . 3.970 2.810 2.155 3.725 . 0 0 "[ . 1 . 2]" 1
609 1 12 THR HA 1 15 LEU HB2 . . 4.410 2.975 2.434 3.791 . 0 0 "[ . 1 . 2]" 1
610 1 23 PHE HZ 1 40 PRO HD2 . . 4.230 4.088 3.922 4.225 . 0 0 "[ . 1 . 2]" 1
611 1 23 PHE QD 1 40 PRO HD2 . . 3.960 2.636 2.253 3.088 . 0 0 "[ . 1 . 2]" 1
612 1 39 HIS HA 1 40 PRO HD2 . . 3.290 1.930 1.928 1.933 . 0 0 "[ . 1 . 2]" 1
613 1 38 ALA MB 1 40 PRO HD2 . . 4.710 4.379 4.302 4.458 . 0 0 "[ . 1 . 2]" 1
614 1 19 VAL MG1 1 40 PRO HD2 . . 3.480 2.411 2.050 2.766 . 0 0 "[ . 1 . 2]" 1
615 1 19 VAL MG2 1 40 PRO HD2 . . 3.850 3.552 3.292 3.804 . 0 0 "[ . 1 . 2]" 1
616 1 23 PHE QD 1 40 PRO HD3 . . 4.700 4.208 3.864 4.628 . 0 0 "[ . 1 . 2]" 1
617 1 39 HIS HA 1 40 PRO HD3 . . 3.310 2.612 2.608 2.624 . 0 0 "[ . 1 . 2]" 1
618 1 38 ALA MB 1 40 PRO HD3 . . 3.700 3.037 2.908 3.187 . 0 0 "[ . 1 . 2]" 1
619 1 19 VAL MG1 1 40 PRO HD3 . . 3.470 3.015 2.633 3.358 . 0 0 "[ . 1 . 2]" 1
620 1 19 VAL MG2 1 40 PRO HD3 . . 3.610 3.171 2.810 3.455 . 0 0 "[ . 1 . 2]" 1
621 1 38 ALA MB 1 40 PRO HG3 . . 5.150 4.630 4.539 4.722 . 0 0 "[ . 1 . 2]" 1
622 1 40 PRO HG3 1 51 VAL MG2 . . 3.600 2.454 1.987 2.921 . 0 0 "[ . 1 . 2]" 1
623 1 71 HIS HA 1 72 PRO HD2 . . 3.220 1.917 1.913 1.921 . 0 0 "[ . 1 . 2]" 1
624 1 54 CYS HB3 1 72 PRO HD2 . . 4.320 3.833 3.670 3.941 . 0 0 "[ . 1 . 2]" 1
625 1 53 ALA MB 1 72 PRO HD2 . . 3.820 2.954 2.603 3.276 . 0 0 "[ . 1 . 2]" 1
626 1 58 LEU MD2 1 72 PRO HD2 . . 3.640 3.472 3.321 3.582 . 0 0 "[ . 1 . 2]" 1
627 1 54 CYS H 1 72 PRO HD3 . . 4.620 2.987 2.780 3.220 . 0 0 "[ . 1 . 2]" 1
628 1 71 HIS HA 1 72 PRO HD3 . . 3.090 2.544 2.497 2.574 . 0 0 "[ . 1 . 2]" 1
629 1 53 ALA MB 1 72 PRO HD3 . . 3.860 2.421 2.170 2.724 . 0 0 "[ . 1 . 2]" 1
630 1 17 LEU MD1 1 72 PRO HD3 . . 3.880 3.524 3.356 3.831 . 0 0 "[ . 1 . 2]" 1
631 1 40 PRO HG2 1 46 VAL MG2 . . 3.290 2.079 1.932 2.658 . 0 0 "[ . 1 . 2]" 1
632 1 40 PRO HB3 1 51 VAL MG2 . . 3.670 2.047 1.892 2.371 . 0 0 "[ . 1 . 2]" 1
633 1 40 PRO HB3 1 46 VAL MG2 . . 4.210 3.280 3.027 4.053 . 0 0 "[ . 1 . 2]" 1
634 1 40 PRO HB2 1 44 CYS HB2 . . 3.830 3.137 2.709 3.448 . 0 0 "[ . 1 . 2]" 1
635 1 40 PRO HB2 1 51 VAL MG2 . . 3.720 2.904 2.683 3.212 . 0 0 "[ . 1 . 2]" 1
636 1 40 PRO HB2 1 46 VAL MG2 . . 3.900 2.323 1.986 3.171 . 0 0 "[ . 1 . 2]" 1
637 1 58 LEU MD2 1 72 PRO HG2 . . 3.620 2.859 2.569 3.079 . 0 0 "[ . 1 . 2]" 1
638 1 72 PRO HG3 1 77 LYS HA . . 4.800 4.525 4.257 4.802 0.002 8 0 "[ . 1 . 2]" 1
639 1 53 ALA MB 1 72 PRO HG3 . . 3.720 1.939 1.805 2.077 . 0 0 "[ . 1 . 2]" 1
640 1 17 LEU MD1 1 72 PRO HG3 . . 3.800 2.350 2.128 2.616 . 0 0 "[ . 1 . 2]" 1
641 1 72 PRO HG3 1 80 LEU MD1 . . 4.090 2.696 2.077 3.198 . 0 0 "[ . 1 . 2]" 1
642 1 72 PRO HB2 1 76 LEU HB2 . . 4.100 2.941 2.663 3.131 . 0 0 "[ . 1 . 2]" 1
643 1 72 PRO HB2 1 76 LEU HB3 . . 4.020 3.049 2.521 3.363 . 0 0 "[ . 1 . 2]" 1
644 1 17 LEU MD1 1 72 PRO HB3 . . 3.890 2.016 1.860 2.240 . 0 0 "[ . 1 . 2]" 1
645 1 17 LEU MD1 1 72 PRO HB2 . . 3.910 2.660 2.514 2.887 . 0 0 "[ . 1 . 2]" 1
646 1 72 PRO HB2 1 80 LEU MD1 . . 4.460 3.665 3.074 4.118 . 0 0 "[ . 1 . 2]" 1
647 1 72 PRO HB2 1 76 LEU MD1 . . 4.440 3.277 3.099 3.759 . 0 0 "[ . 1 . 2]" 1
648 1 72 PRO HB3 1 76 LEU MD1 . . 4.710 3.191 2.910 3.622 . 0 0 "[ . 1 . 2]" 1
649 1 20 CYS H 1 39 HIS HD2 . . 4.400 2.828 2.583 2.991 . 0 0 "[ . 1 . 2]" 1
650 1 39 HIS HA 1 39 HIS HD2 . . 3.700 2.611 2.549 2.723 . 0 0 "[ . 1 . 2]" 1
651 1 20 CYS HB3 1 39 HIS HD2 . . 3.430 2.277 2.005 2.508 . 0 0 "[ . 1 . 2]" 1
652 1 20 CYS HB2 1 39 HIS HD2 . . 3.520 2.328 2.095 2.508 . 0 0 "[ . 1 . 2]" 1
653 1 23 PHE HB2 1 39 HIS HD2 . . 4.390 3.254 2.896 3.546 . 0 0 "[ . 1 . 2]" 1
654 1 28 CYS HB3 1 39 HIS HE1 . . 4.650 4.584 4.295 4.653 0.003 1 0 "[ . 1 . 2]" 1
655 1 35 CYS QB 1 39 HIS HE1 . . 4.040 2.266 2.033 2.588 . 0 0 "[ . 1 . 2]" 1
656 1 30 ARG HB2 1 39 HIS HE1 . . 4.920 3.176 2.533 3.682 . 0 0 "[ . 1 . 2]" 1
657 1 30 ARG H 1 39 HIS HE1 . . 5.020 4.077 3.692 4.463 . 0 0 "[ . 1 . 2]" 1
658 1 32 ASP HA 1 39 HIS HE1 . . 4.910 4.139 3.762 4.472 . 0 0 "[ . 1 . 2]" 1
659 1 23 PHE QD 1 39 HIS HE1 . . 5.500 5.323 4.997 5.501 0.001 20 0 "[ . 1 . 2]" 1
660 1 30 ARG HB3 1 39 HIS HE1 . . 4.920 4.153 3.481 4.368 . 0 0 "[ . 1 . 2]" 1
661 1 57 SER HB2 1 71 HIS HE1 . . 4.640 4.259 3.861 4.631 . 0 0 "[ . 1 . 2]" 1
662 1 67 CYS QB 1 71 HIS HE1 . . 4.340 4.072 3.431 4.334 . 0 0 "[ . 1 . 2]" 1
663 1 62 CYS HB2 1 71 HIS HE1 . . 3.380 2.388 2.102 2.763 . 0 0 "[ . 1 . 2]" 1
664 1 71 HIS H 1 71 HIS HD2 . . 4.390 2.746 2.412 3.017 . 0 0 "[ . 1 . 2]" 1
665 1 54 CYS H 1 71 HIS HD2 . . 4.530 3.733 3.344 4.069 . 0 0 "[ . 1 . 2]" 1
666 1 71 HIS HA 1 71 HIS HD2 . . 3.840 2.865 2.699 3.088 . 0 0 "[ . 1 . 2]" 1
667 1 70 LEU HA 1 71 HIS HD2 . . 4.710 2.938 2.543 3.317 . 0 0 "[ . 1 . 2]" 1
668 1 57 SER HB3 1 71 HIS HD2 . . 4.320 3.389 3.075 3.826 . 0 0 "[ . 1 . 2]" 1
669 1 54 CYS HB3 1 71 HIS HD2 . . 3.570 2.978 2.553 3.393 . 0 0 "[ . 1 . 2]" 1
670 1 54 CYS HB2 1 71 HIS HD2 . . 3.490 2.698 2.392 2.924 . 0 0 "[ . 1 . 2]" 1
671 1 73 PRO HG3 1 75 HIS HE1 . . 4.010 2.169 2.026 2.441 . 0 0 "[ . 1 . 2]" 1
672 1 73 PRO HG2 1 75 HIS HE1 . . 4.010 2.921 2.705 3.085 . 0 0 "[ . 1 . 2]" 1
673 1 75 HIS HE1 1 76 LEU HG . . 4.390 4.042 3.836 4.313 . 0 0 "[ . 1 . 2]" 1
674 1 69 TYR H 1 69 TYR QD . . 4.150 2.966 1.965 3.682 . 0 0 "[ . 1 . 2]" 1
675 1 69 TYR HA 1 69 TYR QD . . 3.440 2.744 1.931 3.174 . 0 0 "[ . 1 . 2]" 1
676 1 54 CYS HA 1 69 TYR QD . . 4.320 3.053 2.066 3.601 . 0 0 "[ . 1 . 2]" 1
677 1 52 ILE HB 1 69 TYR QD . . 3.340 2.660 1.998 3.328 . 0 0 "[ . 1 . 2]" 1
678 1 55 PHE QD 1 58 LEU MD1 . . 4.290 2.844 2.065 3.764 . 0 0 "[ . 1 . 2]" 1
679 1 15 LEU MD1 1 55 PHE QD . . 4.240 3.097 2.272 4.019 . 0 0 "[ . 1 . 2]" 1
680 1 15 LEU MD2 1 55 PHE QD . . 4.530 3.330 2.475 4.250 . 0 0 "[ . 1 . 2]" 1
681 1 23 PHE QD 1 28 CYS H . . 5.110 4.834 4.676 5.015 . 0 0 "[ . 1 . 2]" 1
682 1 23 PHE QD 1 24 GLN HG3 . . 5.110 4.731 3.955 5.111 0.001 15 0 "[ . 1 . 2]" 1
683 1 23 PHE QD 1 39 HIS HB3 . . 5.460 3.015 2.766 3.403 . 0 0 "[ . 1 . 2]" 1
684 1 23 PHE QD 1 39 HIS HB2 . . 5.460 4.380 4.103 4.796 . 0 0 "[ . 1 . 2]" 1
685 1 56 ASP HA 1 58 LEU H . . 4.750 4.053 3.676 4.314 . 0 0 "[ . 1 . 2]" 1
686 1 80 LEU HA 1 80 LEU MD2 . . 3.120 2.171 2.024 2.374 . 0 0 "[ . 1 . 2]" 1
687 1 17 LEU MD2 1 79 GLN HB2 . . 4.720 3.167 2.530 4.364 . 0 0 "[ . 1 . 2]" 1
688 1 17 LEU MD2 1 79 GLN HB3 . . 4.720 3.264 2.475 4.148 . 0 0 "[ . 1 . 2]" 1
689 1 79 GLN HB2 1 80 LEU HG . . 4.820 3.954 3.377 4.837 0.017 10 0 "[ . 1 . 2]" 1
690 1 79 GLN HB3 1 80 LEU HG . . 4.820 4.351 3.545 4.740 . 0 0 "[ . 1 . 2]" 1
691 1 77 LYS HB3 1 80 LEU MD1 . . 5.500 4.047 3.491 4.619 . 0 0 "[ . 1 . 2]" 1
692 1 76 LEU MD2 1 79 GLN HE21 . . 4.670 3.207 1.999 4.640 . 0 0 "[ . 1 . 2]" 1
693 1 76 LEU MD2 1 79 GLN HE22 . . 4.670 3.238 2.115 4.634 . 0 0 "[ . 1 . 2]" 1
694 1 36 LYS HA 1 75 HIS HD2 . . 4.380 3.358 2.895 4.173 . 0 0 "[ . 1 . 2]" 1
695 1 75 HIS HD2 1 76 LEU HG . . 4.000 2.308 2.070 2.574 . 0 0 "[ . 1 . 2]" 1
696 1 72 PRO HB2 1 73 PRO HD2 . . 4.850 2.745 2.626 2.852 . 0 0 "[ . 1 . 2]" 1
697 1 54 CYS HB3 1 72 PRO HD3 . . 4.630 4.576 4.429 4.643 0.013 18 0 "[ . 1 . 2]" 1
698 1 59 LYS HB2 1 60 GLY H . . 4.740 2.941 2.821 3.158 . 0 0 "[ . 1 . 2]" 1
699 1 58 LEU MD2 1 59 LYS H . . 4.910 4.648 4.573 4.728 . 0 0 "[ . 1 . 2]" 1
700 1 14 TRP HH2 1 58 LEU MD1 . . 4.400 3.356 2.605 4.144 . 0 0 "[ . 1 . 2]" 1
701 1 55 PHE HA 1 58 LEU MD1 . . 3.590 2.211 1.976 2.588 . 0 0 "[ . 1 . 2]" 1
702 1 55 PHE HB2 1 58 LEU MD1 . . 4.730 4.007 3.605 4.366 . 0 0 "[ . 1 . 2]" 1
703 1 58 LEU HB2 1 58 LEU MD1 . . 3.490 2.305 2.177 2.397 . 0 0 "[ . 1 . 2]" 1
704 1 58 LEU HB3 1 58 LEU MD1 . . 3.270 2.381 2.294 2.484 . 0 0 "[ . 1 . 2]" 1
705 1 53 ALA MB 1 58 LEU MD1 . . 4.320 4.125 3.775 4.312 . 0 0 "[ . 1 . 2]" 1
706 1 15 LEU MD2 1 58 LEU MD1 . . 3.870 2.347 1.938 2.749 . 0 0 "[ . 1 . 2]" 1
707 1 57 SER HB2 1 71 HIS HD2 . . 4.810 4.072 3.795 4.489 . 0 0 "[ . 1 . 2]" 1
708 1 57 SER HB2 1 71 HIS HA . . 4.640 2.956 2.644 3.254 . 0 0 "[ . 1 . 2]" 1
709 1 57 SER HB2 1 62 CYS HB2 . . 4.580 4.206 4.022 4.326 . 0 0 "[ . 1 . 2]" 1
710 1 57 SER HB3 1 62 CYS HB2 . . 4.650 3.390 3.179 3.522 . 0 0 "[ . 1 . 2]" 1
711 1 56 ASP HB3 1 62 CYS HA . . 4.650 2.001 1.984 2.050 . 0 0 "[ . 1 . 2]" 1
712 1 55 PHE HA 1 58 LEU HB2 . . 4.080 4.005 3.838 4.085 0.005 3 0 "[ . 1 . 2]" 1
713 1 15 LEU MD1 1 55 PHE HB3 . . 5.100 4.773 3.849 5.081 . 0 0 "[ . 1 . 2]" 1
714 1 15 LEU H 1 52 ILE MG . . 5.130 4.566 4.098 5.056 . 0 0 "[ . 1 . 2]" 1
715 1 16 THR HA 1 52 ILE MD . . 5.500 5.347 5.017 5.494 . 0 0 "[ . 1 . 2]" 1
716 1 51 VAL MG2 1 70 LEU HB3 . . 3.730 2.420 2.065 2.841 . 0 0 "[ . 1 . 2]" 1
717 1 50 ARG HA 1 51 VAL MG1 . . 4.380 3.633 3.434 4.028 . 0 0 "[ . 1 . 2]" 1
718 1 40 PRO HG2 1 51 VAL MG1 . . 4.710 4.275 4.055 4.555 . 0 0 "[ . 1 . 2]" 1
719 1 19 VAL H 1 50 ARG HG3 . . 4.740 3.808 3.308 4.099 . 0 0 "[ . 1 . 2]" 1
720 1 42 LYS HA 1 44 CYS H . . 4.500 4.254 3.423 4.467 . 0 0 "[ . 1 . 2]" 1
721 1 42 LYS HA 1 42 LYS QD . . 3.940 2.987 2.006 3.958 0.018 11 0 "[ . 1 . 2]" 1
722 1 42 LYS HA 1 42 LYS QG . . 3.740 2.548 2.220 3.436 . 0 0 "[ . 1 . 2]" 1
723 1 41 PRO HD2 1 44 CYS HB2 . . 4.650 2.070 1.997 2.273 . 0 0 "[ . 1 . 2]" 1
724 1 41 PRO HD3 1 44 CYS HB2 . . 4.650 3.707 3.605 3.939 . 0 0 "[ . 1 . 2]" 1
725 1 38 ALA HA 1 70 LEU MD2 . . 4.330 3.204 2.955 3.519 . 0 0 "[ . 1 . 2]" 1
726 1 37 PHE HB3 1 39 HIS HD2 . . 4.720 3.437 3.272 3.833 . 0 0 "[ . 1 . 2]" 1
727 1 36 LYS HA 1 37 PHE HB2 . . 5.500 5.404 5.252 5.563 0.063 10 0 "[ . 1 . 2]" 1
728 1 35 CYS HA 1 37 PHE H . . 4.580 3.848 3.632 3.966 . 0 0 "[ . 1 . 2]" 1
729 1 23 PHE QD 1 24 GLN HA . . 4.540 3.748 3.388 4.021 . 0 0 "[ . 1 . 2]" 1
730 1 23 PHE HB3 1 39 HIS HD2 . . 4.790 3.548 3.243 3.855 . 0 0 "[ . 1 . 2]" 1
731 1 23 PHE HB3 1 28 CYS HB2 . . 5.050 4.632 4.316 4.895 . 0 0 "[ . 1 . 2]" 1
732 1 23 PHE HB2 1 28 CYS HB2 . . 4.310 3.631 3.314 3.824 . 0 0 "[ . 1 . 2]" 1
733 1 22 GLN HB2 1 28 CYS HA . . 4.150 3.694 3.058 4.056 . 0 0 "[ . 1 . 2]" 1
734 1 20 CYS HA 1 37 PHE QD . . 4.800 2.820 2.042 3.466 . 0 0 "[ . 1 . 2]" 1
735 1 20 CYS HA 1 21 ARG QB . . 4.570 4.182 4.036 4.643 0.073 20 0 "[ . 1 . 2]" 1
736 1 19 VAL MG1 1 20 CYS HB2 . . 4.710 4.296 4.033 4.497 . 0 0 "[ . 1 . 2]" 1
737 1 20 CYS HB2 1 23 PHE H . . 4.800 4.207 3.950 4.380 . 0 0 "[ . 1 . 2]" 1
738 1 18 GLU HA 1 19 VAL HB . . 4.740 4.641 4.593 4.674 . 0 0 "[ . 1 . 2]" 1
739 1 18 GLU HG3 1 19 VAL H . . 4.890 4.163 2.819 4.848 . 0 0 "[ . 1 . 2]" 1
740 1 17 LEU MD2 1 76 LEU HA . . 5.170 4.331 3.554 4.653 . 0 0 "[ . 1 . 2]" 1
741 1 17 LEU MD2 1 79 GLN HA . . 5.500 5.189 4.742 5.504 0.004 6 0 "[ . 1 . 2]" 1
742 1 16 THR HB 1 50 ARG HB3 . . 5.020 4.539 4.138 5.024 0.004 3 0 "[ . 1 . 2]" 1
743 1 16 THR MG 1 52 ILE HG12 . . 3.970 2.581 2.254 2.941 . 0 0 "[ . 1 . 2]" 1
744 1 15 LEU H 1 15 LEU MD2 . . 4.600 4.028 3.761 4.216 . 0 0 "[ . 1 . 2]" 1
745 1 14 TRP HH2 1 15 LEU MD2 . . 4.320 3.122 2.707 4.002 . 0 0 "[ . 1 . 2]" 1
746 1 15 LEU HA 1 15 LEU MD2 . . 3.170 2.262 2.090 2.472 . 0 0 "[ . 1 . 2]" 1
747 1 15 LEU HB3 1 15 LEU MD2 . . 3.490 2.211 2.098 2.303 . 0 0 "[ . 1 . 2]" 1
748 1 15 LEU MD2 1 80 LEU HB3 . . 4.410 3.612 3.206 3.954 . 0 0 "[ . 1 . 2]" 1
749 1 15 LEU MD2 1 53 ALA MB . . 3.530 2.965 2.021 3.515 . 0 0 "[ . 1 . 2]" 1
750 1 15 LEU MD2 1 55 PHE HB2 . . 4.850 4.059 3.489 4.379 . 0 0 "[ . 1 . 2]" 1
751 1 15 LEU MD2 1 58 LEU HG . . 4.720 4.052 3.633 4.502 . 0 0 "[ . 1 . 2]" 1
752 1 14 TRP HA 1 14 TRP HE3 . . 4.860 4.421 4.178 4.689 . 0 0 "[ . 1 . 2]" 1
753 1 31 SER HA 1 34 GLU H . . 5.300 4.519 4.331 4.653 . 0 0 "[ . 1 . 2]" 1
754 1 12 THR HB 1 52 ILE MG . . 3.900 2.891 2.014 3.919 0.019 9 0 "[ . 1 . 2]" 1
755 1 12 THR MG 1 15 LEU MD1 . . 3.880 2.586 1.947 3.896 0.016 15 0 "[ . 1 . 2]" 1
756 1 12 THR MG 1 52 ILE MG . . 4.090 2.092 1.720 2.814 . 0 0 "[ . 1 . 2]" 1
757 1 12 THR HA 1 12 THR MG . . 3.270 2.388 2.195 3.187 . 0 0 "[ . 1 . 2]" 1
758 1 14 TRP HA 1 14 TRP HD1 . . 4.460 4.305 4.092 4.471 0.011 5 0 "[ . 1 . 2]" 1
759 1 12 THR HA 1 14 TRP HD1 . . 4.540 4.010 2.708 4.493 . 0 0 "[ . 1 . 2]" 1
760 1 14 TRP HD1 1 15 LEU MD1 . . 4.690 4.239 3.716 4.573 . 0 0 "[ . 1 . 2]" 1
761 1 14 TRP HE3 1 15 LEU MD1 . . 5.500 5.315 5.091 5.502 0.002 2 0 "[ . 1 . 2]" 1
762 1 14 TRP HZ2 1 15 LEU MD1 . . 4.620 3.108 2.373 3.855 . 0 0 "[ . 1 . 2]" 1
763 1 14 TRP HZ3 1 15 LEU MD1 . . 5.500 5.275 4.861 5.499 . 0 0 "[ . 1 . 2]" 1
764 1 14 TRP HZ3 1 80 LEU MD1 . . 5.500 4.399 3.389 5.439 . 0 0 "[ . 1 . 2]" 1
765 1 54 CYS HA 1 71 HIS HD2 . . 5.330 5.050 4.731 5.275 . 0 0 "[ . 1 . 2]" 1
766 1 63 SER H 1 71 HIS HE1 . . 5.500 5.413 5.223 5.503 0.003 10 0 "[ . 1 . 2]" 1
767 1 69 TYR HA 1 69 TYR QE . . 4.810 4.591 4.298 4.740 . 0 0 "[ . 1 . 2]" 1
768 1 54 CYS HA 1 69 TYR QE . . 5.110 4.708 4.163 5.029 . 0 0 "[ . 1 . 2]" 1
769 1 52 ILE HB 1 69 TYR QE . . 3.900 3.223 2.541 3.697 . 0 0 "[ . 1 . 2]" 1
770 1 52 ILE HG13 1 69 TYR QE . . 5.500 5.016 4.285 5.480 . 0 0 "[ . 1 . 2]" 1
771 1 68 LYS HB2 1 69 TYR QE . . 5.500 4.814 3.313 5.345 . 0 0 "[ . 1 . 2]" 1
772 1 68 LYS HB3 1 69 TYR QE . . 5.500 5.217 4.591 5.504 0.004 4 0 "[ . 1 . 2]" 1
773 1 52 ILE HG12 1 69 TYR QE . . 5.500 4.889 4.156 5.415 . 0 0 "[ . 1 . 2]" 1
774 1 52 ILE MG 1 69 TYR QE . . 3.520 2.400 1.935 3.241 . 0 0 "[ . 1 . 2]" 1
775 1 68 LYS HD2 1 69 TYR QE . . 5.500 4.169 2.220 5.102 . 0 0 "[ . 1 . 2]" 1
776 1 68 LYS HD3 1 69 TYR QE . . 5.500 4.143 2.559 5.409 . 0 0 "[ . 1 . 2]" 1
777 1 72 PRO HA 1 73 PRO HD2 . . 3.170 2.243 2.198 2.292 . 0 0 "[ . 1 . 2]" 1
778 1 73 PRO HD2 1 76 LEU HB2 . . 4.390 2.369 2.086 2.472 . 0 0 "[ . 1 . 2]" 1
779 1 73 PRO HD2 1 76 LEU HB3 . . 5.420 3.255 2.905 3.392 . 0 0 "[ . 1 . 2]" 1
780 1 70 LEU MD2 1 73 PRO HD2 . . 5.350 4.822 4.700 4.988 . 0 0 "[ . 1 . 2]" 1
781 1 72 PRO HA 1 73 PRO HD3 . . 3.170 2.266 2.262 2.274 . 0 0 "[ . 1 . 2]" 1
782 1 73 PRO HD3 1 76 LEU HB2 . . 4.390 3.918 3.664 4.012 . 0 0 "[ . 1 . 2]" 1
783 1 73 PRO HD3 1 76 LEU HB3 . . 5.420 5.016 4.680 5.150 . 0 0 "[ . 1 . 2]" 1
784 1 73 PRO HD3 1 76 LEU MD1 . . 3.870 2.772 2.612 2.944 . 0 0 "[ . 1 . 2]" 1
785 1 73 PRO HG2 1 76 LEU HG . . 4.700 2.161 1.996 2.490 . 0 0 "[ . 1 . 2]" 1
786 1 73 PRO HG3 1 76 LEU HG . . 4.700 3.241 2.975 3.558 . 0 0 "[ . 1 . 2]" 1
787 1 73 PRO HB2 1 75 HIS HE1 . . 4.290 2.318 2.146 2.589 . 0 0 "[ . 1 . 2]" 1
788 1 73 PRO HB3 1 75 HIS HE1 . . 4.290 2.547 2.432 2.674 . 0 0 "[ . 1 . 2]" 1
789 1 33 GLU HA 1 73 PRO HB3 . . 4.150 3.656 2.462 4.181 0.031 9 0 "[ . 1 . 2]" 1
790 1 40 PRO HA 1 41 PRO HD2 . . 3.220 2.037 1.949 2.174 . 0 0 "[ . 1 . 2]" 1
791 1 40 PRO HA 1 70 LEU MD2 . . 4.560 2.687 2.377 3.149 . 0 0 "[ . 1 . 2]" 1
792 1 74 THR HA 1 77 LYS H . . 4.410 3.162 2.971 3.464 . 0 0 "[ . 1 . 2]" 1
793 1 74 THR HA 1 77 LYS HE2 . . 4.700 3.530 2.161 4.713 0.013 15 0 "[ . 1 . 2]" 1
794 1 74 THR HA 1 77 LYS HB3 . . 4.370 3.590 2.163 4.011 . 0 0 "[ . 1 . 2]" 1
795 1 78 THR H 1 78 THR MG . . 3.860 3.763 3.749 3.778 . 0 0 "[ . 1 . 2]" 1
796 1 78 THR HA 1 78 THR MG . . 3.160 2.333 2.183 2.446 . 0 0 "[ . 1 . 2]" 1
797 1 74 THR HA 1 74 THR MG . . 3.230 2.250 2.116 2.418 . 0 0 "[ . 1 . 2]" 1
798 1 74 THR MG 1 77 LYS HB3 . . 4.930 4.021 3.283 4.548 . 0 0 "[ . 1 . 2]" 1
799 1 78 THR MG 1 82 ILE HB . . 5.490 4.420 3.913 4.909 . 0 0 "[ . 1 . 2]" 1
800 1 74 THR MG 1 77 LYS HB2 . . 4.930 3.434 2.994 4.824 . 0 0 "[ . 1 . 2]" 1
801 1 23 PHE H 1 28 CYS HA . . 5.180 5.025 4.712 5.184 0.004 5 0 "[ . 1 . 2]" 1
802 1 77 LYS HA 1 80 LEU HB3 . . 4.990 4.834 4.573 5.003 0.013 3 0 "[ . 1 . 2]" 1
803 1 15 LEU MD2 1 80 LEU HB2 . . 5.040 4.658 4.313 4.983 . 0 0 "[ . 1 . 2]" 1
804 1 78 THR HA 1 80 LEU H . . 4.870 4.227 3.702 4.612 . 0 0 "[ . 1 . 2]" 1
805 1 77 LYS HB2 1 80 LEU MD1 . . 5.500 4.494 3.564 4.923 . 0 0 "[ . 1 . 2]" 1
806 1 37 PHE HA 1 76 LEU MD2 . . 4.660 3.075 2.619 3.784 . 0 0 "[ . 1 . 2]" 1
807 1 37 PHE HA 1 76 LEU MD1 . . 4.440 2.818 2.368 3.593 . 0 0 "[ . 1 . 2]" 1
808 1 75 HIS HA 1 78 THR H . . 4.840 4.275 3.601 4.603 . 0 0 "[ . 1 . 2]" 1
809 1 52 ILE HB 1 69 TYR HA . . 5.070 4.144 3.821 4.655 . 0 0 "[ . 1 . 2]" 1
810 1 69 TYR HA 1 70 LEU HB2 . . 5.020 4.733 4.628 4.766 . 0 0 "[ . 1 . 2]" 1
811 1 67 CYS HA 1 68 LYS HA . . 5.300 4.394 4.370 4.417 . 0 0 "[ . 1 . 2]" 1
812 1 64 ARG HG2 1 67 CYS QB . . 4.900 4.721 4.366 4.907 0.007 15 0 "[ . 1 . 2]" 1
813 1 64 ARG HG3 1 67 CYS QB . . 4.900 4.272 3.685 4.858 . 0 0 "[ . 1 . 2]" 1
814 1 57 SER HB2 1 58 LEU H . . 4.950 3.874 3.657 4.082 . 0 0 "[ . 1 . 2]" 1
815 1 57 SER HB3 1 71 HIS HA . . 4.870 3.359 3.102 3.637 . 0 0 "[ . 1 . 2]" 1
816 1 54 CYS HB2 1 57 SER HB3 . . 4.720 3.445 3.335 3.621 . 0 0 "[ . 1 . 2]" 1
817 1 55 PHE HA 1 58 LEU H . . 4.770 3.842 3.728 3.911 . 0 0 "[ . 1 . 2]" 1
818 1 53 ALA MB 1 54 CYS HB3 . . 5.190 4.491 4.373 4.653 . 0 0 "[ . 1 . 2]" 1
819 1 53 ALA MB 1 54 CYS HA . . 4.840 4.332 4.186 4.552 . 0 0 "[ . 1 . 2]" 1
820 1 50 ARG HA 1 50 ARG HD3 . . 4.880 4.552 3.999 4.682 . 0 0 "[ . 1 . 2]" 1
821 1 48 ASN HA 1 49 GLY HA2 . . 4.870 4.396 4.392 4.398 . 0 0 "[ . 1 . 2]" 1
822 1 23 PHE HZ 1 40 PRO HD3 . . 5.500 5.488 5.427 5.510 0.010 13 0 "[ . 1 . 2]" 1
823 1 20 CYS H 1 40 PRO HD3 . . 5.120 4.396 4.133 4.684 . 0 0 "[ . 1 . 2]" 1
824 1 39 HIS H 1 40 PRO HD3 . . 5.030 3.869 3.815 3.929 . 0 0 "[ . 1 . 2]" 1
825 1 38 ALA H 1 40 PRO HD3 . . 5.500 5.120 5.031 5.202 . 0 0 "[ . 1 . 2]" 1
826 1 23 PHE HZ 1 39 HIS HA . . 5.030 4.370 4.168 4.572 . 0 0 "[ . 1 . 2]" 1
827 1 37 PHE HA 1 38 ALA MB . . 4.560 3.931 3.888 3.991 . 0 0 "[ . 1 . 2]" 1
828 1 31 SER HB2 1 34 GLU H . . 5.010 3.632 2.504 4.530 . 0 0 "[ . 1 . 2]" 1
829 1 31 SER HB3 1 34 GLU H . . 5.010 3.463 2.477 4.420 . 0 0 "[ . 1 . 2]" 1
830 1 25 ARG HG2 1 27 THR MG . . 4.840 4.586 3.709 4.833 . 0 0 "[ . 1 . 2]" 1
831 1 25 ARG HG3 1 27 THR MG . . 4.840 4.226 3.799 4.764 . 0 0 "[ . 1 . 2]" 1
832 1 25 ARG HB2 1 27 THR MG . . 4.150 2.343 2.044 2.802 . 0 0 "[ . 1 . 2]" 1
833 1 18 GLU HG2 1 19 VAL H . . 4.890 4.220 3.125 4.898 0.008 14 0 "[ . 1 . 2]" 1
834 1 12 THR HA 1 14 TRP HE1 . . 4.910 4.334 2.631 4.909 . 0 0 "[ . 1 . 2]" 1
835 1 80 LEU H 1 80 LEU MD1 . . 3.650 3.470 3.316 3.611 . 0 0 "[ . 1 . 2]" 1
836 1 15 LEU HA 1 80 LEU MD1 . . 4.330 3.468 2.957 3.901 . 0 0 "[ . 1 . 2]" 1
837 1 80 LEU HB2 1 80 LEU MD1 . . 3.330 2.214 2.064 2.329 . 0 0 "[ . 1 . 2]" 1
838 1 80 LEU HB3 1 80 LEU MD1 . . 3.250 2.472 2.381 2.581 . 0 0 "[ . 1 . 2]" 1
839 1 70 LEU MD2 1 72 PRO HA . . 3.980 3.657 3.486 3.857 . 0 0 "[ . 1 . 2]" 1
840 1 41 PRO HD3 1 70 LEU MD2 . . 4.900 4.226 3.908 4.714 . 0 0 "[ . 1 . 2]" 1
841 1 70 LEU MD2 1 73 PRO HD3 . . 5.350 4.725 4.541 4.899 . 0 0 "[ . 1 . 2]" 1
842 1 70 LEU MD2 1 72 PRO HB3 . . 3.950 3.630 3.362 3.862 . 0 0 "[ . 1 . 2]" 1
843 1 70 LEU HB3 1 70 LEU MD2 . . 3.470 2.228 2.071 2.303 . 0 0 "[ . 1 . 2]" 1
844 1 70 LEU HB2 1 70 LEU MD2 . . 3.530 2.472 2.393 2.568 . 0 0 "[ . 1 . 2]" 1
845 1 30 ARG HA 1 30 ARG HG3 . . 4.010 3.432 3.147 3.807 . 0 0 "[ . 1 . 2]" 1
846 1 30 ARG HG3 1 35 CYS HA . . 5.500 4.707 3.611 5.289 . 0 0 "[ . 1 . 2]" 1
847 1 30 ARG HA 1 30 ARG HG2 . . 4.010 2.514 2.336 2.769 . 0 0 "[ . 1 . 2]" 1
848 1 30 ARG HG2 1 35 CYS HA . . 5.500 5.122 4.856 5.393 . 0 0 "[ . 1 . 2]" 1
849 1 17 LEU H 1 17 LEU MD1 . . 4.520 4.272 3.888 4.495 . 0 0 "[ . 1 . 2]" 1
850 1 17 LEU HA 1 17 LEU MD1 . . 4.020 3.862 3.830 3.920 . 0 0 "[ . 1 . 2]" 1
851 1 17 LEU HB2 1 17 LEU MD1 . . 3.150 2.276 2.152 2.366 . 0 0 "[ . 1 . 2]" 1
852 1 17 LEU MD1 1 76 LEU HB3 . . 3.800 2.836 2.197 3.188 . 0 0 "[ . 1 . 2]" 1
853 1 15 LEU H 1 15 LEU MD1 . . 4.620 3.728 3.515 4.029 . 0 0 "[ . 1 . 2]" 1
854 1 15 LEU HA 1 15 LEU MD1 . . 4.270 3.894 3.849 3.949 . 0 0 "[ . 1 . 2]" 1
855 1 15 LEU MD1 1 55 PHE HB2 . . 4.270 3.293 2.499 3.611 . 0 0 "[ . 1 . 2]" 1
856 1 57 SER HB3 1 71 HIS HE1 . . 4.950 3.584 3.211 3.916 . 0 0 "[ . 1 . 2]" 1
857 1 39 HIS HD2 1 40 PRO HD3 . . 4.880 4.539 4.486 4.649 . 0 0 "[ . 1 . 2]" 1
858 1 20 CYS HA 1 39 HIS HD2 . . 4.670 4.446 4.275 4.617 . 0 0 "[ . 1 . 2]" 1
859 1 19 VAL HA 1 39 HIS HD2 . . 4.910 4.488 4.268 4.692 . 0 0 "[ . 1 . 2]" 1
860 1 40 PRO HG3 1 51 VAL HB . . 4.510 2.469 2.304 2.732 . 0 0 "[ . 1 . 2]" 1
861 1 17 LEU MD2 1 76 LEU HB2 . . 4.880 4.563 4.235 4.849 . 0 0 "[ . 1 . 2]" 1
862 1 17 LEU MD1 1 76 LEU HB2 . . 4.260 3.900 3.524 4.174 . 0 0 "[ . 1 . 2]" 1
863 1 12 THR HB 1 52 ILE MD . . 4.530 3.383 2.393 4.524 . 0 0 "[ . 1 . 2]" 1
864 1 53 ALA MB 1 80 LEU HG . . 4.970 4.429 3.906 4.796 . 0 0 "[ . 1 . 2]" 1
865 1 76 LEU HB3 1 80 LEU HG . . 5.460 4.774 4.412 5.292 . 0 0 "[ . 1 . 2]" 1
866 1 17 LEU MD2 1 76 LEU MD1 . . 3.820 3.432 3.157 3.700 . 0 0 "[ . 1 . 2]" 1
867 1 18 GLU QB 1 37 PHE QE . . 4.590 3.285 2.227 4.117 . 0 0 "[ . 1 . 2]" 1
868 1 72 PRO HA 1 76 LEU MD1 . . 4.600 3.367 3.214 3.575 . 0 0 "[ . 1 . 2]" 1
869 1 54 CYS H 1 69 TYR HB2 . . 4.650 3.927 3.115 4.516 . 0 0 "[ . 1 . 2]" 1
870 1 54 CYS HB2 1 69 TYR HB2 . . 3.980 2.095 1.996 2.360 . 0 0 "[ . 1 . 2]" 1
871 1 69 TYR QD 1 70 LEU H . . 4.780 4.049 3.821 4.343 . 0 0 "[ . 1 . 2]" 1
872 1 52 ILE H 1 69 TYR QD . . 5.500 4.666 4.054 5.380 . 0 0 "[ . 1 . 2]" 1
873 1 54 CYS HB2 1 69 TYR QD . . 4.630 3.915 3.551 4.246 . 0 0 "[ . 1 . 2]" 1
874 1 68 LYS HA 1 68 LYS HD2 . . 5.500 4.681 3.621 5.506 0.006 2 0 "[ . 1 . 2]" 1
875 1 68 LYS HA 1 68 LYS HD3 . . 5.500 4.798 3.809 5.516 0.016 14 0 "[ . 1 . 2]" 1
876 1 65 GLU QB 1 66 ASN H . . 4.990 2.132 1.885 3.272 . 0 0 "[ . 1 . 2]" 1
877 1 57 SER HA 1 61 ARG HA . . 4.940 4.896 4.702 4.954 0.014 19 0 "[ . 1 . 2]" 1
878 1 56 ASP HB3 1 61 ARG HA . . 5.500 5.509 5.495 5.524 0.024 19 0 "[ . 1 . 2]" 1
879 1 70 LEU HG 1 72 PRO HA . . 4.330 3.636 3.586 3.720 . 0 0 "[ . 1 . 2]" 1
880 1 58 LEU MD2 1 77 LYS HE3 . . 4.700 4.020 2.325 4.653 . 0 0 "[ . 1 . 2]" 1
881 1 58 LEU MD2 1 77 LYS HE2 . . 4.700 4.100 2.959 4.696 . 0 0 "[ . 1 . 2]" 1
882 1 74 THR HA 1 77 LYS HE3 . . 4.700 3.413 1.997 4.686 . 0 0 "[ . 1 . 2]" 1
883 1 53 ALA HA 1 70 LEU MD2 . . 4.600 4.209 3.961 4.483 . 0 0 "[ . 1 . 2]" 1
884 1 70 LEU MD2 1 72 PRO HG3 . . 5.090 4.772 4.450 5.054 . 0 0 "[ . 1 . 2]" 1
885 1 70 LEU MD1 1 72 PRO HA . . 4.240 3.992 3.782 4.176 . 0 0 "[ . 1 . 2]" 1
886 1 58 LEU MD2 1 80 LEU HB2 . . 4.390 4.057 3.649 4.391 0.001 2 0 "[ . 1 . 2]" 1
887 1 35 CYS QB 1 37 PHE QD . . 5.500 4.383 3.837 5.045 . 0 0 "[ . 1 . 2]" 1
888 1 64 ARG HD3 1 67 CYS QB . . 5.210 4.290 3.229 5.147 . 0 0 "[ . 1 . 2]" 1
889 1 77 LYS HA 1 80 LEU MD2 . . 4.860 4.556 4.187 4.764 . 0 0 "[ . 1 . 2]" 1
890 1 77 LYS HA 1 77 LYS QD . . 4.080 3.928 3.667 4.071 . 0 0 "[ . 1 . 2]" 1
891 1 30 ARG HA 1 30 ARG HD3 . . 4.770 3.692 2.363 4.623 . 0 0 "[ . 1 . 2]" 1
892 1 30 ARG HA 1 30 ARG HD2 . . 4.770 4.226 3.413 4.653 . 0 0 "[ . 1 . 2]" 1
893 1 30 ARG HD2 1 34 GLU QB . . 4.540 4.030 3.063 4.541 0.001 6 0 "[ . 1 . 2]" 1
894 1 30 ARG HD3 1 34 GLU QB . . 4.540 3.574 2.579 4.542 0.002 14 0 "[ . 1 . 2]" 1
895 1 25 ARG H 1 25 ARG QD . . 4.720 3.605 1.822 4.231 . 0 0 "[ . 1 . 2]" 1
896 1 25 ARG HA 1 25 ARG QD . . 4.300 3.895 2.760 4.275 . 0 0 "[ . 1 . 2]" 1
897 1 22 GLN HA 1 25 ARG QD . . 4.330 3.517 2.682 4.313 . 0 0 "[ . 1 . 2]" 1
898 1 25 ARG HB3 1 25 ARG QD . . 3.720 2.648 2.171 3.298 . 0 0 "[ . 1 . 2]" 1
899 1 25 ARG QD 1 27 THR MG . . 4.580 3.362 2.877 4.485 . 0 0 "[ . 1 . 2]" 1
900 1 50 ARG HB3 1 50 ARG HD3 . . 3.870 3.554 2.661 3.828 . 0 0 "[ . 1 . 2]" 1
901 1 50 ARG HA 1 50 ARG HD2 . . 4.880 4.486 4.128 4.614 . 0 0 "[ . 1 . 2]" 1
902 1 38 ALA MB 1 40 PRO HA . . 5.110 4.891 4.797 4.963 . 0 0 "[ . 1 . 2]" 1
903 1 17 LEU H 1 38 ALA MB . . 5.500 5.191 4.685 5.481 . 0 0 "[ . 1 . 2]" 1
904 1 68 LYS QE 1 69 TYR QE . . 4.170 3.118 2.401 4.091 . 0 0 "[ . 1 . 2]" 1
905 1 40 PRO HA 1 41 PRO HG2 . . 4.840 4.226 4.156 4.334 . 0 0 "[ . 1 . 2]" 1
906 1 40 PRO HA 1 41 PRO HG3 . . 4.840 4.333 4.325 4.364 . 0 0 "[ . 1 . 2]" 1
907 1 78 THR MG 1 82 ILE MD . . 4.020 2.292 1.865 3.045 . 0 0 "[ . 1 . 2]" 1
908 1 82 ILE H 1 82 ILE MD . . 4.470 3.463 3.260 3.800 . 0 0 "[ . 1 . 2]" 1
909 1 76 LEU MD2 1 79 GLN HB3 . . 4.980 4.348 3.542 4.800 . 0 0 "[ . 1 . 2]" 1
910 1 76 LEU MD2 1 79 GLN HG3 . . 4.980 3.877 2.274 4.987 0.007 10 0 "[ . 1 . 2]" 1
911 1 79 GLN HG3 1 82 ILE MD . . 4.980 3.835 2.578 5.093 0.113 10 0 "[ . 1 . 2]" 1
912 1 79 GLN HG2 1 82 ILE MD . . 4.980 3.796 2.634 5.036 0.056 10 0 "[ . 1 . 2]" 1
913 1 78 THR MG 1 81 GLU QB . . 4.400 3.489 2.933 4.344 . 0 0 "[ . 1 . 2]" 1
914 1 74 THR MG 1 77 LYS QD . . 4.200 3.685 2.651 4.203 0.003 6 0 "[ . 1 . 2]" 1
915 1 36 LYS QB 1 76 LEU MD2 . . 4.560 3.628 2.940 4.172 . 0 0 "[ . 1 . 2]" 1
916 1 71 HIS HA 1 72 PRO HG2 . . 4.890 4.116 4.115 4.117 . 0 0 "[ . 1 . 2]" 1
917 1 53 ALA MB 1 71 HIS HA . . 5.500 4.157 3.857 4.475 . 0 0 "[ . 1 . 2]" 1
918 1 70 LEU HG 1 71 HIS HA . . 5.500 3.681 3.572 3.775 . 0 0 "[ . 1 . 2]" 1
919 1 58 LEU MD2 1 71 HIS HA . . 5.040 4.910 4.666 5.036 . 0 0 "[ . 1 . 2]" 1
920 1 70 LEU HA 1 71 HIS HB2 . . 4.810 4.631 4.500 4.730 . 0 0 "[ . 1 . 2]" 1
921 1 40 PRO HG3 1 70 LEU MD1 . . 4.980 4.891 4.430 5.000 0.020 6 0 "[ . 1 . 2]" 1
922 1 40 PRO HG2 1 70 LEU MD1 . . 5.190 5.026 4.728 5.130 . 0 0 "[ . 1 . 2]" 1
923 1 70 LEU MD2 1 76 LEU MD1 . . 4.390 4.299 4.047 4.404 0.014 17 0 "[ . 1 . 2]" 1
924 1 64 ARG HB3 1 67 CYS HA . . 4.530 2.407 2.126 2.708 . 0 0 "[ . 1 . 2]" 1
925 1 72 PRO HB2 1 73 PRO HD3 . . 4.850 4.053 3.962 4.133 . 0 0 "[ . 1 . 2]" 1
926 1 58 LEU HA 1 58 LEU HG . . 4.240 3.133 3.047 3.243 . 0 0 "[ . 1 . 2]" 1
927 1 58 LEU HA 1 77 LYS QD . . 4.140 2.470 1.973 3.618 . 0 0 "[ . 1 . 2]" 1
928 1 36 LYS HA 1 36 LYS HG2 . . 4.200 3.447 2.360 4.188 . 0 0 "[ . 1 . 2]" 1
929 1 55 PHE HA 1 58 LEU HB3 . . 5.390 5.121 5.009 5.271 . 0 0 "[ . 1 . 2]" 1
930 1 12 THR HA 1 52 ILE MD . . 5.500 5.244 4.500 5.487 . 0 0 "[ . 1 . 2]" 1
931 1 41 PRO HD2 1 70 LEU MD2 . . 4.900 4.113 3.898 4.453 . 0 0 "[ . 1 . 2]" 1
932 1 39 HIS HA 1 40 PRO HB3 . . 5.210 5.062 5.059 5.069 . 0 0 "[ . 1 . 2]" 1
933 1 39 HIS HA 1 40 PRO HG3 . . 4.930 4.446 4.444 4.454 . 0 0 "[ . 1 . 2]" 1
934 1 39 HIS HA 1 40 PRO HG2 . . 5.100 4.120 4.119 4.122 . 0 0 "[ . 1 . 2]" 1
935 1 23 PHE HZ 1 40 PRO HG2 . . 4.990 4.117 3.752 4.407 . 0 0 "[ . 1 . 2]" 1
936 1 23 PHE QD 1 40 PRO HG2 . . 5.210 4.017 3.785 4.261 . 0 0 "[ . 1 . 2]" 1
937 1 21 ARG HA 1 24 GLN HG2 . . 4.490 4.245 3.575 4.500 0.010 3 0 "[ . 1 . 2]" 1
938 1 19 VAL MG2 1 24 GLN HG2 . . 5.200 4.434 4.100 4.813 . 0 0 "[ . 1 . 2]" 1
939 1 24 GLN HG2 1 46 VAL MG1 . . 5.500 4.463 3.979 5.038 . 0 0 "[ . 1 . 2]" 1
940 1 19 VAL MG2 1 24 GLN HG3 . . 5.200 4.785 4.493 5.110 . 0 0 "[ . 1 . 2]" 1
941 1 24 GLN HG3 1 46 VAL MG1 . . 5.500 4.769 4.209 5.358 . 0 0 "[ . 1 . 2]" 1
942 1 19 VAL MG1 1 23 PHE HB3 . . 4.840 3.229 2.861 3.568 . 0 0 "[ . 1 . 2]" 1
943 1 22 GLN HA 1 28 CYS HB2 . . 4.890 4.385 4.158 4.583 . 0 0 "[ . 1 . 2]" 1
944 1 22 GLN HG3 1 28 CYS HA . . 5.500 4.711 3.780 5.433 . 0 0 "[ . 1 . 2]" 1
945 1 22 GLN HG2 1 28 CYS HA . . 5.500 4.829 3.905 5.501 0.001 5 0 "[ . 1 . 2]" 1
946 1 19 VAL MG1 1 20 CYS HB3 . . 5.050 3.518 3.264 3.752 . 0 0 "[ . 1 . 2]" 1
947 1 20 CYS HB3 1 39 HIS HA . . 5.500 4.012 3.790 4.244 . 0 0 "[ . 1 . 2]" 1
948 1 20 CYS HB2 1 39 HIS HA . . 4.940 4.718 4.448 4.901 . 0 0 "[ . 1 . 2]" 1
949 1 19 VAL HA 1 38 ALA MB . . 3.810 3.490 3.049 3.749 . 0 0 "[ . 1 . 2]" 1
950 1 79 GLN HG2 1 80 LEU H . . 5.300 4.588 2.057 5.305 0.005 6 0 "[ . 1 . 2]" 1
951 1 79 GLN HG3 1 80 LEU H . . 5.300 4.656 3.315 5.169 . 0 0 "[ . 1 . 2]" 1
952 1 38 ALA H 1 76 LEU MD2 . . 5.020 4.368 3.970 4.994 . 0 0 "[ . 1 . 2]" 1
953 1 72 PRO HB3 1 73 PRO HD2 . . 4.460 3.087 3.016 3.152 . 0 0 "[ . 1 . 2]" 1
954 1 72 PRO HB3 1 73 PRO HD3 . . 4.460 4.155 4.087 4.215 . 0 0 "[ . 1 . 2]" 1
955 1 54 CYS H 1 72 PRO HD2 . . 4.980 3.165 2.945 3.506 . 0 0 "[ . 1 . 2]" 1
956 1 71 HIS HD2 1 72 PRO HD2 . . 4.960 4.574 4.353 4.874 . 0 0 "[ . 1 . 2]" 1
957 1 71 HIS HD2 1 72 PRO HD3 . . 5.110 4.670 4.522 4.865 . 0 0 "[ . 1 . 2]" 1
958 1 54 CYS HB2 1 72 PRO HD3 . . 5.460 5.142 4.826 5.405 . 0 0 "[ . 1 . 2]" 1
959 1 44 CYS H 1 68 LYS HA . . 5.310 4.838 4.261 5.140 . 0 0 "[ . 1 . 2]" 1
960 1 64 ARG H 1 64 ARG HD3 . . 5.280 4.412 3.437 5.186 . 0 0 "[ . 1 . 2]" 1
961 1 64 ARG H 1 64 ARG HD2 . . 5.280 4.627 3.549 5.223 . 0 0 "[ . 1 . 2]" 1
962 1 64 ARG HD2 1 67 CYS QB . . 5.210 4.628 3.568 5.215 0.005 15 0 "[ . 1 . 2]" 1
963 1 58 LEU HA 1 59 LYS HA . . 5.500 4.757 4.739 4.772 . 0 0 "[ . 1 . 2]" 1
964 1 59 LYS HA 1 60 GLY HA3 . . 5.500 4.513 4.502 4.517 . 0 0 "[ . 1 . 2]" 1
965 1 57 SER HB2 1 62 CYS HB3 . . 5.490 5.429 5.232 5.504 0.014 11 0 "[ . 1 . 2]" 1
966 1 54 CYS HA 1 57 SER HB3 . . 5.060 4.950 4.806 5.063 0.003 11 0 "[ . 1 . 2]" 1
967 1 57 SER HB2 1 60 GLY HA2 . . 5.370 5.130 4.954 5.306 . 0 0 "[ . 1 . 2]" 1
968 1 46 VAL HA 1 51 VAL HB . . 5.050 3.260 3.035 3.432 . 0 0 "[ . 1 . 2]" 1
969 1 19 VAL MG1 1 50 ARG HA . . 5.110 4.851 4.514 5.113 0.003 6 0 "[ . 1 . 2]" 1
970 1 26 GLY H 1 27 THR MG . . 4.650 3.666 3.441 3.926 . 0 0 "[ . 1 . 2]" 1
971 1 22 GLN HA 1 25 ARG HB3 . . 4.880 4.777 4.499 4.887 0.007 3 0 "[ . 1 . 2]" 1
972 1 23 PHE HB3 1 24 GLN HA . . 4.870 4.367 4.247 4.475 . 0 0 "[ . 1 . 2]" 1
973 1 20 CYS HB3 1 23 PHE HA . . 4.900 4.353 4.176 4.546 . 0 0 "[ . 1 . 2]" 1
974 1 22 GLN HA 1 27 THR MG . . 4.900 3.087 2.197 4.253 . 0 0 "[ . 1 . 2]" 1
975 1 22 GLN HA 1 24 GLN H . . 4.750 4.520 4.213 4.710 . 0 0 "[ . 1 . 2]" 1
976 1 16 THR MG 1 50 ARG HB3 . . 3.990 3.719 2.803 3.994 0.004 15 0 "[ . 1 . 2]" 1
977 1 16 THR MG 1 52 ILE HG13 . . 3.970 3.374 2.623 3.822 . 0 0 "[ . 1 . 2]" 1
978 1 12 THR HA 1 15 LEU HB3 . . 5.500 4.642 4.136 5.489 . 0 0 "[ . 1 . 2]" 1
979 1 15 LEU MD2 1 53 ALA H . . 5.000 4.280 3.336 4.811 . 0 0 "[ . 1 . 2]" 1
980 1 15 LEU MD2 1 55 PHE H . . 5.280 4.904 4.398 5.270 . 0 0 "[ . 1 . 2]" 1
981 1 14 TRP HE3 1 15 LEU MD2 . . 5.020 3.681 3.079 4.811 . 0 0 "[ . 1 . 2]" 1
982 1 14 TRP HZ2 1 15 LEU MD2 . . 4.830 3.355 2.634 4.079 . 0 0 "[ . 1 . 2]" 1
983 1 14 TRP HZ3 1 15 LEU MD2 . . 4.870 3.328 2.935 4.653 . 0 0 "[ . 1 . 2]" 1
984 1 15 LEU MD2 1 55 PHE HB3 . . 5.500 5.354 4.867 5.507 0.007 2 0 "[ . 1 . 2]" 1
985 1 14 TRP QB 1 15 LEU H . . 4.750 3.792 3.421 4.030 . 0 0 "[ . 1 . 2]" 1
986 1 80 LEU HA 1 80 LEU MD1 . . 4.580 3.893 3.849 3.922 . 0 0 "[ . 1 . 2]" 1
987 1 23 PHE QD 1 39 HIS HD2 . . 5.030 3.870 3.514 4.271 . 0 0 "[ . 1 . 2]" 1
988 1 56 ASP H 1 62 CYS HB2 . . 5.500 5.333 5.213 5.490 . 0 0 "[ . 1 . 2]" 1
989 1 70 LEU HG 1 72 PRO HB3 . . 4.580 4.127 4.004 4.284 . 0 0 "[ . 1 . 2]" 1
990 1 56 ASP HA 1 59 LYS HG2 . . 4.930 3.911 3.048 4.724 . 0 0 "[ . 1 . 2]" 1
991 1 56 ASP HA 1 59 LYS HG3 . . 4.930 3.921 3.183 4.965 0.035 12 0 "[ . 1 . 2]" 1
992 1 17 LEU H 1 52 ILE HA . . 4.340 3.787 3.194 4.005 . 0 0 "[ . 1 . 2]" 1
993 1 12 THR MG 1 52 ILE MD . . 3.800 2.680 1.933 3.752 . 0 0 "[ . 1 . 2]" 1
994 1 40 PRO HG3 1 51 VAL HA . . 4.800 4.717 4.458 4.803 0.003 2 0 "[ . 1 . 2]" 1
995 1 49 GLY HA3 1 50 ARG HA . . 4.860 4.685 4.672 4.694 . 0 0 "[ . 1 . 2]" 1
996 1 40 PRO HG2 1 51 VAL HB . . 4.350 4.107 3.972 4.284 . 0 0 "[ . 1 . 2]" 1
997 1 23 PHE HB3 1 40 PRO HD2 . . 4.920 4.566 4.334 4.836 . 0 0 "[ . 1 . 2]" 1
998 1 25 ARG HB3 1 27 THR MG . . 4.010 3.012 2.464 3.408 . 0 0 "[ . 1 . 2]" 1
999 1 52 ILE MG 1 53 ALA HA . . 4.550 3.935 3.798 4.100 . 0 0 "[ . 1 . 2]" 1
1000 1 13 LYS H 1 13 LYS QB . . 3.410 2.420 2.241 2.751 . 0 0 "[ . 1 . 2]" 1
1001 1 13 LYS HA 1 13 LYS QG . . 3.700 2.762 2.266 3.437 . 0 0 "[ . 1 . 2]" 1
1002 1 13 LYS HA 1 13 LYS QD . . 4.340 3.545 2.164 4.264 . 0 0 "[ . 1 . 2]" 1
1003 1 13 LYS QB 1 13 LYS QD . . 3.120 2.182 2.034 2.533 . 0 0 "[ . 1 . 2]" 1
1004 1 13 LYS QB 1 14 TRP H . . 4.010 2.804 2.383 3.567 . 0 0 "[ . 1 . 2]" 1
1005 1 13 LYS QB 1 14 TRP HD1 . . 4.880 3.799 2.824 4.752 . 0 0 "[ . 1 . 2]" 1
1006 1 13 LYS QG 1 14 TRP H . . 4.700 3.405 1.927 4.270 . 0 0 "[ . 1 . 2]" 1
1007 1 16 THR HB 1 50 ARG QD . . 4.430 2.240 1.954 3.120 . 0 0 "[ . 1 . 2]" 1
1008 1 16 THR MG 1 50 ARG QD . . 3.550 2.701 2.319 3.478 . 0 0 "[ . 1 . 2]" 1
1009 1 16 THR MG 1 52 ILE QG . . 3.480 2.500 2.138 2.850 . 0 0 "[ . 1 . 2]" 1
1010 1 18 GLU H 1 18 GLU QG . . 4.050 3.061 1.897 4.056 0.006 7 0 "[ . 1 . 2]" 1
1011 1 18 GLU HA 1 18 GLU QG . . 3.710 2.519 2.268 3.336 . 0 0 "[ . 1 . 2]" 1
1012 1 18 GLU HA 1 50 ARG QD . . 4.700 4.433 3.514 4.701 0.001 18 0 "[ . 1 . 2]" 1
1013 1 18 GLU QG 1 19 VAL H . . 4.280 3.611 2.790 4.286 0.006 14 0 "[ . 1 . 2]" 1
1014 1 18 GLU QG 1 50 ARG HG3 . . 5.340 4.119 3.096 5.350 0.010 2 0 "[ . 1 . 2]" 1
1015 1 19 VAL HB 1 24 GLN QG . . 5.030 3.555 2.867 4.072 . 0 0 "[ . 1 . 2]" 1
1016 1 19 VAL MG1 1 24 GLN QG . . 3.270 2.118 1.904 2.356 . 0 0 "[ . 1 . 2]" 1
1017 1 19 VAL MG2 1 24 GLN QG . . 4.550 4.083 3.800 4.372 . 0 0 "[ . 1 . 2]" 1
1018 1 21 ARG H 1 21 ARG QG . . 4.480 3.474 1.795 4.056 . 0 0 "[ . 1 . 2]" 1
1019 1 21 ARG H 1 21 ARG QD . . 4.600 3.717 1.867 4.637 0.037 2 0 "[ . 1 . 2]" 1
1020 1 21 ARG HA 1 21 ARG QG . . 3.420 2.554 2.125 3.435 0.015 5 0 "[ . 1 . 2]" 1
1021 1 21 ARG HA 1 21 ARG QD . . 4.010 3.369 2.163 4.095 0.085 18 0 "[ . 1 . 2]" 1
1022 1 21 ARG HA 1 24 GLN QG . . 3.840 3.402 2.703 3.806 . 0 0 "[ . 1 . 2]" 1
1023 1 21 ARG QB 1 21 ARG QD . . 3.310 2.215 2.037 2.678 . 0 0 "[ . 1 . 2]" 1
1024 1 21 ARG QG 1 22 GLN HA . . 5.340 4.301 3.101 5.425 0.085 4 0 "[ . 1 . 2]" 1
1025 1 22 GLN H 1 22 GLN QG . . 3.370 2.413 1.947 3.307 . 0 0 "[ . 1 . 2]" 1
1026 1 22 GLN HA 1 22 GLN QG . . 3.360 2.566 2.202 3.074 . 0 0 "[ . 1 . 2]" 1
1027 1 22 GLN HA 1 25 ARG QG . . 4.280 3.610 3.079 4.289 0.009 13 0 "[ . 1 . 2]" 1
1028 1 22 GLN QG 1 28 CYS HA . . 4.820 4.088 3.685 4.811 . 0 0 "[ . 1 . 2]" 1
1029 1 23 PHE HB2 1 39 HIS QB . . 4.640 3.480 3.184 3.793 . 0 0 "[ . 1 . 2]" 1
1030 1 23 PHE HB3 1 39 HIS QB . . 5.340 4.212 3.914 4.618 . 0 0 "[ . 1 . 2]" 1
1031 1 23 PHE QD 1 24 GLN QG . . 4.420 3.141 2.583 3.479 . 0 0 "[ . 1 . 2]" 1
1032 1 23 PHE QD 1 39 HIS QB . . 4.780 2.964 2.725 3.336 . 0 0 "[ . 1 . 2]" 1
1033 1 23 PHE HZ 1 39 HIS QB . . 4.880 3.518 3.146 3.964 . 0 0 "[ . 1 . 2]" 1
1034 1 24 GLN H 1 24 GLN QG . . 3.330 2.513 2.217 2.728 . 0 0 "[ . 1 . 2]" 1
1035 1 24 GLN HA 1 24 GLN QG . . 3.420 2.554 2.304 2.799 . 0 0 "[ . 1 . 2]" 1
1036 1 24 GLN HA 1 24 GLN QE . . 5.070 3.059 1.951 4.210 . 0 0 "[ . 1 . 2]" 1
1037 1 24 GLN QG 1 25 ARG H . . 5.160 4.159 3.872 4.342 . 0 0 "[ . 1 . 2]" 1
1038 1 24 GLN QG 1 46 VAL MG1 . . 4.800 4.083 3.675 4.565 . 0 0 "[ . 1 . 2]" 1
1039 1 25 ARG H 1 25 ARG QG . . 3.290 2.331 1.969 3.304 0.014 4 0 "[ . 1 . 2]" 1
1040 1 25 ARG H 1 26 GLY QA . . 5.040 4.451 4.363 4.528 . 0 0 "[ . 1 . 2]" 1
1041 1 25 ARG HA 1 25 ARG QG . . 3.440 2.445 2.338 2.518 . 0 0 "[ . 1 . 2]" 1
1042 1 25 ARG QG 1 27 THR H . . 4.980 4.916 4.611 4.997 0.017 4 0 "[ . 1 . 2]" 1
1043 1 25 ARG QG 1 27 THR MG . . 4.120 3.848 3.575 4.117 . 0 0 "[ . 1 . 2]" 1
1044 1 26 GLY QA 1 27 THR MG . . 4.750 4.018 3.638 4.323 . 0 0 "[ . 1 . 2]" 1
1045 1 30 ARG H 1 30 ARG QB . . 3.190 2.515 2.392 2.581 . 0 0 "[ . 1 . 2]" 1
1046 1 30 ARG H 1 30 ARG QD . . 4.580 4.472 4.271 4.595 0.015 1 0 "[ . 1 . 2]" 1
1047 1 30 ARG HA 1 30 ARG QG . . 3.510 2.453 2.298 2.706 . 0 0 "[ . 1 . 2]" 1
1048 1 30 ARG QB 1 30 ARG QD . . 3.290 2.125 2.055 2.216 . 0 0 "[ . 1 . 2]" 1
1049 1 30 ARG QB 1 31 SER H . . 3.420 3.048 2.528 3.425 0.005 13 0 "[ . 1 . 2]" 1
1050 1 30 ARG QB 1 35 CYS H . . 3.780 2.797 2.395 3.033 . 0 0 "[ . 1 . 2]" 1
1051 1 30 ARG QB 1 35 CYS HA . . 4.390 2.986 2.558 3.403 . 0 0 "[ . 1 . 2]" 1
1052 1 30 ARG QB 1 35 CYS QB . . 3.450 1.958 1.829 2.115 . 0 0 "[ . 1 . 2]" 1
1053 1 30 ARG QB 1 39 HIS HE1 . . 4.230 3.079 2.476 3.499 . 0 0 "[ . 1 . 2]" 1
1054 1 30 ARG QG 1 31 SER H . . 4.660 4.202 3.894 4.615 . 0 0 "[ . 1 . 2]" 1
1055 1 30 ARG QG 1 35 CYS HA . . 4.670 4.301 3.518 4.658 . 0 0 "[ . 1 . 2]" 1
1056 1 30 ARG QD 1 34 GLU QB . . 3.880 3.250 2.553 3.822 . 0 0 "[ . 1 . 2]" 1
1057 1 30 ARG QD 1 34 GLU QG . . 4.970 3.840 2.091 4.949 . 0 0 "[ . 1 . 2]" 1
1058 1 30 ARG QD 1 35 CYS HA . . 3.800 2.765 2.502 2.992 . 0 0 "[ . 1 . 2]" 1
1059 1 30 ARG QD 1 35 CYS QB . . 4.610 3.328 2.865 3.789 . 0 0 "[ . 1 . 2]" 1
1060 1 30 ARG QD 1 36 LYS H . . 4.570 4.356 3.955 4.578 0.008 2 0 "[ . 1 . 2]" 1
1061 1 31 SER H 1 31 SER QB . . 3.110 2.351 2.162 2.685 . 0 0 "[ . 1 . 2]" 1
1062 1 31 SER QB 1 32 ASP H . . 3.290 2.412 1.933 3.302 0.012 3 0 "[ . 1 . 2]" 1
1063 1 31 SER QB 1 33 GLU H . . 3.780 2.748 2.445 3.218 . 0 0 "[ . 1 . 2]" 1
1064 1 31 SER QB 1 33 GLU QB . . 4.330 3.640 2.999 4.333 0.003 9 0 "[ . 1 . 2]" 1
1065 1 31 SER QB 1 34 GLU H . . 4.380 2.942 2.455 3.760 . 0 0 "[ . 1 . 2]" 1
1066 1 31 SER QB 1 34 GLU QB . . 3.850 2.664 1.980 3.703 . 0 0 "[ . 1 . 2]" 1
1067 1 32 ASP H 1 32 ASP QB . . 3.410 2.447 2.194 2.827 . 0 0 "[ . 1 . 2]" 1
1068 1 32 ASP QB 1 33 GLU H . . 3.660 2.932 2.574 3.411 . 0 0 "[ . 1 . 2]" 1
1069 1 32 ASP QB 1 33 GLU QB . . 4.430 4.201 3.734 4.472 0.042 16 0 "[ . 1 . 2]" 1
1070 1 33 GLU H 1 33 GLU QB . . 3.060 2.312 2.187 2.568 . 0 0 "[ . 1 . 2]" 1
1071 1 33 GLU HA 1 73 PRO QG . . 5.210 3.824 3.017 4.281 . 0 0 "[ . 1 . 2]" 1
1072 1 33 GLU QB 1 34 GLU H . . 3.880 3.278 2.995 3.830 . 0 0 "[ . 1 . 2]" 1
1073 1 36 LYS HA 1 36 LYS QE . . 5.340 4.737 3.665 5.364 0.024 19 0 "[ . 1 . 2]" 1
1074 1 36 LYS QE 1 37 PHE QD . . 4.070 3.932 3.596 4.097 0.027 5 0 "[ . 1 . 2]" 1
1075 1 38 ALA MB 1 73 PRO QD . . 4.340 3.403 3.053 3.998 . 0 0 "[ . 1 . 2]" 1
1076 1 39 HIS H 1 39 HIS QB . . 3.570 2.681 2.628 2.768 . 0 0 "[ . 1 . 2]" 1
1077 1 40 PRO HB2 1 41 PRO QD . . 3.930 3.231 2.863 3.525 . 0 0 "[ . 1 . 2]" 1
1078 1 40 PRO HB3 1 41 PRO QD . . 4.350 3.352 3.106 3.560 . 0 0 "[ . 1 . 2]" 1
1079 1 41 PRO QB 1 43 SER H . . 4.430 2.639 2.397 2.921 . 0 0 "[ . 1 . 2]" 1
1080 1 41 PRO QB 1 43 SER QB . . 4.680 3.551 2.966 4.205 . 0 0 "[ . 1 . 2]" 1
1081 1 41 PRO QB 1 44 CYS H . . 4.450 3.143 2.996 3.659 . 0 0 "[ . 1 . 2]" 1
1082 1 41 PRO QG 1 44 CYS H . . 4.120 2.294 2.064 3.079 . 0 0 "[ . 1 . 2]" 1
1083 1 41 PRO QG 1 44 CYS HB2 . . 4.430 2.236 1.971 2.773 . 0 0 "[ . 1 . 2]" 1
1084 1 41 PRO QG 1 70 LEU HA . . 4.960 3.942 3.684 4.447 . 0 0 "[ . 1 . 2]" 1
1085 1 41 PRO QG 1 70 LEU MD1 . . 4.730 3.393 3.078 3.743 . 0 0 "[ . 1 . 2]" 1
1086 1 41 PRO QD 1 44 CYS HB3 . . 4.610 3.078 2.863 3.330 . 0 0 "[ . 1 . 2]" 1
1087 1 41 PRO QD 1 70 LEU HA . . 5.140 3.051 2.760 3.403 . 0 0 "[ . 1 . 2]" 1
1088 1 43 SER QB 1 44 CYS HA . . 4.720 4.085 3.892 4.428 . 0 0 "[ . 1 . 2]" 1
1089 1 43 SER QB 1 66 ASN HA . . 4.460 4.273 3.962 4.465 0.005 17 0 "[ . 1 . 2]" 1
1090 1 43 SER QB 1 66 ASN QB . . 4.760 4.408 3.712 4.754 . 0 0 "[ . 1 . 2]" 1
1091 1 43 SER QB 1 68 LYS HA . . 4.830 4.516 3.862 4.834 0.004 7 0 "[ . 1 . 2]" 1
1092 1 44 CYS HA 1 45 GLN QB . . 4.750 4.078 4.027 4.252 . 0 0 "[ . 1 . 2]" 1
1093 1 45 GLN H 1 45 GLN QB . . 3.080 2.239 2.166 2.296 . 0 0 "[ . 1 . 2]" 1
1094 1 45 GLN H 1 45 GLN QG . . 4.700 3.890 2.858 4.093 . 0 0 "[ . 1 . 2]" 1
1095 1 45 GLN QB 1 46 VAL H . . 4.090 3.507 2.362 3.918 . 0 0 "[ . 1 . 2]" 1
1096 1 45 GLN QB 1 68 LYS QB . . 4.120 2.695 2.187 3.563 . 0 0 "[ . 1 . 2]" 1
1097 1 45 GLN QG 1 46 VAL H . . 4.190 2.719 1.945 3.944 . 0 0 "[ . 1 . 2]" 1
1098 1 47 GLU H 1 47 GLU QB . . 3.400 2.279 2.193 2.403 . 0 0 "[ . 1 . 2]" 1
1099 1 47 GLU H 1 47 GLU QG . . 4.590 3.552 2.477 4.114 . 0 0 "[ . 1 . 2]" 1
1100 1 50 ARG HA 1 50 ARG QD . . 4.240 4.014 3.756 4.110 . 0 0 "[ . 1 . 2]" 1
1101 1 50 ARG HB2 1 50 ARG QD . . 3.650 2.559 2.131 2.895 . 0 0 "[ . 1 . 2]" 1
1102 1 52 ILE H 1 52 ILE QG . . 3.450 2.301 1.929 2.542 . 0 0 "[ . 1 . 2]" 1
1103 1 52 ILE HA 1 52 ILE QG . . 3.420 2.462 2.381 2.626 . 0 0 "[ . 1 . 2]" 1
1104 1 52 ILE QG 1 52 ILE MG . . 3.120 2.236 2.156 2.356 . 0 0 "[ . 1 . 2]" 1
1105 1 52 ILE MG 1 69 TYR QB . . 4.370 3.616 2.933 4.276 . 0 0 "[ . 1 . 2]" 1
1106 1 52 ILE QG 1 53 ALA H . . 4.390 4.100 3.924 4.233 . 0 0 "[ . 1 . 2]" 1
1107 1 52 ILE QG 1 69 TYR QD . . 5.340 4.592 4.094 5.009 . 0 0 "[ . 1 . 2]" 1
1108 1 53 ALA HA 1 69 TYR QB . . 4.760 3.505 2.981 3.864 . 0 0 "[ . 1 . 2]" 1
1109 1 53 ALA MB 1 69 TYR QB . . 5.340 4.429 4.042 4.767 . 0 0 "[ . 1 . 2]" 1
1110 1 54 CYS H 1 69 TYR QB . . 4.000 2.867 2.520 3.256 . 0 0 "[ . 1 . 2]" 1
1111 1 54 CYS HA 1 69 TYR QB . . 3.350 2.207 1.926 2.461 . 0 0 "[ . 1 . 2]" 1
1112 1 56 ASP HA 1 59 LYS QB . . 4.030 3.486 3.216 3.837 . 0 0 "[ . 1 . 2]" 1
1113 1 56 ASP HA 1 59 LYS QG . . 4.320 3.466 2.862 4.244 . 0 0 "[ . 1 . 2]" 1
1114 1 56 ASP HB3 1 61 ARG QB . . 5.340 5.046 4.820 5.286 . 0 0 "[ . 1 . 2]" 1
1115 1 58 LEU HA 1 77 LYS QG . . 4.950 3.487 3.085 4.392 . 0 0 "[ . 1 . 2]" 1
1116 1 58 LEU HA 1 77 LYS QE . . 5.340 3.371 2.113 4.935 . 0 0 "[ . 1 . 2]" 1
1117 1 58 LEU MD2 1 77 LYS QB . . 4.530 3.547 2.585 4.011 . 0 0 "[ . 1 . 2]" 1
1118 1 58 LEU MD2 1 77 LYS QG . . 3.270 2.201 1.849 2.625 . 0 0 "[ . 1 . 2]" 1
1119 1 59 LYS H 1 59 LYS QB . . 3.330 2.348 2.165 2.581 . 0 0 "[ . 1 . 2]" 1
1120 1 59 LYS H 1 59 LYS QG . . 3.700 2.535 1.911 3.167 . 0 0 "[ . 1 . 2]" 1
1121 1 59 LYS HA 1 59 LYS QG . . 3.700 2.634 2.239 2.982 . 0 0 "[ . 1 . 2]" 1
1122 1 59 LYS QB 1 60 GLY H . . 4.110 2.841 2.760 2.984 . 0 0 "[ . 1 . 2]" 1
1123 1 59 LYS QB 1 61 ARG H . . 4.540 2.654 2.510 2.790 . 0 0 "[ . 1 . 2]" 1
1124 1 59 LYS QE 1 59 LYS QG . . 3.460 2.214 2.058 2.579 . 0 0 "[ . 1 . 2]" 1
1125 1 61 ARG H 1 61 ARG QB . . 3.540 2.636 2.502 3.157 . 0 0 "[ . 1 . 2]" 1
1126 1 61 ARG H 1 61 ARG QG . . 4.580 3.464 2.199 4.240 . 0 0 "[ . 1 . 2]" 1
1127 1 61 ARG HA 1 61 ARG QG . . 3.650 2.611 2.238 3.462 . 0 0 "[ . 1 . 2]" 1
1128 1 61 ARG QB 1 61 ARG QD . . 3.370 2.311 2.105 2.622 . 0 0 "[ . 1 . 2]" 1
1129 1 64 ARG H 1 64 ARG QB . . 3.080 2.456 2.279 2.714 . 0 0 "[ . 1 . 2]" 1
1130 1 64 ARG H 1 64 ARG QG . . 3.560 2.335 1.987 2.665 . 0 0 "[ . 1 . 2]" 1
1131 1 64 ARG H 1 64 ARG QD . . 4.650 3.962 3.241 4.478 . 0 0 "[ . 1 . 2]" 1
1132 1 64 ARG HA 1 64 ARG QD . . 4.780 3.285 1.981 4.163 . 0 0 "[ . 1 . 2]" 1
1133 1 64 ARG QB 1 67 CYS H . . 4.010 2.846 2.657 3.109 . 0 0 "[ . 1 . 2]" 1
1134 1 64 ARG QB 1 67 CYS QB . . 3.450 2.105 1.848 2.298 . 0 0 "[ . 1 . 2]" 1
1135 1 64 ARG QG 1 67 CYS HA . . 4.890 3.907 3.477 4.299 . 0 0 "[ . 1 . 2]" 1
1136 1 64 ARG QG 1 67 CYS QB . . 4.300 3.957 3.500 4.223 . 0 0 "[ . 1 . 2]" 1
1137 1 64 ARG QD 1 67 CYS HA . . 4.420 3.076 2.445 3.954 . 0 0 "[ . 1 . 2]" 1
1138 1 64 ARG QD 1 67 CYS QB . . 4.480 3.826 3.177 4.425 . 0 0 "[ . 1 . 2]" 1
1139 1 68 LYS H 1 68 LYS QB . . 3.310 2.673 2.412 3.001 . 0 0 "[ . 1 . 2]" 1
1140 1 68 LYS H 1 68 LYS QG . . 3.530 2.057 1.888 2.379 . 0 0 "[ . 1 . 2]" 1
1141 1 68 LYS HA 1 68 LYS QG . . 3.710 3.314 2.656 3.419 . 0 0 "[ . 1 . 2]" 1
1142 1 68 LYS QB 1 69 TYR H . . 4.200 3.903 3.185 4.048 . 0 0 "[ . 1 . 2]" 1
1143 1 68 LYS QB 1 69 TYR QD . . 5.340 4.171 2.878 4.718 . 0 0 "[ . 1 . 2]" 1
1144 1 68 LYS QE 1 68 LYS QG . . 3.430 2.223 2.046 2.532 . 0 0 "[ . 1 . 2]" 1
1145 1 68 LYS QG 1 69 TYR H . . 4.320 3.524 2.476 3.872 . 0 0 "[ . 1 . 2]" 1
1146 1 68 LYS QG 1 69 TYR QE . . 4.890 2.858 1.970 4.149 . 0 0 "[ . 1 . 2]" 1
1147 1 69 TYR H 1 69 TYR QB . . 3.370 2.592 2.379 2.749 . 0 0 "[ . 1 . 2]" 1
1148 1 69 TYR QB 1 70 LEU H . . 3.490 2.949 2.748 3.092 . 0 0 "[ . 1 . 2]" 1
1149 1 69 TYR QB 1 70 LEU HA . . 5.340 4.476 4.387 4.526 . 0 0 "[ . 1 . 2]" 1
1150 1 69 TYR QB 1 71 HIS HD2 . . 4.700 3.787 3.534 4.112 . 0 0 "[ . 1 . 2]" 1
1151 1 70 LEU MD1 1 73 PRO QD . . 5.350 4.515 4.322 4.655 . 0 0 "[ . 1 . 2]" 1
1152 1 70 LEU MD2 1 73 PRO QD . . 4.580 4.251 4.114 4.403 . 0 0 "[ . 1 . 2]" 1
1153 1 72 PRO HA 1 73 PRO QD . . 2.730 2.008 1.985 2.034 . 0 0 "[ . 1 . 2]" 1
1154 1 72 PRO HB2 1 73 PRO QD . . 4.240 2.703 2.591 2.804 . 0 0 "[ . 1 . 2]" 1
1155 1 72 PRO HB3 1 73 PRO QD . . 3.920 3.008 2.941 3.069 . 0 0 "[ . 1 . 2]" 1
1156 1 73 PRO QB 1 75 HIS HD2 . . 5.060 4.618 4.430 4.791 . 0 0 "[ . 1 . 2]" 1
1157 1 73 PRO QB 1 75 HIS HE1 . . 3.580 2.144 2.061 2.327 . 0 0 "[ . 1 . 2]" 1
1158 1 73 PRO QB 1 76 LEU H . . 4.690 3.192 3.075 3.268 . 0 0 "[ . 1 . 2]" 1
1159 1 73 PRO QB 1 76 LEU HG . . 4.640 3.971 3.807 4.222 . 0 0 "[ . 1 . 2]" 1
1160 1 73 PRO QB 1 76 LEU MD1 . . 4.940 3.773 3.641 3.957 . 0 0 "[ . 1 . 2]" 1
1161 1 73 PRO QG 1 75 HIS HD2 . . 5.040 3.581 3.317 3.758 . 0 0 "[ . 1 . 2]" 1
1162 1 73 PRO QG 1 76 LEU H . . 4.290 2.644 2.390 2.859 . 0 0 "[ . 1 . 2]" 1
1163 1 73 PRO QG 1 76 LEU HB2 . . 4.430 2.050 1.970 2.144 . 0 0 "[ . 1 . 2]" 1
1164 1 73 PRO QG 1 76 LEU HG . . 3.820 2.131 1.969 2.444 . 0 0 "[ . 1 . 2]" 1
1165 1 73 PRO QG 1 76 LEU MD1 . . 3.540 2.041 1.891 2.224 . 0 0 "[ . 1 . 2]" 1
1166 1 73 PRO QG 1 76 LEU MD2 . . 4.140 3.621 3.510 3.764 . 0 0 "[ . 1 . 2]" 1
1167 1 73 PRO QD 1 76 LEU HB2 . . 3.600 2.350 2.074 2.450 . 0 0 "[ . 1 . 2]" 1
1168 1 73 PRO QD 1 76 LEU HB3 . . 4.580 3.216 2.878 3.347 . 0 0 "[ . 1 . 2]" 1
1169 1 73 PRO QD 1 76 LEU HG . . 4.320 3.367 3.171 3.672 . 0 0 "[ . 1 . 2]" 1
1170 1 73 PRO QD 1 76 LEU MD1 . . 3.170 1.821 1.766 1.917 . 0 0 "[ . 1 . 2]" 1
1171 1 73 PRO QD 1 76 LEU MD2 . . 5.040 4.043 3.901 4.196 . 0 0 "[ . 1 . 2]" 1
1172 1 74 THR HA 1 77 LYS QB . . 3.590 2.270 2.090 2.482 . 0 0 "[ . 1 . 2]" 1
1173 1 74 THR HA 1 77 LYS QG . . 4.430 3.266 2.219 4.376 . 0 0 "[ . 1 . 2]" 1
1174 1 74 THR HA 1 77 LYS QE . . 4.100 2.768 1.980 4.064 . 0 0 "[ . 1 . 2]" 1
1175 1 74 THR MG 1 77 LYS QB . . 4.080 3.165 2.933 3.462 . 0 0 "[ . 1 . 2]" 1
1176 1 74 THR MG 1 77 LYS QE . . 3.730 3.119 2.104 3.709 . 0 0 "[ . 1 . 2]" 1
1177 1 76 LEU HA 1 79 GLN QB . . 3.980 3.416 2.624 3.888 . 0 0 "[ . 1 . 2]" 1
1178 1 76 LEU HA 1 79 GLN QG . . 4.440 3.630 2.504 4.454 0.014 13 0 "[ . 1 . 2]" 1
1179 1 76 LEU MD2 1 79 GLN QB . . 4.240 3.389 2.818 3.694 . 0 0 "[ . 1 . 2]" 1
1180 1 76 LEU MD2 1 79 GLN QG . . 4.290 3.369 2.244 4.056 . 0 0 "[ . 1 . 2]" 1
1181 1 77 LYS H 1 77 LYS QB . . 3.080 2.260 2.110 2.453 . 0 0 "[ . 1 . 2]" 1
1182 1 77 LYS H 1 77 LYS QG . . 3.680 2.915 2.223 3.747 0.067 15 0 "[ . 1 . 2]" 1
1183 1 77 LYS QB 1 77 LYS QD . . 3.410 2.177 2.030 2.361 . 0 0 "[ . 1 . 2]" 1
1184 1 77 LYS QB 1 77 LYS QE . . 4.450 2.438 1.879 3.484 . 0 0 "[ . 1 . 2]" 1
1185 1 77 LYS QB 1 78 THR HA . . 4.470 3.852 3.727 4.481 0.011 6 0 "[ . 1 . 2]" 1
1186 1 77 LYS QB 1 80 LEU MD1 . . 4.770 3.713 3.369 3.971 . 0 0 "[ . 1 . 2]" 1
1187 1 77 LYS QE 1 77 LYS QG . . 3.330 2.324 2.073 2.600 . 0 0 "[ . 1 . 2]" 1
1188 1 77 LYS QG 1 78 THR H . . 5.030 4.194 2.865 4.431 . 0 0 "[ . 1 . 2]" 1
1189 1 77 LYS QG 1 80 LEU MD1 . . 3.650 2.846 2.360 3.549 . 0 0 "[ . 1 . 2]" 1
1190 1 78 THR HA 1 81 GLU QG . . 4.170 2.949 1.989 3.834 . 0 0 "[ . 1 . 2]" 1
1191 1 79 GLN H 1 79 GLN QB . . 3.240 2.305 2.110 2.579 . 0 0 "[ . 1 . 2]" 1
1192 1 79 GLN H 1 79 GLN QG . . 3.760 2.839 1.938 3.777 0.017 3 0 "[ . 1 . 2]" 1
1193 1 79 GLN HA 1 82 ILE QG . . 4.820 3.196 2.522 3.705 . 0 0 "[ . 1 . 2]" 1
1194 1 79 GLN QB 1 80 LEU H . . 3.800 2.681 2.330 3.486 . 0 0 "[ . 1 . 2]" 1
1195 1 79 GLN QB 1 80 LEU HG . . 4.220 3.596 3.296 4.222 0.002 17 0 "[ . 1 . 2]" 1
1196 1 80 LEU H 1 81 GLU QG . . 5.340 4.525 3.773 5.013 . 0 0 "[ . 1 . 2]" 1
1197 1 80 LEU HB2 1 81 GLU QG . . 5.000 3.728 3.283 4.350 . 0 0 "[ . 1 . 2]" 1
1198 1 80 LEU HB3 1 81 GLU QG . . 5.340 4.619 4.020 5.351 0.011 15 0 "[ . 1 . 2]" 1
1199 1 81 GLU H 1 81 GLU QG . . 3.510 2.448 2.182 2.829 . 0 0 "[ . 1 . 2]" 1
1200 1 81 GLU H 1 82 ILE QG . . 5.100 4.254 3.968 4.504 . 0 0 "[ . 1 . 2]" 1
1201 1 81 GLU HA 1 81 GLU QG . . 3.500 2.738 2.174 3.337 . 0 0 "[ . 1 . 2]" 1
1202 1 81 GLU QG 1 82 ILE H . . 4.640 3.629 2.055 4.297 . 0 0 "[ . 1 . 2]" 1
1203 1 82 ILE H 1 82 ILE QG . . 3.150 2.055 1.890 2.373 . 0 0 "[ . 1 . 2]" 1
1204 1 82 ILE HA 1 82 ILE QG . . 3.520 2.393 2.259 2.454 . 0 0 "[ . 1 . 2]" 1
1205 1 82 ILE MG 1 83 ASN QB . . 4.890 4.143 2.837 4.699 . 0 0 "[ . 1 . 2]" 1
1206 1 85 GLY QA 1 86 PRO QD . . 2.900 1.969 1.840 2.199 . 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 28
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 4.293
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0012
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0021
_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 20 CYS 0.044 0.006 7 0 "[ . 1 . 2]"
1 28 CYS 0.120 0.009 4 0 "[ . 1 . 2]"
1 35 CYS 0.021 0.004 2 0 "[ . 1 . 2]"
1 39 HIS 0.016 0.005 2 0 "[ . 1 . 2]"
1 54 CYS 0.011 0.002 11 0 "[ . 1 . 2]"
1 62 CYS 0.018 0.004 15 0 "[ . 1 . 2]"
1 67 CYS 0.011 0.004 15 0 "[ . 1 . 2]"
1 71 HIS 0.010 0.002 15 0 "[ . 1 . 2]"
2 1 ZN 0.150 0.009 4 0 "[ . 1 . 2]"
3 1 ZN 0.029 0.003 12 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 20 CYS CB 2 1 ZN ZN . 3.250 3.510 3.294 3.248 3.422 0.002 13 0 "[ . 1 . 2]" 2
2 1 28 CYS CB 2 1 ZN ZN . 3.250 3.510 3.509 3.461 3.517 0.007 7 0 "[ . 1 . 2]" 2
3 1 35 CYS CB 2 1 ZN ZN . 3.250 3.510 3.469 3.390 3.513 0.003 15 0 "[ . 1 . 2]" 2
4 1 39 HIS CD2 2 1 ZN ZN . 3.250 3.510 3.491 3.421 3.514 0.004 2 0 "[ . 1 . 2]" 2
5 1 20 CYS SG 2 1 ZN ZN . 2.330 2.370 2.337 2.326 2.371 0.004 1 0 "[ . 1 . 2]" 2
6 1 28 CYS SG 2 1 ZN ZN . 2.330 2.370 2.329 2.321 2.336 0.009 4 0 "[ . 1 . 2]" 2
7 1 35 CYS SG 2 1 ZN ZN . 2.330 2.370 2.345 2.326 2.370 0.004 2 0 "[ . 1 . 2]" 2
8 1 39 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.340 2.325 2.370 0.005 2 0 "[ . 1 . 2]" 2
9 1 20 CYS SG 1 28 CYS SG . 3.200 4.000 3.997 3.976 4.006 0.006 7 0 "[ . 1 . 2]" 2
10 1 20 CYS SG 1 35 CYS SG . 3.200 4.000 3.933 3.771 4.000 . 0 0 "[ . 1 . 2]" 2
11 1 20 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.612 3.452 3.714 . 0 0 "[ . 1 . 2]" 2
12 1 28 CYS SG 1 35 CYS SG . 3.200 4.000 3.922 3.758 4.002 0.002 7 0 "[ . 1 . 2]" 2
13 1 28 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.804 3.657 3.970 . 0 0 "[ . 1 . 2]" 2
14 1 35 CYS SG 1 39 HIS NE2 . 3.200 4.000 3.482 3.288 3.667 . 0 0 "[ . 1 . 2]" 2
15 1 54 CYS CB 3 1 ZN ZN . 3.250 3.510 3.323 3.248 3.421 0.002 11 0 "[ . 1 . 2]" 2
16 1 62 CYS CB 3 1 ZN ZN . 3.250 3.510 3.460 3.386 3.512 0.002 17 0 "[ . 1 . 2]" 2
17 1 67 CYS CB 3 1 ZN ZN . 3.250 3.510 3.337 3.258 3.469 . 0 0 "[ . 1 . 2]" 2
18 1 71 HIS CD2 3 1 ZN ZN . 3.250 3.510 3.405 3.308 3.500 . 0 0 "[ . 1 . 2]" 2
19 1 54 CYS SG 3 1 ZN ZN . 2.330 2.370 2.341 2.328 2.357 0.002 9 0 "[ . 1 . 2]" 2
20 1 62 CYS SG 3 1 ZN ZN . 2.330 2.370 2.335 2.327 2.354 0.003 12 0 "[ . 1 . 2]" 2
21 1 67 CYS SG 3 1 ZN ZN . 2.330 2.370 2.344 2.328 2.370 0.002 13 0 "[ . 1 . 2]" 2
22 1 71 HIS NE2 3 1 ZN ZN . 2.330 2.370 2.340 2.328 2.369 0.002 17 0 "[ . 1 . 2]" 2
23 1 54 CYS SG 1 62 CYS SG . 3.200 4.000 3.972 3.902 4.001 0.001 6 0 "[ . 1 . 2]" 2
24 1 54 CYS SG 1 67 CYS SG . 3.200 4.000 3.414 3.223 3.631 . 0 0 "[ . 1 . 2]" 2
25 1 54 CYS SG 1 71 HIS NE2 . 3.200 4.000 3.860 3.606 4.002 0.002 15 0 "[ . 1 . 2]" 2
26 1 62 CYS SG 1 67 CYS SG . 3.200 4.000 3.946 3.818 4.004 0.004 15 0 "[ . 1 . 2]" 2
27 1 62 CYS SG 1 71 HIS NE2 . 3.200 4.000 3.878 3.705 3.986 . 0 0 "[ . 1 . 2]" 2
28 1 67 CYS SG 1 71 HIS NE2 . 3.200 4.000 3.740 3.242 3.989 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, July 7, 2024 3:44:45 PM GMT (wattos1)