NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461855 |
2e7h   |
11227 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e7h
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 1410
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 37.067
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0085
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 10 0 "[ . 1 . 2]"
1 8 PRO 0.002 0.001 8 0 "[ . 1 . 2]"
1 9 PRO 0.015 0.003 20 0 "[ . 1 . 2]"
1 10 ALA 0.011 0.003 20 0 "[ . 1 . 2]"
1 11 VAL 0.013 0.004 11 0 "[ . 1 . 2]"
1 12 SER 0.003 0.002 7 0 "[ . 1 . 2]"
1 13 ASP 0.096 0.037 6 0 "[ . 1 . 2]"
1 14 ILE 0.133 0.037 6 0 "[ . 1 . 2]"
1 15 ARG 0.002 0.002 11 0 "[ . 1 . 2]"
1 16 VAL 0.002 0.002 9 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ARG 0.017 0.017 11 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.001 0.001 11 0 "[ . 1 . 2]"
1 23 SER 0.001 0.001 9 0 "[ . 1 . 2]"
1 24 LEU 0.016 0.009 12 0 "[ . 1 . 2]"
1 25 SER 0.027 0.017 11 0 "[ . 1 . 2]"
1 26 LEU 0.014 0.007 18 0 "[ . 1 . 2]"
1 27 ALA 0.002 0.002 11 0 "[ . 1 . 2]"
1 28 TRP 0.821 0.067 15 0 "[ . 1 . 2]"
1 29 ALA 0.877 0.067 15 0 "[ . 1 . 2]"
1 30 VAL 0.114 0.018 18 0 "[ . 1 . 2]"
1 31 PRO 0.023 0.004 11 0 "[ . 1 . 2]"
1 32 ARG 0.016 0.016 11 0 "[ . 1 . 2]"
1 33 ALA 0.007 0.004 9 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ALA 0.001 0.001 8 0 "[ . 1 . 2]"
1 38 VAL 0.010 0.003 5 0 "[ . 1 . 2]"
1 39 LEU 0.001 0.001 5 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.012 0.004 20 0 "[ . 1 . 2]"
1 42 GLU 0.006 0.002 20 0 "[ . 1 . 2]"
1 43 VAL 0.005 0.005 12 0 "[ . 1 . 2]"
1 44 LYS 0.010 0.009 6 0 "[ . 1 . 2]"
1 45 TYR 0.022 0.013 12 0 "[ . 1 . 2]"
1 46 HIS 0.001 0.001 6 0 "[ . 1 . 2]"
1 47 GLU 0.003 0.003 12 0 "[ . 1 . 2]"
1 48 LYS 0.014 0.008 12 0 "[ . 1 . 2]"
1 49 GLY 0.006 0.006 12 0 "[ . 1 . 2]"
1 50 ALA 0.016 0.012 12 0 "[ . 1 . 2]"
1 51 GLU 0.024 0.013 13 0 "[ . 1 . 2]"
1 52 GLY 0.024 0.013 13 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 10 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.012 0.012 12 0 "[ . 1 . 2]"
1 56 VAL 0.001 0.001 8 0 "[ . 1 . 2]"
1 57 ARG 0.098 0.068 20 0 "[ . 1 . 2]"
1 58 PHE 0.016 0.009 6 0 "[ . 1 . 2]"
1 59 LEU 0.010 0.006 17 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.003 0.001 19 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.101 0.035 19 0 "[ . 1 . 2]"
1 64 ASN 0.010 0.004 18 0 "[ . 1 . 2]"
1 65 ARG 0.100 0.035 19 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 8 0 "[ . 1 . 2]"
1 67 GLU 0.055 0.021 20 0 "[ . 1 . 2]"
1 68 LEU 0.002 0.002 1 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.003 0.001 11 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.035 0.012 6 0 "[ . 1 . 2]"
1 74 GLY 0.020 0.012 6 0 "[ . 1 . 2]"
1 75 ALA 0.003 0.003 11 0 "[ . 1 . 2]"
1 76 SER 0.009 0.008 12 0 "[ . 1 . 2]"
1 77 TYR 0.018 0.004 9 0 "[ . 1 . 2]"
1 78 LEU 0.009 0.004 9 0 "[ . 1 . 2]"
1 79 VAL 0.063 0.051 20 0 "[ . 1 . 2]"
1 80 GLN 0.011 0.005 12 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.005 0.002 9 0 "[ . 1 . 2]"
1 83 ALA 0.009 0.004 3 0 "[ . 1 . 2]"
1 84 ARG 0.025 0.024 3 0 "[ . 1 . 2]"
1 85 SER 0.025 0.024 3 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 11 0 "[ . 1 . 2]"
1 87 ALA 0.000 0.000 10 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 TYR 0.006 0.002 9 0 "[ . 1 . 2]"
1 90 GLY 0.009 0.004 3 0 "[ . 1 . 2]"
1 91 PRO 0.002 0.002 20 0 "[ . 1 . 2]"
1 92 PHE 0.004 0.002 20 0 "[ . 1 . 2]"
1 93 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLN 0.004 0.002 7 0 "[ . 1 . 2]"
1 95 GLU 0.187 0.072 19 0 "[ . 1 . 2]"
1 96 HIS 0.053 0.051 20 0 "[ . 1 . 2]"
1 97 HIS 0.006 0.003 20 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 THR 0.002 0.001 4 0 "[ . 1 . 2]"
1 101 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.039 0.024 8 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 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 59 LEU HA 1 60 LYS H . . 2.770 2.144 2.138 2.179 . 0 0 "[ . 1 . 2]" 1
2 1 60 LYS H 1 60 LYS QB . . 3.110 2.308 2.217 2.425 . 0 0 "[ . 1 . 2]" 1
3 1 59 LEU HG 1 60 LYS H . . 3.410 3.228 2.710 3.406 . 0 0 "[ . 1 . 2]" 1
4 1 60 LYS H 1 60 LYS HG2 . . 4.410 4.272 4.127 4.409 . 0 0 "[ . 1 . 2]" 1
5 1 24 LEU H 1 68 LEU H . . 3.570 3.092 2.663 3.412 . 0 0 "[ . 1 . 2]" 1
6 1 68 LEU H 1 69 ARG H . . 4.700 4.440 4.114 4.623 . 0 0 "[ . 1 . 2]" 1
7 1 25 SER HA 1 68 LEU H . . 4.020 3.157 2.555 3.736 . 0 0 "[ . 1 . 2]" 1
8 1 67 GLU HA 1 68 LEU H . . 2.710 2.162 2.140 2.206 . 0 0 "[ . 1 . 2]" 1
9 1 67 GLU HG3 1 68 LEU H . . 4.620 3.339 2.853 3.914 . 0 0 "[ . 1 . 2]" 1
10 1 67 GLU HB3 1 68 LEU H . . 4.480 4.289 3.961 4.468 . 0 0 "[ . 1 . 2]" 1
11 1 67 GLU HB2 1 68 LEU H . . 4.480 4.358 4.062 4.482 0.002 1 0 "[ . 1 . 2]" 1
12 1 68 LEU H 1 68 LEU HB2 . . 3.300 2.586 2.460 2.830 . 0 0 "[ . 1 . 2]" 1
13 1 24 LEU HB2 1 68 LEU H . . 4.440 4.086 3.546 4.437 . 0 0 "[ . 1 . 2]" 1
14 1 68 LEU H 1 68 LEU HG . . 3.300 2.350 1.972 2.609 . 0 0 "[ . 1 . 2]" 1
15 1 68 LEU H 1 68 LEU HB3 . . 3.790 3.651 3.589 3.765 . 0 0 "[ . 1 . 2]" 1
16 1 68 LEU H 1 68 LEU MD2 . . 3.920 3.451 3.249 3.862 . 0 0 "[ . 1 . 2]" 1
17 1 68 LEU H 1 68 LEU MD1 . . 3.880 3.640 3.271 3.875 . 0 0 "[ . 1 . 2]" 1
18 1 72 LYS HB3 1 73 ARG H . . 5.000 3.533 2.136 4.347 . 0 0 "[ . 1 . 2]" 1
19 1 47 GLU H 1 77 TYR QD . . 4.900 3.982 3.363 4.792 . 0 0 "[ . 1 . 2]" 1
20 1 47 GLU H 1 77 TYR QE . . 5.090 3.496 2.440 4.433 . 0 0 "[ . 1 . 2]" 1
21 1 46 HIS HB3 1 47 GLU H . . 4.450 4.261 4.070 4.425 . 0 0 "[ . 1 . 2]" 1
22 1 46 HIS HB2 1 47 GLU H . . 4.060 3.157 2.779 3.590 . 0 0 "[ . 1 . 2]" 1
23 1 47 GLU H 1 47 GLU HB2 . . 3.740 2.251 2.176 2.529 . 0 0 "[ . 1 . 2]" 1
24 1 47 GLU H 1 47 GLU HB3 . . 3.740 2.867 2.518 3.025 . 0 0 "[ . 1 . 2]" 1
25 1 82 ARG HA 1 83 ALA H . . 3.170 2.372 2.260 2.522 . 0 0 "[ . 1 . 2]" 1
26 1 82 ARG HB2 1 83 ALA H . . 3.880 2.567 2.252 2.821 . 0 0 "[ . 1 . 2]" 1
27 1 83 ALA H 1 83 ALA MB . . 3.350 2.439 2.317 2.542 . 0 0 "[ . 1 . 2]" 1
28 1 82 ARG HB3 1 83 ALA H . . 4.170 3.901 3.706 4.054 . 0 0 "[ . 1 . 2]" 1
29 1 58 PHE H 1 59 LEU H . . 4.530 4.353 4.178 4.464 . 0 0 "[ . 1 . 2]" 1
30 1 58 PHE QD 1 59 LEU H . . 4.420 3.888 3.510 4.230 . 0 0 "[ . 1 . 2]" 1
31 1 45 TYR QE 1 59 LEU H . . 4.670 4.161 3.659 4.585 . 0 0 "[ . 1 . 2]" 1
32 1 58 PHE HA 1 59 LEU H . . 2.800 2.213 2.143 2.335 . 0 0 "[ . 1 . 2]" 1
33 1 42 GLU HA 1 59 LEU H . . 4.600 4.417 3.906 4.589 . 0 0 "[ . 1 . 2]" 1
34 1 44 LYS HA 1 59 LEU H . . 4.230 3.886 3.628 4.152 . 0 0 "[ . 1 . 2]" 1
35 1 58 PHE HB3 1 59 LEU H . . 3.620 3.061 2.649 3.481 . 0 0 "[ . 1 . 2]" 1
36 1 58 PHE HB2 1 59 LEU H . . 4.470 4.196 3.943 4.443 . 0 0 "[ . 1 . 2]" 1
37 1 42 GLU QG 1 59 LEU H . . 4.150 3.589 2.929 4.121 . 0 0 "[ . 1 . 2]" 1
38 1 59 LEU H 1 59 LEU QB . . 3.170 2.543 2.404 2.694 . 0 0 "[ . 1 . 2]" 1
39 1 59 LEU H 1 59 LEU MD1 . . 4.650 4.578 4.496 4.652 0.002 20 0 "[ . 1 . 2]" 1
40 1 59 LEU H 1 59 LEU HG . . 4.320 4.292 4.231 4.326 0.006 17 0 "[ . 1 . 2]" 1
41 1 43 VAL MG1 1 59 LEU H . . 4.860 4.204 3.857 4.582 . 0 0 "[ . 1 . 2]" 1
42 1 43 VAL MG2 1 59 LEU H . . 5.420 4.603 4.153 4.989 . 0 0 "[ . 1 . 2]" 1
43 1 28 TRP HE1 1 41 TYR QE . . 3.430 2.997 2.770 3.403 . 0 0 "[ . 1 . 2]" 1
44 1 28 TRP HE1 1 64 ASN HA . . 3.300 2.303 2.018 2.659 . 0 0 "[ . 1 . 2]" 1
45 1 28 TRP HE1 1 64 ASN HB2 . . 4.220 3.255 2.630 3.925 . 0 0 "[ . 1 . 2]" 1
46 1 28 TRP HE1 1 64 ASN HB3 . . 4.220 3.743 2.940 4.221 0.001 14 0 "[ . 1 . 2]" 1
47 1 11 VAL MG1 1 28 TRP HE1 . . 4.380 4.002 3.544 4.381 0.001 2 0 "[ . 1 . 2]" 1
48 1 26 LEU H 1 66 ALA H . . 3.500 3.038 2.818 3.495 . 0 0 "[ . 1 . 2]" 1
49 1 25 SER HA 1 26 LEU H . . 2.900 2.232 2.138 2.488 . 0 0 "[ . 1 . 2]" 1
50 1 26 LEU H 1 26 LEU HB2 . . 3.400 2.693 2.478 3.009 . 0 0 "[ . 1 . 2]" 1
51 1 26 LEU H 1 26 LEU HG . . 3.450 2.827 2.470 3.211 . 0 0 "[ . 1 . 2]" 1
52 1 26 LEU H 1 26 LEU MD1 . . 4.390 3.699 3.325 4.243 . 0 0 "[ . 1 . 2]" 1
53 1 50 ALA H 1 50 ALA MB . . 3.140 2.362 2.037 2.848 . 0 0 "[ . 1 . 2]" 1
54 1 30 VAL H 1 64 ASN HD22 . . 4.790 3.671 2.109 4.371 . 0 0 "[ . 1 . 2]" 1
55 1 30 VAL H 1 64 ASN HD21 . . 4.790 2.705 1.847 3.320 . 0 0 "[ . 1 . 2]" 1
56 1 29 ALA HA 1 30 VAL H . . 2.670 2.147 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
57 1 30 VAL H 1 30 VAL HB . . 3.060 2.674 2.391 2.831 . 0 0 "[ . 1 . 2]" 1
58 1 30 VAL H 1 30 VAL MG1 . . 3.940 3.634 2.334 3.787 . 0 0 "[ . 1 . 2]" 1
59 1 15 ARG H 1 27 ALA H . . 4.380 4.145 3.695 4.378 . 0 0 "[ . 1 . 2]" 1
60 1 41 TYR HA 1 42 GLU H . . 3.100 2.450 2.361 2.498 . 0 0 "[ . 1 . 2]" 1
61 1 41 TYR HB2 1 42 GLU H . . 4.060 3.425 3.221 3.676 . 0 0 "[ . 1 . 2]" 1
62 1 41 TYR HB3 1 42 GLU H . . 4.060 2.370 2.262 2.573 . 0 0 "[ . 1 . 2]" 1
63 1 42 GLU H 1 42 GLU QG . . 4.670 4.227 4.138 4.324 . 0 0 "[ . 1 . 2]" 1
64 1 42 GLU H 1 42 GLU HB2 . . 4.000 2.945 2.823 3.099 . 0 0 "[ . 1 . 2]" 1
65 1 42 GLU H 1 82 ARG H . . 3.800 2.853 2.495 3.228 . 0 0 "[ . 1 . 2]" 1
66 1 42 GLU H 1 83 ALA HA . . 4.100 3.967 3.726 4.100 0.000 7 0 "[ . 1 . 2]" 1
67 1 42 GLU H 1 42 GLU HB3 . . 4.000 2.945 2.667 3.060 . 0 0 "[ . 1 . 2]" 1
68 1 37 ALA H 1 37 ALA MB . . 3.110 2.548 2.166 2.843 . 0 0 "[ . 1 . 2]" 1
69 1 94 GLN QB 1 95 GLU H . . 3.850 3.646 3.097 3.851 0.001 9 0 "[ . 1 . 2]" 1
70 1 94 GLN HA 1 95 GLU H . . 3.170 2.151 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
71 1 95 GLU H 1 95 GLU HG2 . . 4.170 2.626 1.906 3.998 . 0 0 "[ . 1 . 2]" 1
72 1 95 GLU H 1 95 GLU HB2 . . 3.820 3.363 2.272 3.626 . 0 0 "[ . 1 . 2]" 1
73 1 95 GLU H 1 95 GLU HB3 . . 3.820 2.715 2.316 3.594 . 0 0 "[ . 1 . 2]" 1
74 1 12 SER H 1 13 ASP H . . 4.630 4.438 4.392 4.466 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL HA 1 12 SER H . . 3.170 2.162 2.140 2.259 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER H 1 12 SER QB . . 3.770 2.903 2.693 3.199 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL MG2 1 12 SER H . . 4.490 4.078 3.809 4.264 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL MG1 1 12 SER H . . 4.490 2.561 2.115 2.944 . 0 0 "[ . 1 . 2]" 1
79 1 46 HIS H 1 78 LEU H . . 3.680 3.490 3.273 3.674 . 0 0 "[ . 1 . 2]" 1
80 1 77 TYR QD 1 78 LEU H . . 4.380 3.774 3.466 4.384 0.004 9 0 "[ . 1 . 2]" 1
81 1 47 GLU HA 1 78 LEU H . . 4.150 3.889 3.468 4.138 . 0 0 "[ . 1 . 2]" 1
82 1 77 TYR QB 1 78 LEU H . . 3.610 3.477 3.331 3.563 . 0 0 "[ . 1 . 2]" 1
83 1 78 LEU H 1 78 LEU HG . . 4.190 3.222 2.273 4.166 . 0 0 "[ . 1 . 2]" 1
84 1 78 LEU H 1 78 LEU HB3 . . 3.920 3.603 3.488 3.679 . 0 0 "[ . 1 . 2]" 1
85 1 78 LEU H 1 78 LEU HB2 . . 3.470 2.393 2.182 2.570 . 0 0 "[ . 1 . 2]" 1
86 1 84 ARG HG3 1 85 SER H . . 4.560 3.385 2.462 4.483 . 0 0 "[ . 1 . 2]" 1
87 1 75 ALA H 1 77 TYR QD . . 5.040 4.431 3.434 5.043 0.003 11 0 "[ . 1 . 2]" 1
88 1 75 ALA H 1 77 TYR QE . . 5.350 4.212 3.793 4.951 . 0 0 "[ . 1 . 2]" 1
89 1 75 ALA H 1 75 ALA MB . . 2.940 2.362 2.030 2.807 . 0 0 "[ . 1 . 2]" 1
90 1 72 LYS HB3 1 75 ALA H . . 4.880 3.812 2.882 4.644 . 0 0 "[ . 1 . 2]" 1
91 1 44 LYS HB3 1 80 GLN H . . 4.250 3.741 3.102 4.230 . 0 0 "[ . 1 . 2]" 1
92 1 45 TYR HA 1 80 GLN H . . 4.360 3.551 3.105 3.834 . 0 0 "[ . 1 . 2]" 1
93 1 79 VAL HA 1 80 GLN H . . 2.880 2.193 2.144 2.258 . 0 0 "[ . 1 . 2]" 1
94 1 43 VAL MG1 1 80 GLN H . . 3.970 3.643 3.040 3.975 0.005 12 0 "[ . 1 . 2]" 1
95 1 79 VAL MG1 1 80 GLN H . . 4.290 2.526 1.961 3.894 . 0 0 "[ . 1 . 2]" 1
96 1 82 ARG H 1 92 PHE QE . . 4.390 3.301 2.691 4.058 . 0 0 "[ . 1 . 2]" 1
97 1 81 VAL HA 1 82 ARG H . . 3.060 2.182 2.142 2.263 . 0 0 "[ . 1 . 2]" 1
98 1 82 ARG H 1 82 ARG HG2 . . 4.380 2.583 2.416 2.764 . 0 0 "[ . 1 . 2]" 1
99 1 82 ARG H 1 82 ARG HG3 . . 4.380 3.033 2.731 3.456 . 0 0 "[ . 1 . 2]" 1
100 1 81 VAL MG1 1 82 ARG H . . 4.550 2.258 1.943 2.702 . 0 0 "[ . 1 . 2]" 1
101 1 85 SER H 1 89 TYR HA . . 4.380 3.661 3.361 3.973 . 0 0 "[ . 1 . 2]" 1
102 1 101 GLN HA 1 102 LEU H . . 3.040 2.540 2.143 3.005 . 0 0 "[ . 1 . 2]" 1
103 1 102 LEU H 1 102 LEU QB . . 3.220 2.664 2.155 3.226 0.006 5 0 "[ . 1 . 2]" 1
104 1 102 LEU H 1 102 LEU HG . . 3.620 3.147 2.285 3.644 0.024 8 0 "[ . 1 . 2]" 1
105 1 55 SER QB 1 56 VAL H . . 4.060 2.892 2.475 3.982 . 0 0 "[ . 1 . 2]" 1
106 1 56 VAL H 1 56 VAL HB . . 2.910 2.740 2.529 2.900 . 0 0 "[ . 1 . 2]" 1
107 1 56 VAL H 1 56 VAL MG2 . . 3.990 3.480 2.339 3.802 . 0 0 "[ . 1 . 2]" 1
108 1 56 VAL H 1 56 VAL MG1 . . 3.990 2.439 1.876 3.923 . 0 0 "[ . 1 . 2]" 1
109 1 44 LYS HG2 1 45 TYR H . . 3.990 3.490 3.087 3.832 . 0 0 "[ . 1 . 2]" 1
110 1 84 ARG H 1 84 ARG HB2 . . 4.060 3.296 2.834 3.926 . 0 0 "[ . 1 . 2]" 1
111 1 41 TYR HA 1 84 ARG H . . 3.770 3.457 3.092 3.771 0.001 4 0 "[ . 1 . 2]" 1
112 1 83 ALA HA 1 84 ARG H . . 3.020 2.301 2.206 2.416 . 0 0 "[ . 1 . 2]" 1
113 1 83 ALA MB 1 84 ARG H . . 3.430 2.663 2.404 2.893 . 0 0 "[ . 1 . 2]" 1
114 1 84 ARG H 1 84 ARG HB3 . . 4.060 2.733 2.517 3.096 . 0 0 "[ . 1 . 2]" 1
115 1 38 VAL MG1 1 84 ARG H . . 3.810 2.483 1.988 2.966 . 0 0 "[ . 1 . 2]" 1
116 1 45 TYR H 1 45 TYR QD . . 3.330 2.193 1.903 2.519 . 0 0 "[ . 1 . 2]" 1
117 1 44 LYS HA 1 45 TYR H . . 2.750 2.149 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
118 1 44 LYS HB2 1 45 TYR H . . 4.660 4.382 3.987 4.536 . 0 0 "[ . 1 . 2]" 1
119 1 44 LYS HG3 1 45 TYR H . . 3.990 3.601 2.527 3.961 . 0 0 "[ . 1 . 2]" 1
120 1 76 SER HA 1 77 TYR H . . 3.370 2.172 2.138 2.242 . 0 0 "[ . 1 . 2]" 1
121 1 77 TYR H 1 77 TYR QB . . 3.780 2.486 2.299 2.677 . 0 0 "[ . 1 . 2]" 1
122 1 77 TYR H 1 77 TYR QD . . 4.430 3.580 3.108 3.934 . 0 0 "[ . 1 . 2]" 1
123 1 85 SER HB2 1 86 GLU H . . 4.160 3.229 2.008 3.997 . 0 0 "[ . 1 . 2]" 1
124 1 86 GLU H 1 86 GLU QB . . 3.410 2.397 2.192 2.593 . 0 0 "[ . 1 . 2]" 1
125 1 78 LEU HA 1 79 VAL H . . 3.090 2.182 2.149 2.202 . 0 0 "[ . 1 . 2]" 1
126 1 79 VAL H 1 79 VAL HB . . 3.620 2.633 2.500 3.224 . 0 0 "[ . 1 . 2]" 1
127 1 31 PRO HA 1 32 ARG H . . 2.900 2.425 2.194 2.646 . 0 0 "[ . 1 . 2]" 1
128 1 31 PRO HB3 1 32 ARG H . . 3.930 3.445 3.203 3.828 . 0 0 "[ . 1 . 2]" 1
129 1 9 PRO HG3 1 32 ARG H . . 4.520 3.400 2.905 4.226 . 0 0 "[ . 1 . 2]" 1
130 1 31 PRO HB2 1 32 ARG H . . 3.350 2.578 2.057 3.269 . 0 0 "[ . 1 . 2]" 1
131 1 32 ARG H 1 32 ARG HB3 . . 3.890 3.265 2.374 3.779 . 0 0 "[ . 1 . 2]" 1
132 1 32 ARG H 1 32 ARG HG3 . . 4.700 3.214 2.322 4.326 . 0 0 "[ . 1 . 2]" 1
133 1 66 ALA H 1 67 GLU H . . 4.460 4.403 4.226 4.456 . 0 0 "[ . 1 . 2]" 1
134 1 66 ALA HA 1 67 GLU H . . 2.680 2.390 2.171 2.537 . 0 0 "[ . 1 . 2]" 1
135 1 67 GLU H 1 67 GLU HG3 . . 4.730 4.652 4.306 4.732 0.002 20 0 "[ . 1 . 2]" 1
136 1 67 GLU H 1 67 GLU HB3 . . 3.510 2.712 2.523 2.859 . 0 0 "[ . 1 . 2]" 1
137 1 67 GLU H 1 67 GLU HB2 . . 3.510 3.122 2.879 3.263 . 0 0 "[ . 1 . 2]" 1
138 1 66 ALA MB 1 67 GLU H . . 3.090 2.472 2.195 3.007 . 0 0 "[ . 1 . 2]" 1
139 1 59 LEU MD2 1 67 GLU H . . 4.220 3.378 2.957 3.948 . 0 0 "[ . 1 . 2]" 1
140 1 28 TRP HA 1 29 ALA H . . 3.020 2.464 2.463 2.466 . 0 0 "[ . 1 . 2]" 1
141 1 28 TRP HB2 1 29 ALA H . . 3.900 2.357 2.333 2.364 . 0 0 "[ . 1 . 2]" 1
142 1 28 TRP HB3 1 29 ALA H . . 3.900 3.373 3.356 3.427 . 0 0 "[ . 1 . 2]" 1
143 1 13 ASP HB3 1 29 ALA H . . 4.710 3.975 2.899 4.687 . 0 0 "[ . 1 . 2]" 1
144 1 29 ALA H 1 29 ALA MB . . 2.940 2.260 2.135 2.337 . 0 0 "[ . 1 . 2]" 1
145 1 17 THR H 1 26 LEU HA . . 4.230 3.666 2.712 4.038 . 0 0 "[ . 1 . 2]" 1
146 1 16 VAL HA 1 17 THR H . . 2.940 2.165 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
147 1 17 THR H 1 17 THR HB . . 3.900 2.998 2.491 3.780 . 0 0 "[ . 1 . 2]" 1
148 1 17 THR H 1 17 THR MG . . 3.570 2.174 1.942 2.329 . 0 0 "[ . 1 . 2]" 1
149 1 16 VAL MG1 1 17 THR H . . 4.870 3.274 2.491 4.284 . 0 0 "[ . 1 . 2]" 1
150 1 17 THR H 1 26 LEU MD2 . . 5.130 4.808 3.974 5.041 . 0 0 "[ . 1 . 2]" 1
151 1 68 LEU HA 1 69 ARG H . . 2.650 2.185 2.140 2.287 . 0 0 "[ . 1 . 2]" 1
152 1 69 ARG H 1 69 ARG HB2 . . 4.010 2.542 2.294 2.793 . 0 0 "[ . 1 . 2]" 1
153 1 69 ARG H 1 69 ARG HB3 . . 4.010 3.701 3.519 3.864 . 0 0 "[ . 1 . 2]" 1
154 1 69 ARG H 1 69 ARG QG . . 3.340 2.984 2.445 3.319 . 0 0 "[ . 1 . 2]" 1
155 1 68 LEU HB3 1 69 ARG H . . 3.950 3.298 2.719 3.924 . 0 0 "[ . 1 . 2]" 1
156 1 68 LEU MD2 1 69 ARG H . . 4.030 3.731 3.389 4.006 . 0 0 "[ . 1 . 2]" 1
157 1 11 VAL H 1 11 VAL HB . . 3.780 2.717 2.574 2.897 . 0 0 "[ . 1 . 2]" 1
158 1 63 GLU H 1 63 GLU QG . . 3.490 2.795 1.899 3.462 . 0 0 "[ . 1 . 2]" 1
159 1 63 GLU H 1 63 GLU HB2 . . 4.080 3.032 2.180 4.033 . 0 0 "[ . 1 . 2]" 1
160 1 63 GLU H 1 63 GLU HB3 . . 4.080 3.490 2.668 3.939 . 0 0 "[ . 1 . 2]" 1
161 1 61 THR MG 1 63 GLU H . . 3.770 3.016 2.010 3.722 . 0 0 "[ . 1 . 2]" 1
162 1 62 SER H 1 63 GLU H . . 3.940 2.759 2.431 3.235 . 0 0 "[ . 1 . 2]" 1
163 1 72 LYS H 1 77 TYR QE . . 3.740 2.431 1.931 3.199 . 0 0 "[ . 1 . 2]" 1
164 1 71 LEU HA 1 72 LYS H . . 3.070 2.526 2.266 2.631 . 0 0 "[ . 1 . 2]" 1
165 1 72 LYS H 1 72 LYS HB3 . . 3.820 3.630 3.498 3.751 . 0 0 "[ . 1 . 2]" 1
166 1 72 LYS H 1 72 LYS HB2 . . 3.820 2.428 2.219 2.601 . 0 0 "[ . 1 . 2]" 1
167 1 71 LEU HB3 1 72 LYS H . . 3.260 2.201 1.986 2.804 . 0 0 "[ . 1 . 2]" 1
168 1 72 LYS H 1 75 ALA MB . . 4.280 4.067 3.381 4.275 . 0 0 "[ . 1 . 2]" 1
169 1 71 LEU HB2 1 72 LYS H . . 3.750 3.292 3.049 3.709 . 0 0 "[ . 1 . 2]" 1
170 1 50 ALA HA 1 51 GLU H . . 3.250 2.306 2.143 2.646 . 0 0 "[ . 1 . 2]" 1
171 1 50 ALA MB 1 51 GLU H . . 3.890 2.765 1.912 3.515 . 0 0 "[ . 1 . 2]" 1
172 1 102 LEU H 1 103 ASP H . . 4.170 3.248 1.883 4.131 . 0 0 "[ . 1 . 2]" 1
173 1 14 ILE H 1 14 ILE HB . . 3.590 2.524 2.428 2.697 . 0 0 "[ . 1 . 2]" 1
174 1 9 PRO HA 1 10 ALA H . . 2.830 2.204 2.188 2.276 . 0 0 "[ . 1 . 2]" 1
175 1 9 PRO HB2 1 10 ALA H . . 3.840 3.226 2.961 3.294 . 0 0 "[ . 1 . 2]" 1
176 1 9 PRO HB3 1 10 ALA H . . 3.840 3.802 3.643 3.843 0.003 20 0 "[ . 1 . 2]" 1
177 1 10 ALA H 1 10 ALA MB . . 2.850 2.098 2.024 2.226 . 0 0 "[ . 1 . 2]" 1
178 1 38 VAL H 1 38 VAL MG1 . . 4.220 3.771 3.751 3.822 . 0 0 "[ . 1 . 2]" 1
179 1 38 VAL H 1 38 VAL HB . . 3.080 2.586 2.477 2.774 . 0 0 "[ . 1 . 2]" 1
180 1 38 VAL H 1 38 VAL MG2 . . 3.280 2.174 1.911 2.618 . 0 0 "[ . 1 . 2]" 1
181 1 93 GLY HA2 1 94 GLN H . . 3.420 2.598 2.368 3.099 . 0 0 "[ . 1 . 2]" 1
182 1 93 GLY HA3 1 94 GLN H . . 3.420 2.545 2.169 2.779 . 0 0 "[ . 1 . 2]" 1
183 1 94 GLN H 1 94 GLN QG . . 4.160 3.600 2.531 4.045 . 0 0 "[ . 1 . 2]" 1
184 1 94 GLN H 1 94 GLN QB . . 3.120 2.232 2.135 2.303 . 0 0 "[ . 1 . 2]" 1
185 1 10 ALA MB 1 94 GLN H . . 4.300 3.725 2.997 4.243 . 0 0 "[ . 1 . 2]" 1
186 1 23 SER HA 1 24 LEU H . . 3.000 2.349 2.165 2.454 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU H 1 68 LEU HB2 . . 3.680 2.722 2.041 3.133 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU H 1 24 LEU HB2 . . 3.670 2.780 2.591 2.952 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU H 1 24 LEU HG . . 4.230 3.371 2.986 4.128 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU H 1 24 LEU HB3 . . 3.960 3.837 3.703 3.934 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU H 1 68 LEU HB3 . . 4.840 4.198 3.603 4.518 . 0 0 "[ . 1 . 2]" 1
192 1 23 SER HB3 1 24 LEU H . . 4.020 3.480 2.441 4.021 0.001 9 0 "[ . 1 . 2]" 1
193 1 86 GLU H 1 87 ALA H . . 4.630 2.928 2.682 3.139 . 0 0 "[ . 1 . 2]" 1
194 1 86 GLU QB 1 87 ALA H . . 4.380 2.671 2.348 3.466 . 0 0 "[ . 1 . 2]" 1
195 1 87 ALA H 1 87 ALA MB . . 3.520 2.159 2.024 2.249 . 0 0 "[ . 1 . 2]" 1
196 1 92 PHE H 1 92 PHE QD . . 4.090 2.939 2.441 3.165 . 0 0 "[ . 1 . 2]" 1
197 1 92 PHE H 1 92 PHE HB2 . . 3.910 2.253 2.183 2.365 . 0 0 "[ . 1 . 2]" 1
198 1 92 PHE H 1 92 PHE HB3 . . 3.910 3.535 3.492 3.602 . 0 0 "[ . 1 . 2]" 1
199 1 91 PRO HB2 1 92 PHE H . . 4.260 3.137 2.684 3.571 . 0 0 "[ . 1 . 2]" 1
200 1 91 PRO HB3 1 92 PHE H . . 4.260 3.752 3.490 4.026 . 0 0 "[ . 1 . 2]" 1
201 1 70 GLY H 1 71 LEU H . . 3.580 3.075 2.608 3.439 . 0 0 "[ . 1 . 2]" 1
202 1 22 SER HA 1 71 LEU H . . 4.050 3.057 2.031 3.984 . 0 0 "[ . 1 . 2]" 1
203 1 71 LEU H 1 71 LEU HB3 . . 3.990 3.878 3.811 3.944 . 0 0 "[ . 1 . 2]" 1
204 1 71 LEU H 1 71 LEU HB2 . . 3.080 2.829 2.702 2.959 . 0 0 "[ . 1 . 2]" 1
205 1 71 LEU H 1 71 LEU HG . . 3.460 3.107 2.925 3.304 . 0 0 "[ . 1 . 2]" 1
206 1 71 LEU H 1 71 LEU MD2 . . 4.240 4.109 4.005 4.229 . 0 0 "[ . 1 . 2]" 1
207 1 85 SER HG 1 87 ALA H . . 4.000 2.867 1.938 3.871 . 0 0 "[ . 1 . 2]" 1
208 1 41 TYR QE 1 64 ASN H . . 4.490 4.103 3.217 4.473 . 0 0 "[ . 1 . 2]" 1
209 1 63 GLU HA 1 64 ASN H . . 3.120 2.475 2.362 2.634 . 0 0 "[ . 1 . 2]" 1
210 1 63 GLU QG 1 64 ASN H . . 4.340 3.635 3.080 4.223 . 0 0 "[ . 1 . 2]" 1
211 1 63 GLU HB2 1 64 ASN H . . 4.120 3.108 2.230 3.921 . 0 0 "[ . 1 . 2]" 1
212 1 28 TRP HZ3 1 66 ALA H . . 4.070 3.089 2.743 3.410 . 0 0 "[ . 1 . 2]" 1
213 1 27 ALA HA 1 66 ALA H . . 4.270 3.834 3.392 4.166 . 0 0 "[ . 1 . 2]" 1
214 1 65 ARG HA 1 66 ALA H . . 2.830 2.203 2.150 2.327 . 0 0 "[ . 1 . 2]" 1
215 1 26 LEU HB2 1 66 ALA H . . 3.690 3.042 2.726 3.362 . 0 0 "[ . 1 . 2]" 1
216 1 65 ARG HB2 1 66 ALA H . . 3.350 3.045 2.618 3.315 . 0 0 "[ . 1 . 2]" 1
217 1 66 ALA H 1 66 ALA MB . . 3.400 2.589 2.453 2.725 . 0 0 "[ . 1 . 2]" 1
218 1 27 ALA MB 1 66 ALA H . . 4.730 4.160 3.820 4.572 . 0 0 "[ . 1 . 2]" 1
219 1 89 TYR H 1 89 TYR HB3 . . 3.850 3.512 3.477 3.580 . 0 0 "[ . 1 . 2]" 1
220 1 89 TYR H 1 89 TYR QD . . 3.750 2.889 2.048 3.345 . 0 0 "[ . 1 . 2]" 1
221 1 88 GLY HA2 1 89 TYR H . . 3.370 2.677 2.371 3.035 . 0 0 "[ . 1 . 2]" 1
222 1 88 GLY HA3 1 89 TYR H . . 3.370 2.470 2.197 2.775 . 0 0 "[ . 1 . 2]" 1
223 1 89 TYR H 1 89 TYR HB2 . . 3.300 2.229 2.181 2.368 . 0 0 "[ . 1 . 2]" 1
224 1 41 TYR H 1 61 THR H . . 3.600 3.288 2.987 3.597 . 0 0 "[ . 1 . 2]" 1
225 1 60 LYS HA 1 61 THR H . . 2.800 2.157 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
226 1 42 GLU HA 1 61 THR H . . 4.120 3.649 3.431 3.989 . 0 0 "[ . 1 . 2]" 1
227 1 60 LYS QB 1 61 THR H . . 3.690 3.239 2.986 3.445 . 0 0 "[ . 1 . 2]" 1
228 1 60 LYS HG3 1 61 THR H . . 4.700 4.594 3.684 4.693 . 0 0 "[ . 1 . 2]" 1
229 1 61 THR H 1 61 THR MG . . 3.170 2.126 1.889 2.444 . 0 0 "[ . 1 . 2]" 1
230 1 55 SER H 1 56 VAL H . . 3.520 2.578 1.840 3.419 . 0 0 "[ . 1 . 2]" 1
231 1 55 SER H 1 55 SER QB . . 3.780 2.398 2.184 2.601 . 0 0 "[ . 1 . 2]" 1
232 1 20 SER H 1 23 SER H . . 4.710 4.339 3.648 4.660 . 0 0 "[ . 1 . 2]" 1
233 1 23 SER H 1 71 LEU H . . 5.490 4.963 4.188 5.473 . 0 0 "[ . 1 . 2]" 1
234 1 20 SER HB2 1 23 SER H . . 4.350 3.122 2.319 4.285 . 0 0 "[ . 1 . 2]" 1
235 1 58 PHE H 1 58 PHE QD . . 3.380 3.162 2.802 3.378 . 0 0 "[ . 1 . 2]" 1
236 1 57 ARG HA 1 58 PHE H . . 2.730 2.444 2.294 2.647 . 0 0 "[ . 1 . 2]" 1
237 1 58 PHE H 1 58 PHE HB3 . . 3.830 3.714 3.638 3.809 . 0 0 "[ . 1 . 2]" 1
238 1 58 PHE H 1 58 PHE HB2 . . 3.110 2.618 2.492 2.786 . 0 0 "[ . 1 . 2]" 1
239 1 57 ARG HB3 1 58 PHE H . . 3.060 2.367 1.926 2.741 . 0 0 "[ . 1 . 2]" 1
240 1 57 ARG HB2 1 58 PHE H . . 4.030 3.724 3.315 4.006 . 0 0 "[ . 1 . 2]" 1
241 1 100 THR H 1 100 THR MG . . 4.330 2.390 1.933 3.105 . 0 0 "[ . 1 . 2]" 1
242 1 64 ASN H 1 65 ARG H . . 4.000 2.839 2.703 2.995 . 0 0 "[ . 1 . 2]" 1
243 1 64 ASN HA 1 65 ARG H . . 3.320 2.964 2.910 3.051 . 0 0 "[ . 1 . 2]" 1
244 1 63 GLU QG 1 65 ARG H . . 4.440 3.520 1.822 4.446 0.006 12 0 "[ . 1 . 2]" 1
245 1 63 GLU HB2 1 65 ARG H . . 4.230 2.997 2.522 3.471 . 0 0 "[ . 1 . 2]" 1
246 1 63 GLU HB3 1 65 ARG H . . 4.230 3.312 2.375 4.265 0.035 19 0 "[ . 1 . 2]" 1
247 1 65 ARG H 1 65 ARG QG . . 3.910 2.412 2.206 2.742 . 0 0 "[ . 1 . 2]" 1
248 1 27 ALA HA 1 28 TRP H . . 2.940 2.150 2.144 2.160 . 0 0 "[ . 1 . 2]" 1
249 1 28 TRP H 1 65 ARG HA . . 4.060 3.798 3.339 4.050 . 0 0 "[ . 1 . 2]" 1
250 1 27 ALA MB 1 28 TRP H . . 3.250 3.155 3.072 3.205 . 0 0 "[ . 1 . 2]" 1
251 1 46 HIS H 1 77 TYR QD . . 4.390 3.787 3.366 4.217 . 0 0 "[ . 1 . 2]" 1
252 1 45 TYR HB3 1 46 HIS H . . 4.580 4.037 3.773 4.314 . 0 0 "[ . 1 . 2]" 1
253 1 45 TYR HB2 1 46 HIS H . . 4.060 2.998 2.601 3.463 . 0 0 "[ . 1 . 2]" 1
254 1 41 TYR H 1 41 TYR HD1 . . 4.770 2.447 1.956 2.795 . 0 0 "[ . 1 . 2]" 1
255 1 40 ASP HB3 1 41 TYR H . . 3.750 2.849 2.131 3.667 . 0 0 "[ . 1 . 2]" 1
256 1 40 ASP HB2 1 41 TYR H . . 3.750 2.880 2.088 3.739 . 0 0 "[ . 1 . 2]" 1
257 1 84 ARG HA 1 90 GLY H . . 3.910 2.924 2.422 3.532 . 0 0 "[ . 1 . 2]" 1
258 1 89 TYR HB2 1 90 GLY H . . 4.450 4.247 3.999 4.432 . 0 0 "[ . 1 . 2]" 1
259 1 89 TYR QD 1 90 GLY H . . 4.160 3.311 2.843 3.883 . 0 0 "[ . 1 . 2]" 1
260 1 89 TYR HA 1 90 GLY H . . 3.030 2.209 2.147 2.302 . 0 0 "[ . 1 . 2]" 1
261 1 90 GLY H 1 91 PRO QD . . 4.430 4.329 4.276 4.376 . 0 0 "[ . 1 . 2]" 1
262 1 89 TYR HB3 1 90 GLY H . . 3.980 3.111 2.758 3.452 . 0 0 "[ . 1 . 2]" 1
263 1 8 PRO HG2 1 90 GLY H . . 4.830 3.471 3.072 3.909 . 0 0 "[ . 1 . 2]" 1
264 1 51 GLU HA 1 52 GLY H . . 3.560 2.455 2.143 3.573 0.013 13 0 "[ . 1 . 2]" 1
265 1 51 GLU HB2 1 52 GLY H . . 5.080 3.973 2.187 4.613 . 0 0 "[ . 1 . 2]" 1
266 1 6 SER HA 1 7 GLY H . . 3.560 2.566 2.142 3.557 . 0 0 "[ . 1 . 2]" 1
267 1 69 ARG HB3 1 70 GLY H . . 4.250 2.762 2.178 3.104 . 0 0 "[ . 1 . 2]" 1
268 1 69 ARG HB2 1 70 GLY H . . 4.250 3.893 3.454 4.174 . 0 0 "[ . 1 . 2]" 1
269 1 44 LYS H 1 80 GLN H . . 3.680 3.143 2.793 3.495 . 0 0 "[ . 1 . 2]" 1
270 1 44 LYS H 1 92 PHE QE . . 4.210 3.245 2.423 3.827 . 0 0 "[ . 1 . 2]" 1
271 1 44 LYS H 1 81 VAL HA . . 4.120 3.566 3.207 3.834 . 0 0 "[ . 1 . 2]" 1
272 1 43 VAL HA 1 44 LYS H . . 3.050 2.153 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
273 1 44 LYS H 1 44 LYS HB2 . . 3.920 2.960 2.613 3.319 . 0 0 "[ . 1 . 2]" 1
274 1 44 LYS H 1 44 LYS HB3 . . 3.570 2.628 2.360 2.834 . 0 0 "[ . 1 . 2]" 1
275 1 43 VAL MG1 1 44 LYS H . . 3.240 2.777 2.214 3.107 . 0 0 "[ . 1 . 2]" 1
276 1 48 LYS H 1 77 TYR QD . . 4.830 4.609 4.356 4.801 . 0 0 "[ . 1 . 2]" 1
277 1 47 GLU HA 1 48 LYS H . . 3.060 2.201 2.137 2.339 . 0 0 "[ . 1 . 2]" 1
278 1 47 GLU HG2 1 48 LYS H . . 4.120 2.806 1.961 3.775 . 0 0 "[ . 1 . 2]" 1
279 1 47 GLU HG3 1 48 LYS H . . 4.120 3.512 2.674 4.057 . 0 0 "[ . 1 . 2]" 1
280 1 48 LYS H 1 48 LYS HB2 . . 3.400 2.375 2.169 2.591 . 0 0 "[ . 1 . 2]" 1
281 1 48 LYS H 1 48 LYS HB3 . . 3.180 2.761 2.456 3.041 . 0 0 "[ . 1 . 2]" 1
282 1 88 GLY H 1 89 TYR H . . 4.460 4.344 4.193 4.398 . 0 0 "[ . 1 . 2]" 1
283 1 85 SER H 1 88 GLY H . . 3.680 3.056 2.852 3.402 . 0 0 "[ . 1 . 2]" 1
284 1 87 ALA H 1 88 GLY H . . 3.740 2.898 2.619 3.151 . 0 0 "[ . 1 . 2]" 1
285 1 87 ALA MB 1 88 GLY H . . 3.620 2.214 1.999 2.479 . 0 0 "[ . 1 . 2]" 1
286 1 43 VAL H 1 59 LEU H . . 3.780 2.984 2.648 3.431 . 0 0 "[ . 1 . 2]" 1
287 1 43 VAL H 1 60 LYS HA . . 4.260 3.646 3.137 4.205 . 0 0 "[ . 1 . 2]" 1
288 1 43 VAL H 1 43 VAL HB . . 3.390 2.553 2.433 2.723 . 0 0 "[ . 1 . 2]" 1
289 1 43 VAL H 1 59 LEU QB . . 4.480 3.441 2.842 3.820 . 0 0 "[ . 1 . 2]" 1
290 1 32 ARG HA 1 33 ALA H . . 2.790 2.168 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
291 1 33 ALA H 1 33 ALA MB . . 3.210 2.271 2.035 2.639 . 0 0 "[ . 1 . 2]" 1
292 1 33 ALA H 1 38 VAL MG2 . . 4.600 3.850 3.014 4.531 . 0 0 "[ . 1 . 2]" 1
293 1 46 HIS HB3 1 57 ARG H . . 4.360 3.690 3.413 4.128 . 0 0 "[ . 1 . 2]" 1
294 1 56 VAL MG1 1 57 ARG H . . 4.100 3.505 2.005 4.029 . 0 0 "[ . 1 . 2]" 1
295 1 45 TYR H 1 57 ARG H . . 3.670 3.465 3.143 3.673 0.003 9 0 "[ . 1 . 2]" 1
296 1 46 HIS HA 1 57 ARG H . . 4.340 3.642 3.152 4.073 . 0 0 "[ . 1 . 2]" 1
297 1 56 VAL HA 1 57 ARG H . . 2.810 2.196 2.141 2.299 . 0 0 "[ . 1 . 2]" 1
298 1 56 VAL HB 1 57 ARG H . . 4.450 4.052 3.828 4.287 . 0 0 "[ . 1 . 2]" 1
299 1 57 ARG H 1 57 ARG HB3 . . 4.040 3.607 3.518 3.676 . 0 0 "[ . 1 . 2]" 1
300 1 57 ARG H 1 57 ARG HG2 . . 4.450 3.724 2.853 4.446 . 0 0 "[ . 1 . 2]" 1
301 1 56 VAL MG2 1 57 ARG H . . 4.100 2.660 1.897 4.099 . 0 0 "[ . 1 . 2]" 1
302 1 57 ARG H 1 57 ARG HB2 . . 3.510 2.386 2.294 2.472 . 0 0 "[ . 1 . 2]" 1
303 1 22 SER H 1 23 SER H . . 3.210 2.411 1.822 2.791 . 0 0 "[ . 1 . 2]" 1
304 1 26 LEU HB3 1 27 ALA H . . 4.250 2.704 2.309 3.037 . 0 0 "[ . 1 . 2]" 1
305 1 41 TYR H 1 61 THR MG . . 4.400 3.312 2.829 4.111 . 0 0 "[ . 1 . 2]" 1
306 1 44 LYS HB3 1 45 TYR H . . 4.620 4.315 4.125 4.458 . 0 0 "[ . 1 . 2]" 1
307 1 84 ARG HG2 1 85 SER H . . 4.560 3.095 2.092 4.584 0.024 3 0 "[ . 1 . 2]" 1
308 1 80 GLN H 1 80 GLN HG3 . . 4.820 3.601 2.979 4.319 . 0 0 "[ . 1 . 2]" 1
309 1 79 VAL HB 1 80 GLN H . . 4.510 4.032 3.784 4.219 . 0 0 "[ . 1 . 2]" 1
310 1 45 TYR H 1 45 TYR QE . . 4.600 3.838 3.660 4.112 . 0 0 "[ . 1 . 2]" 1
311 1 45 TYR H 1 57 ARG HB2 . . 4.720 3.892 3.447 4.500 . 0 0 "[ . 1 . 2]" 1
312 1 82 ARG HE 1 92 PHE QE . . 5.050 3.628 2.717 4.584 . 0 0 "[ . 1 . 2]" 1
313 1 42 GLU HB2 1 82 ARG HE . . 4.610 3.224 1.988 4.432 . 0 0 "[ . 1 . 2]" 1
314 1 82 ARG HB2 1 82 ARG HE . . 4.620 4.112 3.617 4.508 . 0 0 "[ . 1 . 2]" 1
315 1 28 TRP HE1 1 41 TYR HB3 . . 5.030 3.392 2.872 3.643 . 0 0 "[ . 1 . 2]" 1
316 1 28 TRP HE1 1 41 TYR HB2 . . 5.030 3.608 3.361 3.952 . 0 0 "[ . 1 . 2]" 1
317 1 11 VAL MG2 1 28 TRP HE1 . . 4.380 3.795 2.917 4.213 . 0 0 "[ . 1 . 2]" 1
318 1 39 LEU MD1 1 86 GLU H . . 4.560 2.827 2.029 3.383 . 0 0 "[ . 1 . 2]" 1
319 1 13 ASP H 1 14 ILE H . . 3.000 3.002 2.976 3.037 0.037 6 0 "[ . 1 . 2]" 1
320 1 16 VAL H 1 17 THR H . . 4.620 4.196 3.842 4.434 . 0 0 "[ . 1 . 2]" 1
321 1 16 VAL HB 1 17 THR H . . 4.650 4.331 4.129 4.517 . 0 0 "[ . 1 . 2]" 1
322 1 23 SER H 1 24 LEU H . . 4.720 4.363 4.056 4.567 . 0 0 "[ . 1 . 2]" 1
323 1 26 LEU H 1 28 TRP HZ3 . . 4.870 4.111 3.874 4.368 . 0 0 "[ . 1 . 2]" 1
324 1 25 SER HB3 1 26 LEU H . . 4.430 3.673 2.292 4.357 . 0 0 "[ . 1 . 2]" 1
325 1 26 LEU H 1 27 ALA MB . . 5.190 4.511 4.135 4.781 . 0 0 "[ . 1 . 2]" 1
326 1 26 LEU H 1 68 LEU HG . . 5.500 4.715 4.032 5.407 . 0 0 "[ . 1 . 2]" 1
327 1 26 LEU MD2 1 27 ALA H . . 4.700 3.568 3.246 3.867 . 0 0 "[ . 1 . 2]" 1
328 1 28 TRP H 1 29 ALA H . . 4.740 4.500 4.496 4.502 . 0 0 "[ . 1 . 2]" 1
329 1 28 TRP HD1 1 29 ALA H . . 4.540 4.522 4.421 4.550 0.010 1 0 "[ . 1 . 2]" 1
330 1 29 ALA H 1 30 VAL H . . 4.840 4.393 4.333 4.538 . 0 0 "[ . 1 . 2]" 1
331 1 9 PRO HG2 1 32 ARG H . . 4.520 3.677 2.995 4.511 . 0 0 "[ . 1 . 2]" 1
332 1 33 ALA H 1 34 PRO QD . . 4.910 4.351 4.263 4.378 . 0 0 "[ . 1 . 2]" 1
333 1 37 ALA MB 1 38 VAL H . . 3.200 2.586 2.205 3.002 . 0 0 "[ . 1 . 2]" 1
334 1 42 GLU H 1 43 VAL H . . 4.740 4.213 4.003 4.407 . 0 0 "[ . 1 . 2]" 1
335 1 42 GLU H 1 89 TYR QE . . 4.810 4.528 3.889 4.811 0.001 9 0 "[ . 1 . 2]" 1
336 1 42 GLU HB3 1 43 VAL H . . 4.840 4.021 3.638 4.307 . 0 0 "[ . 1 . 2]" 1
337 1 43 VAL HB 1 44 LYS H . . 4.530 4.320 4.059 4.412 . 0 0 "[ . 1 . 2]" 1
338 1 45 TYR H 1 56 VAL HA . . 5.500 5.005 4.462 5.353 . 0 0 "[ . 1 . 2]" 1
339 1 46 HIS H 1 78 LEU HB2 . . 4.910 3.813 3.293 4.852 . 0 0 "[ . 1 . 2]" 1
340 1 45 TYR QD 1 46 HIS H . . 4.810 4.180 3.782 4.552 . 0 0 "[ . 1 . 2]" 1
341 1 64 ASN H 1 65 ARG QG . . 4.520 3.364 3.016 4.188 . 0 0 "[ . 1 . 2]" 1
342 1 62 SER HB3 1 63 GLU H . . 4.750 4.217 2.678 4.637 . 0 0 "[ . 1 . 2]" 1
343 1 61 THR HA 1 63 GLU H . . 4.590 3.933 3.531 4.289 . 0 0 "[ . 1 . 2]" 1
344 1 56 VAL H 1 57 ARG H . . 4.770 4.528 4.333 4.623 . 0 0 "[ . 1 . 2]" 1
345 1 82 ARG H 1 92 PHE QD . . 4.900 3.818 3.470 4.226 . 0 0 "[ . 1 . 2]" 1
346 1 43 VAL HA 1 82 ARG H . . 4.480 3.890 3.669 4.093 . 0 0 "[ . 1 . 2]" 1
347 1 45 TYR HA 1 78 LEU H . . 5.410 4.893 4.635 5.148 . 0 0 "[ . 1 . 2]" 1
348 1 78 LEU H 1 78 LEU MD1 . . 4.630 3.540 2.266 4.126 . 0 0 "[ . 1 . 2]" 1
349 1 78 LEU HB3 1 79 VAL H . . 4.670 3.814 3.642 3.887 . 0 0 "[ . 1 . 2]" 1
350 1 79 VAL H 1 96 HIS H . . 4.750 3.698 3.025 4.152 . 0 0 "[ . 1 . 2]" 1
351 1 83 ALA H 1 90 GLY H . . 4.460 4.017 3.637 4.357 . 0 0 "[ . 1 . 2]" 1
352 1 8 PRO HG3 1 90 GLY H . . 4.830 4.386 3.848 4.831 0.001 8 0 "[ . 1 . 2]" 1
353 1 82 ARG HB2 1 90 GLY H . . 4.770 4.055 3.721 4.547 . 0 0 "[ . 1 . 2]" 1
354 1 83 ALA MB 1 90 GLY H . . 4.540 4.466 4.272 4.544 0.004 3 0 "[ . 1 . 2]" 1
355 1 60 LYS HG2 1 61 THR H . . 4.700 4.285 3.892 4.570 . 0 0 "[ . 1 . 2]" 1
356 1 45 TYR QE 1 58 PHE H . . 4.660 4.315 3.907 4.653 . 0 0 "[ . 1 . 2]" 1
357 1 54 SER HA 1 56 VAL H . . 4.340 4.120 3.641 4.319 . 0 0 "[ . 1 . 2]" 1
358 1 53 PRO HA 1 55 SER H . . 4.880 4.033 3.236 4.818 . 0 0 "[ . 1 . 2]" 1
359 1 54 SER HB3 1 55 SER H . . 4.940 3.705 2.329 4.651 . 0 0 "[ . 1 . 2]" 1
360 1 54 SER HB2 1 55 SER H . . 4.940 3.858 2.597 4.597 . 0 0 "[ . 1 . 2]" 1
361 1 91 PRO HA 1 92 PHE H . . 3.010 2.236 2.151 2.373 . 0 0 "[ . 1 . 2]" 1
362 1 41 TYR H 1 41 TYR QE . . 4.970 4.567 4.218 4.866 . 0 0 "[ . 1 . 2]" 1
363 1 28 TRP HE3 1 29 ALA H . . 5.500 5.535 5.524 5.567 0.067 15 0 "[ . 1 . 2]" 1
364 1 72 LYS HB2 1 73 ARG H . . 5.000 4.281 3.288 4.593 . 0 0 "[ . 1 . 2]" 1
365 1 72 LYS HB2 1 75 ALA H . . 4.880 4.068 2.480 4.719 . 0 0 "[ . 1 . 2]" 1
366 1 31 PRO HB2 1 33 ALA H . . 5.500 4.934 4.213 5.504 0.004 9 0 "[ . 1 . 2]" 1
367 1 85 SER HB2 1 87 ALA H . . 4.840 4.036 3.256 4.761 . 0 0 "[ . 1 . 2]" 1
368 1 85 SER HB3 1 87 ALA H . . 4.840 3.434 2.262 4.737 . 0 0 "[ . 1 . 2]" 1
369 1 39 LEU HG 1 86 GLU H . . 4.920 3.378 2.764 3.737 . 0 0 "[ . 1 . 2]" 1
370 1 19 SER H 1 20 SER H . . 5.170 4.490 4.059 4.647 . 0 0 "[ . 1 . 2]" 1
371 1 30 VAL H 1 30 VAL MG2 . . 3.940 2.097 1.876 3.740 . 0 0 "[ . 1 . 2]" 1
372 1 53 PRO HA 1 56 VAL H . . 4.910 4.232 3.634 4.757 . 0 0 "[ . 1 . 2]" 1
373 1 51 GLU HB3 1 52 GLY H . . 5.080 3.475 2.424 4.425 . 0 0 "[ . 1 . 2]" 1
374 1 49 GLY H 1 50 ALA H . . 5.140 3.083 1.930 4.126 . 0 0 "[ . 1 . 2]" 1
375 1 44 LYS HA 1 57 ARG H . . 5.060 4.735 4.410 5.035 . 0 0 "[ . 1 . 2]" 1
376 1 57 ARG H 1 57 ARG QD . . 4.620 4.056 2.348 4.627 0.007 20 0 "[ . 1 . 2]" 1
377 1 46 HIS HB2 1 57 ARG H . . 4.670 4.424 4.042 4.666 . 0 0 "[ . 1 . 2]" 1
378 1 39 LEU H 1 40 ASP H . . 5.250 3.218 2.297 4.586 . 0 0 "[ . 1 . 2]" 1
379 1 79 VAL H 1 96 HIS HB3 . . 5.500 3.749 2.699 4.173 . 0 0 "[ . 1 . 2]" 1
380 1 79 VAL H 1 96 HIS HB2 . . 5.500 5.267 4.179 5.496 . 0 0 "[ . 1 . 2]" 1
381 1 45 TYR QD 1 77 TYR QD . . 3.970 3.289 2.760 3.549 . 0 0 "[ . 1 . 2]" 1
382 1 45 TYR QD 1 77 TYR QE . . 4.410 3.509 3.103 3.836 . 0 0 "[ . 1 . 2]" 1
383 1 45 TYR HA 1 45 TYR QD . . 4.350 3.696 3.648 3.728 . 0 0 "[ . 1 . 2]" 1
384 1 82 ARG HG2 1 92 PHE QE . . 4.910 2.697 2.113 3.238 . 0 0 "[ . 1 . 2]" 1
385 1 80 GLN HB3 1 92 PHE QD . . 4.740 2.386 2.000 2.665 . 0 0 "[ . 1 . 2]" 1
386 1 44 LYS HB2 1 58 PHE QD . . 4.550 3.871 2.570 4.426 . 0 0 "[ . 1 . 2]" 1
387 1 44 LYS HB3 1 92 PHE QD . . 5.500 4.617 3.820 5.283 . 0 0 "[ . 1 . 2]" 1
388 1 56 VAL MG1 1 58 PHE HZ . . 5.500 3.901 2.835 4.703 . 0 0 "[ . 1 . 2]" 1
389 1 11 VAL MG2 1 28 TRP HD1 . . 4.970 3.185 2.550 3.562 . 0 0 "[ . 1 . 2]" 1
390 1 8 PRO HA 1 9 PRO HD3 . . 3.030 2.364 2.320 2.387 . 0 0 "[ . 1 . 2]" 1
391 1 8 PRO HA 1 33 ALA MB . . 4.200 2.891 2.224 3.934 . 0 0 "[ . 1 . 2]" 1
392 1 43 VAL HA 1 81 VAL HA . . 3.440 2.649 2.518 2.917 . 0 0 "[ . 1 . 2]" 1
393 1 81 VAL HA 1 81 VAL MG2 . . 3.520 2.359 2.267 2.462 . 0 0 "[ . 1 . 2]" 1
394 1 81 VAL HA 1 81 VAL MG1 . . 3.520 2.342 2.201 2.458 . 0 0 "[ . 1 . 2]" 1
395 1 45 TYR HB3 1 79 VAL HA . . 4.220 2.940 2.275 3.424 . 0 0 "[ . 1 . 2]" 1
396 1 89 TYR HA 1 89 TYR QD . . 3.610 2.755 2.152 3.105 . 0 0 "[ . 1 . 2]" 1
397 1 84 ARG HA 1 89 TYR HA . . 3.390 2.533 2.189 2.780 . 0 0 "[ . 1 . 2]" 1
398 1 61 THR HA 1 62 SER H . . 3.560 2.205 2.141 2.336 . 0 0 "[ . 1 . 2]" 1
399 1 20 SER HA 1 21 PRO HD3 . . 3.700 2.319 2.285 2.353 . 0 0 "[ . 1 . 2]" 1
400 1 76 SER HA 1 77 TYR QD . . 4.440 4.293 3.365 4.434 . 0 0 "[ . 1 . 2]" 1
401 1 76 SER HA 1 77 TYR QB . . 4.340 4.143 4.037 4.341 0.001 12 0 "[ . 1 . 2]" 1
402 1 23 SER HA 1 71 LEU HB2 . . 4.430 3.741 2.979 4.414 . 0 0 "[ . 1 . 2]" 1
403 1 41 TYR HA 1 83 ALA HA . . 3.330 2.735 2.436 3.016 . 0 0 "[ . 1 . 2]" 1
404 1 41 TYR HA 1 83 ALA MB . . 4.390 4.227 3.893 4.390 0.000 20 0 "[ . 1 . 2]" 1
405 1 28 TRP HZ3 1 66 ALA MB . . 4.190 3.613 3.293 3.930 . 0 0 "[ . 1 . 2]" 1
406 1 28 TRP HZ3 1 43 VAL MG2 . . 4.280 3.888 3.553 4.209 . 0 0 "[ . 1 . 2]" 1
407 1 45 TYR H 1 58 PHE HA . . 4.280 3.969 3.497 4.225 . 0 0 "[ . 1 . 2]" 1
408 1 58 PHE HA 1 58 PHE QD . . 3.780 2.990 2.850 3.104 . 0 0 "[ . 1 . 2]" 1
409 1 45 TYR QD 1 58 PHE HA . . 4.740 4.337 3.813 4.668 . 0 0 "[ . 1 . 2]" 1
410 1 45 TYR QE 1 58 PHE HA . . 4.450 4.116 3.563 4.450 . 0 0 "[ . 1 . 2]" 1
411 1 42 GLU QG 1 58 PHE HA . . 5.110 4.384 3.644 4.890 . 0 0 "[ . 1 . 2]" 1
412 1 43 VAL HB 1 58 PHE HA . . 5.500 4.992 4.326 5.496 . 0 0 "[ . 1 . 2]" 1
413 1 22 SER HA 1 71 LEU HB2 . . 3.940 3.592 2.138 3.941 0.001 11 0 "[ . 1 . 2]" 1
414 1 15 ARG H 1 28 TRP HA . . 4.160 3.248 2.759 3.889 . 0 0 "[ . 1 . 2]" 1
415 1 14 ILE HA 1 28 TRP HA . . 3.450 2.540 2.266 2.900 . 0 0 "[ . 1 . 2]" 1
416 1 28 TRP HA 1 29 ALA MB . . 4.160 3.993 3.923 4.082 . 0 0 "[ . 1 . 2]" 1
417 1 39 LEU H 1 85 SER HA . . 4.110 2.759 2.208 3.372 . 0 0 "[ . 1 . 2]" 1
418 1 38 VAL HA 1 85 SER HA . . 3.800 3.176 2.666 3.695 . 0 0 "[ . 1 . 2]" 1
419 1 39 LEU HG 1 85 SER HA . . 3.660 2.598 2.269 2.941 . 0 0 "[ . 1 . 2]" 1
420 1 39 LEU QB 1 85 SER HA . . 4.400 3.475 2.728 4.191 . 0 0 "[ . 1 . 2]" 1
421 1 42 GLU HA 1 60 LYS HA . . 3.460 2.784 2.293 3.084 . 0 0 "[ . 1 . 2]" 1
422 1 60 LYS HA 1 60 LYS HG3 . . 4.070 2.563 2.181 2.690 . 0 0 "[ . 1 . 2]" 1
423 1 60 LYS HA 1 60 LYS HG2 . . 4.070 2.792 2.562 3.483 . 0 0 "[ . 1 . 2]" 1
424 1 42 GLU HA 1 43 VAL H . . 2.990 2.164 2.139 2.240 . 0 0 "[ . 1 . 2]" 1
425 1 42 GLU HA 1 42 GLU QG . . 3.540 2.340 2.194 2.729 . 0 0 "[ . 1 . 2]" 1
426 1 78 LEU HA 1 97 HIS HA . . 3.950 3.358 2.340 3.907 . 0 0 "[ . 1 . 2]" 1
427 1 45 TYR HA 1 46 HIS H . . 3.100 2.219 2.139 2.333 . 0 0 "[ . 1 . 2]" 1
428 1 45 TYR HA 1 79 VAL MG1 . . 4.410 3.927 3.242 4.403 . 0 0 "[ . 1 . 2]" 1
429 1 45 TYR HA 1 79 VAL HA . . 3.630 2.448 2.001 2.896 . 0 0 "[ . 1 . 2]" 1
430 1 59 LEU HA 1 60 LYS QB . . 4.590 4.258 4.160 4.346 . 0 0 "[ . 1 . 2]" 1
431 1 72 LYS HB2 1 77 TYR QE . . 5.070 2.531 2.004 3.315 . 0 0 "[ . 1 . 2]" 1
432 1 77 TYR QE 1 100 THR MG . . 4.940 4.723 4.433 4.941 0.001 4 0 "[ . 1 . 2]" 1
433 1 71 LEU MD2 1 77 TYR QE . . 5.060 3.026 2.066 3.751 . 0 0 "[ . 1 . 2]" 1
434 1 72 LYS HB3 1 77 TYR QE . . 5.070 3.951 3.168 4.620 . 0 0 "[ . 1 . 2]" 1
435 1 71 LEU HB3 1 77 TYR QE . . 4.060 3.182 2.488 3.509 . 0 0 "[ . 1 . 2]" 1
436 1 42 GLU HB2 1 89 TYR QE . . 4.170 2.501 2.013 3.095 . 0 0 "[ . 1 . 2]" 1
437 1 42 GLU HB3 1 89 TYR QE . . 4.170 3.800 3.279 4.165 . 0 0 "[ . 1 . 2]" 1
438 1 26 LEU H 1 67 GLU HA . . 3.950 3.301 2.803 3.884 . 0 0 "[ . 1 . 2]" 1
439 1 25 SER HA 1 67 GLU HA . . 3.430 2.155 1.999 2.452 . 0 0 "[ . 1 . 2]" 1
440 1 66 ALA MB 1 67 GLU HA . . 4.400 3.960 3.824 4.160 . 0 0 "[ . 1 . 2]" 1
441 1 84 ARG HB3 1 89 TYR QE . . 4.760 3.872 2.852 4.733 . 0 0 "[ . 1 . 2]" 1
442 1 67 GLU HA 1 67 GLU HG3 . . 4.120 2.540 2.362 2.922 . 0 0 "[ . 1 . 2]" 1
443 1 80 GLN HA 1 81 VAL H . . 3.510 2.140 2.139 2.151 . 0 0 "[ . 1 . 2]" 1
444 1 63 GLU HA 1 63 GLU QG . . 3.700 2.898 2.255 3.423 . 0 0 "[ . 1 . 2]" 1
445 1 26 LEU HB3 1 28 TRP HE3 . . 4.130 3.302 3.163 3.430 . 0 0 "[ . 1 . 2]" 1
446 1 15 ARG HA 1 16 VAL H . . 2.900 2.308 2.162 2.418 . 0 0 "[ . 1 . 2]" 1
447 1 15 ARG HA 1 16 VAL HB . . 4.860 4.632 4.442 4.857 . 0 0 "[ . 1 . 2]" 1
448 1 44 LYS HA 1 44 LYS HG3 . . 4.180 2.600 2.333 2.945 . 0 0 "[ . 1 . 2]" 1
449 1 44 LYS HA 1 58 PHE QD . . 4.400 4.157 3.311 4.400 . 3 0 "[ . 1 . 2]" 1
450 1 44 LYS HA 1 45 TYR QD . . 4.260 3.253 2.946 3.603 . 0 0 "[ . 1 . 2]" 1
451 1 44 LYS HA 1 58 PHE HA . . 3.440 2.819 2.473 3.082 . 0 0 "[ . 1 . 2]" 1
452 1 44 LYS HA 1 44 LYS HG2 . . 4.180 3.081 2.739 3.660 . 0 0 "[ . 1 . 2]" 1
453 1 46 HIS HA 1 47 GLU H . . 3.200 2.199 2.143 2.309 . 0 0 "[ . 1 . 2]" 1
454 1 46 HIS HA 1 77 TYR QD . . 4.800 4.152 3.406 4.628 . 0 0 "[ . 1 . 2]" 1
455 1 45 TYR QE 1 68 LEU MD2 . . 3.760 2.804 2.302 3.221 . 0 0 "[ . 1 . 2]" 1
456 1 45 TYR QE 1 57 ARG HB2 . . 4.660 3.007 2.639 3.309 . 0 0 "[ . 1 . 2]" 1
457 1 82 ARG HA 1 92 PHE HA . . 4.200 3.239 2.926 3.883 . 0 0 "[ . 1 . 2]" 1
458 1 26 LEU HA 1 27 ALA H . . 3.120 2.299 2.193 2.451 . 0 0 "[ . 1 . 2]" 1
459 1 16 VAL HA 1 26 LEU HA . . 3.480 2.817 2.280 3.282 . 0 0 "[ . 1 . 2]" 1
460 1 16 VAL MG1 1 26 LEU HA . . 4.930 3.895 3.120 4.720 . 0 0 "[ . 1 . 2]" 1
461 1 16 VAL MG2 1 26 LEU HA . . 4.930 3.316 2.855 4.707 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU HA 1 26 LEU MD2 . . 3.340 2.374 2.054 2.626 . 0 0 "[ . 1 . 2]" 1
463 1 33 ALA HA 1 34 PRO QD . . 2.870 2.038 1.953 2.176 . 0 0 "[ . 1 . 2]" 1
464 1 33 ALA HA 1 34 PRO HG2 . . 5.500 4.434 4.305 4.630 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU HB2 1 26 LEU MD1 . . 5.500 4.538 4.054 5.268 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU HB2 1 26 LEU MD2 . . 5.500 4.333 3.631 4.993 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU HB2 1 68 LEU MD1 . . 4.060 2.759 2.147 3.206 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU HB3 1 68 LEU HB2 . . 4.710 4.309 3.764 4.710 0.000 20 0 "[ . 1 . 2]" 1
469 1 24 LEU HB3 1 68 LEU MD1 . . 4.510 3.723 2.976 4.484 . 0 0 "[ . 1 . 2]" 1
470 1 26 LEU HB2 1 28 TRP HZ3 . . 3.670 2.037 1.997 2.126 . 0 0 "[ . 1 . 2]" 1
471 1 26 LEU HB2 1 26 LEU MD1 . . 3.570 2.173 1.996 2.292 . 0 0 "[ . 1 . 2]" 1
472 1 26 LEU HB3 1 28 TRP HZ3 . . 3.940 2.192 2.064 2.457 . 0 0 "[ . 1 . 2]" 1
473 1 43 VAL MG1 1 59 LEU QB . . 4.060 3.027 2.702 3.283 . 0 0 "[ . 1 . 2]" 1
474 1 43 VAL MG2 1 59 LEU QB . . 4.580 3.446 3.168 3.752 . 0 0 "[ . 1 . 2]" 1
475 1 14 ILE MD 1 80 GLN HA . . 4.060 3.897 3.475 4.063 0.003 12 0 "[ . 1 . 2]" 1
476 1 14 ILE HA 1 14 ILE MD . . 4.040 3.885 3.840 3.961 . 0 0 "[ . 1 . 2]" 1
477 1 14 ILE MD 1 96 HIS HB3 . . 4.610 4.335 3.597 4.606 . 0 0 "[ . 1 . 2]" 1
478 1 14 ILE HB 1 14 ILE MD . . 3.400 2.255 2.146 2.400 . 0 0 "[ . 1 . 2]" 1
479 1 14 ILE MD 1 81 VAL HB . . 3.640 2.326 1.989 2.600 . 0 0 "[ . 1 . 2]" 1
480 1 14 ILE MD 1 14 ILE MG . . 3.020 2.251 2.074 2.382 . 0 0 "[ . 1 . 2]" 1
481 1 59 LEU QB 1 60 LYS H . . 4.180 3.825 3.652 3.896 . 0 0 "[ . 1 . 2]" 1
482 1 45 TYR QE 1 59 LEU QB . . 3.870 2.757 2.329 3.112 . 0 0 "[ . 1 . 2]" 1
483 1 52 GLY HA3 1 53 PRO HD2 . . 3.610 2.460 1.940 2.762 . 0 0 "[ . 1 . 2]" 1
484 1 52 GLY HA2 1 53 PRO HD3 . . 3.610 2.435 2.264 2.991 . 0 0 "[ . 1 . 2]" 1
485 1 105 GLY QA 1 106 PRO QD . . 2.750 1.964 1.882 2.115 . 0 0 "[ . 1 . 2]" 1
486 1 7 GLY HA2 1 87 ALA MB . . 4.100 2.515 1.998 3.094 . 0 0 "[ . 1 . 2]" 1
487 1 90 GLY HA3 1 91 PRO QD . . 3.410 2.350 2.247 2.539 . 0 0 "[ . 1 . 2]" 1
488 1 90 GLY HA2 1 91 PRO QD . . 3.410 2.233 2.101 2.313 . 0 0 "[ . 1 . 2]" 1
489 1 18 ARG HB3 1 18 ARG QD . . 3.450 2.632 2.107 3.428 . 0 0 "[ . 1 . 2]" 1
490 1 18 ARG HB2 1 18 ARG QD . . 3.450 2.701 2.238 3.409 . 0 0 "[ . 1 . 2]" 1
491 1 69 ARG HB2 1 69 ARG QD . . 3.630 2.461 2.152 2.865 . 0 0 "[ . 1 . 2]" 1
492 1 69 ARG HB3 1 69 ARG QD . . 3.630 2.811 2.163 3.455 . 0 0 "[ . 1 . 2]" 1
493 1 57 ARG HB2 1 57 ARG QD . . 3.850 2.792 2.205 3.292 . 0 0 "[ . 1 . 2]" 1
494 1 63 GLU QG 1 65 ARG QD . . 4.620 3.961 2.328 4.562 . 0 0 "[ . 1 . 2]" 1
495 1 65 ARG HB3 1 65 ARG QD . . 3.420 2.376 2.144 2.949 . 0 0 "[ . 1 . 2]" 1
496 1 65 ARG HB2 1 65 ARG QD . . 3.500 2.757 2.221 3.231 . 0 0 "[ . 1 . 2]" 1
497 1 39 LEU QB 1 40 ASP H . . 4.370 2.049 1.929 2.253 . 0 0 "[ . 1 . 2]" 1
498 1 28 TRP HZ2 1 41 TYR HB2 . . 4.290 2.841 2.551 3.272 . 0 0 "[ . 1 . 2]" 1
499 1 28 TRP HZ2 1 41 TYR HB3 . . 4.290 3.504 3.168 3.768 . 0 0 "[ . 1 . 2]" 1
500 1 102 LEU QB 1 103 ASP H . . 4.320 3.370 2.330 3.991 . 0 0 "[ . 1 . 2]" 1
501 1 60 LYS QB 1 60 LYS QE . . 4.000 3.207 2.027 3.660 . 0 0 "[ . 1 . 2]" 1
502 1 42 GLU QG 1 60 LYS QE . . 4.660 3.846 2.515 4.660 . 0 0 "[ . 1 . 2]" 1
503 1 72 LYS QE 1 72 LYS HG2 . . 3.760 2.617 2.113 3.261 . 0 0 "[ . 1 . 2]" 1
504 1 72 LYS QE 1 72 LYS HG3 . . 3.760 2.761 2.105 3.500 . 0 0 "[ . 1 . 2]" 1
505 1 48 LYS QE 1 76 SER QB . . 4.520 3.818 2.006 4.518 . 0 0 "[ . 1 . 2]" 1
506 1 48 LYS QE 1 48 LYS QG . . 3.210 2.178 2.079 2.349 . 0 0 "[ . 1 . 2]" 1
507 1 48 LYS QE 1 78 LEU MD2 . . 4.300 3.051 1.923 4.299 . 0 0 "[ . 1 . 2]" 1
508 1 24 LEU HB2 1 68 LEU HB2 . . 4.070 2.766 2.281 3.041 . 0 0 "[ . 1 . 2]" 1
509 1 24 LEU HB2 1 68 LEU HB3 . . 4.710 4.317 3.932 4.672 . 0 0 "[ . 1 . 2]" 1
510 1 68 LEU HB3 1 68 LEU MD1 . . 3.490 2.443 2.267 2.644 . 0 0 "[ . 1 . 2]" 1
511 1 44 LYS HE3 1 58 PHE QE . . 5.500 4.023 2.185 5.069 . 0 0 "[ . 1 . 2]" 1
512 1 44 LYS HE3 1 58 PHE HZ . . 5.500 3.712 1.997 5.369 . 0 0 "[ . 1 . 2]" 1
513 1 82 ARG HD2 1 89 TYR HB3 . . 4.860 3.413 2.452 4.137 . 0 0 "[ . 1 . 2]" 1
514 1 71 LEU HB3 1 77 TYR QD . . 4.860 4.147 3.707 4.477 . 0 0 "[ . 1 . 2]" 1
515 1 13 ASP HB2 1 29 ALA MB . . 3.820 2.967 1.971 3.587 . 0 0 "[ . 1 . 2]" 1
516 1 13 ASP HB3 1 29 ALA MB . . 3.820 3.019 2.008 3.701 . 0 0 "[ . 1 . 2]" 1
517 1 42 GLU QG 1 60 LYS HA . . 4.430 3.673 3.040 4.423 . 0 0 "[ . 1 . 2]" 1
518 1 42 GLU QG 1 58 PHE HB3 . . 4.310 3.664 3.157 3.891 . 0 0 "[ . 1 . 2]" 1
519 1 42 GLU QG 1 43 VAL H . . 4.050 3.005 2.233 3.556 . 0 0 "[ . 1 . 2]" 1
520 1 42 GLU QG 1 58 PHE QD . . 3.860 2.571 2.004 3.124 . 0 0 "[ . 1 . 2]" 1
521 1 61 THR HB 1 63 GLU H . . 4.640 4.354 3.897 4.641 0.001 19 0 "[ . 1 . 2]" 1
522 1 61 THR HB 1 66 ALA MB . . 4.320 3.002 2.330 3.475 . 0 0 "[ . 1 . 2]" 1
523 1 59 LEU MD2 1 61 THR HB . . 4.050 3.400 2.959 3.764 . 0 0 "[ . 1 . 2]" 1
524 1 95 GLU HA 1 95 GLU HG2 . . 4.100 3.556 2.616 4.143 0.043 10 0 "[ . 1 . 2]" 1
525 1 44 LYS HB2 1 92 PHE QE . . 4.600 3.439 2.821 4.230 . 0 0 "[ . 1 . 2]" 1
526 1 44 LYS HB2 1 92 PHE HZ . . 4.770 2.832 2.088 3.499 . 0 0 "[ . 1 . 2]" 1
527 1 44 LYS HB2 1 58 PHE QE . . 4.350 3.475 2.290 4.025 . 0 0 "[ . 1 . 2]" 1
528 1 44 LYS HB3 1 92 PHE QE . . 4.540 3.262 2.473 3.918 . 0 0 "[ . 1 . 2]" 1
529 1 44 LYS HB3 1 92 PHE HZ . . 4.940 3.318 2.659 4.027 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU MD1 1 86 GLU QG . . 3.640 2.717 1.973 3.516 . 0 0 "[ . 1 . 2]" 1
531 1 86 GLU H 1 86 GLU QG . . 4.190 2.455 2.102 3.885 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU MD2 1 86 GLU QG . . 4.190 3.230 2.611 4.190 0.000 11 0 "[ . 1 . 2]" 1
533 1 63 GLU QG 1 65 ARG QG . . 4.170 3.026 1.814 3.858 . 0 0 "[ . 1 . 2]" 1
534 1 80 GLN HG3 1 95 GLU HA . . 4.210 3.019 2.088 3.773 . 0 0 "[ . 1 . 2]" 1
535 1 67 GLU HG2 1 68 LEU H . . 4.620 3.663 2.458 4.526 . 0 0 "[ . 1 . 2]" 1
536 1 67 GLU HA 1 67 GLU HG2 . . 4.120 3.261 2.636 3.876 . 0 0 "[ . 1 . 2]" 1
537 1 85 SER HB3 1 86 GLU H . . 4.160 3.400 2.778 3.907 . 0 0 "[ . 1 . 2]" 1
538 1 81 VAL H 1 81 VAL HB . . 4.200 2.583 2.519 2.686 . 0 0 "[ . 1 . 2]" 1
539 1 11 VAL MG2 1 81 VAL HB . . 4.270 3.318 2.945 3.507 . 0 0 "[ . 1 . 2]" 1
540 1 23 SER HB2 1 24 LEU H . . 4.020 2.901 2.330 3.979 . 0 0 "[ . 1 . 2]" 1
541 1 23 SER HB2 1 69 ARG QG . . 4.260 3.585 2.692 4.199 . 0 0 "[ . 1 . 2]" 1
542 1 60 LYS QB 1 60 LYS QD . . 3.200 2.142 2.036 2.316 . 0 0 "[ . 1 . 2]" 1
543 1 12 SER QB 1 13 ASP H . . 3.720 2.167 2.076 2.297 . 0 0 "[ . 1 . 2]" 1
544 1 101 GLN HA 1 101 GLN QG . . 3.770 2.546 2.188 3.432 . 0 0 "[ . 1 . 2]" 1
545 1 24 LEU MD1 1 98 SER HB2 . . 5.130 2.932 2.005 4.037 . 0 0 "[ . 1 . 2]" 1
546 1 43 VAL HB 1 59 LEU H . . 4.160 3.388 2.785 3.771 . 0 0 "[ . 1 . 2]" 1
547 1 16 VAL MG1 1 98 SER HB2 . . 5.360 4.491 3.679 5.251 . 0 0 "[ . 1 . 2]" 1
548 1 43 VAL HB 1 59 LEU QB . . 3.480 2.056 1.993 2.240 . 0 0 "[ . 1 . 2]" 1
549 1 15 ARG HB2 1 16 VAL H . . 4.220 3.746 2.464 4.183 . 0 0 "[ . 1 . 2]" 1
550 1 48 LYS HB2 1 48 LYS QD . . 3.740 2.307 2.094 3.384 . 0 0 "[ . 1 . 2]" 1
551 1 15 ARG HB3 1 16 VAL H . . 4.220 3.305 2.443 4.116 . 0 0 "[ . 1 . 2]" 1
552 1 16 VAL H 1 16 VAL HB . . 3.370 2.741 2.329 3.281 . 0 0 "[ . 1 . 2]" 1
553 1 63 GLU HB3 1 64 ASN H . . 4.120 2.816 2.024 3.879 . 0 0 "[ . 1 . 2]" 1
554 1 63 GLU HB3 1 65 ARG QG . . 4.230 2.982 2.147 4.182 . 0 0 "[ . 1 . 2]" 1
555 1 76 SER QB 1 77 TYR H . . 3.990 3.238 2.814 3.687 . 0 0 "[ . 1 . 2]" 1
556 1 76 SER H 1 76 SER QB . . 3.530 2.392 2.151 2.719 . 0 0 "[ . 1 . 2]" 1
557 1 48 LYS HB2 1 76 SER QB . . 3.630 2.375 1.841 2.947 . 0 0 "[ . 1 . 2]" 1
558 1 48 LYS HB3 1 76 SER QB . . 3.630 2.572 1.976 3.301 . 0 0 "[ . 1 . 2]" 1
559 1 63 GLU HB2 1 65 ARG QG . . 4.230 2.946 2.346 3.563 . 0 0 "[ . 1 . 2]" 1
560 1 48 LYS HB3 1 48 LYS QD . . 3.900 2.794 2.277 3.388 . 0 0 "[ . 1 . 2]" 1
561 1 31 PRO HB2 1 38 VAL MG2 . . 4.470 4.004 3.260 4.400 . 0 0 "[ . 1 . 2]" 1
562 1 65 ARG HB3 1 66 ALA H . . 4.170 4.048 3.838 4.170 0.000 8 0 "[ . 1 . 2]" 1
563 1 11 VAL HB 1 81 VAL HB . . 3.770 3.072 2.800 3.462 . 0 0 "[ . 1 . 2]" 1
564 1 11 VAL HB 1 81 VAL MG1 . . 5.090 3.320 2.904 3.987 . 0 0 "[ . 1 . 2]" 1
565 1 38 VAL HA 1 39 LEU H . . 3.490 2.195 2.142 2.337 . 0 0 "[ . 1 . 2]" 1
566 1 25 SER HB2 1 26 LEU H . . 4.430 4.175 3.729 4.437 0.007 18 0 "[ . 1 . 2]" 1
567 1 18 ARG HB2 1 25 SER HB3 . . 5.410 3.550 2.363 5.427 0.017 11 0 "[ . 1 . 2]" 1
568 1 8 PRO HB3 1 9 PRO HD3 . . 4.350 3.782 3.729 3.899 . 0 0 "[ . 1 . 2]" 1
569 1 11 VAL HA 1 11 VAL MG1 . . 3.440 2.385 2.181 2.464 . 0 0 "[ . 1 . 2]" 1
570 1 46 HIS HA 1 56 VAL HA . . 3.880 2.882 2.537 3.249 . 0 0 "[ . 1 . 2]" 1
571 1 46 HIS HB3 1 56 VAL HA . . 3.250 2.473 2.019 3.212 . 0 0 "[ . 1 . 2]" 1
572 1 46 HIS HB2 1 56 VAL HA . . 3.790 2.598 2.315 3.030 . 0 0 "[ . 1 . 2]" 1
573 1 9 PRO HA 1 91 PRO QD . . 4.400 4.011 3.661 4.392 . 0 0 "[ . 1 . 2]" 1
574 1 32 ARG H 1 32 ARG HB2 . . 3.890 3.041 2.280 3.807 . 0 0 "[ . 1 . 2]" 1
575 1 9 PRO HA 1 10 ALA MB . . 4.120 3.999 3.960 4.070 . 0 0 "[ . 1 . 2]" 1
576 1 14 ILE HA 1 15 ARG H . . 2.990 2.188 2.140 2.293 . 0 0 "[ . 1 . 2]" 1
577 1 14 ILE HA 1 28 TRP HB2 . . 4.220 4.125 3.473 4.232 0.012 12 0 "[ . 1 . 2]" 1
578 1 14 ILE HA 1 28 TRP HB3 . . 4.220 2.946 2.348 3.205 . 0 0 "[ . 1 . 2]" 1
579 1 14 ILE HA 1 14 ILE HG12 . . 3.990 2.724 2.580 2.864 . 0 0 "[ . 1 . 2]" 1
580 1 14 ILE HA 1 14 ILE HG13 . . 3.990 2.825 2.633 2.995 . 0 0 "[ . 1 . 2]" 1
581 1 72 LYS QD 1 75 ALA MB . . 4.080 3.396 2.476 3.986 . 0 0 "[ . 1 . 2]" 1
582 1 48 LYS QD 1 76 SER QB . . 3.760 2.671 1.865 3.768 0.008 12 0 "[ . 1 . 2]" 1
583 1 48 LYS QD 1 78 LEU MD1 . . 4.300 3.017 1.795 4.175 . 0 0 "[ . 1 . 2]" 1
584 1 100 THR HA 1 100 THR MG . . 3.320 2.427 2.168 3.193 . 0 0 "[ . 1 . 2]" 1
585 1 44 LYS HD3 1 58 PHE QE . . 4.940 3.686 2.586 4.898 . 0 0 "[ . 1 . 2]" 1
586 1 44 LYS HD2 1 92 PHE QE . . 4.950 4.086 2.566 4.916 . 0 0 "[ . 1 . 2]" 1
587 1 14 ILE HG13 1 14 ILE MG . . 3.710 3.171 3.137 3.195 . 0 0 "[ . 1 . 2]" 1
588 1 14 ILE HG13 1 81 VAL MG2 . . 6.500 4.974 4.550 5.403 . 0 0 "[ . 1 . 2]" 1
589 1 28 TRP HD1 1 30 VAL HA . . 4.400 4.130 3.961 4.401 0.001 14 0 "[ . 1 . 2]" 1
590 1 30 VAL HA 1 31 PRO HD2 . . 3.240 1.924 1.913 1.999 . 0 0 "[ . 1 . 2]" 1
591 1 23 SER HB3 1 69 ARG QG . . 4.260 3.071 2.381 3.870 . 0 0 "[ . 1 . 2]" 1
592 1 92 PHE HA 1 92 PHE QD . . 3.610 2.537 2.352 2.913 . 0 0 "[ . 1 . 2]" 1
593 1 82 ARG HB2 1 92 PHE HA . . 4.230 3.232 2.655 3.943 . 0 0 "[ . 1 . 2]" 1
594 1 82 ARG HB3 1 92 PHE HA . . 3.690 2.531 2.000 3.152 . 0 0 "[ . 1 . 2]" 1
595 1 8 PRO HG2 1 83 ALA MB . . 3.700 2.266 1.978 2.722 . 0 0 "[ . 1 . 2]" 1
596 1 78 LEU HA 1 78 LEU HG . . 4.260 3.121 2.334 3.793 . 0 0 "[ . 1 . 2]" 1
597 1 86 GLU HA 1 86 GLU QG . . 3.590 2.406 2.189 3.420 . 0 0 "[ . 1 . 2]" 1
598 1 39 LEU MD1 1 86 GLU HA . . 3.380 2.460 1.990 3.018 . 0 0 "[ . 1 . 2]" 1
599 1 59 LEU HA 1 59 LEU HG . . 4.220 3.070 3.026 3.159 . 0 0 "[ . 1 . 2]" 1
600 1 31 PRO HG3 1 41 TYR QE . . 4.870 3.531 2.532 4.037 . 0 0 "[ . 1 . 2]" 1
601 1 31 PRO HG2 1 38 VAL MG2 . . 3.930 2.362 1.925 2.638 . 0 0 "[ . 1 . 2]" 1
602 1 32 ARG HA 1 32 ARG HG2 . . 4.220 3.282 2.270 3.875 . 0 0 "[ . 1 . 2]" 1
603 1 39 LEU H 1 39 LEU HG . . 4.050 2.492 2.179 2.820 . 0 0 "[ . 1 . 2]" 1
604 1 32 ARG HA 1 32 ARG HG3 . . 4.220 3.305 2.276 4.236 0.016 11 0 "[ . 1 . 2]" 1
605 1 57 ARG HG2 1 58 PHE H . . 4.850 4.129 3.486 4.598 . 0 0 "[ . 1 . 2]" 1
606 1 31 PRO HG3 1 83 ALA MB . . 3.890 3.155 2.674 3.465 . 0 0 "[ . 1 . 2]" 1
607 1 31 PRO HG2 1 41 TYR QE . . 4.580 3.856 3.256 4.294 . 0 0 "[ . 1 . 2]" 1
608 1 57 ARG HG3 1 58 PHE H . . 4.850 4.484 3.480 4.853 0.003 12 0 "[ . 1 . 2]" 1
609 1 57 ARG H 1 57 ARG HG3 . . 4.450 3.734 2.945 4.279 . 0 0 "[ . 1 . 2]" 1
610 1 57 ARG HA 1 57 ARG HG3 . . 3.790 3.208 2.288 3.720 . 0 0 "[ . 1 . 2]" 1
611 1 26 LEU MD1 1 28 TRP HZ3 . . 4.080 3.437 3.301 3.590 . 0 0 "[ . 1 . 2]" 1
612 1 26 LEU MD1 1 68 LEU MD2 . . 4.050 3.030 2.135 3.340 . 0 0 "[ . 1 . 2]" 1
613 1 59 LEU MD2 1 68 LEU HA . . 4.540 4.009 3.379 4.307 . 0 0 "[ . 1 . 2]" 1
614 1 43 VAL HB 1 59 LEU MD2 . . 4.420 2.337 2.017 2.892 . 0 0 "[ . 1 . 2]" 1
615 1 59 LEU MD2 1 68 LEU MD2 . . 3.250 2.055 1.852 2.439 . 0 0 "[ . 1 . 2]" 1
616 1 48 LYS HA 1 48 LYS QG . . 3.320 2.436 2.159 2.830 . 0 0 "[ . 1 . 2]" 1
617 1 24 LEU HG 1 100 THR MG . . 4.130 3.356 2.133 3.853 . 0 0 "[ . 1 . 2]" 1
618 1 71 LEU H 1 71 LEU MD1 . . 4.240 3.958 3.665 4.239 . 0 0 "[ . 1 . 2]" 1
619 1 71 LEU MD1 1 77 TYR QD . . 5.440 4.349 4.053 4.672 . 0 0 "[ . 1 . 2]" 1
620 1 68 LEU HB2 1 71 LEU MD1 . . 3.970 2.141 1.968 2.783 . 0 0 "[ . 1 . 2]" 1
621 1 71 LEU HB3 1 71 LEU MD1 . . 3.410 2.552 2.430 2.685 . 0 0 "[ . 1 . 2]" 1
622 1 68 LEU HB3 1 71 LEU MD1 . . 3.870 2.437 1.991 3.428 . 0 0 "[ . 1 . 2]" 1
623 1 24 LEU MD1 1 100 THR MG . . 3.890 2.329 1.961 2.837 . 0 0 "[ . 1 . 2]" 1
624 1 24 LEU MD1 1 98 SER HB3 . . 5.130 2.728 1.890 4.635 . 0 0 "[ . 1 . 2]" 1
625 1 42 GLU QG 1 60 LYS HG3 . . 4.560 3.034 1.993 3.981 . 0 0 "[ . 1 . 2]" 1
626 1 42 GLU QG 1 60 LYS HG2 . . 4.560 3.579 2.227 4.453 . 0 0 "[ . 1 . 2]" 1
627 1 26 LEU MD2 1 28 TRP HZ3 . . 4.610 4.046 3.853 4.297 . 0 0 "[ . 1 . 2]" 1
628 1 26 LEU H 1 26 LEU MD2 . . 4.490 3.959 3.523 4.250 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU MD2 1 79 VAL HB . . 4.770 3.383 2.838 4.676 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU HB3 1 26 LEU MD2 . . 3.520 2.181 2.017 2.333 . 0 0 "[ . 1 . 2]" 1
631 1 39 LEU MD1 1 85 SER HA . . 4.240 2.767 2.237 3.473 . 0 0 "[ . 1 . 2]" 1
632 1 39 LEU MD1 1 86 GLU QB . . 4.050 3.756 2.435 4.050 . 0 0 "[ . 1 . 2]" 1
633 1 39 LEU QB 1 39 LEU MD1 . . 3.000 2.061 1.963 2.101 . 0 0 "[ . 1 . 2]" 1
634 1 48 LYS H 1 48 LYS QG . . 4.200 3.960 3.729 4.099 . 0 0 "[ . 1 . 2]" 1
635 1 48 LYS QG 1 76 SER QB . . 4.660 3.418 2.791 4.328 . 0 0 "[ . 1 . 2]" 1
636 1 59 LEU MD1 1 60 LYS H . . 3.570 3.160 2.652 3.464 . 0 0 "[ . 1 . 2]" 1
637 1 59 LEU HA 1 59 LEU MD1 . . 3.280 2.531 2.354 2.673 . 0 0 "[ . 1 . 2]" 1
638 1 43 VAL HB 1 59 LEU MD1 . . 4.540 4.469 4.307 4.540 . 9 0 "[ . 1 . 2]" 1
639 1 95 GLU HA 1 96 HIS H . . 3.460 2.243 2.141 2.461 . 0 0 "[ . 1 . 2]" 1
640 1 80 GLN HG2 1 95 GLU HA . . 4.210 2.853 2.024 4.042 . 0 0 "[ . 1 . 2]" 1
641 1 95 GLU HA 1 95 GLU HG3 . . 4.100 3.642 2.465 4.172 0.072 19 0 "[ . 1 . 2]" 1
642 1 73 ARG HA 1 74 GLY H . . 3.550 2.521 2.144 3.368 . 0 0 "[ . 1 . 2]" 1
643 1 45 TYR QD 1 68 LEU MD1 . . 3.980 3.239 2.854 3.756 . 0 0 "[ . 1 . 2]" 1
644 1 45 TYR HB3 1 68 LEU MD1 . . 4.410 3.130 2.491 3.740 . 0 0 "[ . 1 . 2]" 1
645 1 68 LEU HB2 1 68 LEU MD1 . . 3.450 2.243 2.026 2.428 . 0 0 "[ . 1 . 2]" 1
646 1 26 LEU MD1 1 68 LEU MD1 . . 3.000 2.031 1.808 2.764 . 0 0 "[ . 1 . 2]" 1
647 1 72 LYS HA 1 73 ARG H . . 3.160 2.274 2.141 3.089 . 0 0 "[ . 1 . 2]" 1
648 1 72 LYS HA 1 72 LYS HG2 . . 4.070 2.593 2.355 3.572 . 0 0 "[ . 1 . 2]" 1
649 1 72 LYS HA 1 72 LYS HG3 . . 4.070 3.244 2.424 3.825 . 0 0 "[ . 1 . 2]" 1
650 1 47 GLU HA 1 77 TYR QD . . 4.480 3.159 2.663 3.781 . 0 0 "[ . 1 . 2]" 1
651 1 47 GLU HA 1 77 TYR QE . . 5.020 3.496 2.790 4.127 . 0 0 "[ . 1 . 2]" 1
652 1 78 LEU MD2 1 97 HIS HD2 . . 4.760 2.893 2.077 4.750 . 0 0 "[ . 1 . 2]" 1
653 1 78 LEU HA 1 78 LEU MD2 . . 4.240 2.486 2.003 3.673 . 0 0 "[ . 1 . 2]" 1
654 1 48 LYS QD 1 78 LEU MD2 . . 4.300 2.897 1.850 4.102 . 0 0 "[ . 1 . 2]" 1
655 1 24 LEU HA 1 24 LEU MD2 . . 4.720 2.235 2.043 3.534 . 0 0 "[ . 1 . 2]" 1
656 1 24 LEU MD2 1 98 SER HB2 . . 5.130 3.580 1.904 4.813 . 0 0 "[ . 1 . 2]" 1
657 1 24 LEU MD2 1 98 SER HB3 . . 5.130 3.216 1.976 4.429 . 0 0 "[ . 1 . 2]" 1
658 1 24 LEU MD2 1 100 THR MG . . 3.890 2.027 1.736 2.300 . 0 0 "[ . 1 . 2]" 1
659 1 38 VAL MG2 1 83 ALA MB . . 3.290 2.681 2.049 3.277 . 0 0 "[ . 1 . 2]" 1
660 1 102 LEU HA 1 102 LEU MD2 . . 4.110 2.707 1.996 4.118 0.008 19 0 "[ . 1 . 2]" 1
661 1 41 TYR HD2 1 83 ALA MB . . 4.460 2.829 2.534 3.241 . 0 0 "[ . 1 . 2]" 1
662 1 11 VAL H 1 83 ALA MB . . 4.290 3.710 2.968 4.220 . 0 0 "[ . 1 . 2]" 1
663 1 41 TYR QE 1 83 ALA MB . . 3.430 2.646 2.095 3.029 . 0 0 "[ . 1 . 2]" 1
664 1 8 PRO HB3 1 83 ALA MB . . 3.760 3.509 3.237 3.743 . 0 0 "[ . 1 . 2]" 1
665 1 31 PRO HG2 1 83 ALA MB . . 3.610 3.486 3.312 3.607 . 0 0 "[ . 1 . 2]" 1
666 1 8 PRO HB2 1 83 ALA MB . . 3.760 2.505 2.165 2.904 . 0 0 "[ . 1 . 2]" 1
667 1 8 PRO HG3 1 83 ALA MB . . 3.700 2.684 2.326 3.037 . 0 0 "[ . 1 . 2]" 1
668 1 11 VAL MG2 1 83 ALA MB . . 4.310 2.207 1.918 2.523 . 0 0 "[ . 1 . 2]" 1
669 1 38 VAL MG1 1 83 ALA MB . . 3.250 2.051 1.835 2.404 . 0 0 "[ . 1 . 2]" 1
670 1 26 LEU H 1 66 ALA MB . . 4.390 3.927 3.433 4.310 . 0 0 "[ . 1 . 2]" 1
671 1 28 TRP HH2 1 66 ALA MB . . 3.070 2.326 2.023 2.751 . 0 0 "[ . 1 . 2]" 1
672 1 26 LEU MD1 1 66 ALA MB . . 3.340 3.095 2.733 3.340 . 18 0 "[ . 1 . 2]" 1
673 1 77 TYR QD 1 100 THR MG . . 3.860 3.699 3.399 3.861 0.001 7 0 "[ . 1 . 2]" 1
674 1 27 ALA H 1 27 ALA MB . . 3.600 2.780 2.687 2.873 . 0 0 "[ . 1 . 2]" 1
675 1 27 ALA MB 1 65 ARG HB3 . . 3.550 2.476 1.989 2.821 . 0 0 "[ . 1 . 2]" 1
676 1 84 ARG HA 1 85 SER H . . 3.200 2.209 2.145 2.438 . 0 0 "[ . 1 . 2]" 1
677 1 15 ARG H 1 27 ALA MB . . 4.900 4.447 4.013 4.902 0.002 11 0 "[ . 1 . 2]" 1
678 1 37 ALA HA 1 38 VAL MG2 . . 4.290 3.612 3.368 3.810 . 0 0 "[ . 1 . 2]" 1
679 1 31 PRO HD2 1 38 VAL MG2 . . 3.710 3.149 2.819 3.492 . 0 0 "[ . 1 . 2]" 1
680 1 38 VAL HA 1 38 VAL MG2 . . 3.380 2.367 2.257 2.456 . 0 0 "[ . 1 . 2]" 1
681 1 8 PRO HB3 1 38 VAL MG2 . . 4.300 2.924 1.971 3.437 . 0 0 "[ . 1 . 2]" 1
682 1 31 PRO HG3 1 38 VAL MG2 . . 4.440 3.556 2.493 3.974 . 0 0 "[ . 1 . 2]" 1
683 1 8 PRO HG3 1 38 VAL MG2 . . 4.940 3.490 2.490 4.204 . 0 0 "[ . 1 . 2]" 1
684 1 56 VAL HA 1 56 VAL MG1 . . 3.270 2.981 2.248 3.203 . 0 0 "[ . 1 . 2]" 1
685 1 46 HIS HB3 1 56 VAL MG1 . . 4.210 3.519 1.939 4.104 . 0 0 "[ . 1 . 2]" 1
686 1 44 LYS HE3 1 56 VAL MG1 . . 4.730 3.896 2.367 4.731 0.001 8 0 "[ . 1 . 2]" 1
687 1 44 LYS HE2 1 56 VAL MG1 . . 4.730 3.856 1.994 4.726 . 0 0 "[ . 1 . 2]" 1
688 1 45 TYR QD 1 68 LEU MD2 . . 3.970 3.147 2.522 3.778 . 0 0 "[ . 1 . 2]" 1
689 1 68 LEU HA 1 68 LEU MD2 . . 3.070 2.135 1.987 2.511 . 0 0 "[ . 1 . 2]" 1
690 1 59 LEU QB 1 68 LEU MD2 . . 3.860 3.079 2.861 3.551 . 0 0 "[ . 1 . 2]" 1
691 1 66 ALA MB 1 68 LEU MD2 . . 3.530 3.213 2.676 3.518 . 0 0 "[ . 1 . 2]" 1
692 1 43 VAL MG1 1 68 LEU MD2 . . 3.220 2.514 1.948 3.140 . 0 0 "[ . 1 . 2]" 1
693 1 68 LEU HB3 1 68 LEU MD2 . . 3.510 2.306 2.110 2.444 . 0 0 "[ . 1 . 2]" 1
694 1 28 TRP HZ3 1 65 ARG HA . . 4.300 3.109 2.668 3.563 . 0 0 "[ . 1 . 2]" 1
695 1 27 ALA MB 1 65 ARG HA . . 3.970 3.159 2.608 3.665 . 0 0 "[ . 1 . 2]" 1
696 1 27 ALA HA 1 65 ARG HA . . 3.020 2.339 2.055 2.551 . 0 0 "[ . 1 . 2]" 1
697 1 8 PRO HA 1 38 VAL MG2 . . 5.500 4.701 3.911 5.245 . 0 0 "[ . 1 . 2]" 1
698 1 33 ALA HA 1 38 VAL MG2 . . 5.500 4.616 3.472 5.391 . 0 0 "[ . 1 . 2]" 1
699 1 31 PRO HD3 1 38 VAL MG2 . . 4.830 4.397 4.040 4.674 . 0 0 "[ . 1 . 2]" 1
700 1 8 PRO HB2 1 38 VAL MG2 . . 4.300 3.253 2.340 3.737 . 0 0 "[ . 1 . 2]" 1
701 1 13 ASP HA 1 14 ILE H . . 3.550 2.631 2.614 2.670 . 0 0 "[ . 1 . 2]" 1
702 1 17 THR MG 1 27 ALA H . . 5.170 4.687 3.083 5.169 . 0 0 "[ . 1 . 2]" 1
703 1 17 THR HA 1 17 THR MG . . 3.500 3.094 2.339 3.207 . 0 0 "[ . 1 . 2]" 1
704 1 11 VAL HA 1 11 VAL MG2 . . 3.440 2.399 2.249 2.506 . 0 0 "[ . 1 . 2]" 1
705 1 11 VAL MG2 1 81 VAL MG2 . . 4.720 4.297 4.081 4.491 . 0 0 "[ . 1 . 2]" 1
706 1 11 VAL MG2 1 81 VAL MG1 . . 4.720 2.191 1.855 2.723 . 0 0 "[ . 1 . 2]" 1
707 1 38 VAL MG1 1 39 LEU H . . 4.310 2.429 1.898 3.214 . 0 0 "[ . 1 . 2]" 1
708 1 38 VAL MG1 1 41 TYR QE . . 3.930 2.440 2.033 2.619 . 0 0 "[ . 1 . 2]" 1
709 1 38 VAL HA 1 38 VAL MG1 . . 3.560 2.386 2.259 2.472 . 0 0 "[ . 1 . 2]" 1
710 1 39 LEU H 1 39 LEU MD2 . . 4.580 3.671 3.442 3.913 . 0 0 "[ . 1 . 2]" 1
711 1 39 LEU MD2 1 85 SER HA . . 4.410 4.139 3.828 4.411 0.001 5 0 "[ . 1 . 2]" 1
712 1 39 LEU HA 1 39 LEU MD2 . . 3.070 2.176 1.995 2.514 . 0 0 "[ . 1 . 2]" 1
713 1 39 LEU QB 1 39 LEU MD2 . . 3.080 2.229 2.045 2.302 . 0 0 "[ . 1 . 2]" 1
714 1 11 VAL MG1 1 28 TRP HD1 . . 4.970 2.481 1.951 2.970 . 0 0 "[ . 1 . 2]" 1
715 1 11 VAL MG1 1 83 ALA MB . . 4.310 4.084 3.658 4.309 . 0 0 "[ . 1 . 2]" 1
716 1 11 VAL MG1 1 81 VAL HB . . 4.270 2.581 1.983 3.172 . 0 0 "[ . 1 . 2]" 1
717 1 11 VAL MG1 1 81 VAL MG2 . . 4.720 3.641 3.152 4.071 . 0 0 "[ . 1 . 2]" 1
718 1 11 VAL MG1 1 81 VAL MG1 . . 4.720 2.397 1.835 2.904 . 0 0 "[ . 1 . 2]" 1
719 1 16 VAL H 1 16 VAL MG1 . . 3.950 3.345 1.867 3.884 . 0 0 "[ . 1 . 2]" 1
720 1 16 VAL MG1 1 98 SER HB3 . . 5.360 4.364 3.251 5.310 . 0 0 "[ . 1 . 2]" 1
721 1 42 GLU H 1 43 VAL MG2 . . 4.620 4.110 3.854 4.363 . 0 0 "[ . 1 . 2]" 1
722 1 43 VAL H 1 43 VAL MG2 . . 3.250 2.658 2.445 2.894 . 0 0 "[ . 1 . 2]" 1
723 1 28 TRP HZ2 1 43 VAL MG2 . . 4.060 3.575 3.162 4.004 . 0 0 "[ . 1 . 2]" 1
724 1 43 VAL MG1 1 45 TYR QD . . 3.310 2.440 1.899 2.836 . 0 0 "[ . 1 . 2]" 1
725 1 28 TRP HH2 1 43 VAL MG2 . . 3.230 2.834 2.595 3.184 . 0 0 "[ . 1 . 2]" 1
726 1 43 VAL MG1 1 45 TYR QE . . 4.040 3.604 2.650 4.028 . 0 0 "[ . 1 . 2]" 1
727 1 43 VAL MG1 1 45 TYR HA . . 5.390 4.564 4.386 4.878 . 0 0 "[ . 1 . 2]" 1
728 1 43 VAL MG1 1 58 PHE HA . . 5.500 4.855 4.224 5.250 . 0 0 "[ . 1 . 2]" 1
729 1 42 GLU HA 1 43 VAL MG2 . . 4.080 3.724 3.496 3.999 . 0 0 "[ . 1 . 2]" 1
730 1 43 VAL MG1 1 81 VAL HA . . 4.360 3.978 3.707 4.300 . 0 0 "[ . 1 . 2]" 1
731 1 43 VAL MG2 1 81 VAL HA . . 4.510 3.336 2.863 3.762 . 0 0 "[ . 1 . 2]" 1
732 1 43 VAL HA 1 43 VAL MG1 . . 3.170 2.381 2.295 2.479 . 0 0 "[ . 1 . 2]" 1
733 1 43 VAL HA 1 43 VAL MG2 . . 3.390 2.340 2.181 2.447 . 0 0 "[ . 1 . 2]" 1
734 1 43 VAL MG1 1 45 TYR HB3 . . 3.970 3.254 3.047 3.449 . 0 0 "[ . 1 . 2]" 1
735 1 43 VAL MG2 1 81 VAL MG2 . . 3.440 2.278 1.958 2.823 . 0 0 "[ . 1 . 2]" 1
736 1 43 VAL MG2 1 81 VAL MG1 . . 3.440 2.648 2.259 3.205 . 0 0 "[ . 1 . 2]" 1
737 1 57 ARG HA 1 57 ARG QD . . 3.900 2.970 1.987 3.968 0.068 20 0 "[ . 1 . 2]" 1
738 1 57 ARG HA 1 57 ARG HG2 . . 3.790 2.685 2.157 3.647 . 0 0 "[ . 1 . 2]" 1
739 1 56 VAL HA 1 56 VAL MG2 . . 3.270 2.372 2.281 2.479 . 0 0 "[ . 1 . 2]" 1
740 1 46 HIS HB3 1 56 VAL MG2 . . 4.210 2.115 1.908 2.334 . 0 0 "[ . 1 . 2]" 1
741 1 46 HIS HB2 1 56 VAL MG2 . . 4.490 3.064 1.992 3.722 . 0 0 "[ . 1 . 2]" 1
742 1 57 ARG HA 1 58 PHE QD . . 4.000 3.154 2.886 3.499 . 0 0 "[ . 1 . 2]" 1
743 1 75 ALA MB 1 76 SER H . . 3.620 3.011 2.274 3.582 . 0 0 "[ . 1 . 2]" 1
744 1 75 ALA MB 1 77 TYR QE . . 3.200 2.554 1.954 3.191 . 0 0 "[ . 1 . 2]" 1
745 1 79 VAL HA 1 79 VAL MG1 . . 3.530 2.481 2.152 3.199 . 0 0 "[ . 1 . 2]" 1
746 1 45 TYR HB3 1 79 VAL MG1 . . 4.000 2.878 2.105 3.616 . 0 0 "[ . 1 . 2]" 1
747 1 45 TYR HB2 1 79 VAL MG1 . . 4.470 4.064 3.561 4.458 . 0 0 "[ . 1 . 2]" 1
748 1 16 VAL H 1 16 VAL MG2 . . 3.950 2.993 2.339 3.830 . 0 0 "[ . 1 . 2]" 1
749 1 16 VAL MG2 1 98 SER HB2 . . 5.360 4.170 2.380 5.183 . 0 0 "[ . 1 . 2]" 1
750 1 68 LEU HA 1 68 LEU HG . . 4.260 3.182 3.044 3.316 . 0 0 "[ . 1 . 2]" 1
751 1 59 LEU MD1 1 68 LEU HA . . 4.780 4.501 3.751 4.763 . 0 0 "[ . 1 . 2]" 1
752 1 40 ASP HA 1 41 TYR H . . 3.440 2.496 2.287 2.648 . 0 0 "[ . 1 . 2]" 1
753 1 30 VAL HA 1 30 VAL MG1 . . 3.250 2.453 2.278 3.199 . 0 0 "[ . 1 . 2]" 1
754 1 30 VAL MG1 1 31 PRO HD2 . . 4.310 3.026 2.591 4.163 . 0 0 "[ . 1 . 2]" 1
755 1 28 TRP HZ2 1 81 VAL MG2 . . 5.000 4.324 3.824 4.699 . 0 0 "[ . 1 . 2]" 1
756 1 14 ILE MD 1 81 VAL MG2 . . 4.520 2.813 2.301 3.212 . 0 0 "[ . 1 . 2]" 1
757 1 28 TRP HZ2 1 81 VAL MG1 . . 5.000 3.116 2.431 3.538 . 0 0 "[ . 1 . 2]" 1
758 1 14 ILE HG13 1 81 VAL MG1 . . 6.500 5.226 4.896 5.602 . 0 0 "[ . 1 . 2]" 1
759 1 79 VAL MG2 1 80 GLN H . . 4.290 3.732 2.117 4.132 . 0 0 "[ . 1 . 2]" 1
760 1 45 TYR HA 1 79 VAL MG2 . . 4.410 3.380 2.724 4.094 . 0 0 "[ . 1 . 2]" 1
761 1 79 VAL HA 1 79 VAL MG2 . . 3.530 2.381 2.283 2.546 . 0 0 "[ . 1 . 2]" 1
762 1 45 TYR HB3 1 79 VAL MG2 . . 4.000 2.353 1.927 2.910 . 0 0 "[ . 1 . 2]" 1
763 1 45 TYR HB2 1 79 VAL MG2 . . 4.470 2.812 2.009 3.523 . 0 0 "[ . 1 . 2]" 1
764 1 28 TRP HZ2 1 64 ASN HA . . 3.710 2.763 2.203 3.084 . 0 0 "[ . 1 . 2]" 1
765 1 37 ALA MB 1 38 VAL HB . . 4.450 4.289 4.142 4.451 0.001 8 0 "[ . 1 . 2]" 1
766 1 37 ALA MB 1 38 VAL MG2 . . 4.280 4.046 3.820 4.270 . 0 0 "[ . 1 . 2]" 1
767 1 10 ALA HA 1 11 VAL H . . 3.290 2.150 2.141 2.192 . 0 0 "[ . 1 . 2]" 1
768 1 10 ALA HA 1 91 PRO QD . . 4.420 3.990 3.543 4.265 . 0 0 "[ . 1 . 2]" 1
769 1 10 ALA HA 1 91 PRO HG2 . . 4.050 3.511 2.791 4.052 0.002 20 0 "[ . 1 . 2]" 1
770 1 10 ALA HA 1 11 VAL HB . . 4.910 4.715 4.599 4.912 0.002 8 0 "[ . 1 . 2]" 1
771 1 30 VAL MG2 1 31 PRO HD2 . . 4.310 3.673 2.231 3.933 . 0 0 "[ . 1 . 2]" 1
772 1 37 ALA HA 1 38 VAL H . . 2.810 2.340 2.178 2.562 . 0 0 "[ . 1 . 2]" 1
773 1 28 TRP HZ2 1 61 THR MG . . 3.400 2.692 2.400 2.957 . 0 0 "[ . 1 . 2]" 1
774 1 28 TRP HH2 1 61 THR MG . . 3.220 3.081 2.867 3.219 . 0 0 "[ . 1 . 2]" 1
775 1 60 LYS HA 1 61 THR MG . . 4.100 3.601 3.263 3.972 . 0 0 "[ . 1 . 2]" 1
776 1 41 TYR HB2 1 61 THR MG . . 3.990 2.476 2.120 2.781 . 0 0 "[ . 1 . 2]" 1
777 1 41 TYR HB3 1 61 THR MG . . 3.990 3.790 3.482 3.991 0.001 20 0 "[ . 1 . 2]" 1
778 1 59 LEU MD1 1 61 THR MG . . 4.640 4.332 3.968 4.605 . 0 0 "[ . 1 . 2]" 1
779 1 59 LEU MD2 1 61 THR MG . . 3.540 3.058 2.606 3.491 . 0 0 "[ . 1 . 2]" 1
780 1 43 VAL MG2 1 61 THR MG . . 3.330 2.669 2.230 3.225 . 0 0 "[ . 1 . 2]" 1
781 1 71 LEU MD2 1 77 TYR QD . . 5.440 3.654 2.853 4.179 . 0 0 "[ . 1 . 2]" 1
782 1 68 LEU HB2 1 71 LEU MD2 . . 3.970 3.731 3.310 3.946 . 0 0 "[ . 1 . 2]" 1
783 1 71 LEU HB3 1 71 LEU MD2 . . 3.410 2.147 2.014 2.279 . 0 0 "[ . 1 . 2]" 1
784 1 68 LEU HB3 1 71 LEU MD2 . . 3.870 3.009 2.697 3.458 . 0 0 "[ . 1 . 2]" 1
785 1 29 ALA MB 1 30 VAL H . . 3.320 3.268 3.036 3.335 0.015 17 0 "[ . 1 . 2]" 1
786 1 29 ALA MB 1 30 VAL HB . . 5.140 4.686 4.481 5.158 0.018 18 0 "[ . 1 . 2]" 1
787 1 61 THR MG 1 66 ALA HA . . 4.540 4.036 3.699 4.362 . 0 0 "[ . 1 . 2]" 1
788 1 27 ALA HA 1 65 ARG HB3 . . 4.050 3.170 2.444 3.606 . 0 0 "[ . 1 . 2]" 1
789 1 47 GLU H 1 50 ALA MB . . 4.290 3.568 3.110 4.061 . 0 0 "[ . 1 . 2]" 1
790 1 50 ALA MB 1 55 SER QB . . 3.330 2.247 1.789 3.270 . 0 0 "[ . 1 . 2]" 1
791 1 7 GLY HA3 1 87 ALA MB . . 4.100 3.764 3.291 4.100 0.000 10 0 "[ . 1 . 2]" 1
792 1 27 ALA HA 1 28 TRP HE3 . . 4.300 2.647 2.561 2.685 . 0 0 "[ . 1 . 2]" 1
793 1 27 ALA HA 1 65 ARG HB2 . . 4.470 3.819 3.153 4.355 . 0 0 "[ . 1 . 2]" 1
794 1 10 ALA MB 1 91 PRO HG3 . . 4.520 3.877 3.162 4.292 . 0 0 "[ . 1 . 2]" 1
795 1 29 ALA HA 1 64 ASN HD22 . . 4.580 4.134 2.998 4.580 . 8 0 "[ . 1 . 2]" 1
796 1 10 ALA MB 1 11 VAL H . . 3.890 3.205 2.927 3.343 . 0 0 "[ . 1 . 2]" 1
797 1 10 ALA MB 1 92 PHE HA . . 4.750 3.841 3.162 4.631 . 0 0 "[ . 1 . 2]" 1
798 1 10 ALA MB 1 93 GLY HA2 . . 3.580 2.068 1.861 2.413 . 0 0 "[ . 1 . 2]" 1
799 1 10 ALA MB 1 93 GLY HA3 . . 3.580 2.884 2.158 3.465 . 0 0 "[ . 1 . 2]" 1
800 1 10 ALA MB 1 91 PRO QD . . 4.390 3.898 3.433 4.325 . 0 0 "[ . 1 . 2]" 1
801 1 10 ALA MB 1 91 PRO HG2 . . 3.560 2.499 1.921 2.890 . 0 0 "[ . 1 . 2]" 1
802 1 75 ALA HA 1 76 SER H . . 3.110 2.232 2.141 2.595 . 0 0 "[ . 1 . 2]" 1
803 1 31 PRO HD3 1 41 TYR QE . . 4.110 3.711 2.627 4.112 0.002 20 0 "[ . 1 . 2]" 1
804 1 31 PRO HD2 1 41 TYR QE . . 3.900 3.188 2.772 3.488 . 0 0 "[ . 1 . 2]" 1
805 1 33 ALA MB 1 34 PRO QD . . 3.230 2.268 1.931 2.607 . 0 0 "[ . 1 . 2]" 1
806 1 33 ALA MB 1 38 VAL MG2 . . 3.290 2.562 1.888 3.281 . 0 0 "[ . 1 . 2]" 1
807 1 20 SER HB3 1 21 PRO HD3 . . 3.530 3.484 3.389 3.528 . 0 0 "[ . 1 . 2]" 1
808 1 20 SER HA 1 21 PRO HD2 . . 3.700 2.450 2.367 2.522 . 0 0 "[ . 1 . 2]" 1
809 1 20 SER HB3 1 21 PRO HD2 . . 3.530 2.046 1.996 2.087 . 0 0 "[ . 1 . 2]" 1
810 1 8 PRO HB3 1 9 PRO HD2 . . 3.840 2.733 2.688 2.834 . 0 0 "[ . 1 . 2]" 1
811 1 9 PRO HD2 1 31 PRO HB2 . . 3.850 3.492 3.095 3.850 . 0 0 "[ . 1 . 2]" 1
812 1 8 PRO HB2 1 9 PRO HD3 . . 4.350 3.529 3.450 3.699 . 0 0 "[ . 1 . 2]" 1
813 1 9 PRO HD3 1 31 PRO HB2 . . 4.600 4.553 4.206 4.603 0.003 14 0 "[ . 1 . 2]" 1
814 1 52 GLY HA2 1 53 PRO HD2 . . 3.610 2.594 2.279 3.268 . 0 0 "[ . 1 . 2]" 1
815 1 52 GLY HA3 1 53 PRO HD3 . . 3.610 3.314 2.648 3.610 0.000 10 0 "[ . 1 . 2]" 1
816 1 8 PRO HA 1 9 PRO HD2 . . 3.260 2.527 2.435 2.569 . 0 0 "[ . 1 . 2]" 1
817 1 8 PRO HB2 1 9 PRO HD2 . . 3.840 2.094 2.000 2.298 . 0 0 "[ . 1 . 2]" 1
818 1 14 ILE MG 1 15 ARG H . . 3.620 3.152 2.706 3.518 . 0 0 "[ . 1 . 2]" 1
819 1 14 ILE MG 1 28 TRP HE3 . . 3.870 2.701 2.250 3.031 . 0 0 "[ . 1 . 2]" 1
820 1 14 ILE MG 1 15 ARG HA . . 4.340 3.863 3.548 4.136 . 0 0 "[ . 1 . 2]" 1
821 1 14 ILE HA 1 14 ILE MG . . 3.370 2.394 2.208 2.477 . 0 0 "[ . 1 . 2]" 1
822 1 14 ILE MG 1 28 TRP HB2 . . 4.720 4.540 4.182 4.723 0.003 1 0 "[ . 1 . 2]" 1
823 1 14 ILE MG 1 28 TRP HB3 . . 4.720 3.007 2.616 3.220 . 0 0 "[ . 1 . 2]" 1
824 1 14 ILE MG 1 26 LEU HB3 . . 3.980 3.351 2.921 3.696 . 0 0 "[ . 1 . 2]" 1
825 1 10 ALA H 1 91 PRO QD . . 4.490 3.894 3.333 4.263 . 0 0 "[ . 1 . 2]" 1
826 1 14 ILE HG12 1 14 ILE MG . . 3.710 2.219 2.066 2.320 . 0 0 "[ . 1 . 2]" 1
827 1 59 LEU MD2 1 66 ALA MB . . 3.220 1.858 1.672 2.168 . 0 0 "[ . 1 . 2]" 1
828 1 14 ILE H 1 14 ILE MD . . 4.420 3.446 3.218 3.604 . 0 0 "[ . 1 . 2]" 1
829 1 16 VAL HA 1 16 VAL MG1 . . 3.540 2.586 2.268 3.194 . 0 0 "[ . 1 . 2]" 1
830 1 16 VAL HA 1 16 VAL MG2 . . 3.540 2.352 2.147 2.543 . 0 0 "[ . 1 . 2]" 1
831 1 16 VAL HA 1 26 LEU MD2 . . 3.620 3.364 2.945 3.619 . 0 0 "[ . 1 . 2]" 1
832 1 16 VAL MG2 1 98 SER HB3 . . 5.360 4.185 3.191 4.989 . 0 0 "[ . 1 . 2]" 1
833 1 23 SER HA 1 68 LEU HB2 . . 4.910 4.082 3.543 4.502 . 0 0 "[ . 1 . 2]" 1
834 1 23 SER HA 1 69 ARG QG . . 5.280 4.298 3.791 4.929 . 0 0 "[ . 1 . 2]" 1
835 1 26 LEU HB3 1 66 ALA H . . 4.750 4.411 4.175 4.662 . 0 0 "[ . 1 . 2]" 1
836 1 27 ALA MB 1 65 ARG QD . . 4.360 3.770 3.293 4.142 . 0 0 "[ . 1 . 2]" 1
837 1 28 TRP HA 1 28 TRP HE3 . . 4.820 3.396 3.374 3.467 . 0 0 "[ . 1 . 2]" 1
838 1 27 ALA H 1 28 TRP HE3 . . 4.560 2.718 2.539 2.894 . 0 0 "[ . 1 . 2]" 1
839 1 26 LEU HB2 1 28 TRP HE3 . . 4.540 4.207 4.078 4.318 . 0 0 "[ . 1 . 2]" 1
840 1 30 VAL HA 1 41 TYR QE . . 4.500 4.306 3.874 4.504 0.004 20 0 "[ . 1 . 2]" 1
841 1 31 PRO HD2 1 38 VAL MG1 . . 4.520 4.026 3.402 4.436 . 0 0 "[ . 1 . 2]" 1
842 1 32 ARG H 1 32 ARG HG2 . . 4.700 3.233 1.906 4.646 . 0 0 "[ . 1 . 2]" 1
843 1 32 ARG HA 1 32 ARG QD . . 4.650 3.833 2.450 4.484 . 0 0 "[ . 1 . 2]" 1
844 1 36 GLY HA2 1 37 ALA MB . . 4.600 4.067 3.792 4.552 . 0 0 "[ . 1 . 2]" 1
845 1 36 GLY HA3 1 37 ALA MB . . 4.600 4.099 3.807 4.427 . 0 0 "[ . 1 . 2]" 1
846 1 38 VAL HA 1 39 LEU HG . . 4.690 3.753 3.439 4.211 . 0 0 "[ . 1 . 2]" 1
847 1 33 ALA MB 1 38 VAL HA . . 5.020 4.017 3.248 4.875 . 0 0 "[ . 1 . 2]" 1
848 1 37 ALA MB 1 38 VAL HA . . 5.500 4.360 4.037 4.616 . 0 0 "[ . 1 . 2]" 1
849 1 38 VAL HA 1 83 ALA MB . . 5.500 4.329 3.889 4.742 . 0 0 "[ . 1 . 2]" 1
850 1 38 VAL MG2 1 39 LEU H . . 4.590 3.984 3.836 4.221 . 0 0 "[ . 1 . 2]" 1
851 1 38 VAL MG1 1 83 ALA HA . . 4.640 3.251 2.933 3.625 . 0 0 "[ . 1 . 2]" 1
852 1 41 TYR HA 1 41 TYR HD1 . . 4.730 3.851 3.537 4.062 . 0 0 "[ . 1 . 2]" 1
853 1 41 TYR HB3 1 43 VAL MG2 . . 4.990 4.052 3.772 4.429 . 0 0 "[ . 1 . 2]" 1
854 1 41 TYR HB2 1 43 VAL MG2 . . 4.990 3.967 3.626 4.335 . 0 0 "[ . 1 . 2]" 1
855 1 43 VAL MG2 1 66 ALA MB . . 3.090 2.489 1.980 2.776 . 0 0 "[ . 1 . 2]" 1
856 1 44 LYS HB3 1 58 PHE QE . . 5.390 4.725 3.664 5.144 . 0 0 "[ . 1 . 2]" 1
857 1 44 LYS HB3 1 58 PHE HZ . . 5.500 5.286 4.540 5.491 . 0 0 "[ . 1 . 2]" 1
858 1 44 LYS HG3 1 58 PHE QE . . 5.220 3.139 2.609 4.199 . 0 0 "[ . 1 . 2]" 1
859 1 44 LYS HG3 1 58 PHE HZ . . 5.500 3.635 2.984 4.696 . 0 0 "[ . 1 . 2]" 1
860 1 44 LYS HE2 1 58 PHE QE . . 5.500 3.934 2.200 4.885 . 0 0 "[ . 1 . 2]" 1
861 1 44 LYS HE2 1 58 PHE HZ . . 5.500 3.556 2.106 4.956 . 0 0 "[ . 1 . 2]" 1
862 1 44 LYS HE3 1 92 PHE HZ . . 5.500 4.547 2.894 5.498 . 0 0 "[ . 1 . 2]" 1
863 1 44 LYS HE2 1 92 PHE HZ . . 5.500 4.586 3.299 5.492 . 0 0 "[ . 1 . 2]" 1
864 1 45 TYR HA 1 77 TYR QD . . 5.140 4.961 4.508 5.142 0.002 8 0 "[ . 1 . 2]" 1
865 1 48 LYS HB3 1 49 GLY HA2 . . 5.250 4.552 3.907 5.256 0.006 12 0 "[ . 1 . 2]" 1
866 1 48 LYS QG 1 49 GLY HA2 . . 5.500 4.045 3.358 4.805 . 0 0 "[ . 1 . 2]" 1
867 1 48 LYS HB3 1 49 GLY HA3 . . 5.250 4.331 3.859 4.711 . 0 0 "[ . 1 . 2]" 1
868 1 48 LYS QG 1 49 GLY HA3 . . 5.500 4.590 3.918 5.314 . 0 0 "[ . 1 . 2]" 1
869 1 56 VAL HB 1 58 PHE QE . . 5.110 4.496 2.762 5.082 . 0 0 "[ . 1 . 2]" 1
870 1 46 HIS HB2 1 56 VAL MG1 . . 4.490 4.049 3.140 4.486 . 0 0 "[ . 1 . 2]" 1
871 1 45 TYR QE 1 57 ARG HB3 . . 4.540 3.173 2.621 3.751 . 0 0 "[ . 1 . 2]" 1
872 1 58 PHE HA 1 59 LEU QB . . 4.620 3.958 3.885 4.043 . 0 0 "[ . 1 . 2]" 1
873 1 44 LYS HG2 1 58 PHE QE . . 5.220 4.359 3.762 5.113 . 0 0 "[ . 1 . 2]" 1
874 1 44 LYS HD2 1 58 PHE QE . . 4.940 3.057 2.019 4.791 . 0 0 "[ . 1 . 2]" 1
875 1 44 LYS HG2 1 58 PHE HZ . . 5.500 4.805 4.206 5.466 . 0 0 "[ . 1 . 2]" 1
876 1 56 VAL MG2 1 58 PHE HZ . . 5.500 4.284 3.561 5.500 0.000 6 0 "[ . 1 . 2]" 1
877 1 45 TYR QE 1 59 LEU MD1 . . 4.570 4.396 3.860 4.567 . 0 0 "[ . 1 . 2]" 1
878 1 59 LEU MD1 1 66 ALA MB . . 3.750 3.476 3.134 3.717 . 0 0 "[ . 1 . 2]" 1
879 1 60 LYS H 1 60 LYS HG3 . . 4.410 3.097 2.835 3.899 . 0 0 "[ . 1 . 2]" 1
880 1 61 THR HB 1 62 SER H . . 4.720 4.025 3.532 4.299 . 0 0 "[ . 1 . 2]" 1
881 1 61 THR MG 1 65 ARG H . . 4.430 3.554 2.663 4.393 . 0 0 "[ . 1 . 2]" 1
882 1 41 TYR HD2 1 61 THR MG . . 5.500 5.349 4.989 5.499 . 0 0 "[ . 1 . 2]" 1
883 1 40 ASP HB3 1 62 SER HA . . 4.400 2.737 2.146 4.338 . 0 0 "[ . 1 . 2]" 1
884 1 40 ASP HB2 1 62 SER HA . . 4.400 3.759 2.706 4.307 . 0 0 "[ . 1 . 2]" 1
885 1 62 SER HB2 1 63 GLU H . . 4.750 4.287 3.843 4.632 . 0 0 "[ . 1 . 2]" 1
886 1 28 TRP HE3 1 65 ARG HA . . 5.010 4.197 3.893 4.527 . 0 0 "[ . 1 . 2]" 1
887 1 28 TRP HZ2 1 65 ARG HA . . 5.500 4.193 3.674 4.809 . 0 0 "[ . 1 . 2]" 1
888 1 65 ARG HA 1 65 ARG QD . . 4.520 4.324 3.663 4.513 . 0 0 "[ . 1 . 2]" 1
889 1 28 TRP HZ2 1 66 ALA MB . . 4.440 3.992 3.724 4.364 . 0 0 "[ . 1 . 2]" 1
890 1 65 ARG HA 1 66 ALA MB . . 4.550 3.883 3.770 3.970 . 0 0 "[ . 1 . 2]" 1
891 1 43 VAL HB 1 66 ALA MB . . 4.730 4.001 3.467 4.277 . 0 0 "[ . 1 . 2]" 1
892 1 26 LEU HB2 1 66 ALA MB . . 3.550 3.140 2.765 3.482 . 0 0 "[ . 1 . 2]" 1
893 1 67 GLU H 1 67 GLU HG2 . . 4.730 4.520 4.371 4.730 . 0 0 "[ . 1 . 2]" 1
894 1 71 LEU HA 1 77 TYR QE . . 4.700 4.142 3.311 4.682 . 0 0 "[ . 1 . 2]" 1
895 1 71 LEU HB2 1 77 TYR QD . . 5.500 5.411 5.240 5.501 0.001 11 0 "[ . 1 . 2]" 1
896 1 71 LEU HB2 1 77 TYR QE . . 5.500 4.637 4.067 4.946 . 0 0 "[ . 1 . 2]" 1
897 1 22 SER HA 1 71 LEU HB3 . . 5.500 5.087 3.818 5.444 . 0 0 "[ . 1 . 2]" 1
898 1 23 SER HA 1 71 LEU HG . . 4.700 3.651 2.957 4.230 . 0 0 "[ . 1 . 2]" 1
899 1 73 ARG HA 1 73 ARG QD . . 4.550 3.967 3.323 4.553 0.003 12 0 "[ . 1 . 2]" 1
900 1 72 LYS HB2 1 75 ALA MB . . 3.420 2.499 1.934 3.072 . 0 0 "[ . 1 . 2]" 1
901 1 72 LYS HB3 1 75 ALA MB . . 3.420 2.799 2.053 3.416 . 0 0 "[ . 1 . 2]" 1
902 1 77 TYR HA 1 78 LEU H . . 3.240 2.142 2.138 2.150 . 0 0 "[ . 1 . 2]" 1
903 1 48 LYS H 1 77 TYR HA . . 4.010 3.222 2.809 3.736 . 0 0 "[ . 1 . 2]" 1
904 1 77 TYR HA 1 77 TYR QD . . 4.240 2.699 2.458 3.081 . 0 0 "[ . 1 . 2]" 1
905 1 47 GLU HA 1 77 TYR HA . . 3.690 2.907 2.410 3.321 . 0 0 "[ . 1 . 2]" 1
906 1 78 LEU MD1 1 97 HIS HD2 . . 4.760 4.075 2.143 4.762 0.002 20 0 "[ . 1 . 2]" 1
907 1 78 LEU HA 1 78 LEU MD1 . . 4.240 3.257 2.026 3.946 . 0 0 "[ . 1 . 2]" 1
908 1 48 LYS QE 1 78 LEU MD1 . . 4.300 3.033 1.950 4.276 . 0 0 "[ . 1 . 2]" 1
909 1 45 TYR HB2 1 79 VAL HA . . 4.710 3.624 3.331 3.929 . 0 0 "[ . 1 . 2]" 1
910 1 81 VAL HA 1 92 PHE QE . . 4.340 3.368 2.896 4.155 . 0 0 "[ . 1 . 2]" 1
911 1 81 VAL HA 1 92 PHE QD . . 4.410 3.797 3.272 4.336 . 0 0 "[ . 1 . 2]" 1
912 1 81 VAL MG2 1 82 ARG H . . 4.550 3.994 3.838 4.076 . 0 0 "[ . 1 . 2]" 1
913 1 11 VAL HB 1 81 VAL MG2 . . 5.090 4.611 4.397 4.888 . 0 0 "[ . 1 . 2]" 1
914 1 86 GLU HA 1 88 GLY H . . 5.290 4.958 4.542 5.285 . 0 0 "[ . 1 . 2]" 1
915 1 82 ARG HD2 1 89 TYR QD . . 5.000 2.402 1.989 3.274 . 0 0 "[ . 1 . 2]" 1
916 1 82 ARG HE 1 92 PHE HZ . . 4.750 3.169 1.901 4.356 . 0 0 "[ . 1 . 2]" 1
917 1 78 LEU HB3 1 95 GLU HB3 . . 5.240 4.645 3.366 5.240 . 11 0 "[ . 1 . 2]" 1
918 1 78 LEU HB3 1 95 GLU HB2 . . 5.240 4.076 3.260 5.227 . 0 0 "[ . 1 . 2]" 1
919 1 95 GLU H 1 95 GLU HG3 . . 4.170 3.342 1.897 4.089 . 0 0 "[ . 1 . 2]" 1
920 1 97 HIS HA 1 97 HIS HD2 . . 4.700 3.288 2.530 4.493 . 0 0 "[ . 1 . 2]" 1
921 1 101 GLN QG 1 102 LEU H . . 4.620 3.821 1.885 4.619 . 0 0 "[ . 1 . 2]" 1
922 1 47 GLU HG2 1 77 TYR QE . . 5.120 4.705 3.521 5.056 . 0 0 "[ . 1 . 2]" 1
923 1 28 TRP HD1 1 31 PRO HD2 . . 5.100 3.887 3.584 4.422 . 0 0 "[ . 1 . 2]" 1
924 1 80 GLN HB2 1 92 PHE QD . . 4.740 3.600 2.940 4.148 . 0 0 "[ . 1 . 2]" 1
925 1 72 LYS H 1 72 LYS QD . . 5.000 4.208 2.346 4.946 . 0 0 "[ . 1 . 2]" 1
926 1 72 LYS H 1 72 LYS QE . . 5.500 4.886 3.590 5.495 . 0 0 "[ . 1 . 2]" 1
927 1 18 ARG HB2 1 25 SER HB2 . . 5.410 3.690 2.247 5.398 . 0 0 "[ . 1 . 2]" 1
928 1 30 VAL HA 1 31 PRO HD3 . . 3.070 2.486 2.305 2.565 . 0 0 "[ . 1 . 2]" 1
929 1 14 ILE MG 1 28 TRP HA . . 4.770 3.651 3.343 4.147 . 0 0 "[ . 1 . 2]" 1
930 1 41 TYR QE 1 64 ASN HA . . 4.260 3.708 3.234 4.107 . 0 0 "[ . 1 . 2]" 1
931 1 41 TYR HD2 1 83 ALA HA . . 4.640 2.648 2.286 3.161 . 0 0 "[ . 1 . 2]" 1
932 1 41 TYR HD1 1 64 ASN HA . . 5.370 3.937 3.249 4.652 . 0 0 "[ . 1 . 2]" 1
933 1 28 TRP HD1 1 64 ASN HA . . 4.920 3.992 3.677 4.414 . 0 0 "[ . 1 . 2]" 1
934 1 6 SER QB 1 7 GLY H . . 4.770 3.109 2.273 3.991 . 0 0 "[ . 1 . 2]" 1
935 1 14 ILE MD 1 81 VAL MG1 . . 4.520 3.598 3.264 3.804 . 0 0 "[ . 1 . 2]" 1
936 1 82 ARG HD3 1 92 PHE QE . . 5.460 3.806 2.798 4.799 . 0 0 "[ . 1 . 2]" 1
937 1 82 ARG HD3 1 92 PHE HZ . . 5.500 4.024 2.684 5.325 . 0 0 "[ . 1 . 2]" 1
938 1 82 ARG HD3 1 89 TYR QD . . 5.000 3.292 2.059 4.432 . 0 0 "[ . 1 . 2]" 1
939 1 82 ARG HE 1 89 TYR QE . . 4.980 3.880 2.334 4.982 0.002 9 0 "[ . 1 . 2]" 1
940 1 41 TYR HA 1 89 TYR QE . . 5.020 4.455 3.613 5.005 . 0 0 "[ . 1 . 2]" 1
941 1 84 ARG HB2 1 89 TYR QE . . 4.760 3.197 2.253 4.537 . 0 0 "[ . 1 . 2]" 1
942 1 44 LYS HD3 1 92 PHE QE . . 4.950 3.730 3.175 4.949 . 0 0 "[ . 1 . 2]" 1
943 1 44 LYS HD3 1 92 PHE HZ . . 5.290 3.498 2.544 5.226 . 0 0 "[ . 1 . 2]" 1
944 1 45 TYR QE 1 57 ARG HG3 . . 5.140 3.940 2.802 5.109 . 0 0 "[ . 1 . 2]" 1
945 1 45 TYR QE 1 57 ARG HG2 . . 5.140 4.566 3.244 5.153 0.013 12 0 "[ . 1 . 2]" 1
946 1 45 TYR QD 1 59 LEU H . . 5.030 4.621 4.301 4.980 . 0 0 "[ . 1 . 2]" 1
947 1 45 TYR QD 1 79 VAL MG1 . . 4.870 4.064 3.372 4.872 0.002 20 0 "[ . 1 . 2]" 1
948 1 45 TYR QD 1 79 VAL MG2 . . 4.870 3.784 2.725 4.377 . 0 0 "[ . 1 . 2]" 1
949 1 45 TYR QD 1 57 ARG HB2 . . 5.010 3.690 3.344 3.956 . 0 0 "[ . 1 . 2]" 1
950 1 14 ILE MD 1 81 VAL HA . . 4.770 4.590 4.302 4.769 . 0 0 "[ . 1 . 2]" 1
951 1 11 VAL HA 1 14 ILE MD . . 4.670 4.420 4.023 4.673 0.003 11 0 "[ . 1 . 2]" 1
952 1 14 ILE MD 1 96 HIS HB2 . . 4.610 3.418 2.506 4.017 . 0 0 "[ . 1 . 2]" 1
953 1 11 VAL HB 1 14 ILE MD . . 4.240 2.466 1.993 2.767 . 0 0 "[ . 1 . 2]" 1
954 1 18 ARG HB3 1 25 SER HB3 . . 5.410 3.708 2.240 4.889 . 0 0 "[ . 1 . 2]" 1
955 1 18 ARG HB3 1 25 SER HB2 . . 5.410 3.420 2.269 4.408 . 0 0 "[ . 1 . 2]" 1
956 1 82 ARG HA 1 83 ALA MB . . 4.510 3.875 3.782 3.936 . 0 0 "[ . 1 . 2]" 1
957 1 82 ARG HD3 1 89 TYR HB3 . . 4.860 3.855 3.230 4.693 . 0 0 "[ . 1 . 2]" 1
958 1 69 ARG HB2 1 70 GLY QA . . 4.930 4.409 4.183 4.706 . 0 0 "[ . 1 . 2]" 1
959 1 69 ARG HB3 1 70 GLY QA . . 4.930 3.843 3.639 4.022 . 0 0 "[ . 1 . 2]" 1
960 1 70 GLY QA 1 71 LEU HB2 . . 5.500 4.725 4.559 4.891 . 0 0 "[ . 1 . 2]" 1
961 1 70 GLY QA 1 71 LEU HG . . 5.500 3.733 3.542 3.916 . 0 0 "[ . 1 . 2]" 1
962 1 46 HIS HA 1 47 GLU HB2 . . 5.200 4.329 4.269 4.540 . 0 0 "[ . 1 . 2]" 1
963 1 46 HIS HA 1 56 VAL HB . . 5.500 4.664 3.783 5.500 0.000 6 0 "[ . 1 . 2]" 1
964 1 46 HIS HA 1 47 GLU HB3 . . 5.200 5.006 4.657 5.147 . 0 0 "[ . 1 . 2]" 1
965 1 47 GLU HA 1 48 LYS HB3 . . 5.320 4.854 4.531 5.029 . 0 0 "[ . 1 . 2]" 1
966 1 47 GLU HA 1 75 ALA MB . . 5.500 4.621 4.134 4.991 . 0 0 "[ . 1 . 2]" 1
967 1 42 GLU QG 1 92 PHE HZ . . 4.920 4.088 3.483 4.740 . 0 0 "[ . 1 . 2]" 1
968 1 42 GLU HB3 1 92 PHE HZ . . 5.500 3.882 3.607 4.194 . 0 0 "[ . 1 . 2]" 1
969 1 44 LYS HD2 1 92 PHE HZ . . 5.290 3.882 2.532 4.821 . 0 0 "[ . 1 . 2]" 1
970 1 84 ARG HA 1 89 TYR QD . . 4.830 4.023 3.118 4.637 . 0 0 "[ . 1 . 2]" 1
971 1 42 GLU QG 1 92 PHE QE . . 5.190 4.536 3.918 5.105 . 0 0 "[ . 1 . 2]" 1
972 1 42 GLU QG 1 82 ARG HE . . 4.830 3.322 2.443 4.054 . 0 0 "[ . 1 . 2]" 1
973 1 42 GLU QG 1 89 TYR QE . . 4.890 3.845 2.874 4.630 . 0 0 "[ . 1 . 2]" 1
974 1 42 GLU HB3 1 82 ARG HE . . 4.610 2.453 1.923 3.177 . 0 0 "[ . 1 . 2]" 1
975 1 82 ARG HB2 1 92 PHE QD . . 4.890 4.067 3.880 4.279 . 0 0 "[ . 1 . 2]" 1
976 1 42 GLU HA 1 43 VAL HB . . 4.800 4.589 4.476 4.676 . 0 0 "[ . 1 . 2]" 1
977 1 26 LEU MD1 1 68 LEU HG . . 3.770 2.741 2.191 3.581 . 0 0 "[ . 1 . 2]" 1
978 1 26 LEU MD2 1 68 LEU MD2 . . 5.220 4.991 4.038 5.220 0.000 11 0 "[ . 1 . 2]" 1
979 1 68 LEU HA 1 68 LEU MD1 . . 4.460 3.919 3.834 4.005 . 0 0 "[ . 1 . 2]" 1
980 1 45 TYR HB2 1 68 LEU MD1 . . 4.400 3.634 3.045 4.124 . 0 0 "[ . 1 . 2]" 1
981 1 78 LEU H 1 78 LEU MD2 . . 4.630 3.366 1.913 4.306 . 0 0 "[ . 1 . 2]" 1
982 1 78 LEU HB2 1 79 VAL H . . 4.800 4.461 4.337 4.566 . 0 0 "[ . 1 . 2]" 1
983 1 75 ALA MB 1 77 TYR QD . . 4.900 3.382 2.240 4.005 . 0 0 "[ . 1 . 2]" 1
984 1 46 HIS HA 1 77 TYR QE . . 4.750 4.243 3.516 4.750 . 0 0 "[ . 1 . 2]" 1
985 1 47 GLU HG3 1 77 TYR QE . . 5.120 3.450 3.003 3.920 . 0 0 "[ . 1 . 2]" 1
986 1 71 LEU MD1 1 77 TYR QE . . 5.060 4.457 4.091 4.905 . 0 0 "[ . 1 . 2]" 1
987 1 42 GLU QG 1 44 LYS HB2 . . 5.150 4.230 3.303 5.085 . 0 0 "[ . 1 . 2]" 1
988 1 82 ARG HD2 1 92 PHE QE . . 5.460 4.591 4.047 4.935 . 0 0 "[ . 1 . 2]" 1
989 1 82 ARG HD2 1 92 PHE HZ . . 5.500 4.809 4.437 5.335 . 0 0 "[ . 1 . 2]" 1
990 1 12 SER QB 1 94 GLN QB . . 4.700 4.617 4.328 4.702 0.002 7 0 "[ . 1 . 2]" 1
991 1 14 ILE MD 1 81 VAL H . . 4.390 2.771 2.489 2.943 . 0 0 "[ . 1 . 2]" 1
992 1 45 TYR QD 1 57 ARG HB3 . . 5.090 4.515 3.990 5.072 . 0 0 "[ . 1 . 2]" 1
993 1 43 VAL H 1 58 PHE HA . . 5.460 4.763 4.402 5.225 . 0 0 "[ . 1 . 2]" 1
994 1 45 TYR QE 1 57 ARG QD . . 4.590 3.597 2.294 4.568 . 0 0 "[ . 1 . 2]" 1
995 1 45 TYR QE 1 68 LEU MD1 . . 4.570 3.777 3.109 4.391 . 0 0 "[ . 1 . 2]" 1
996 1 43 VAL HB 1 68 LEU MD2 . . 4.640 3.697 3.136 4.545 . 0 0 "[ . 1 . 2]" 1
997 1 59 LEU MD1 1 68 LEU MD2 . . 3.650 3.383 3.050 3.647 . 0 0 "[ . 1 . 2]" 1
998 1 26 LEU HB2 1 27 ALA H . . 5.020 3.737 3.504 3.986 . 0 0 "[ . 1 . 2]" 1
999 1 27 ALA HA 1 65 ARG QD . . 5.500 5.147 4.132 5.497 . 0 0 "[ . 1 . 2]" 1
1000 1 26 LEU HB3 1 66 ALA MB . . 4.900 4.584 4.188 4.898 . 0 0 "[ . 1 . 2]" 1
1001 1 26 LEU HB3 1 27 ALA MB . . 5.050 4.722 4.510 4.899 . 0 0 "[ . 1 . 2]" 1
1002 1 14 ILE MG 1 26 LEU MD1 . . 4.890 4.130 3.591 4.618 . 0 0 "[ . 1 . 2]" 1
1003 1 14 ILE MG 1 26 LEU MD2 . . 3.550 3.087 2.594 3.529 . 0 0 "[ . 1 . 2]" 1
1004 1 16 VAL MG1 1 26 LEU MD2 . . 3.570 3.038 2.384 3.410 . 0 0 "[ . 1 . 2]" 1
1005 1 16 VAL MG2 1 26 LEU MD2 . . 3.570 2.264 1.865 3.004 . 0 0 "[ . 1 . 2]" 1
1006 1 26 LEU MD2 1 68 LEU MD1 . . 4.040 3.364 2.391 3.726 . 0 0 "[ . 1 . 2]" 1
1007 1 24 LEU HA 1 24 LEU MD1 . . 4.720 3.863 3.168 3.968 . 0 0 "[ . 1 . 2]" 1
1008 1 45 TYR QD 1 59 LEU QB . . 4.660 3.866 3.358 4.009 . 0 0 "[ . 1 . 2]" 1
1009 1 59 LEU MD1 1 61 THR HB . . 4.280 3.760 3.453 4.142 . 0 0 "[ . 1 . 2]" 1
1010 1 67 GLU HA 1 68 LEU HG . . 5.030 3.808 3.316 4.076 . 0 0 "[ . 1 . 2]" 1
1011 1 57 ARG HB3 1 57 ARG QD . . 3.530 2.460 2.176 3.300 . 0 0 "[ . 1 . 2]" 1
1012 1 57 ARG QD 1 58 PHE H . . 4.680 3.707 2.713 4.683 0.003 3 0 "[ . 1 . 2]" 1
1013 1 24 LEU H 1 68 LEU MD1 . . 4.750 4.219 3.518 4.671 . 0 0 "[ . 1 . 2]" 1
1014 1 16 VAL MG2 1 17 THR H . . 4.870 3.801 2.737 4.234 . 0 0 "[ . 1 . 2]" 1
1015 1 25 SER HA 1 26 LEU HG . . 5.140 3.631 3.279 4.040 . 0 0 "[ . 1 . 2]" 1
1016 1 25 SER HA 1 26 LEU MD1 . . 5.180 4.624 4.218 5.064 . 0 0 "[ . 1 . 2]" 1
1017 1 25 SER HA 1 26 LEU MD2 . . 5.500 4.749 4.322 5.224 . 0 0 "[ . 1 . 2]" 1
1018 1 68 LEU HB2 1 71 LEU HG . . 5.250 4.201 3.745 4.556 . 0 0 "[ . 1 . 2]" 1
1019 1 68 LEU HB3 1 71 LEU HG . . 5.100 3.803 3.337 4.196 . 0 0 "[ . 1 . 2]" 1
1020 1 44 LYS HE2 1 56 VAL MG2 . . 4.730 3.455 1.963 4.727 . 0 0 "[ . 1 . 2]" 1
1021 1 44 LYS HE3 1 56 VAL MG2 . . 4.730 3.513 1.973 4.568 . 0 0 "[ . 1 . 2]" 1
1022 1 80 GLN H 1 80 GLN HG2 . . 4.820 4.380 3.544 4.734 . 0 0 "[ . 1 . 2]" 1
1023 1 42 GLU QG 1 58 PHE HB2 . . 5.330 5.152 4.677 5.331 0.001 6 0 "[ . 1 . 2]" 1
1024 1 82 ARG HB3 1 92 PHE QD . . 4.920 2.531 2.208 2.859 . 0 0 "[ . 1 . 2]" 1
1025 1 42 GLU HB3 1 92 PHE QE . . 5.500 3.685 3.266 3.934 . 0 0 "[ . 1 . 2]" 1
1026 1 42 GLU HB2 1 92 PHE QE . . 5.500 5.302 4.916 5.502 0.002 8 0 "[ . 1 . 2]" 1
1027 1 42 GLU HB2 1 92 PHE HZ . . 5.500 5.436 5.087 5.502 0.002 20 0 "[ . 1 . 2]" 1
1028 1 42 GLU HB2 1 43 VAL H . . 4.840 4.398 4.204 4.586 . 0 0 "[ . 1 . 2]" 1
1029 1 91 PRO HA 1 92 PHE QD . . 4.550 4.444 4.072 4.547 . 0 0 "[ . 1 . 2]" 1
1030 1 82 ARG HG3 1 92 PHE QE . . 4.910 4.289 3.811 4.802 . 0 0 "[ . 1 . 2]" 1
1031 1 41 TYR QE 1 83 ALA HA . . 4.880 3.858 3.609 4.233 . 0 0 "[ . 1 . 2]" 1
1032 1 41 TYR HD1 1 83 ALA HA . . 5.500 5.345 5.045 5.499 . 0 0 "[ . 1 . 2]" 1
1033 1 41 TYR HA 1 41 TYR HD2 . . 4.840 3.383 3.184 3.666 . 0 0 "[ . 1 . 2]" 1
1034 1 28 TRP HH2 1 64 ASN HA . . 4.750 4.561 4.086 4.754 0.004 18 0 "[ . 1 . 2]" 1
1035 1 26 LEU MD1 1 59 LEU MD2 . . 3.970 3.705 3.010 3.973 0.003 9 0 "[ . 1 . 2]" 1
1036 1 24 LEU HB3 1 26 LEU MD2 . . 3.940 3.588 3.270 3.939 . 0 0 "[ . 1 . 2]" 1
1037 1 16 VAL HB 1 26 LEU MD2 . . 4.990 3.942 2.007 4.990 0.000 11 0 "[ . 1 . 2]" 1
1038 1 26 LEU MD2 1 28 TRP HE3 . . 5.000 4.648 4.335 4.973 . 0 0 "[ . 1 . 2]" 1
1039 1 26 LEU MD1 1 28 TRP HE3 . . 5.260 4.930 4.709 5.090 . 0 0 "[ . 1 . 2]" 1
1040 1 45 TYR HB2 1 80 GLN H . . 5.500 5.275 4.902 5.501 0.001 8 0 "[ . 1 . 2]" 1
1041 1 45 TYR HB2 1 77 TYR QD . . 4.700 3.308 2.911 3.545 . 0 0 "[ . 1 . 2]" 1
1042 1 45 TYR HB3 1 77 TYR QD . . 5.260 4.962 4.427 5.234 . 0 0 "[ . 1 . 2]" 1
1043 1 43 VAL MG1 1 45 TYR HB2 . . 4.850 4.682 4.496 4.850 . 0 0 "[ . 1 . 2]" 1
1044 1 45 TYR QE 1 77 TYR QD . . 5.450 5.221 4.720 5.444 . 0 0 "[ . 1 . 2]" 1
1045 1 29 ALA HA 1 64 ASN HD21 . . 4.580 3.437 2.995 3.968 . 0 0 "[ . 1 . 2]" 1
1046 1 47 GLU HG3 1 75 ALA MB . . 4.030 3.029 2.355 3.684 . 0 0 "[ . 1 . 2]" 1
1047 1 47 GLU HG2 1 75 ALA MB . . 4.030 3.551 2.969 3.991 . 0 0 "[ . 1 . 2]" 1
1048 1 72 LYS QE 1 75 ALA MB . . 4.750 4.041 2.537 4.739 . 0 0 "[ . 1 . 2]" 1
1049 1 102 LEU HA 1 102 LEU MD1 . . 4.110 3.752 3.225 4.085 . 0 0 "[ . 1 . 2]" 1
1050 1 32 ARG HA 1 33 ALA MB . . 4.680 3.968 3.848 4.095 . 0 0 "[ . 1 . 2]" 1
1051 1 9 PRO HD2 1 33 ALA HA . . 4.550 3.144 2.594 4.025 . 0 0 "[ . 1 . 2]" 1
1052 1 33 ALA HA 1 34 PRO HG3 . . 5.500 4.422 4.346 4.563 . 0 0 "[ . 1 . 2]" 1
1053 1 8 PRO HB3 1 33 ALA MB . . 4.250 2.513 1.968 3.337 . 0 0 "[ . 1 . 2]" 1
1054 1 8 PRO HB2 1 33 ALA MB . . 4.250 3.505 2.792 3.988 . 0 0 "[ . 1 . 2]" 1
1055 1 39 LEU HA 1 39 LEU MD1 . . 4.530 3.921 3.865 3.958 . 0 0 "[ . 1 . 2]" 1
1056 1 33 ALA MB 1 85 SER HB3 . . 4.820 4.092 3.049 4.820 . 0 0 "[ . 1 . 2]" 1
1057 1 33 ALA MB 1 85 SER HB2 . . 4.820 3.720 3.203 4.336 . 0 0 "[ . 1 . 2]" 1
1058 1 8 PRO HG2 1 38 VAL MG2 . . 4.940 4.383 3.412 4.941 0.001 6 0 "[ . 1 . 2]" 1
1059 1 9 PRO HD2 1 33 ALA MB . . 4.590 2.863 1.987 3.631 . 0 0 "[ . 1 . 2]" 1
1060 1 9 PRO HD2 1 83 ALA MB . . 5.430 4.048 3.604 4.683 . 0 0 "[ . 1 . 2]" 1
1061 1 9 PRO HD3 1 33 ALA MB . . 5.060 3.190 2.202 4.280 . 0 0 "[ . 1 . 2]" 1
1062 1 11 VAL HA 1 31 PRO HB3 . . 4.660 3.615 3.274 4.091 . 0 0 "[ . 1 . 2]" 1
1063 1 11 VAL HA 1 31 PRO HG3 . . 4.590 3.248 2.947 3.715 . 0 0 "[ . 1 . 2]" 1
1064 1 11 VAL HA 1 31 PRO HG2 . . 5.370 4.958 4.631 5.374 0.004 11 0 "[ . 1 . 2]" 1
1065 1 13 ASP HB2 1 29 ALA H . . 4.710 3.899 2.446 4.694 . 0 0 "[ . 1 . 2]" 1
1066 1 14 ILE HB 1 15 ARG H . . 5.000 4.391 4.244 4.487 . 0 0 "[ . 1 . 2]" 1
1067 1 17 THR MG 1 26 LEU HA . . 5.080 4.428 2.141 5.012 . 0 0 "[ . 1 . 2]" 1
1068 1 14 ILE MG 1 26 LEU HA . . 4.920 4.270 3.663 4.826 . 0 0 "[ . 1 . 2]" 1
1069 1 27 ALA HA 1 28 TRP HZ3 . . 4.830 2.958 2.899 2.991 . 0 0 "[ . 1 . 2]" 1
1070 1 27 ALA MB 1 28 TRP HA . . 4.740 4.109 4.087 4.164 . 0 0 "[ . 1 . 2]" 1
1071 1 26 LEU HA 1 27 ALA MB . . 4.710 3.789 3.698 3.892 . 0 0 "[ . 1 . 2]" 1
1072 1 30 VAL HA 1 30 VAL MG2 . . 3.250 2.388 2.291 2.447 . 0 0 "[ . 1 . 2]" 1
1073 1 41 TYR QE 1 63 GLU HA . . 4.360 3.470 2.476 4.256 . 0 0 "[ . 1 . 2]" 1
1074 1 38 VAL MG2 1 41 TYR QE . . 4.510 3.466 3.072 3.972 . 0 0 "[ . 1 . 2]" 1
1075 1 24 LEU HB3 1 26 LEU HG . . 5.480 4.055 3.409 4.641 . 0 0 "[ . 1 . 2]" 1
1076 1 26 LEU HG 1 68 LEU HG . . 4.770 3.575 2.701 3.948 . 0 0 "[ . 1 . 2]" 1
1077 1 16 VAL MG1 1 26 LEU HG . . 5.360 4.542 3.430 5.359 . 0 0 "[ . 1 . 2]" 1
1078 1 16 VAL MG2 1 26 LEU HG . . 5.360 4.076 3.142 5.279 . 0 0 "[ . 1 . 2]" 1
1079 1 50 ALA MB 1 55 SER HA . . 4.630 4.133 3.313 4.642 0.012 12 0 "[ . 1 . 2]" 1
1080 1 51 GLU HA 1 51 GLU HG3 . . 3.980 3.120 2.344 3.843 . 0 0 "[ . 1 . 2]" 1
1081 1 51 GLU HA 1 51 GLU HG2 . . 3.980 3.025 2.279 3.766 . 0 0 "[ . 1 . 2]" 1
1082 1 50 ALA MB 1 51 GLU HA . . 4.800 4.078 3.866 4.392 . 0 0 "[ . 1 . 2]" 1
1083 1 46 HIS HB2 1 50 ALA MB . . 4.680 3.934 3.032 4.681 0.001 6 0 "[ . 1 . 2]" 1
1084 1 47 GLU HB2 1 50 ALA MB . . 3.760 3.504 3.183 3.763 0.003 12 0 "[ . 1 . 2]" 1
1085 1 47 GLU HB3 1 50 ALA MB . . 3.760 2.347 2.053 2.933 . 0 0 "[ . 1 . 2]" 1
1086 1 59 LEU MD2 1 60 LYS HA . . 5.200 4.995 4.719 5.179 . 0 0 "[ . 1 . 2]" 1
1087 1 45 TYR QE 1 59 LEU MD2 . . 4.640 3.862 3.208 4.345 . 0 0 "[ . 1 . 2]" 1
1088 1 23 SER H 1 100 THR MG . . 5.500 5.248 4.609 5.500 . 3 0 "[ . 1 . 2]" 1
1089 1 48 LYS HB2 1 78 LEU HG . . 4.810 3.872 2.609 4.810 . 10 0 "[ . 1 . 2]" 1
1090 1 7 GLY QA 1 8 PRO QD . . 2.900 1.945 1.893 2.033 . 0 0 "[ . 1 . 2]" 1
1091 1 7 GLY QA 1 87 ALA MB . . 3.500 2.476 1.982 3.001 . 0 0 "[ . 1 . 2]" 1
1092 1 7 GLY QA 1 90 GLY H . . 4.720 4.061 3.360 4.655 . 0 0 "[ . 1 . 2]" 1
1093 1 8 PRO QB 1 9 PRO HD3 . . 3.820 3.243 3.181 3.377 . 0 0 "[ . 1 . 2]" 1
1094 1 8 PRO QB 1 33 ALA HA . . 5.130 3.954 3.017 4.990 . 0 0 "[ . 1 . 2]" 1
1095 1 8 PRO QB 1 33 ALA MB . . 3.620 2.454 1.951 3.177 . 0 0 "[ . 1 . 2]" 1
1096 1 8 PRO QB 1 38 VAL MG2 . . 3.620 2.720 1.873 3.171 . 0 0 "[ . 1 . 2]" 1
1097 1 8 PRO QB 1 83 ALA MB . . 3.230 2.451 2.135 2.803 . 0 0 "[ . 1 . 2]" 1
1098 1 8 PRO QB 1 85 SER QB . . 4.480 2.667 2.095 3.626 . 0 0 "[ . 1 . 2]" 1
1099 1 8 PRO QB 1 90 GLY QA . . 4.820 4.350 3.969 4.560 . 0 0 "[ . 1 . 2]" 1
1100 1 8 PRO QG 1 11 VAL QG . . 4.930 4.667 4.290 4.873 . 0 0 "[ . 1 . 2]" 1
1101 1 8 PRO QG 1 38 VAL MG2 . . 4.250 3.355 2.446 3.979 . 0 0 "[ . 1 . 2]" 1
1102 1 8 PRO QG 1 84 ARG HA . . 4.590 2.686 2.198 3.508 . 0 0 "[ . 1 . 2]" 1
1103 1 8 PRO QG 1 85 SER QB . . 4.040 2.623 2.118 3.120 . 0 0 "[ . 1 . 2]" 1
1104 1 8 PRO QG 1 90 GLY H . . 4.010 3.344 2.957 3.751 . 0 0 "[ . 1 . 2]" 1
1105 1 8 PRO QG 1 90 GLY QA . . 5.040 2.886 2.368 3.256 . 0 0 "[ . 1 . 2]" 1
1106 1 8 PRO QD 1 85 SER H . . 4.410 2.390 1.891 2.943 . 0 0 "[ . 1 . 2]" 1
1107 1 8 PRO QD 1 90 GLY H . . 3.670 3.003 2.414 3.479 . 0 0 "[ . 1 . 2]" 1
1108 1 9 PRO QB 1 10 ALA H . . 3.220 3.060 2.838 3.116 . 0 0 "[ . 1 . 2]" 1
1109 1 9 PRO QB 1 10 ALA MB . . 5.340 4.184 4.044 4.265 . 0 0 "[ . 1 . 2]" 1
1110 1 9 PRO QG 1 31 PRO HB2 . . 3.720 2.068 1.970 2.212 . 0 0 "[ . 1 . 2]" 1
1111 1 9 PRO QG 1 33 ALA HA . . 4.710 3.380 2.876 3.880 . 0 0 "[ . 1 . 2]" 1
1112 1 10 ALA HA 1 11 VAL QG . . 4.410 3.581 3.361 3.775 . 0 0 "[ . 1 . 2]" 1
1113 1 10 ALA MB 1 91 PRO QB . . 3.860 3.126 2.664 3.481 . 0 0 "[ . 1 . 2]" 1
1114 1 10 ALA MB 1 93 GLY QA . . 3.110 1.986 1.813 2.184 . 0 0 "[ . 1 . 2]" 1
1115 1 11 VAL H 1 11 VAL QG . . 3.430 1.964 1.873 2.168 . 0 0 "[ . 1 . 2]" 1
1116 1 11 VAL HB 1 81 VAL QG . . 4.190 3.243 2.866 3.819 . 0 0 "[ . 1 . 2]" 1
1117 1 11 VAL QG 1 12 SER H . . 3.580 2.533 2.105 2.888 . 0 0 "[ . 1 . 2]" 1
1118 1 11 VAL QG 1 14 ILE QG . . 3.980 2.049 1.797 2.360 . 0 0 "[ . 1 . 2]" 1
1119 1 11 VAL QG 1 28 TRP HA . . 4.940 3.908 3.658 4.401 . 0 0 "[ . 1 . 2]" 1
1120 1 11 VAL QG 1 28 TRP QB . . 3.400 1.996 1.730 2.335 . 0 0 "[ . 1 . 2]" 1
1121 1 11 VAL QG 1 28 TRP HD1 . . 3.470 2.389 1.896 2.814 . 0 0 "[ . 1 . 2]" 1
1122 1 11 VAL QG 1 28 TRP HE1 . . 3.850 3.451 2.792 3.790 . 0 0 "[ . 1 . 2]" 1
1123 1 11 VAL QG 1 29 ALA H . . 4.250 3.734 3.383 4.139 . 0 0 "[ . 1 . 2]" 1
1124 1 11 VAL QG 1 31 PRO HG2 . . 4.680 4.267 3.878 4.647 . 0 0 "[ . 1 . 2]" 1
1125 1 11 VAL QG 1 31 PRO HG3 . . 3.950 3.061 2.694 3.470 . 0 0 "[ . 1 . 2]" 1
1126 1 11 VAL QG 1 31 PRO HD3 . . 4.050 3.389 3.035 3.946 . 0 0 "[ . 1 . 2]" 1
1127 1 11 VAL QG 1 41 TYR QE . . 3.860 3.134 2.742 3.553 . 0 0 "[ . 1 . 2]" 1
1128 1 11 VAL QG 1 41 TYR HD2 . . 5.010 2.668 2.219 3.043 . 0 0 "[ . 1 . 2]" 1
1129 1 11 VAL QG 1 81 VAL HB . . 3.480 2.488 1.965 2.949 . 0 0 "[ . 1 . 2]" 1
1130 1 11 VAL QG 1 81 VAL QG . . 2.980 1.999 1.637 2.459 . 0 0 "[ . 1 . 2]" 1
1131 1 11 VAL QG 1 82 ARG HA . . 3.760 2.068 1.928 2.384 . 0 0 "[ . 1 . 2]" 1
1132 1 11 VAL QG 1 82 ARG HB2 . . 4.590 3.972 3.695 4.290 . 0 0 "[ . 1 . 2]" 1
1133 1 11 VAL QG 1 83 ALA H . . 3.810 2.711 2.437 2.977 . 0 0 "[ . 1 . 2]" 1
1134 1 11 VAL QG 1 83 ALA MB . . 3.120 2.197 1.914 2.501 . 0 0 "[ . 1 . 2]" 1
1135 1 13 ASP QB 1 29 ALA H . . 3.970 3.365 2.419 3.862 . 0 0 "[ . 1 . 2]" 1
1136 1 13 ASP QB 1 29 ALA MB . . 3.240 2.577 1.944 3.069 . 0 0 "[ . 1 . 2]" 1
1137 1 14 ILE H 1 14 ILE QG . . 3.620 2.378 2.138 2.597 . 0 0 "[ . 1 . 2]" 1
1138 1 14 ILE HA 1 14 ILE QG . . 3.390 2.464 2.389 2.597 . 0 0 "[ . 1 . 2]" 1
1139 1 14 ILE HA 1 28 TRP QB . . 3.350 2.884 2.312 3.112 . 0 0 "[ . 1 . 2]" 1
1140 1 14 ILE HB 1 96 HIS QB . . 4.550 3.358 2.959 3.975 . 0 0 "[ . 1 . 2]" 1
1141 1 14 ILE MG 1 16 VAL QG . . 3.970 3.548 2.985 3.972 0.002 9 0 "[ . 1 . 2]" 1
1142 1 14 ILE MG 1 28 TRP QB . . 3.970 2.966 2.591 3.165 . 0 0 "[ . 1 . 2]" 1
1143 1 14 ILE MG 1 81 VAL QG . . 3.770 2.576 1.944 3.047 . 0 0 "[ . 1 . 2]" 1
1144 1 14 ILE MG 1 96 HIS QB . . 4.750 3.202 2.781 3.810 . 0 0 "[ . 1 . 2]" 1
1145 1 14 ILE QG 1 28 TRP QB . . 3.590 2.052 1.950 2.366 . 0 0 "[ . 1 . 2]" 1
1146 1 14 ILE QG 1 81 VAL QG . . 4.090 3.297 2.973 3.688 . 0 0 "[ . 1 . 2]" 1
1147 1 14 ILE HG12 1 81 VAL MG1 . . 6.500 3.957 3.604 4.372 . 0 0 "[ . 1 . 2]" 1
1148 1 14 ILE HG12 1 81 VAL MG2 . . 6.500 3.692 3.214 4.252 . 0 0 "[ . 1 . 2]" 1
1149 1 14 ILE MD 1 28 TRP QB . . 4.100 3.558 3.385 3.875 . 0 0 "[ . 1 . 2]" 1
1150 1 14 ILE MD 1 81 VAL QG . . 3.220 2.711 2.257 3.031 . 0 0 "[ . 1 . 2]" 1
1151 1 14 ILE MD 1 96 HIS QB . . 3.870 3.280 2.482 3.749 . 0 0 "[ . 1 . 2]" 1
1152 1 15 ARG H 1 15 ARG QG . . 4.120 3.214 2.006 4.092 . 0 0 "[ . 1 . 2]" 1
1153 1 15 ARG H 1 28 TRP QB . . 5.090 4.439 3.758 4.703 . 0 0 "[ . 1 . 2]" 1
1154 1 15 ARG HA 1 16 VAL QG . . 4.320 3.460 3.100 3.875 . 0 0 "[ . 1 . 2]" 1
1155 1 16 VAL H 1 16 VAL QG . . 3.400 2.486 1.862 2.960 . 0 0 "[ . 1 . 2]" 1
1156 1 16 VAL HA 1 16 VAL QG . . 2.970 2.158 2.025 2.408 . 0 0 "[ . 1 . 2]" 1
1157 1 16 VAL QG 1 17 THR H . . 3.360 2.867 2.466 3.202 . 0 0 "[ . 1 . 2]" 1
1158 1 16 VAL QG 1 19 SER QB . . 3.720 3.009 2.253 3.563 . 0 0 "[ . 1 . 2]" 1
1159 1 16 VAL QG 1 26 LEU HA . . 4.160 3.072 2.739 3.792 . 0 0 "[ . 1 . 2]" 1
1160 1 16 VAL QG 1 26 LEU HB3 . . 5.440 4.157 3.580 4.725 . 0 0 "[ . 1 . 2]" 1
1161 1 16 VAL QG 1 26 LEU HG . . 4.470 3.697 3.121 4.413 . 0 0 "[ . 1 . 2]" 1
1162 1 16 VAL QG 1 26 LEU MD2 . . 3.090 2.187 1.802 2.723 . 0 0 "[ . 1 . 2]" 1
1163 1 16 VAL QG 1 96 HIS HD2 . . 4.610 3.198 1.937 4.512 . 0 0 "[ . 1 . 2]" 1
1164 1 16 VAL QG 1 96 HIS HE1 . . 4.500 3.254 1.965 4.472 . 0 0 "[ . 1 . 2]" 1
1165 1 16 VAL QG 1 98 SER QB . . 3.700 3.240 2.329 3.641 . 0 0 "[ . 1 . 2]" 1
1166 1 18 ARG H 1 18 ARG QB . . 3.630 3.007 2.137 3.314 . 0 0 "[ . 1 . 2]" 1
1167 1 18 ARG H 1 18 ARG QG . . 4.360 3.417 2.644 4.299 . 0 0 "[ . 1 . 2]" 1
1168 1 18 ARG QB 1 25 SER QB . . 3.700 2.524 2.073 3.642 . 0 0 "[ . 1 . 2]" 1
1169 1 19 SER QB 1 20 SER H . . 4.120 2.973 2.027 3.825 . 0 0 "[ . 1 . 2]" 1
1170 1 19 SER QB 1 24 LEU QD . . 3.790 3.157 2.677 3.753 . 0 0 "[ . 1 . 2]" 1
1171 1 19 SER QB 1 100 THR HA . . 4.380 3.852 2.411 4.379 . 0 0 "[ . 1 . 2]" 1
1172 1 20 SER HA 1 21 PRO QD . . 3.100 2.119 2.070 2.162 . 0 0 "[ . 1 . 2]" 1
1173 1 22 SER QB 1 70 GLY H . . 4.580 3.659 3.149 4.296 . 0 0 "[ . 1 . 2]" 1
1174 1 22 SER QB 1 71 LEU H . . 3.730 3.421 2.777 3.693 . 0 0 "[ . 1 . 2]" 1
1175 1 23 SER H 1 71 LEU QD . . 4.600 3.984 2.841 4.549 . 0 0 "[ . 1 . 2]" 1
1176 1 23 SER HA 1 71 LEU QD . . 3.640 2.391 1.976 3.046 . 0 0 "[ . 1 . 2]" 1
1177 1 23 SER QB 1 24 LEU H . . 3.300 2.572 2.303 3.105 . 0 0 "[ . 1 . 2]" 1
1178 1 23 SER QB 1 69 ARG QD . . 4.840 4.515 3.946 4.838 . 0 0 "[ . 1 . 2]" 1
1179 1 24 LEU H 1 24 LEU QD . . 4.810 3.639 2.861 3.883 . 0 0 "[ . 1 . 2]" 1
1180 1 24 LEU H 1 71 LEU QD . . 3.680 2.699 2.232 3.335 . 0 0 "[ . 1 . 2]" 1
1181 1 24 LEU HA 1 24 LEU QD . . 3.270 2.195 2.036 2.955 . 0 0 "[ . 1 . 2]" 1
1182 1 24 LEU HB2 1 71 LEU QD . . 3.580 2.573 2.003 3.038 . 0 0 "[ . 1 . 2]" 1
1183 1 24 LEU HB2 1 79 VAL QG . . 5.440 4.568 4.227 5.359 . 0 0 "[ . 1 . 2]" 1
1184 1 24 LEU HB3 1 71 LEU QD . . 4.540 3.828 3.355 4.229 . 0 0 "[ . 1 . 2]" 1
1185 1 24 LEU HG 1 71 LEU QD . . 3.820 2.532 1.957 3.810 . 0 0 "[ . 1 . 2]" 1
1186 1 24 LEU QD 1 26 LEU MD1 . . 5.330 4.542 3.943 5.009 . 0 0 "[ . 1 . 2]" 1
1187 1 24 LEU QD 1 68 LEU MD1 . . 3.540 3.112 2.381 3.492 . 0 0 "[ . 1 . 2]" 1
1188 1 24 LEU QD 1 71 LEU QD . . 3.220 1.977 1.661 2.345 . 0 0 "[ . 1 . 2]" 1
1189 1 24 LEU QD 1 73 ARG HA . . 4.290 4.204 3.784 4.299 0.009 12 0 "[ . 1 . 2]" 1
1190 1 24 LEU QD 1 73 ARG QB . . 5.090 4.815 4.228 5.077 . 0 0 "[ . 1 . 2]" 1
1191 1 24 LEU QD 1 77 TYR QB . . 3.730 3.224 2.709 3.704 . 0 0 "[ . 1 . 2]" 1
1192 1 24 LEU QD 1 77 TYR QD . . 4.160 3.522 2.807 4.077 . 0 0 "[ . 1 . 2]" 1
1193 1 24 LEU QD 1 79 VAL QG . . 4.150 3.561 3.147 4.153 0.003 20 0 "[ . 1 . 2]" 1
1194 1 24 LEU QD 1 98 SER QB . . 3.450 2.206 1.656 3.149 . 0 0 "[ . 1 . 2]" 1
1195 1 24 LEU QD 1 100 THR HA . . 3.810 3.256 2.668 3.791 . 0 0 "[ . 1 . 2]" 1
1196 1 24 LEU QD 1 100 THR MG . . 3.050 1.876 1.647 2.180 . 0 0 "[ . 1 . 2]" 1
1197 1 25 SER QB 1 26 LEU H . . 3.830 3.408 2.272 3.834 0.004 20 0 "[ . 1 . 2]" 1
1198 1 26 LEU HB2 1 81 VAL QG . . 5.280 3.788 3.609 4.002 . 0 0 "[ . 1 . 2]" 1
1199 1 28 TRP H 1 64 ASN QB . . 3.960 3.176 2.876 3.660 . 0 0 "[ . 1 . 2]" 1
1200 1 28 TRP H 1 64 ASN QD . . 4.640 3.936 3.407 4.413 . 0 0 "[ . 1 . 2]" 1
1201 1 28 TRP QB 1 28 TRP HE3 . . 3.640 2.877 2.871 2.880 . 0 0 "[ . 1 . 2]" 1
1202 1 28 TRP QB 1 29 ALA H . . 3.120 2.314 2.296 2.319 . 0 0 "[ . 1 . 2]" 1
1203 1 28 TRP HD1 1 64 ASN QB . . 4.650 3.032 2.467 3.351 . 0 0 "[ . 1 . 2]" 1
1204 1 28 TRP HD1 1 81 VAL QG . . 4.470 3.668 3.121 4.013 . 0 0 "[ . 1 . 2]" 1
1205 1 28 TRP HE3 1 81 VAL QG . . 4.320 3.200 2.839 3.483 . 0 0 "[ . 1 . 2]" 1
1206 1 28 TRP HE1 1 41 TYR QB . . 4.300 3.099 2.738 3.321 . 0 0 "[ . 1 . 2]" 1
1207 1 28 TRP HE1 1 81 VAL QG . . 4.010 3.181 2.613 3.576 . 0 0 "[ . 1 . 2]" 1
1208 1 28 TRP HZ3 1 81 VAL QG . . 4.710 3.122 2.880 3.339 . 0 0 "[ . 1 . 2]" 1
1209 1 28 TRP HZ2 1 41 TYR QB . . 3.750 2.714 2.477 2.949 . 0 0 "[ . 1 . 2]" 1
1210 1 28 TRP HZ2 1 81 VAL QG . . 4.330 3.045 2.406 3.436 . 0 0 "[ . 1 . 2]" 1
1211 1 29 ALA HA 1 30 VAL QG . . 3.730 3.620 3.468 3.746 0.016 18 0 "[ . 1 . 2]" 1
1212 1 29 ALA HA 1 64 ASN QD . . 3.890 3.256 2.768 3.742 . 0 0 "[ . 1 . 2]" 1
1213 1 29 ALA MB 1 30 VAL QG . . 4.500 4.155 3.603 4.273 . 0 0 "[ . 1 . 2]" 1
1214 1 30 VAL H 1 30 VAL QG . . 2.920 1.953 1.871 2.377 . 0 0 "[ . 1 . 2]" 1
1215 1 30 VAL H 1 64 ASN QD . . 4.030 2.630 1.736 3.172 . 0 0 "[ . 1 . 2]" 1
1216 1 30 VAL QG 1 31 PRO HD2 . . 3.410 2.762 2.222 3.010 . 0 0 "[ . 1 . 2]" 1
1217 1 30 VAL QG 1 38 VAL HB . . 3.910 3.768 3.471 3.911 0.001 10 0 "[ . 1 . 2]" 1
1218 1 30 VAL QG 1 38 VAL MG1 . . 4.420 4.305 3.859 4.423 0.003 5 0 "[ . 1 . 2]" 1
1219 1 30 VAL QG 1 41 TYR QE . . 4.530 4.120 3.701 4.388 . 0 0 "[ . 1 . 2]" 1
1220 1 30 VAL QG 1 64 ASN QB . . 3.310 2.921 2.397 3.314 0.004 18 0 "[ . 1 . 2]" 1
1221 1 30 VAL QG 1 64 ASN QD . . 3.270 2.326 1.857 2.886 . 0 0 "[ . 1 . 2]" 1
1222 1 32 ARG H 1 32 ARG QB . . 3.410 2.620 2.255 3.215 . 0 0 "[ . 1 . 2]" 1
1223 1 32 ARG H 1 32 ARG QG . . 3.990 2.687 1.897 3.979 . 0 0 "[ . 1 . 2]" 1
1224 1 32 ARG QB 1 33 ALA H . . 4.140 3.442 2.921 3.970 . 0 0 "[ . 1 . 2]" 1
1225 1 32 ARG QG 1 33 ALA H . . 4.610 4.096 2.807 4.498 . 0 0 "[ . 1 . 2]" 1
1226 1 33 ALA HA 1 34 PRO QG . . 4.790 3.945 3.853 4.094 . 0 0 "[ . 1 . 2]" 1
1227 1 33 ALA MB 1 85 SER QB . . 4.200 3.394 2.796 4.039 . 0 0 "[ . 1 . 2]" 1
1228 1 36 GLY QA 1 37 ALA HA . . 4.380 3.989 3.933 4.117 . 0 0 "[ . 1 . 2]" 1
1229 1 38 VAL HA 1 85 SER QB . . 4.270 3.352 2.675 3.979 . 0 0 "[ . 1 . 2]" 1
1230 1 40 ASP QB 1 41 TYR H . . 3.080 2.350 2.071 2.841 . 0 0 "[ . 1 . 2]" 1
1231 1 40 ASP QB 1 62 SER HA . . 3.710 2.596 2.099 3.516 . 0 0 "[ . 1 . 2]" 1
1232 1 40 ASP QB 1 62 SER QB . . 4.120 3.536 3.028 4.118 . 0 0 "[ . 1 . 2]" 1
1233 1 41 TYR H 1 41 TYR QB . . 3.570 2.689 2.487 2.868 . 0 0 "[ . 1 . 2]" 1
1234 1 41 TYR HA 1 81 VAL QG . . 4.640 4.471 4.079 4.639 . 0 0 "[ . 1 . 2]" 1
1235 1 41 TYR QB 1 42 GLU H . . 3.320 2.329 2.230 2.516 . 0 0 "[ . 1 . 2]" 1
1236 1 41 TYR QB 1 61 THR H . . 4.310 3.800 3.340 4.177 . 0 0 "[ . 1 . 2]" 1
1237 1 41 TYR QB 1 61 THR MG . . 3.210 2.444 2.102 2.721 . 0 0 "[ . 1 . 2]" 1
1238 1 41 TYR QB 1 81 VAL QG . . 3.650 2.675 2.300 2.916 . 0 0 "[ . 1 . 2]" 1
1239 1 41 TYR HD2 1 81 VAL QG . . 4.960 3.081 2.770 3.374 . 0 0 "[ . 1 . 2]" 1
1240 1 42 GLU H 1 42 GLU QB . . 3.460 2.619 2.505 2.691 . 0 0 "[ . 1 . 2]" 1
1241 1 42 GLU H 1 81 VAL QG . . 3.990 3.339 2.795 3.604 . 0 0 "[ . 1 . 2]" 1
1242 1 42 GLU H 1 82 ARG QG . . 4.230 2.623 2.172 3.113 . 0 0 "[ . 1 . 2]" 1
1243 1 42 GLU HA 1 60 LYS QG . . 4.660 3.493 2.459 4.174 . 0 0 "[ . 1 . 2]" 1
1244 1 42 GLU QB 1 43 VAL H . . 4.200 3.721 3.432 3.904 . 0 0 "[ . 1 . 2]" 1
1245 1 42 GLU QB 1 82 ARG QG . . 3.640 1.960 1.856 2.190 . 0 0 "[ . 1 . 2]" 1
1246 1 42 GLU QB 1 82 ARG HE . . 3.940 2.359 1.741 3.108 . 0 0 "[ . 1 . 2]" 1
1247 1 42 GLU QB 1 89 TYR QE . . 3.620 2.466 1.995 3.003 . 0 0 "[ . 1 . 2]" 1
1248 1 42 GLU QB 1 92 PHE HZ . . 4.690 3.801 3.536 4.070 . 0 0 "[ . 1 . 2]" 1
1249 1 42 GLU QG 1 60 LYS QG . . 3.970 2.867 1.892 3.702 . 0 0 "[ . 1 . 2]" 1
1250 1 43 VAL HA 1 81 VAL QG . . 3.910 2.881 2.480 3.239 . 0 0 "[ . 1 . 2]" 1
1251 1 43 VAL MG2 1 81 VAL QG . . 2.780 2.136 1.859 2.583 . 0 0 "[ . 1 . 2]" 1
1252 1 44 LYS H 1 79 VAL QG . . 4.320 3.607 2.904 4.317 . 0 0 "[ . 1 . 2]" 1
1253 1 44 LYS HA 1 44 LYS QG . . 3.520 2.452 2.267 2.624 . 0 0 "[ . 1 . 2]" 1
1254 1 44 LYS HB3 1 44 LYS QE . . 4.620 3.154 1.988 4.162 . 0 0 "[ . 1 . 2]" 1
1255 1 44 LYS QE 1 44 LYS QG . . 3.300 2.220 2.026 2.496 . 0 0 "[ . 1 . 2]" 1
1256 1 44 LYS QG 1 45 TYR H . . 3.490 3.105 2.491 3.343 . 0 0 "[ . 1 . 2]" 1
1257 1 44 LYS QG 1 56 VAL QG . . 3.300 1.925 1.709 2.344 . 0 0 "[ . 1 . 2]" 1
1258 1 44 LYS QD 1 56 VAL QG . . 3.630 2.608 2.029 3.519 . 0 0 "[ . 1 . 2]" 1
1259 1 44 LYS QD 1 58 PHE QD . . 5.340 4.264 3.480 5.330 . 0 0 "[ . 1 . 2]" 1
1260 1 44 LYS QD 1 58 PHE QE . . 4.090 2.836 1.993 4.099 0.009 6 0 "[ . 1 . 2]" 1
1261 1 44 LYS QD 1 58 PHE HZ . . 4.420 2.685 1.998 4.237 . 0 0 "[ . 1 . 2]" 1
1262 1 44 LYS QD 1 92 PHE HZ . . 4.660 2.923 2.481 3.624 . 0 0 "[ . 1 . 2]" 1
1263 1 44 LYS QE 1 56 VAL QG . . 3.350 2.598 1.867 3.318 . 0 0 "[ . 1 . 2]" 1
1264 1 44 LYS QE 1 92 PHE QE . . 4.480 3.644 2.405 4.456 . 0 0 "[ . 1 . 2]" 1
1265 1 44 LYS QE 1 92 PHE HZ . . 4.810 3.989 2.865 4.693 . 0 0 "[ . 1 . 2]" 1
1266 1 45 TYR H 1 56 VAL QG . . 4.030 3.232 2.878 3.828 . 0 0 "[ . 1 . 2]" 1
1267 1 45 TYR HA 1 79 VAL QG . . 3.800 3.164 2.675 3.736 . 0 0 "[ . 1 . 2]" 1
1268 1 45 TYR HB2 1 79 VAL QG . . 3.550 2.754 1.998 3.375 . 0 0 "[ . 1 . 2]" 1
1269 1 45 TYR HB3 1 79 VAL QG . . 3.460 2.220 1.803 2.711 . 0 0 "[ . 1 . 2]" 1
1270 1 45 TYR QD 1 71 LEU QD . . 3.790 3.104 2.275 3.767 . 0 0 "[ . 1 . 2]" 1
1271 1 45 TYR QE 1 57 ARG QG . . 4.500 3.584 2.753 4.044 . 0 0 "[ . 1 . 2]" 1
1272 1 45 TYR QE 1 71 LEU QD . . 3.160 2.779 1.990 3.161 0.001 20 0 "[ . 1 . 2]" 1
1273 1 46 HIS H 1 56 VAL QG . . 5.340 4.035 3.353 4.336 . 0 0 "[ . 1 . 2]" 1
1274 1 46 HIS H 1 79 VAL QG . . 4.820 4.175 3.613 4.573 . 0 0 "[ . 1 . 2]" 1
1275 1 46 HIS HA 1 56 VAL QG . . 5.190 3.589 2.810 3.951 . 0 0 "[ . 1 . 2]" 1
1276 1 46 HIS HB2 1 56 VAL QG . . 3.750 2.954 1.971 3.495 . 0 0 "[ . 1 . 2]" 1
1277 1 46 HIS HB3 1 56 VAL QG . . 3.580 2.066 1.848 2.320 . 0 0 "[ . 1 . 2]" 1
1278 1 46 HIS HE1 1 78 LEU QD . . 4.550 3.317 2.014 4.372 . 0 0 "[ . 1 . 2]" 1
1279 1 47 GLU H 1 47 GLU QG . . 4.390 3.855 3.767 3.969 . 0 0 "[ . 1 . 2]" 1
1280 1 47 GLU HA 1 47 GLU QG . . 3.720 2.296 2.165 2.512 . 0 0 "[ . 1 . 2]" 1
1281 1 47 GLU QB 1 48 LYS H . . 4.220 3.595 3.226 3.859 . 0 0 "[ . 1 . 2]" 1
1282 1 47 GLU QB 1 50 ALA MB . . 3.140 2.309 2.037 2.816 . 0 0 "[ . 1 . 2]" 1
1283 1 47 GLU QB 1 77 TYR QD . . 5.340 4.253 3.836 4.915 . 0 0 "[ . 1 . 2]" 1
1284 1 47 GLU QB 1 77 TYR QE . . 4.300 3.142 2.561 4.062 . 0 0 "[ . 1 . 2]" 1
1285 1 47 GLU QG 1 48 LYS HB3 . . 4.630 4.039 3.445 4.576 . 0 0 "[ . 1 . 2]" 1
1286 1 47 GLU QG 1 75 ALA MB . . 3.460 2.845 2.270 3.252 . 0 0 "[ . 1 . 2]" 1
1287 1 48 LYS HA 1 78 LEU QD . . 3.630 2.881 1.954 3.599 . 0 0 "[ . 1 . 2]" 1
1288 1 48 LYS HB3 1 49 GLY QA . . 4.560 3.923 3.521 4.378 . 0 0 "[ . 1 . 2]" 1
1289 1 48 LYS QG 1 78 LEU QD . . 3.510 2.733 1.748 3.491 . 0 0 "[ . 1 . 2]" 1
1290 1 48 LYS QD 1 78 LEU QD . . 3.630 2.359 1.779 3.574 . 0 0 "[ . 1 . 2]" 1
1291 1 51 GLU H 1 51 GLU QB . . 3.580 2.540 2.221 3.018 . 0 0 "[ . 1 . 2]" 1
1292 1 51 GLU H 1 51 GLU QG . . 4.260 3.419 2.097 4.246 . 0 0 "[ . 1 . 2]" 1
1293 1 51 GLU QB 1 52 GLY H . . 4.240 3.189 2.129 4.020 . 0 0 "[ . 1 . 2]" 1
1294 1 51 GLU QB 1 52 GLY QA . . 5.110 3.845 3.517 4.288 . 0 0 "[ . 1 . 2]" 1
1295 1 52 GLY QA 1 53 PRO QG . . 4.260 3.685 3.646 3.699 . 0 0 "[ . 1 . 2]" 1
1296 1 52 GLY QA 1 53 PRO QD . . 2.670 1.988 1.864 2.034 . 0 0 "[ . 1 . 2]" 1
1297 1 53 PRO HA 1 56 VAL QG . . 3.900 2.999 1.860 3.858 . 0 0 "[ . 1 . 2]" 1
1298 1 54 SER QB 1 55 SER H . . 4.340 3.261 2.300 4.050 . 0 0 "[ . 1 . 2]" 1
1299 1 55 SER HA 1 56 VAL QG . . 4.980 4.658 4.101 4.833 . 0 0 "[ . 1 . 2]" 1
1300 1 55 SER QB 1 56 VAL QG . . 4.150 3.663 2.913 4.047 . 0 0 "[ . 1 . 2]" 1
1301 1 56 VAL H 1 56 VAL QG . . 2.990 2.113 1.872 2.793 . 0 0 "[ . 1 . 2]" 1
1302 1 56 VAL QG 1 57 ARG H . . 3.210 2.219 1.894 2.554 . 0 0 "[ . 1 . 2]" 1
1303 1 56 VAL QG 1 57 ARG HA . . 4.610 3.526 3.335 3.827 . 0 0 "[ . 1 . 2]" 1
1304 1 56 VAL QG 1 58 PHE H . . 5.180 4.610 4.438 4.901 . 0 0 "[ . 1 . 2]" 1
1305 1 56 VAL QG 1 58 PHE QE . . 3.350 2.305 1.975 2.782 . 0 0 "[ . 1 . 2]" 1
1306 1 56 VAL QG 1 58 PHE HZ . . 4.180 3.480 2.818 3.937 . 0 0 "[ . 1 . 2]" 1
1307 1 57 ARG H 1 57 ARG QG . . 3.890 3.218 2.789 3.869 . 0 0 "[ . 1 . 2]" 1
1308 1 57 ARG QG 1 58 PHE H . . 4.090 3.735 3.340 4.091 0.001 2 0 "[ . 1 . 2]" 1
1309 1 60 LYS HA 1 60 LYS QG . . 3.460 2.356 2.160 2.429 . 0 0 "[ . 1 . 2]" 1
1310 1 60 LYS QE 1 60 LYS QG . . 3.410 2.142 2.028 2.290 . 0 0 "[ . 1 . 2]" 1
1311 1 60 LYS QG 1 61 THR H . . 4.060 3.923 3.538 4.054 . 0 0 "[ . 1 . 2]" 1
1312 1 61 THR MG 1 81 VAL QG . . 4.830 3.990 3.545 4.289 . 0 0 "[ . 1 . 2]" 1
1313 1 62 SER QB 1 63 GLU H . . 4.160 3.770 2.636 4.057 . 0 0 "[ . 1 . 2]" 1
1314 1 63 GLU H 1 63 GLU QB . . 3.340 2.687 2.159 3.245 . 0 0 "[ . 1 . 2]" 1
1315 1 63 GLU QB 1 64 ASN H . . 3.340 2.302 1.998 2.536 . 0 0 "[ . 1 . 2]" 1
1316 1 63 GLU QB 1 65 ARG H . . 3.660 2.664 2.321 3.324 . 0 0 "[ . 1 . 2]" 1
1317 1 63 GLU QB 1 65 ARG QG . . 3.410 2.449 2.119 3.120 . 0 0 "[ . 1 . 2]" 1
1318 1 64 ASN H 1 64 ASN QB . . 3.500 2.588 2.379 2.770 . 0 0 "[ . 1 . 2]" 1
1319 1 67 GLU H 1 67 GLU QB . . 3.010 2.551 2.392 2.653 . 0 0 "[ . 1 . 2]" 1
1320 1 67 GLU H 1 67 GLU QG . . 4.120 4.077 3.994 4.141 0.021 20 0 "[ . 1 . 2]" 1
1321 1 67 GLU QB 1 69 ARG QD . . 4.530 4.189 2.763 4.489 . 0 0 "[ . 1 . 2]" 1
1322 1 67 GLU QG 1 68 LEU H . . 3.830 3.030 2.370 3.405 . 0 0 "[ . 1 . 2]" 1
1323 1 67 GLU QG 1 69 ARG QG . . 4.060 2.704 2.197 3.348 . 0 0 "[ . 1 . 2]" 1
1324 1 68 LEU HA 1 71 LEU QD . . 4.860 3.940 3.738 4.402 . 0 0 "[ . 1 . 2]" 1
1325 1 68 LEU HB2 1 71 LEU QD . . 3.370 2.125 1.962 2.689 . 0 0 "[ . 1 . 2]" 1
1326 1 68 LEU HB3 1 71 LEU QD . . 3.250 2.309 1.970 2.907 . 0 0 "[ . 1 . 2]" 1
1327 1 68 LEU HG 1 71 LEU QD . . 5.220 4.017 3.638 4.334 . 0 0 "[ . 1 . 2]" 1
1328 1 68 LEU MD1 1 79 VAL QG . . 3.590 2.481 2.094 3.192 . 0 0 "[ . 1 . 2]" 1
1329 1 69 ARG H 1 69 ARG QB . . 3.180 2.499 2.266 2.731 . 0 0 "[ . 1 . 2]" 1
1330 1 69 ARG QB 1 69 ARG QD . . 3.050 2.257 2.095 2.466 . 0 0 "[ . 1 . 2]" 1
1331 1 69 ARG QB 1 70 GLY H . . 3.440 2.705 2.156 3.024 . 0 0 "[ . 1 . 2]" 1
1332 1 71 LEU H 1 71 LEU QD . . 3.700 3.583 3.431 3.691 . 0 0 "[ . 1 . 2]" 1
1333 1 71 LEU HA 1 71 LEU QD . . 2.890 2.401 2.135 2.604 . 0 0 "[ . 1 . 2]" 1
1334 1 71 LEU HB2 1 71 LEU QD . . 2.900 2.130 2.000 2.232 . 0 0 "[ . 1 . 2]" 1
1335 1 71 LEU QD 1 72 LYS H . . 3.830 3.312 3.050 3.717 . 0 0 "[ . 1 . 2]" 1
1336 1 71 LEU QD 1 77 TYR QD . . 4.370 3.459 2.808 3.895 . 0 0 "[ . 1 . 2]" 1
1337 1 71 LEU QD 1 77 TYR QE . . 3.970 2.969 2.062 3.634 . 0 0 "[ . 1 . 2]" 1
1338 1 71 LEU QD 1 100 THR MG . . 4.430 3.995 3.571 4.304 . 0 0 "[ . 1 . 2]" 1
1339 1 72 LYS H 1 72 LYS QB . . 3.100 2.393 2.196 2.555 . 0 0 "[ . 1 . 2]" 1
1340 1 72 LYS H 1 72 LYS QG . . 3.710 2.939 2.293 3.373 . 0 0 "[ . 1 . 2]" 1
1341 1 72 LYS QB 1 73 ARG H . . 4.170 3.346 2.110 3.871 . 0 0 "[ . 1 . 2]" 1
1342 1 72 LYS QB 1 75 ALA H . . 4.180 3.466 2.349 4.170 . 0 0 "[ . 1 . 2]" 1
1343 1 72 LYS QB 1 75 ALA MB . . 2.960 2.289 1.842 2.704 . 0 0 "[ . 1 . 2]" 1
1344 1 72 LYS QB 1 77 TYR QE . . 4.260 2.497 1.994 3.179 . 0 0 "[ . 1 . 2]" 1
1345 1 72 LYS QG 1 75 ALA MB . . 4.510 3.738 2.578 4.502 . 0 0 "[ . 1 . 2]" 1
1346 1 73 ARG H 1 73 ARG QG . . 4.560 2.839 1.938 3.990 . 0 0 "[ . 1 . 2]" 1
1347 1 73 ARG H 1 74 GLY QA . . 5.340 4.889 4.281 5.352 0.012 6 0 "[ . 1 . 2]" 1
1348 1 73 ARG HA 1 73 ARG QG . . 3.580 3.071 2.270 3.439 . 0 0 "[ . 1 . 2]" 1
1349 1 74 GLY QA 1 102 LEU QB . . 5.340 4.608 1.956 5.341 0.001 8 0 "[ . 1 . 2]" 1
1350 1 74 GLY QA 1 102 LEU HG . . 4.570 3.708 2.995 4.534 . 0 0 "[ . 1 . 2]" 1
1351 1 74 GLY QA 1 102 LEU QD . . 4.140 2.586 1.865 4.039 . 0 0 "[ . 1 . 2]" 1
1352 1 77 TYR QB 1 79 VAL QG . . 3.730 2.953 2.638 3.721 . 0 0 "[ . 1 . 2]" 1
1353 1 77 TYR QD 1 79 VAL QG . . 4.780 4.180 3.758 4.782 0.002 20 0 "[ . 1 . 2]" 1
1354 1 78 LEU HA 1 78 LEU QD . . 3.430 2.227 1.960 3.060 . 0 0 "[ . 1 . 2]" 1
1355 1 78 LEU HA 1 79 VAL QG . . 4.210 3.768 3.503 3.922 . 0 0 "[ . 1 . 2]" 1
1356 1 78 LEU HB3 1 95 GLU QB . . 4.400 3.647 3.200 4.271 . 0 0 "[ . 1 . 2]" 1
1357 1 78 LEU QD 1 95 GLU QB . . 4.020 2.795 2.075 3.349 . 0 0 "[ . 1 . 2]" 1
1358 1 78 LEU QD 1 95 GLU QG . . 4.120 3.526 2.506 4.117 . 0 0 "[ . 1 . 2]" 1
1359 1 78 LEU QD 1 97 HIS HA . . 3.810 3.413 2.727 3.813 0.003 20 0 "[ . 1 . 2]" 1
1360 1 78 LEU QD 1 97 HIS QB . . 3.990 3.616 2.087 3.989 . 0 0 "[ . 1 . 2]" 1
1361 1 78 LEU QD 1 97 HIS HD2 . . 3.990 2.598 2.074 3.988 . 0 0 "[ . 1 . 2]" 1
1362 1 79 VAL H 1 79 VAL QG . . 3.620 2.350 1.852 2.610 . 0 0 "[ . 1 . 2]" 1
1363 1 79 VAL H 1 96 HIS QB . . 4.630 3.671 2.668 4.042 . 0 0 "[ . 1 . 2]" 1
1364 1 79 VAL HB 1 96 HIS QB . . 4.210 3.331 2.645 4.261 0.051 20 0 "[ . 1 . 2]" 1
1365 1 79 VAL QG 1 80 GLN H . . 3.240 2.270 1.956 2.605 . 0 0 "[ . 1 . 2]" 1
1366 1 79 VAL QG 1 80 GLN HA . . 4.560 3.472 3.233 3.706 . 0 0 "[ . 1 . 2]" 1
1367 1 79 VAL QG 1 81 VAL H . . 4.200 3.857 3.690 4.033 . 0 0 "[ . 1 . 2]" 1
1368 1 79 VAL QG 1 81 VAL QG . . 3.270 2.535 2.388 2.664 . 0 0 "[ . 1 . 2]" 1
1369 1 79 VAL QG 1 96 HIS QB . . 4.460 3.410 1.757 4.008 . 0 0 "[ . 1 . 2]" 1
1370 1 80 GLN H 1 80 GLN QB . . 3.640 2.576 2.451 2.705 . 0 0 "[ . 1 . 2]" 1
1371 1 80 GLN H 1 80 GLN QG . . 4.160 3.408 2.928 3.977 . 0 0 "[ . 1 . 2]" 1
1372 1 80 GLN H 1 81 VAL QG . . 4.560 3.998 3.734 4.275 . 0 0 "[ . 1 . 2]" 1
1373 1 80 GLN HA 1 80 GLN QG . . 3.660 2.346 2.183 2.506 . 0 0 "[ . 1 . 2]" 1
1374 1 80 GLN QB 1 92 PHE QB . . 3.650 2.677 2.120 3.073 . 0 0 "[ . 1 . 2]" 1
1375 1 80 GLN QB 1 92 PHE QD . . 4.030 2.349 1.975 2.615 . 0 0 "[ . 1 . 2]" 1
1376 1 80 GLN QB 1 92 PHE QE . . 4.760 3.239 3.043 3.589 . 0 0 "[ . 1 . 2]" 1
1377 1 80 GLN QB 1 95 GLU HA . . 5.270 4.307 3.734 4.670 . 0 0 "[ . 1 . 2]" 1
1378 1 80 GLN QG 1 92 PHE QB . . 4.530 3.373 2.702 4.389 . 0 0 "[ . 1 . 2]" 1
1379 1 80 GLN QG 1 92 PHE QD . . 5.110 4.067 3.635 4.568 . 0 0 "[ . 1 . 2]" 1
1380 1 80 GLN QG 1 95 GLU HA . . 3.430 2.362 1.965 2.777 . 0 0 "[ . 1 . 2]" 1
1381 1 81 VAL H 1 81 VAL QG . . 4.170 2.553 2.391 2.731 . 0 0 "[ . 1 . 2]" 1
1382 1 81 VAL QG 1 82 ARG H . . 3.400 2.245 1.938 2.664 . 0 0 "[ . 1 . 2]" 1
1383 1 82 ARG H 1 82 ARG QG . . 3.760 2.431 2.332 2.554 . 0 0 "[ . 1 . 2]" 1
1384 1 82 ARG QG 1 89 TYR QD . . 4.090 3.248 2.545 3.678 . 0 0 "[ . 1 . 2]" 1
1385 1 82 ARG QG 1 89 TYR QE . . 4.370 3.721 3.413 4.340 . 0 0 "[ . 1 . 2]" 1
1386 1 82 ARG QG 1 92 PHE QE . . 4.180 2.669 2.103 3.189 . 0 0 "[ . 1 . 2]" 1
1387 1 82 ARG QG 1 92 PHE HZ . . 5.310 3.473 3.040 3.888 . 0 0 "[ . 1 . 2]" 1
1388 1 82 ARG QD 1 89 TYR HB2 . . 4.930 4.548 4.012 4.875 . 0 0 "[ . 1 . 2]" 1
1389 1 82 ARG QD 1 89 TYR HB3 . . 4.020 3.035 2.418 3.334 . 0 0 "[ . 1 . 2]" 1
1390 1 82 ARG QD 1 92 PHE QE . . 4.740 3.570 2.750 4.250 . 0 0 "[ . 1 . 2]" 1
1391 1 83 ALA HA 1 84 ARG QB . . 5.060 3.974 3.915 4.106 . 0 0 "[ . 1 . 2]" 1
1392 1 84 ARG H 1 84 ARG QB . . 3.370 2.602 2.424 2.986 . 0 0 "[ . 1 . 2]" 1
1393 1 84 ARG HA 1 84 ARG QG . . 3.650 2.694 2.314 3.437 . 0 0 "[ . 1 . 2]" 1
1394 1 84 ARG QB 1 84 ARG HE . . 4.390 3.430 2.052 4.332 . 0 0 "[ . 1 . 2]" 1
1395 1 84 ARG QB 1 85 SER HA . . 5.340 4.558 4.380 4.737 . 0 0 "[ . 1 . 2]" 1
1396 1 84 ARG QB 1 89 TYR QD . . 4.780 2.755 2.223 3.406 . 0 0 "[ . 1 . 2]" 1
1397 1 84 ARG QB 1 89 TYR QE . . 3.920 2.946 2.225 3.457 . 0 0 "[ . 1 . 2]" 1
1398 1 84 ARG QG 1 85 SER H . . 3.990 2.644 2.070 3.810 . 0 0 "[ . 1 . 2]" 1
1399 1 84 ARG QD 1 89 TYR QE . . 4.600 3.264 2.254 4.311 . 0 0 "[ . 1 . 2]" 1
1400 1 85 SER QB 1 86 GLU H . . 3.470 2.733 1.997 3.344 . 0 0 "[ . 1 . 2]" 1
1401 1 85 SER QB 1 87 ALA H . . 4.260 2.977 2.249 3.740 . 0 0 "[ . 1 . 2]" 1
1402 1 88 GLY QA 1 89 TYR H . . 2.890 2.249 2.148 2.283 . 0 0 "[ . 1 . 2]" 1
1403 1 88 GLY QA 1 89 TYR QD . . 5.340 4.060 3.355 4.689 . 0 0 "[ . 1 . 2]" 1
1404 1 91 PRO QB 1 92 PHE H . . 3.610 2.984 2.601 3.343 . 0 0 "[ . 1 . 2]" 1
1405 1 92 PHE H 1 92 PHE QB . . 3.210 2.229 2.162 2.335 . 0 0 "[ . 1 . 2]" 1
1406 1 95 GLU H 1 95 GLU QB . . 3.280 2.444 2.247 2.640 . 0 0 "[ . 1 . 2]" 1
1407 1 95 GLU H 1 95 GLU QG . . 3.640 2.354 1.884 3.237 . 0 0 "[ . 1 . 2]" 1
1408 1 95 GLU HA 1 95 GLU QG . . 3.510 3.165 2.354 3.379 . 0 0 "[ . 1 . 2]" 1
1409 1 101 GLN QB 1 102 LEU H . . 4.320 3.636 2.285 4.012 . 0 0 "[ . 1 . 2]" 1
1410 1 102 LEU HA 1 102 LEU QD . . 3.320 2.508 1.989 3.308 . 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 1
_Distance_constraint_stats_list.Viol_count 20
_Distance_constraint_stats_list.Viol_total 235.627
_Distance_constraint_stats_list.Viol_max 0.647
_Distance_constraint_stats_list.Viol_rms 0.0562
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5891
_Distance_constraint_stats_list.Viol_average_violations_only 0.5891
_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 92 PHE 11.781 0.647 3 18 "[-*+******* **** ****]"
1 93 GLY 11.781 0.647 3 18 "[-*+******* **** ****]"
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 92 PHE H 1 93 GLY H . . 4.000 4.589 4.448 4.647 0.647 3 18 "[-*+******* **** ****]" 2
stop_
save_
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