NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469627 |
2agh   |
6095 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2agh
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 1354
_Distance_constraint_stats_list.Viol_count 2548
_Distance_constraint_stats_list.Viol_total 2782.900
_Distance_constraint_stats_list.Viol_max 0.780
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0546
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 2.047 0.218 15 0 "[ . 1 . 2]"
1 2 GLU 1.329 0.194 8 0 "[ . 1 . 2]"
1 3 LYS 2.997 0.273 14 0 "[ . 1 . 2]"
1 4 ARG 5.207 0.193 19 0 "[ . 1 . 2]"
1 5 ILE 5.562 0.271 18 0 "[ . 1 . 2]"
1 6 LYS 0.523 0.053 11 0 "[ . 1 . 2]"
1 7 GLU 5.828 0.184 20 0 "[ . 1 . 2]"
1 8 LEU 2.988 0.198 20 0 "[ . 1 . 2]"
1 9 GLU 3.418 0.126 13 0 "[ . 1 . 2]"
1 10 LEU 0.506 0.129 19 0 "[ . 1 . 2]"
1 11 LEU 1.701 0.129 20 0 "[ . 1 . 2]"
1 12 LEU 6.689 0.214 20 0 "[ . 1 . 2]"
1 13 MET 2.323 0.125 12 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 2.621 0.200 15 0 "[ . 1 . 2]"
1 16 GLU 2.258 0.186 6 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.725 0.103 9 0 "[ . 1 . 2]"
1 19 LEU 1.037 0.068 20 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 2.295 0.780 15 2 "[ . - + 2]"
1 22 GLN 2.295 0.780 15 2 "[ . - + 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 VAL 0.239 0.079 14 0 "[ . 1 . 2]"
2 3 ARG 0.600 0.095 18 0 "[ . 1 . 2]"
2 4 LYS 0.910 0.095 18 0 "[ . 1 . 2]"
2 5 GLY 0.721 0.081 4 0 "[ . 1 . 2]"
2 6 TRP 4.200 0.176 11 0 "[ . 1 . 2]"
2 7 HIS 2.475 0.176 11 0 "[ . 1 . 2]"
2 8 GLU 1.175 0.070 3 0 "[ . 1 . 2]"
2 9 HIS 0.667 0.075 3 0 "[ . 1 . 2]"
2 10 VAL 0.559 0.075 3 0 "[ . 1 . 2]"
2 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 GLN 0.866 0.165 12 0 "[ . 1 . 2]"
2 13 ASP 0.240 0.082 10 0 "[ . 1 . 2]"
2 14 LEU 0.964 0.102 12 0 "[ . 1 . 2]"
2 15 ARG 2.723 0.225 17 0 "[ . 1 . 2]"
2 16 SER 3.125 0.165 12 0 "[ . 1 . 2]"
2 17 HIS 2.969 0.136 16 0 "[ . 1 . 2]"
2 18 LEU 3.518 0.112 18 0 "[ . 1 . 2]"
2 19 VAL 0.557 0.061 3 0 "[ . 1 . 2]"
2 20 HIS 2.036 0.118 19 0 "[ . 1 . 2]"
2 21 LYS 2.578 0.093 7 0 "[ . 1 . 2]"
2 22 LEU 5.599 0.154 3 0 "[ . 1 . 2]"
2 23 VAL 0.007 0.004 4 0 "[ . 1 . 2]"
2 24 GLN 2.595 0.252 14 0 "[ . 1 . 2]"
2 25 ALA 3.909 0.108 11 0 "[ . 1 . 2]"
2 26 ILE 1.026 0.119 3 0 "[ . 1 . 2]"
2 27 PHE 6.966 0.162 17 0 "[ . 1 . 2]"
2 28 PRO 0.768 0.071 16 0 "[ . 1 . 2]"
2 29 THR 1.042 0.177 13 0 "[ . 1 . 2]"
2 30 PRO 3.312 0.177 13 0 "[ . 1 . 2]"
2 31 ASP 4.784 0.182 17 0 "[ . 1 . 2]"
2 32 PRO 3.382 0.182 17 0 "[ . 1 . 2]"
2 33 ALA 0.160 0.039 13 0 "[ . 1 . 2]"
2 34 ALA 2.796 0.164 5 0 "[ . 1 . 2]"
2 35 LEU 1.872 0.106 15 0 "[ . 1 . 2]"
2 36 LYS 0.730 0.074 8 0 "[ . 1 . 2]"
2 37 ASP 0.236 0.061 5 0 "[ . 1 . 2]"
2 38 ARG 1.315 0.222 11 0 "[ . 1 . 2]"
2 39 ARG 1.284 0.222 11 0 "[ . 1 . 2]"
2 40 MET 3.226 0.162 17 0 "[ . 1 . 2]"
2 41 GLU 3.660 0.170 19 0 "[ . 1 . 2]"
2 42 ASN 1.476 0.083 11 0 "[ . 1 . 2]"
2 43 LEU 2.510 0.138 8 0 "[ . 1 . 2]"
2 44 VAL 3.635 0.117 13 0 "[ . 1 . 2]"
2 45 ALA 2.668 0.160 15 0 "[ . 1 . 2]"
2 46 TYR 7.673 0.202 15 0 "[ . 1 . 2]"
2 47 ALA 0.316 0.059 14 0 "[ . 1 . 2]"
2 48 LYS 3.248 0.160 15 0 "[ . 1 . 2]"
2 49 LYS 0.382 0.061 3 0 "[ . 1 . 2]"
2 50 VAL 0.023 0.023 15 0 "[ . 1 . 2]"
2 51 GLU 0.636 0.069 5 0 "[ . 1 . 2]"
2 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 ASP 2.034 0.110 19 0 "[ . 1 . 2]"
2 54 MET 4.438 0.110 6 0 "[ . 1 . 2]"
2 55 TYR 2.836 0.136 20 0 "[ . 1 . 2]"
2 56 GLU 1.135 0.070 8 0 "[ . 1 . 2]"
2 57 SER 2.360 0.149 13 0 "[ . 1 . 2]"
2 58 ALA 0.967 0.108 13 0 "[ . 1 . 2]"
2 59 ASN 1.435 0.108 13 0 "[ . 1 . 2]"
2 60 SER 0.132 0.049 15 0 "[ . 1 . 2]"
2 61 ARG 0.874 0.129 7 0 "[ . 1 . 2]"
2 62 ASP 0.996 0.129 7 0 "[ . 1 . 2]"
2 63 GLU 0.200 0.035 18 0 "[ . 1 . 2]"
2 64 TYR 1.453 0.127 4 0 "[ . 1 . 2]"
2 65 TYR 7.193 0.200 15 0 "[ . 1 . 2]"
2 66 HIS 0.918 0.081 17 0 "[ . 1 . 2]"
2 67 LEU 0.114 0.032 19 0 "[ . 1 . 2]"
2 68 LEU 0.725 0.065 5 0 "[ . 1 . 2]"
2 69 ALA 4.044 0.136 7 0 "[ . 1 . 2]"
2 70 GLU 0.184 0.034 14 0 "[ . 1 . 2]"
2 71 LYS 3.605 0.186 15 0 "[ . 1 . 2]"
2 72 ILE 4.521 0.214 20 0 "[ . 1 . 2]"
2 73 TYR 6.471 0.252 16 0 "[ . 1 . 2]"
2 74 LYS 1.974 0.186 15 0 "[ . 1 . 2]"
2 75 ILE 3.856 0.166 16 0 "[ . 1 . 2]"
2 76 GLN 3.060 0.132 14 0 "[ . 1 . 2]"
2 77 LYS 3.556 0.271 18 0 "[ . 1 . 2]"
2 78 GLU 1.278 0.259 16 0 "[ . 1 . 2]"
2 79 LEU 2.454 0.092 7 0 "[ . 1 . 2]"
2 80 GLU 1.765 0.121 4 0 "[ . 1 . 2]"
2 81 GLU 2.447 0.152 19 0 "[ . 1 . 2]"
2 82 LYS 1.697 0.092 6 0 "[ . 1 . 2]"
2 83 ARG 1.041 0.124 13 0 "[ . 1 . 2]"
2 84 ARG 1.153 0.119 9 0 "[ . 1 . 2]"
2 85 SER 0.896 0.105 20 0 "[ . 1 . 2]"
2 86 ARG 0.390 0.081 6 0 "[ . 1 . 2]"
2 87 LEU 0.429 0.105 20 0 "[ . 1 . 2]"
3 4 GLY 0.289 0.084 20 0 "[ . 1 . 2]"
3 5 ASN 0.289 0.084 20 0 "[ . 1 . 2]"
3 6 ILE 3.204 0.180 19 0 "[ . 1 . 2]"
3 7 LEU 3.069 0.145 12 0 "[ . 1 . 2]"
3 8 PRO 4.516 0.202 15 0 "[ . 1 . 2]"
3 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
3 10 ASP 0.121 0.034 19 0 "[ . 1 . 2]"
3 11 ILE 1.588 0.138 8 0 "[ . 1 . 2]"
3 12 MET 0.842 0.050 9 0 "[ . 1 . 2]"
3 13 ASP 0.435 0.055 15 0 "[ . 1 . 2]"
3 14 PHE 0.181 0.039 3 0 "[ . 1 . 2]"
3 15 VAL 5.813 0.145 12 0 "[ . 1 . 2]"
3 16 LEU 1.628 0.124 13 0 "[ . 1 . 2]"
3 17 LYS 1.971 0.200 11 0 "[ . 1 . 2]"
3 18 ASN 2.448 0.188 17 0 "[ . 1 . 2]"
3 19 THR 0.730 0.081 19 0 "[ . 1 . 2]"
3 20 PRO 0.050 0.050 18 0 "[ . 1 . 2]"
3 22 MET 0.000 0.000 . 0 "[ . 1 . 2]"
3 23 GLN 0.507 0.076 12 0 "[ . 1 . 2]"
3 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 26 GLY 3.471 0.276 2 0 "[ . 1 . 2]"
3 27 GLU 0.404 0.104 3 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 1 LYS HA 1 1 LYS HE2 . . 5.500 4.871 3.150 5.718 0.218 15 0 "[ . 1 . 2]" 1
2 1 1 LYS HA 1 1 LYS HG2 . . 4.500 3.151 2.336 3.851 . 0 0 "[ . 1 . 2]" 1
3 1 1 LYS HA 1 1 LYS HG3 . . 4.500 3.367 2.370 4.003 . 0 0 "[ . 1 . 2]" 1
4 1 1 LYS HA 1 5 ILE MD . . 4.500 4.270 3.164 4.577 0.077 13 0 "[ . 1 . 2]" 1
5 1 1 LYS HB2 1 2 GLU HA . . 4.500 4.509 4.187 4.694 0.194 8 0 "[ . 1 . 2]" 1
6 1 1 LYS HE2 1 5 ILE MD . . 5.500 4.253 2.015 5.538 0.038 20 0 "[ . 1 . 2]" 1
7 1 1 LYS HG3 1 5 ILE MD . . 4.500 4.218 3.248 4.553 0.053 16 0 "[ . 1 . 2]" 1
8 1 2 GLU HA 1 3 LYS H . . 4.500 3.544 2.884 3.659 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLU HA 1 5 ILE HB . . 4.500 2.997 2.392 4.581 0.081 8 0 "[ . 1 . 2]" 1
10 1 2 GLU HA 1 5 ILE MD . . 5.500 4.740 3.901 5.611 0.111 15 0 "[ . 1 . 2]" 1
11 1 3 LYS H 1 4 ARG H . . 3.500 2.977 2.779 3.230 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS HA 1 3 LYS HB2 . . 2.700 2.540 2.409 2.973 0.273 14 0 "[ . 1 . 2]" 1
13 1 3 LYS HA 1 4 ARG H . . 4.500 3.575 3.493 3.632 . 0 0 "[ . 1 . 2]" 1
14 1 3 LYS HA 1 7 GLU HB3 . . 5.500 5.571 5.527 5.608 0.108 15 0 "[ . 1 . 2]" 1
15 1 3 LYS HB2 1 3 LYS HE2 . . 4.500 4.079 2.270 4.630 0.130 18 0 "[ . 1 . 2]" 1
16 1 3 LYS HE2 1 3 LYS HG2 . . 3.500 2.861 2.330 3.595 0.095 20 0 "[ . 1 . 2]" 1
17 1 4 ARG H 1 5 ILE H . . 3.500 2.727 2.490 2.891 . 0 0 "[ . 1 . 2]" 1
18 1 4 ARG HA 1 4 ARG HG2 . . 4.500 3.034 2.294 4.236 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG HA 1 4 ARG HG3 . . 3.500 3.491 2.544 3.693 0.193 19 0 "[ . 1 . 2]" 1
20 1 4 ARG HA 1 5 ILE H . . 4.500 3.530 3.426 3.588 . 0 0 "[ . 1 . 2]" 1
21 1 4 ARG HA 1 7 GLU H . . 4.500 3.273 3.055 3.408 . 0 0 "[ . 1 . 2]" 1
22 1 4 ARG HA 1 7 GLU HB2 . . 2.700 2.754 2.701 2.791 0.091 8 0 "[ . 1 . 2]" 1
23 1 4 ARG HA 1 7 GLU HG2 . . 4.500 4.203 3.621 4.360 . 0 0 "[ . 1 . 2]" 1
24 1 4 ARG HA 1 7 GLU HG3 . . 4.500 4.612 4.524 4.684 0.184 20 0 "[ . 1 . 2]" 1
25 1 4 ARG QD 2 73 TYR QE . . 5.500 4.478 3.018 5.200 . 0 0 "[ . 1 . 2]" 1
26 1 4 ARG HD3 2 73 TYR QD . . 5.500 5.494 5.275 5.627 0.127 14 0 "[ . 1 . 2]" 1
27 1 4 ARG HD3 2 73 TYR QE . . 5.500 4.822 3.158 5.544 0.044 6 0 "[ . 1 . 2]" 1
28 1 5 ILE H 1 5 ILE HB . . 3.500 2.467 2.275 2.764 . 0 0 "[ . 1 . 2]" 1
29 1 5 ILE H 1 6 LYS H . . 3.500 2.807 2.562 2.992 . 0 0 "[ . 1 . 2]" 1
30 1 5 ILE HA 1 5 ILE MD . . 3.500 2.147 2.044 2.238 . 0 0 "[ . 1 . 2]" 1
31 1 5 ILE HA 1 5 ILE MG . . 3.500 2.478 2.281 2.751 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE HA 1 6 LYS H . . 4.500 3.603 3.582 3.616 . 0 0 "[ . 1 . 2]" 1
33 1 5 ILE HA 1 8 LEU H . . 4.500 3.835 3.541 4.027 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE HA 1 8 LEU HB3 . . 3.500 3.365 2.859 3.585 0.085 7 0 "[ . 1 . 2]" 1
35 1 5 ILE HA 1 9 GLU H . . 5.500 4.323 4.067 4.713 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE HA 2 73 TYR QE . . 5.500 2.964 1.954 3.642 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 2 77 LYS HD2 . . 5.500 5.355 4.407 5.771 0.271 18 0 "[ . 1 . 2]" 1
38 1 5 ILE HB 2 73 TYR QE . . 5.500 4.674 4.407 5.182 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE MD 1 5 ILE MG . . 2.700 2.310 2.094 2.673 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE MD 1 8 LEU HB3 . . 4.500 4.496 4.247 4.698 0.198 20 0 "[ . 1 . 2]" 1
41 1 5 ILE MD 2 73 TYR QD . . 3.500 3.432 2.894 3.615 0.115 3 0 "[ . 1 . 2]" 1
42 1 5 ILE MD 2 73 TYR QE . . 4.500 2.157 1.957 2.672 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE HG12 2 73 TYR QE . . 4.500 4.393 3.329 4.649 0.149 16 0 "[ . 1 . 2]" 1
44 1 5 ILE HG13 2 73 TYR QE . . 4.500 4.068 3.061 4.730 0.230 18 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS QB . . 3.500 2.242 2.201 2.318 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 7 GLU H . . 3.500 2.681 2.517 2.805 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS HA 1 9 GLU H . . 4.500 3.488 3.406 3.641 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS HA 1 9 GLU HB2 . . 3.500 3.521 3.404 3.553 0.053 11 0 "[ . 1 . 2]" 1
49 1 6 LYS HA 1 9 GLU HB3 . . 3.500 2.659 2.365 2.921 . 0 0 "[ . 1 . 2]" 1
50 1 7 GLU H 1 8 LEU H . . 3.500 3.003 2.951 3.073 . 0 0 "[ . 1 . 2]" 1
51 1 7 GLU H 1 9 GLU H . . 5.500 4.327 4.156 4.422 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU HA 1 7 GLU HG2 . . 3.500 3.137 3.023 3.656 0.156 19 0 "[ . 1 . 2]" 1
53 1 7 GLU HA 1 7 GLU HG3 . . 2.700 2.546 2.407 2.782 0.082 3 0 "[ . 1 . 2]" 1
54 1 7 GLU HA 1 10 LEU HB2 . . 4.500 3.861 2.279 4.337 . 0 0 "[ . 1 . 2]" 1
55 1 7 GLU HA 1 10 LEU HB3 . . 3.500 2.841 2.435 3.629 0.129 19 0 "[ . 1 . 2]" 1
56 1 7 GLU HA 1 10 LEU QD . . 3.500 3.314 2.614 3.517 0.017 7 0 "[ . 1 . 2]" 1
57 1 7 GLU HA 1 11 LEU HG . . 4.500 4.414 4.008 4.629 0.129 20 0 "[ . 1 . 2]" 1
58 1 8 LEU H 1 8 LEU HB2 . . 3.500 2.438 2.345 2.587 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU H 1 8 LEU HB3 . . 3.500 2.504 2.371 2.649 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU H 1 8 LEU MD1 . . 4.500 4.106 3.951 4.363 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU H 1 9 GLU H . . 3.500 2.770 2.622 2.841 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU H 1 10 LEU H . . 5.500 4.302 4.147 4.410 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU HA 1 8 LEU MD1 . . 3.500 2.434 2.179 3.541 0.041 1 0 "[ . 1 . 2]" 1
64 1 8 LEU HA 1 8 LEU MD2 . . 4.500 3.837 3.426 3.941 . 0 0 "[ . 1 . 2]" 1
65 1 8 LEU HA 1 8 LEU HG . . 3.500 2.829 2.338 3.116 . 0 0 "[ . 1 . 2]" 1
66 1 8 LEU HA 1 9 GLU H . . 4.500 3.585 3.567 3.621 . 0 0 "[ . 1 . 2]" 1
67 1 8 LEU HA 1 11 LEU H . . 4.500 3.547 3.113 3.821 . 0 0 "[ . 1 . 2]" 1
68 1 8 LEU HA 1 11 LEU HB2 . . 3.500 2.973 2.511 3.321 . 0 0 "[ . 1 . 2]" 1
69 1 8 LEU HA 1 11 LEU HB3 . . 4.500 4.406 3.914 4.580 0.080 13 0 "[ . 1 . 2]" 1
70 1 8 LEU HB3 2 73 TYR QE . . 5.500 4.301 2.049 5.211 . 0 0 "[ . 1 . 2]" 1
71 1 8 LEU MD1 2 25 ALA HA . . 5.500 4.519 3.935 5.350 . 0 0 "[ . 1 . 2]" 1
72 1 8 LEU MD1 2 25 ALA MB . . 3.500 3.032 2.221 3.564 0.064 10 0 "[ . 1 . 2]" 1
73 1 8 LEU MD1 2 73 TYR HA . . 5.500 4.137 2.240 4.769 . 0 0 "[ . 1 . 2]" 1
74 1 8 LEU MD2 1 9 GLU HA . . 4.500 4.320 2.586 4.582 0.082 4 0 "[ . 1 . 2]" 1
75 1 8 LEU MD2 2 72 ILE HB . . 4.500 4.196 2.837 4.524 0.024 5 0 "[ . 1 . 2]" 1
76 1 8 LEU MD2 2 72 ILE MD . . 5.500 4.626 3.774 5.107 . 0 0 "[ . 1 . 2]" 1
77 1 8 LEU MD2 2 72 ILE MG . . 3.500 2.326 1.979 2.632 . 0 0 "[ . 1 . 2]" 1
78 1 8 LEU MD2 2 73 TYR HA . . 3.500 2.224 2.016 3.069 . 0 0 "[ . 1 . 2]" 1
79 1 8 LEU MD2 2 73 TYR QD . . 3.500 2.312 2.028 2.881 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU MD2 2 73 TYR QE . . 4.500 3.772 2.825 4.224 . 0 0 "[ . 1 . 2]" 1
81 1 9 GLU H 1 9 GLU HB2 . . 3.500 2.420 2.320 2.584 . 0 0 "[ . 1 . 2]" 1
82 1 9 GLU H 1 9 GLU HB3 . . 3.500 2.537 2.390 2.775 . 0 0 "[ . 1 . 2]" 1
83 1 9 GLU H 1 10 LEU H . . 3.500 2.719 2.644 2.796 . 0 0 "[ . 1 . 2]" 1
84 1 9 GLU HA 1 10 LEU H . . 4.500 3.575 3.553 3.587 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLU HA 1 11 LEU H . . 5.500 4.375 4.180 4.604 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLU HA 1 12 LEU H . . 4.500 4.303 3.811 4.537 0.037 14 0 "[ . 1 . 2]" 1
87 1 9 GLU HA 1 12 LEU HB2 . . 4.500 4.346 3.504 4.603 0.103 3 0 "[ . 1 . 2]" 1
88 1 9 GLU HA 1 12 LEU MD1 . . 4.500 4.183 3.467 4.520 0.020 13 0 "[ . 1 . 2]" 1
89 1 9 GLU HA 2 69 ALA MB . . 3.500 2.295 2.057 2.864 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLU HA 2 73 TYR QD . . 5.500 5.243 4.197 5.534 0.034 10 0 "[ . 1 . 2]" 1
91 1 9 GLU HB2 2 69 ALA MB . . 5.500 3.766 2.887 4.522 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLU HB2 2 73 TYR QD . . 5.500 4.376 3.687 4.866 . 0 0 "[ . 1 . 2]" 1
93 1 9 GLU HB2 2 73 TYR QE . . 5.500 5.478 3.753 5.626 0.126 13 0 "[ . 1 . 2]" 1
94 1 9 GLU HB3 2 69 ALA MB . . 5.500 4.364 4.014 5.300 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLU HG2 2 69 ALA MB . . 5.500 3.125 2.413 4.383 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLU HG3 2 69 ALA MB . . 3.500 2.364 2.120 3.301 . 0 0 "[ . 1 . 2]" 1
97 1 10 LEU HA 1 11 LEU H . . 4.500 3.555 3.527 3.592 . 0 0 "[ . 1 . 2]" 1
98 1 10 LEU HA 1 13 MET H . . 4.500 3.216 2.820 3.698 . 0 0 "[ . 1 . 2]" 1
99 1 10 LEU HA 1 13 MET ME . . 3.500 3.165 2.131 3.573 0.073 2 0 "[ . 1 . 2]" 1
100 1 11 LEU H 1 11 LEU HB2 . . 2.700 2.293 2.064 2.536 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU H 1 12 LEU H . . 3.500 2.968 2.816 3.062 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU H 1 13 MET H . . 5.500 4.368 3.988 4.661 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU HA 1 11 LEU HG . . 3.500 2.793 2.479 3.203 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU HA 1 12 LEU H . . 4.500 3.565 3.527 3.593 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU HB3 1 12 LEU H . . 3.500 3.347 2.894 3.563 0.063 4 0 "[ . 1 . 2]" 1
106 1 11 LEU QD 2 21 LYS QG . . 5.500 3.940 3.368 4.697 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU QD 2 25 ALA HA . . 5.500 5.475 5.007 5.559 0.059 20 0 "[ . 1 . 2]" 1
108 1 11 LEU QD 2 25 ALA MB . . 5.500 4.130 3.868 4.382 . 0 0 "[ . 1 . 2]" 1
109 1 12 LEU H 1 12 LEU HG . . 3.500 2.915 2.610 3.244 . 0 0 "[ . 1 . 2]" 1
110 1 12 LEU H 1 13 MET H . . 3.500 2.645 2.505 2.817 . 0 0 "[ . 1 . 2]" 1
111 1 12 LEU HA 1 12 LEU MD1 . . 4.500 3.802 3.762 3.859 . 0 0 "[ . 1 . 2]" 1
112 1 12 LEU HA 1 12 LEU MD2 . . 2.700 2.185 2.121 2.250 . 0 0 "[ . 1 . 2]" 1
113 1 12 LEU HA 1 13 MET H . . 4.500 3.574 3.479 3.621 . 0 0 "[ . 1 . 2]" 1
114 1 12 LEU HA 2 69 ALA MB . . 5.500 5.380 5.145 5.559 0.059 18 0 "[ . 1 . 2]" 1
115 1 12 LEU HB2 2 69 ALA MB . . 4.500 2.769 2.520 2.969 . 0 0 "[ . 1 . 2]" 1
116 1 12 LEU HB3 2 65 TYR QD . . 5.500 2.503 2.301 2.698 . 0 0 "[ . 1 . 2]" 1
117 1 12 LEU HB3 2 65 TYR QE . . 5.500 2.773 2.319 3.436 . 0 0 "[ . 1 . 2]" 1
118 1 12 LEU HB3 2 72 ILE HG13 . . 5.500 5.589 4.890 5.714 0.214 20 0 "[ . 1 . 2]" 1
119 1 12 LEU QD 2 65 TYR HA . . 4.500 3.895 3.588 4.285 . 0 0 "[ . 1 . 2]" 1
120 1 12 LEU QD 2 65 TYR QD . . 4.500 3.214 2.750 3.685 . 0 0 "[ . 1 . 2]" 1
121 1 12 LEU QD 2 65 TYR QE . . 4.500 3.372 2.686 3.646 . 0 0 "[ . 1 . 2]" 1
122 1 12 LEU QD 2 69 ALA HA . . 4.500 2.053 1.934 2.273 . 0 0 "[ . 1 . 2]" 1
123 1 12 LEU MD1 2 18 LEU HA . . 5.500 5.271 4.493 5.534 0.034 16 0 "[ . 1 . 2]" 1
124 1 12 LEU MD1 2 18 LEU MD1 . . 4.500 4.513 4.304 4.565 0.065 19 0 "[ . 1 . 2]" 1
125 1 12 LEU MD1 2 18 LEU MD2 . . 5.500 3.902 2.917 4.553 . 0 0 "[ . 1 . 2]" 1
126 1 12 LEU MD1 2 22 LEU QD . . 4.500 2.306 2.112 2.666 . 0 0 "[ . 1 . 2]" 1
127 1 12 LEU MD1 2 22 LEU HG . . 5.500 4.140 2.447 4.713 . 0 0 "[ . 1 . 2]" 1
128 1 12 LEU MD1 2 65 TYR HA . . 4.500 4.121 3.784 4.517 0.017 12 0 "[ . 1 . 2]" 1
129 1 12 LEU MD1 2 65 TYR QD . . 5.500 3.519 3.126 3.955 . 0 0 "[ . 1 . 2]" 1
130 1 12 LEU MD1 2 65 TYR QE . . 5.500 4.241 3.547 5.041 . 0 0 "[ . 1 . 2]" 1
131 1 12 LEU MD1 2 68 LEU HB2 . . 5.500 2.655 2.317 3.161 . 0 0 "[ . 1 . 2]" 1
132 1 12 LEU MD1 2 68 LEU HB3 . . 5.500 2.388 2.143 2.742 . 0 0 "[ . 1 . 2]" 1
133 1 12 LEU MD1 2 68 LEU MD1 . . 4.500 3.162 2.458 3.687 . 0 0 "[ . 1 . 2]" 1
134 1 12 LEU MD1 2 68 LEU MD2 . . 5.500 4.048 3.650 4.341 . 0 0 "[ . 1 . 2]" 1
135 1 12 LEU MD1 2 69 ALA HA . . 4.500 2.056 1.936 2.279 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU MD1 2 69 ALA MB . . 3.500 2.293 2.146 2.508 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU MD1 2 72 ILE MD . . 3.500 2.989 2.063 3.566 0.066 7 0 "[ . 1 . 2]" 1
138 1 12 LEU MD2 2 18 LEU MD2 . . 5.500 2.251 1.875 2.728 . 0 0 "[ . 1 . 2]" 1
139 1 12 LEU MD2 2 21 LYS HA . . 5.500 4.627 4.226 5.036 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU MD2 2 21 LYS HB2 . . 5.500 3.831 3.046 4.629 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU MD2 2 21 LYS HB3 . . 5.500 2.522 2.061 3.331 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU MD2 2 21 LYS HG2 . . 5.500 2.564 2.260 3.079 . 0 0 "[ . 1 . 2]" 1
143 1 12 LEU MD2 2 21 LYS HG3 . . 5.500 3.872 2.927 4.483 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU MD2 2 22 LEU HA . . 5.500 3.317 2.645 4.225 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU MD2 2 22 LEU QD . . 4.500 2.494 2.231 2.894 . 0 0 "[ . 1 . 2]" 1
146 1 12 LEU MD2 2 22 LEU HG . . 5.500 4.365 2.949 5.056 . 0 0 "[ . 1 . 2]" 1
147 1 12 LEU MD2 2 65 TYR HA . . 5.500 4.920 4.211 5.533 0.033 4 0 "[ . 1 . 2]" 1
148 1 12 LEU MD2 2 65 TYR QD . . 5.500 3.841 2.962 4.460 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU MD2 2 65 TYR QE . . 5.500 3.729 2.715 4.654 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU MD2 2 68 LEU HB2 . . 4.500 3.921 3.206 4.504 0.004 4 0 "[ . 1 . 2]" 1
151 1 12 LEU MD2 2 68 LEU HB3 . . 5.500 3.343 2.731 3.821 . 0 0 "[ . 1 . 2]" 1
152 1 12 LEU MD2 2 68 LEU MD1 . . 4.500 2.924 2.348 3.365 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU MD2 2 68 LEU MD2 . . 4.500 4.329 3.706 4.552 0.052 13 0 "[ . 1 . 2]" 1
154 1 12 LEU MD2 2 69 ALA HA . . 4.500 4.566 4.531 4.631 0.131 6 0 "[ . 1 . 2]" 1
155 1 12 LEU MD2 2 69 ALA MB . . 4.500 4.355 4.169 4.520 0.020 7 0 "[ . 1 . 2]" 1
156 1 12 LEU HG 2 65 TYR QD . . 5.500 5.353 5.097 5.592 0.092 15 0 "[ . 1 . 2]" 1
157 1 12 LEU HG 2 65 TYR QE . . 5.500 5.244 4.568 5.568 0.068 4 0 "[ . 1 . 2]" 1
158 1 13 MET H 1 14 SER H . . 3.500 2.777 2.349 3.030 . 0 0 "[ . 1 . 2]" 1
159 1 13 MET H 1 15 THR H . . 5.500 4.375 3.881 4.628 . 0 0 "[ . 1 . 2]" 1
160 1 13 MET H 2 18 LEU MD2 . . 5.500 5.148 4.783 5.547 0.047 16 0 "[ . 1 . 2]" 1
161 1 13 MET H 2 65 TYR QD . . 5.500 4.176 3.829 4.632 . 0 0 "[ . 1 . 2]" 1
162 1 13 MET H 2 65 TYR QE . . 5.500 3.854 2.520 4.771 . 0 0 "[ . 1 . 2]" 1
163 1 13 MET H 2 69 ALA MB . . 5.500 4.352 3.978 4.914 . 0 0 "[ . 1 . 2]" 1
164 1 13 MET HA 1 13 MET HG3 . . 4.500 2.739 2.278 3.058 . 0 0 "[ . 1 . 2]" 1
165 1 13 MET HA 1 14 SER H . . 4.500 3.536 3.495 3.597 . 0 0 "[ . 1 . 2]" 1
166 1 13 MET HA 2 65 TYR QD . . 5.500 3.299 2.999 3.546 . 0 0 "[ . 1 . 2]" 1
167 1 13 MET HA 2 65 TYR QE . . 3.500 2.990 2.600 3.441 . 0 0 "[ . 1 . 2]" 1
168 1 13 MET HA 2 69 ALA MB . . 5.500 5.569 5.501 5.625 0.125 12 0 "[ . 1 . 2]" 1
169 1 13 MET HB3 2 65 TYR QD . . 5.500 5.018 4.512 5.555 0.055 13 0 "[ . 1 . 2]" 1
170 1 13 MET HB3 2 65 TYR QE . . 5.500 4.778 4.013 5.494 . 0 0 "[ . 1 . 2]" 1
171 1 13 MET ME 2 65 TYR HB2 . . 5.500 4.809 3.083 5.572 0.072 9 0 "[ . 1 . 2]" 1
172 1 13 MET ME 2 65 TYR HB3 . . 5.500 3.972 2.380 5.174 . 0 0 "[ . 1 . 2]" 1
173 1 13 MET ME 2 65 TYR QD . . 5.500 4.376 3.486 5.500 . 0 0 "[ . 1 . 2]" 1
174 1 13 MET HG2 2 65 TYR QE . . 5.500 4.557 3.850 5.126 . 0 0 "[ . 1 . 2]" 1
175 1 14 SER H 1 15 THR H . . 3.500 2.834 2.657 2.938 . 0 0 "[ . 1 . 2]" 1
176 1 14 SER HA 1 15 THR H . . 4.500 3.504 3.447 3.579 . 0 0 "[ . 1 . 2]" 1
177 1 14 SER HA 1 17 ASN H . . 4.500 3.698 3.099 4.328 . 0 0 "[ . 1 . 2]" 1
178 1 15 THR H 1 16 GLU H . . 3.500 3.010 2.909 3.123 . 0 0 "[ . 1 . 2]" 1
179 1 15 THR H 1 17 ASN H . . 5.500 4.447 4.220 4.759 . 0 0 "[ . 1 . 2]" 1
180 1 15 THR HA 1 18 GLU H . . 4.500 3.237 2.907 3.700 . 0 0 "[ . 1 . 2]" 1
181 1 15 THR HA 1 18 GLU HB2 . . 2.700 2.578 2.227 2.768 0.068 13 0 "[ . 1 . 2]" 1
182 1 15 THR HA 1 18 GLU HG2 . . 4.500 4.038 2.513 4.603 0.103 9 0 "[ . 1 . 2]" 1
183 1 15 THR HA 1 18 GLU HG3 . . 4.500 3.248 2.514 4.099 . 0 0 "[ . 1 . 2]" 1
184 1 15 THR HA 1 19 LEU MD2 . . 4.500 4.346 3.834 4.568 0.068 20 0 "[ . 1 . 2]" 1
185 1 15 THR HA 2 14 LEU QD . . 5.500 4.545 4.171 4.913 . 0 0 "[ . 1 . 2]" 1
186 1 15 THR HA 2 18 LEU QD . . 5.500 4.429 4.293 4.581 . 0 0 "[ . 1 . 2]" 1
187 1 15 THR HB 2 14 LEU MD1 . . 3.500 2.883 2.260 3.496 . 0 0 "[ . 1 . 2]" 1
188 1 15 THR HB 2 18 LEU MD1 . . 4.000 3.901 3.654 4.070 0.070 15 0 "[ . 1 . 2]" 1
189 1 15 THR HB 2 18 LEU QD . . 5.500 2.213 2.100 2.389 . 0 0 "[ . 1 . 2]" 1
190 1 15 THR HB 2 18 LEU MD2 . . 5.500 2.226 2.107 2.406 . 0 0 "[ . 1 . 2]" 1
191 1 15 THR HB 2 21 LYS HE2 . . 5.500 5.233 4.659 5.558 0.058 7 0 "[ . 1 . 2]" 1
192 1 15 THR HB 2 65 TYR QE . . 5.500 4.010 2.800 5.700 0.200 15 0 "[ . 1 . 2]" 1
193 1 15 THR MG 2 14 LEU HA . . 5.500 3.456 2.997 4.443 . 0 0 "[ . 1 . 2]" 1
194 1 15 THR MG 2 14 LEU MD1 . . 3.500 2.182 2.009 2.534 . 0 0 "[ . 1 . 2]" 1
195 1 15 THR MG 2 14 LEU QD . . 5.500 2.176 2.005 2.521 . 0 0 "[ . 1 . 2]" 1
196 1 15 THR MG 2 14 LEU MD2 . . 4.500 4.350 4.165 4.529 0.029 6 0 "[ . 1 . 2]" 1
197 1 15 THR MG 2 18 LEU HA . . 5.500 3.677 3.164 4.128 . 0 0 "[ . 1 . 2]" 1
198 1 15 THR MG 2 18 LEU MD1 . . 4.500 3.855 3.237 4.234 . 0 0 "[ . 1 . 2]" 1
199 1 15 THR MG 2 18 LEU QD . . 5.500 2.227 2.016 2.538 . 0 0 "[ . 1 . 2]" 1
200 1 15 THR MG 2 18 LEU MD2 . . 5.500 2.246 2.020 2.574 . 0 0 "[ . 1 . 2]" 1
201 1 15 THR MG 2 18 LEU HG . . 4.500 2.982 2.210 3.909 . 0 0 "[ . 1 . 2]" 1
202 1 15 THR MG 2 21 LYS HB3 . . 5.500 4.781 3.817 5.318 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLU H 1 17 ASN H . . 3.500 2.768 2.529 2.913 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLU H 2 18 LEU MD2 . . 5.500 4.364 3.974 4.766 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLU HA 1 16 GLU HG3 . . 3.500 3.294 2.824 3.686 0.186 6 0 "[ . 1 . 2]" 1
206 1 16 GLU HA 1 17 ASN H . . 4.500 3.531 3.484 3.585 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLU HA 1 19 LEU MD1 . . 5.500 4.553 3.658 5.567 0.067 5 0 "[ . 1 . 2]" 1
208 1 16 GLU HA 1 19 LEU MD2 . . 3.500 3.283 2.315 3.538 0.038 9 0 "[ . 1 . 2]" 1
209 1 16 GLU HA 2 14 LEU MD1 . . 3.500 2.879 2.399 3.359 . 0 0 "[ . 1 . 2]" 1
210 1 16 GLU HA 2 14 LEU QD . . 5.500 2.802 2.313 3.259 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLU HA 2 14 LEU MD2 . . 4.500 3.885 3.030 4.398 . 0 0 "[ . 1 . 2]" 1
212 1 16 GLU HA 2 18 LEU MD2 . . 5.500 5.457 4.977 5.612 0.112 18 0 "[ . 1 . 2]" 1
213 1 16 GLU QB 2 14 LEU QD . . 5.500 3.396 2.251 4.115 . 0 0 "[ . 1 . 2]" 1
214 1 16 GLU HB2 2 14 LEU MD2 . . 5.500 4.784 3.115 5.541 0.041 15 0 "[ . 1 . 2]" 1
215 1 16 GLU HB3 2 14 LEU MD1 . . 5.500 4.115 2.657 5.103 . 0 0 "[ . 1 . 2]" 1
216 1 16 GLU HB3 2 14 LEU MD2 . . 5.500 4.194 2.440 4.984 . 0 0 "[ . 1 . 2]" 1
217 1 16 GLU QG 2 14 LEU QD . . 5.500 2.644 1.955 3.784 . 0 0 "[ . 1 . 2]" 1
218 1 16 GLU HG2 2 14 LEU MD1 . . 5.500 3.116 2.221 4.507 . 0 0 "[ . 1 . 2]" 1
219 1 16 GLU HG2 2 14 LEU MD2 . . 4.500 3.243 2.519 4.523 0.023 4 0 "[ . 1 . 2]" 1
220 1 16 GLU HG2 2 18 LEU MD2 . . 5.500 5.152 4.129 5.545 0.045 3 0 "[ . 1 . 2]" 1
221 1 16 GLU HG3 2 14 LEU MD2 . . 5.500 4.050 2.557 5.293 . 0 0 "[ . 1 . 2]" 1
222 1 17 ASN H 1 18 GLU H . . 3.500 2.500 2.383 2.817 . 0 0 "[ . 1 . 2]" 1
223 1 17 ASN HA 1 18 GLU H . . 4.500 3.571 3.505 3.627 . 0 0 "[ . 1 . 2]" 1
224 1 18 GLU H 1 19 LEU H . . 3.500 2.694 2.410 2.895 . 0 0 "[ . 1 . 2]" 1
225 1 18 GLU HA 1 19 LEU H . . 4.500 3.539 3.445 3.596 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLU HB2 1 19 LEU HA . . 5.500 4.561 4.119 4.838 . 0 0 "[ . 1 . 2]" 1
227 1 19 LEU H 1 20 LYS H . . 3.500 2.799 2.290 3.190 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU HA 1 19 LEU MD1 . . 2.700 2.255 2.121 2.507 . 0 0 "[ . 1 . 2]" 1
229 1 19 LEU HA 1 19 LEU MD2 . . 4.500 3.395 2.158 3.825 . 0 0 "[ . 1 . 2]" 1
230 1 19 LEU HA 1 20 LYS H . . 4.500 3.389 2.851 3.618 . 0 0 "[ . 1 . 2]" 1
231 1 19 LEU HA 1 21 GLY H . . 5.500 4.118 3.228 5.181 . 0 0 "[ . 1 . 2]" 1
232 1 19 LEU QD 2 14 LEU HA . . 3.500 2.194 2.029 2.555 . 0 0 "[ . 1 . 2]" 1
233 1 19 LEU QD 2 14 LEU QD . . 4.500 2.150 1.971 2.382 . 0 0 "[ . 1 . 2]" 1
234 1 19 LEU MD1 2 13 ASP HB3 . . 4.500 3.855 2.256 4.550 0.050 4 0 "[ . 1 . 2]" 1
235 1 19 LEU MD1 2 14 LEU HA . . 5.500 3.539 2.235 4.171 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU MD1 2 14 LEU MD1 . . 4.500 3.624 3.141 3.909 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU MD1 2 18 LEU MD2 . . 5.500 5.251 4.686 5.542 0.042 10 0 "[ . 1 . 2]" 1
238 1 19 LEU MD2 2 14 LEU HA . . 4.500 2.280 2.034 2.838 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU MD2 2 14 LEU HB3 . . 5.500 4.167 3.658 5.153 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU MD2 2 14 LEU MD1 . . 3.500 2.184 1.989 2.436 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU MD2 2 14 LEU MD2 . . 4.500 3.771 3.153 4.315 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU MD2 2 18 LEU MD2 . . 5.500 4.443 3.812 4.905 . 0 0 "[ . 1 . 2]" 1
243 1 20 LYS H 1 21 GLY H . . 3.500 2.440 1.949 3.258 . 0 0 "[ . 1 . 2]" 1
244 1 20 LYS HA 1 20 LYS HG2 . . 4.500 3.118 2.399 3.805 . 0 0 "[ . 1 . 2]" 1
245 1 20 LYS HA 1 20 LYS HG3 . . 4.500 3.165 2.421 3.848 . 0 0 "[ . 1 . 2]" 1
246 1 20 LYS HA 1 21 GLY H . . 4.500 3.355 2.809 3.595 . 0 0 "[ . 1 . 2]" 1
247 1 21 GLY HA3 1 22 GLN HG2 . . 5.500 5.107 3.573 6.280 0.780 15 2 "[ . - + 2]" 1
248 1 24 ALA HA 1 25 LEU H . . 4.500 2.949 2.287 3.490 . 0 0 "[ . 1 . 2]" 1
249 1 25 LEU HA 1 25 LEU MD1 . . 4.500 3.101 2.162 4.105 . 0 0 "[ . 1 . 2]" 1
250 2 1 GLY HA3 2 2 VAL H . . 5.500 2.660 2.169 3.555 . 0 0 "[ . 1 . 2]" 1
251 2 2 VAL H 2 2 VAL HB . . 3.500 2.692 2.459 2.963 . 0 0 "[ . 1 . 2]" 1
252 2 2 VAL HA 2 2 VAL MG1 . . 3.500 2.413 2.298 2.498 . 0 0 "[ . 1 . 2]" 1
253 2 2 VAL HA 2 2 VAL MG2 . . 3.500 2.443 2.370 2.682 . 0 0 "[ . 1 . 2]" 1
254 2 2 VAL HA 2 3 ARG H . . 3.500 2.480 2.090 3.517 0.017 4 0 "[ . 1 . 2]" 1
255 2 2 VAL HA 2 3 ARG HB2 . . 5.500 4.755 4.153 5.579 0.079 14 0 "[ . 1 . 2]" 1
256 2 2 VAL HB 2 3 ARG H . . 4.500 3.919 2.966 4.434 . 0 0 "[ . 1 . 2]" 1
257 2 3 ARG H 2 3 ARG HB2 . . 3.500 2.776 2.148 3.584 0.084 20 0 "[ . 1 . 2]" 1
258 2 3 ARG H 2 4 LYS H . . 4.500 3.541 1.903 4.595 0.095 18 0 "[ . 1 . 2]" 1
259 2 3 ARG HA 2 4 LYS H . . 3.500 2.847 2.097 3.507 0.007 2 0 "[ . 1 . 2]" 1
260 2 3 ARG HA 2 4 LYS QG . . 5.500 4.404 3.088 5.466 . 0 0 "[ . 1 . 2]" 1
261 2 3 ARG HB2 2 4 LYS H . . 4.500 3.853 2.459 4.532 0.032 12 0 "[ . 1 . 2]" 1
262 2 4 LYS H 2 5 GLY H . . 5.500 3.598 2.093 4.658 . 0 0 "[ . 1 . 2]" 1
263 2 4 LYS HA 2 5 GLY H . . 4.500 2.763 2.073 3.596 . 0 0 "[ . 1 . 2]" 1
264 2 4 LYS HA 2 6 TRP HE1 . . 5.500 4.707 3.262 5.580 0.080 7 0 "[ . 1 . 2]" 1
265 2 4 LYS QB 2 6 TRP HD1 . . 5.500 3.247 2.367 4.807 . 0 0 "[ . 1 . 2]" 1
266 2 4 LYS QB 2 6 TRP HE1 . . 5.500 3.337 2.299 5.071 . 0 0 "[ . 1 . 2]" 1
267 2 4 LYS QD 2 6 TRP HD1 . . 5.500 4.152 3.103 5.550 0.050 8 0 "[ . 1 . 2]" 1
268 2 4 LYS QD 2 6 TRP HE1 . . 4.500 3.047 2.076 4.476 . 0 0 "[ . 1 . 2]" 1
269 2 4 LYS QD 2 59 ASN HA . . 4.500 3.297 2.483 4.374 . 0 0 "[ . 1 . 2]" 1
270 2 4 LYS HD2 2 59 ASN HA . . 4.500 3.880 2.632 4.559 0.059 16 0 "[ . 1 . 2]" 1
271 2 4 LYS QE 2 6 TRP HE1 . . 5.500 3.732 1.930 4.756 . 0 0 "[ . 1 . 2]" 1
272 2 4 LYS QE 2 59 ASN HA . . 5.500 4.228 3.054 5.577 0.077 11 0 "[ . 1 . 2]" 1
273 2 4 LYS HE2 2 57 SER H . . 5.500 5.157 4.300 5.540 0.040 13 0 "[ . 1 . 2]" 1
274 2 4 LYS QG 2 6 TRP HD1 . . 5.500 4.427 3.150 5.537 0.037 10 0 "[ . 1 . 2]" 1
275 2 4 LYS QG 2 6 TRP HE1 . . 5.500 3.791 2.173 5.043 . 0 0 "[ . 1 . 2]" 1
276 2 5 GLY H 2 6 TRP H . . 5.500 2.771 1.980 3.626 . 0 0 "[ . 1 . 2]" 1
277 2 5 GLY HA2 2 6 TRP H . . 3.500 3.370 2.775 3.581 0.081 4 0 "[ . 1 . 2]" 1
278 2 5 GLY HA2 2 8 GLU HG2 . . 5.500 4.984 3.470 5.531 0.031 11 0 "[ . 1 . 2]" 1
279 2 5 GLY HA3 2 6 TRP H . . 3.500 3.113 2.699 3.539 0.039 13 0 "[ . 1 . 2]" 1
280 2 6 TRP H 2 6 TRP HB3 . . 3.500 2.642 2.339 3.182 . 0 0 "[ . 1 . 2]" 1
281 2 6 TRP H 2 7 HIS H . . 4.500 2.578 1.922 2.953 . 0 0 "[ . 1 . 2]" 1
282 2 6 TRP H 2 7 HIS HB2 . . 5.500 4.790 4.027 5.273 . 0 0 "[ . 1 . 2]" 1
283 2 6 TRP H 2 8 GLU H . . 5.500 4.666 3.865 5.177 . 0 0 "[ . 1 . 2]" 1
284 2 6 TRP HA 2 7 HIS H . . 4.500 3.401 3.302 3.491 . 0 0 "[ . 1 . 2]" 1
285 2 6 TRP HA 2 8 GLU H . . 4.500 3.808 3.620 4.018 . 0 0 "[ . 1 . 2]" 1
286 2 6 TRP HA 2 9 HIS H . . 4.500 4.003 3.660 4.559 0.059 20 0 "[ . 1 . 2]" 1
287 2 6 TRP HA 2 9 HIS HD2 . . 5.500 3.351 2.265 5.555 0.055 8 0 "[ . 1 . 2]" 1
288 2 6 TRP HA 2 61 ARG H . . 5.500 5.151 4.730 5.512 0.012 6 0 "[ . 1 . 2]" 1
289 2 6 TRP HB2 2 7 HIS HD2 . . 4.500 4.515 4.307 4.623 0.123 15 0 "[ . 1 . 2]" 1
290 2 6 TRP HB2 2 61 ARG H . . 3.500 2.867 2.547 3.254 . 0 0 "[ . 1 . 2]" 1
291 2 6 TRP HB3 2 6 TRP HD1 . . 3.500 2.600 2.484 2.655 . 0 0 "[ . 1 . 2]" 1
292 2 6 TRP HB3 2 7 HIS HD2 . . 4.500 4.590 4.523 4.676 0.176 11 0 "[ . 1 . 2]" 1
293 2 6 TRP HB3 2 61 ARG H . . 4.500 3.653 2.950 4.526 0.026 6 0 "[ . 1 . 2]" 1
294 2 6 TRP HD1 2 59 ASN HA . . 5.500 3.698 2.738 4.353 . 0 0 "[ . 1 . 2]" 1
295 2 6 TRP HD1 2 60 SER HA . . 5.500 3.029 2.564 3.894 . 0 0 "[ . 1 . 2]" 1
296 2 6 TRP HE1 2 59 ASN HA . . 3.500 3.072 2.485 3.530 0.030 7 0 "[ . 1 . 2]" 1
297 2 6 TRP HE1 2 60 SER H . . 5.500 3.657 3.168 3.936 . 0 0 "[ . 1 . 2]" 1
298 2 6 TRP HH2 2 55 TYR HA . . 4.500 2.893 2.571 3.547 . 0 0 "[ . 1 . 2]" 1
299 2 6 TRP HH2 2 55 TYR HB2 . . 5.500 4.177 3.913 4.537 . 0 0 "[ . 1 . 2]" 1
300 2 6 TRP HH2 2 58 ALA MB . . 5.500 3.613 3.270 4.035 . 0 0 "[ . 1 . 2]" 1
301 2 6 TRP HH2 2 64 TYR H . . 5.500 4.968 4.610 5.247 . 0 0 "[ . 1 . 2]" 1
302 2 6 TRP HH2 2 64 TYR HB2 . . 5.500 2.598 2.288 2.905 . 0 0 "[ . 1 . 2]" 1
303 2 6 TRP HH2 2 65 TYR H . . 5.500 5.522 5.360 5.591 0.091 12 0 "[ . 1 . 2]" 1
304 2 6 TRP HZ2 2 55 TYR HA . . 5.500 3.252 2.889 3.665 . 0 0 "[ . 1 . 2]" 1
305 2 6 TRP HZ2 2 58 ALA H . . 5.500 3.733 3.175 4.268 . 0 0 "[ . 1 . 2]" 1
306 2 6 TRP HZ2 2 58 ALA MB . . 3.500 2.273 2.126 2.565 . 0 0 "[ . 1 . 2]" 1
307 2 6 TRP HZ3 2 7 HIS HD2 . . 5.500 4.988 4.419 5.467 . 0 0 "[ . 1 . 2]" 1
308 2 6 TRP HZ3 2 10 VAL MG2 . . 5.500 2.179 2.055 2.343 . 0 0 "[ . 1 . 2]" 1
309 2 7 HIS H 2 8 GLU H . . 4.500 2.809 2.609 2.982 . 0 0 "[ . 1 . 2]" 1
310 2 7 HIS HA 2 8 GLU H . . 5.500 3.523 3.442 3.563 . 0 0 "[ . 1 . 2]" 1
311 2 7 HIS HA 2 9 HIS H . . 4.500 3.715 3.566 3.888 . 0 0 "[ . 1 . 2]" 1
312 2 7 HIS HA 2 10 VAL H . . 4.500 3.851 3.300 4.352 . 0 0 "[ . 1 . 2]" 1
313 2 7 HIS HA 2 10 VAL HB . . 4.500 3.429 2.927 4.203 . 0 0 "[ . 1 . 2]" 1
314 2 7 HIS HA 2 10 VAL MG2 . . 5.500 3.082 2.174 4.281 . 0 0 "[ . 1 . 2]" 1
315 2 7 HIS HA 2 55 TYR QE . . 5.500 3.983 3.381 4.589 . 0 0 "[ . 1 . 2]" 1
316 2 7 HIS HB2 2 8 GLU H . . 4.500 3.032 2.712 3.249 . 0 0 "[ . 1 . 2]" 1
317 2 7 HIS HB2 2 8 GLU HA . . 5.500 4.586 4.395 4.717 . 0 0 "[ . 1 . 2]" 1
318 2 8 GLU H 2 8 GLU HB2 . . 3.500 3.095 2.361 3.570 0.070 3 0 "[ . 1 . 2]" 1
319 2 8 GLU H 2 8 GLU HB3 . . 3.500 2.908 2.403 3.567 0.067 4 0 "[ . 1 . 2]" 1
320 2 8 GLU H 2 9 HIS H . . 4.500 2.820 2.668 3.005 . 0 0 "[ . 1 . 2]" 1
321 2 8 GLU HA 2 9 HIS H . . 4.500 3.465 3.312 3.527 . 0 0 "[ . 1 . 2]" 1
322 2 8 GLU HA 2 10 VAL H . . 5.500 3.794 3.495 4.382 . 0 0 "[ . 1 . 2]" 1
323 2 8 GLU HB2 2 9 HIS H . . 4.500 3.820 3.038 4.223 . 0 0 "[ . 1 . 2]" 1
324 2 8 GLU HB3 2 9 HIS H . . 4.500 4.214 3.928 4.437 . 0 0 "[ . 1 . 2]" 1
325 2 8 GLU HG2 2 9 HIS H . . 5.500 3.844 2.682 5.472 . 0 0 "[ . 1 . 2]" 1
326 2 9 HIS H 2 10 VAL HB . . 5.500 4.530 4.056 4.844 . 0 0 "[ . 1 . 2]" 1
327 2 9 HIS H 2 10 VAL MG2 . . 5.500 3.570 3.113 4.094 . 0 0 "[ . 1 . 2]" 1
328 2 9 HIS HA 2 10 VAL H . . 4.500 3.278 3.024 3.557 . 0 0 "[ . 1 . 2]" 1
329 2 9 HIS HB2 2 10 VAL MG2 . . 5.500 3.620 2.789 5.505 0.005 20 0 "[ . 1 . 2]" 1
330 2 9 HIS HB3 2 10 VAL H . . 5.500 4.213 2.599 4.498 . 0 0 "[ . 1 . 2]" 1
331 2 9 HIS HB3 2 10 VAL MG2 . . 5.500 4.079 3.064 5.482 . 0 0 "[ . 1 . 2]" 1
332 2 9 HIS HD2 2 10 VAL H . . 5.500 5.378 4.637 5.575 0.075 3 0 "[ . 1 . 2]" 1
333 2 10 VAL H 2 10 VAL HB . . 3.500 2.581 2.398 2.740 . 0 0 "[ . 1 . 2]" 1
334 2 10 VAL H 2 10 VAL MG1 . . 4.500 3.864 3.794 3.937 . 0 0 "[ . 1 . 2]" 1
335 2 10 VAL H 2 10 VAL MG2 . . 3.500 2.674 2.101 3.064 . 0 0 "[ . 1 . 2]" 1
336 2 10 VAL HA 2 10 VAL MG1 . . 3.500 2.464 2.355 2.554 . 0 0 "[ . 1 . 2]" 1
337 2 10 VAL HA 2 10 VAL MG2 . . 3.500 2.383 2.278 2.519 . 0 0 "[ . 1 . 2]" 1
338 2 10 VAL HA 2 11 THR H . . 3.500 2.266 2.149 2.394 . 0 0 "[ . 1 . 2]" 1
339 2 10 VAL HA 2 14 LEU HB2 . . 5.500 4.471 4.109 4.895 . 0 0 "[ . 1 . 2]" 1
340 2 10 VAL HA 2 14 LEU MD1 . . 5.500 5.228 4.824 5.533 0.033 20 0 "[ . 1 . 2]" 1
341 2 10 VAL HA 2 14 LEU MD2 . . 3.500 2.603 2.147 2.957 . 0 0 "[ . 1 . 2]" 1
342 2 10 VAL HB 2 11 THR H . . 4.500 3.963 3.721 4.464 . 0 0 "[ . 1 . 2]" 1
343 2 10 VAL HB 2 55 TYR QE . . 4.500 3.418 2.381 4.170 . 0 0 "[ . 1 . 2]" 1
344 2 10 VAL MG1 2 11 THR H . . 4.500 2.330 2.030 3.200 . 0 0 "[ . 1 . 2]" 1
345 2 10 VAL MG1 2 14 LEU MD2 . . 4.500 2.361 2.159 2.891 . 0 0 "[ . 1 . 2]" 1
346 2 10 VAL MG1 2 15 ARG H . . 5.500 3.466 2.996 3.861 . 0 0 "[ . 1 . 2]" 1
347 2 10 VAL MG1 2 15 ARG HD2 . . 3.500 2.713 2.098 3.283 . 0 0 "[ . 1 . 2]" 1
348 2 10 VAL MG1 2 15 ARG QD . . 5.500 2.152 1.991 2.720 . 0 0 "[ . 1 . 2]" 1
349 2 10 VAL MG1 2 15 ARG QG . . 4.500 2.690 2.044 4.017 . 0 0 "[ . 1 . 2]" 1
350 2 10 VAL MG1 2 55 TYR QD . . 5.500 3.865 3.140 4.225 . 0 0 "[ . 1 . 2]" 1
351 2 10 VAL MG1 2 55 TYR QE . . 5.500 2.477 2.196 3.133 . 0 0 "[ . 1 . 2]" 1
352 2 10 VAL MG2 2 14 LEU HG . . 5.500 4.531 3.890 5.275 . 0 0 "[ . 1 . 2]" 1
353 2 10 VAL MG2 2 55 TYR QD . . 5.500 4.044 3.312 4.387 . 0 0 "[ . 1 . 2]" 1
354 2 10 VAL MG2 2 55 TYR QE . . 5.500 2.663 2.250 3.349 . 0 0 "[ . 1 . 2]" 1
355 2 10 VAL MG2 2 61 ARG QD . . 5.500 3.268 1.992 5.239 . 0 0 "[ . 1 . 2]" 1
356 2 11 THR H 2 12 GLN H . . 5.500 4.491 4.411 4.673 . 0 0 "[ . 1 . 2]" 1
357 2 11 THR H 2 14 LEU H . . 5.500 3.639 3.444 3.949 . 0 0 "[ . 1 . 2]" 1
358 2 11 THR H 2 14 LEU HB2 . . 5.500 3.339 2.955 3.729 . 0 0 "[ . 1 . 2]" 1
359 2 11 THR H 2 14 LEU HB3 . . 3.500 2.465 2.107 2.842 . 0 0 "[ . 1 . 2]" 1
360 2 11 THR HA 2 12 GLN H . . 3.500 2.359 2.261 2.434 . 0 0 "[ . 1 . 2]" 1
361 2 11 THR MG 2 12 GLN H . . 5.500 3.621 2.254 3.889 . 0 0 "[ . 1 . 2]" 1
362 2 11 THR MG 2 13 ASP H . . 5.500 3.637 1.986 4.405 . 0 0 "[ . 1 . 2]" 1
363 2 12 GLN H 2 12 GLN HB2 . . 3.500 2.518 2.323 3.585 0.085 12 0 "[ . 1 . 2]" 1
364 2 12 GLN H 2 13 ASP H . . 4.500 2.815 2.717 3.112 . 0 0 "[ . 1 . 2]" 1
365 2 12 GLN HA 2 13 ASP H . . 4.500 3.574 3.548 3.610 . 0 0 "[ . 1 . 2]" 1
366 2 12 GLN HA 2 13 ASP HA . . 5.500 4.859 4.778 4.899 . 0 0 "[ . 1 . 2]" 1
367 2 12 GLN HA 2 15 ARG H . . 4.500 3.379 3.237 3.535 . 0 0 "[ . 1 . 2]" 1
368 2 12 GLN HA 2 15 ARG HB2 . . 4.500 2.610 2.303 2.948 . 0 0 "[ . 1 . 2]" 1
369 2 12 GLN HA 2 15 ARG HB3 . . 4.500 3.942 2.762 4.527 0.027 9 0 "[ . 1 . 2]" 1
370 2 12 GLN HA 2 15 ARG QD . . 5.500 4.178 2.116 5.005 . 0 0 "[ . 1 . 2]" 1
371 2 12 GLN HB2 2 13 ASP H . . 4.500 3.984 3.901 4.075 . 0 0 "[ . 1 . 2]" 1
372 2 12 GLN HB3 2 13 ASP H . . 4.500 2.939 2.603 4.214 . 0 0 "[ . 1 . 2]" 1
373 2 12 GLN HB3 2 16 SER H . . 5.500 5.530 5.506 5.665 0.165 12 0 "[ . 1 . 2]" 1
374 2 12 GLN HG2 2 13 ASP H . . 4.500 3.996 2.661 4.582 0.082 10 0 "[ . 1 . 2]" 1
375 2 12 GLN HG2 2 13 ASP HA . . 5.500 4.231 3.731 5.293 . 0 0 "[ . 1 . 2]" 1
376 2 13 ASP H 2 14 LEU H . . 3.500 2.777 2.662 2.963 . 0 0 "[ . 1 . 2]" 1
377 2 13 ASP H 2 14 LEU HB3 . . 5.500 4.969 4.729 5.209 . 0 0 "[ . 1 . 2]" 1
378 2 13 ASP HA 2 14 LEU H . . 5.500 3.593 3.531 3.624 . 0 0 "[ . 1 . 2]" 1
379 2 13 ASP HA 2 16 SER H . . 4.500 3.609 3.280 3.792 . 0 0 "[ . 1 . 2]" 1
380 2 13 ASP HA 2 16 SER HB2 . . 5.500 2.758 2.322 3.059 . 0 0 "[ . 1 . 2]" 1
381 2 13 ASP HA 2 16 SER HB3 . . 4.500 4.300 3.863 4.506 0.006 3 0 "[ . 1 . 2]" 1
382 2 13 ASP HA 2 17 HIS H . . 5.500 4.054 3.749 4.736 . 0 0 "[ . 1 . 2]" 1
383 2 13 ASP HB2 2 14 LEU H . . 4.500 3.114 2.551 4.068 . 0 0 "[ . 1 . 2]" 1
384 2 13 ASP HB3 2 14 LEU H . . 4.500 3.332 2.640 3.745 . 0 0 "[ . 1 . 2]" 1
385 2 14 LEU H 2 15 ARG H . . 4.500 2.732 2.557 2.829 . 0 0 "[ . 1 . 2]" 1
386 2 14 LEU H 2 16 SER H . . 5.500 4.277 4.126 4.408 . 0 0 "[ . 1 . 2]" 1
387 2 14 LEU HA 2 14 LEU MD1 . . 2.700 2.137 2.084 2.207 . 0 0 "[ . 1 . 2]" 1
388 2 14 LEU HA 2 15 ARG H . . 4.500 3.603 3.574 3.619 . 0 0 "[ . 1 . 2]" 1
389 2 14 LEU HA 2 17 HIS H . . 4.500 3.683 3.441 3.845 . 0 0 "[ . 1 . 2]" 1
390 2 14 LEU HA 2 17 HIS HB3 . . 5.500 3.111 2.761 3.551 . 0 0 "[ . 1 . 2]" 1
391 2 14 LEU HA 2 18 LEU H . . 5.500 3.909 3.751 4.395 . 0 0 "[ . 1 . 2]" 1
392 2 14 LEU HB2 2 15 ARG H . . 4.500 3.858 3.713 3.955 . 0 0 "[ . 1 . 2]" 1
393 2 14 LEU HB3 2 15 ARG H . . 2.700 2.507 2.371 2.652 . 0 0 "[ . 1 . 2]" 1
394 2 14 LEU HB3 2 15 ARG HD2 . . 4.500 4.487 4.114 4.602 0.102 12 0 "[ . 1 . 2]" 1
395 2 14 LEU MD1 2 18 LEU HG . . 4.500 2.404 2.208 3.070 . 0 0 "[ . 1 . 2]" 1
396 2 14 LEU MD2 2 18 LEU MD1 . . 5.500 3.058 2.759 3.499 . 0 0 "[ . 1 . 2]" 1
397 2 14 LEU HG 2 15 ARG HA . . 5.500 3.925 3.545 4.211 . 0 0 "[ . 1 . 2]" 1
398 2 14 LEU HG 2 18 LEU H . . 5.500 4.562 4.275 4.864 . 0 0 "[ . 1 . 2]" 1
399 2 14 LEU HG 2 18 LEU MD1 . . 4.500 2.509 2.274 3.165 . 0 0 "[ . 1 . 2]" 1
400 2 15 ARG H 2 15 ARG HD2 . . 3.500 3.518 3.133 3.725 0.225 17 0 "[ . 1 . 2]" 1
401 2 15 ARG H 2 16 SER H . . 4.500 2.917 2.822 3.020 . 0 0 "[ . 1 . 2]" 1
402 2 15 ARG HA 2 18 LEU H . . 4.500 3.682 3.005 3.935 . 0 0 "[ . 1 . 2]" 1
403 2 15 ARG HA 2 18 LEU HB2 . . 3.500 2.823 2.241 3.005 . 0 0 "[ . 1 . 2]" 1
404 2 15 ARG HA 2 18 LEU HB3 . . 4.500 4.447 3.876 4.582 0.082 1 0 "[ . 1 . 2]" 1
405 2 15 ARG HA 2 18 LEU MD1 . . 4.500 3.478 2.622 4.051 . 0 0 "[ . 1 . 2]" 1
406 2 15 ARG HA 2 18 LEU HG . . 5.500 4.057 2.629 4.686 . 0 0 "[ . 1 . 2]" 1
407 2 15 ARG HB2 2 16 SER H . . 4.500 2.655 2.366 3.410 . 0 0 "[ . 1 . 2]" 1
408 2 15 ARG HB3 2 16 SER H . . 4.500 3.314 2.439 3.650 . 0 0 "[ . 1 . 2]" 1
409 2 15 ARG QD 2 55 TYR QE . . 4.500 3.159 2.366 4.520 0.020 12 0 "[ . 1 . 2]" 1
410 2 15 ARG HD2 2 16 SER H . . 5.500 5.295 4.613 5.661 0.161 17 0 "[ . 1 . 2]" 1
411 2 15 ARG QG 2 16 SER H . . 5.500 4.039 3.892 4.275 . 0 0 "[ . 1 . 2]" 1
412 2 16 SER H 2 17 HIS H . . 4.500 2.954 2.865 3.056 . 0 0 "[ . 1 . 2]" 1
413 2 16 SER H 2 17 HIS HB3 . . 5.500 5.163 5.015 5.353 . 0 0 "[ . 1 . 2]" 1
414 2 16 SER H 2 18 LEU H . . 5.500 4.360 4.225 4.480 . 0 0 "[ . 1 . 2]" 1
415 2 16 SER H 2 19 VAL H . . 5.500 4.876 4.764 4.943 . 0 0 "[ . 1 . 2]" 1
416 2 16 SER H 2 19 VAL MG2 . . 5.500 4.887 4.714 5.015 . 0 0 "[ . 1 . 2]" 1
417 2 16 SER HA 2 17 HIS H . . 5.500 3.608 3.583 3.628 . 0 0 "[ . 1 . 2]" 1
418 2 16 SER HA 2 19 VAL H . . 4.500 3.899 3.759 4.224 . 0 0 "[ . 1 . 2]" 1
419 2 16 SER HA 2 19 VAL HB . . 4.500 3.096 2.904 3.577 . 0 0 "[ . 1 . 2]" 1
420 2 16 SER HA 2 19 VAL MG1 . . 5.500 4.282 4.075 4.750 . 0 0 "[ . 1 . 2]" 1
421 2 16 SER HA 2 19 VAL MG2 . . 5.500 3.691 3.481 4.126 . 0 0 "[ . 1 . 2]" 1
422 2 16 SER HA 2 20 HIS H . . 4.500 4.280 4.067 4.547 0.047 17 0 "[ . 1 . 2]" 1
423 2 16 SER HB2 2 17 HIS H . . 4.500 2.362 2.316 2.508 . 0 0 "[ . 1 . 2]" 1
424 2 16 SER HB2 2 17 HIS HB3 . . 4.500 4.606 4.568 4.636 0.136 16 0 "[ . 1 . 2]" 1
425 2 16 SER HB3 2 17 HIS H . . 4.500 3.440 3.347 3.532 . 0 0 "[ . 1 . 2]" 1
426 2 17 HIS H 2 17 HIS HB2 . . 3.500 2.455 2.379 2.637 . 0 0 "[ . 1 . 2]" 1
427 2 17 HIS H 2 17 HIS HB3 . . 3.500 2.471 2.430 2.514 . 0 0 "[ . 1 . 2]" 1
428 2 17 HIS H 2 18 LEU H . . 4.500 2.743 2.535 2.798 . 0 0 "[ . 1 . 2]" 1
429 2 17 HIS H 2 18 LEU HB2 . . 5.500 4.914 4.701 5.025 . 0 0 "[ . 1 . 2]" 1
430 2 17 HIS H 2 19 VAL H . . 5.500 4.342 4.185 4.472 . 0 0 "[ . 1 . 2]" 1
431 2 17 HIS H 2 20 HIS H . . 5.500 4.817 4.619 4.996 . 0 0 "[ . 1 . 2]" 1
432 2 17 HIS HA 2 18 LEU H . . 4.500 3.627 3.605 3.649 . 0 0 "[ . 1 . 2]" 1
433 2 17 HIS HA 2 19 VAL H . . 5.500 4.571 4.363 4.763 . 0 0 "[ . 1 . 2]" 1
434 2 17 HIS HA 2 20 HIS H . . 4.500 3.384 3.188 3.581 . 0 0 "[ . 1 . 2]" 1
435 2 17 HIS HA 2 20 HIS HB2 . . 4.500 3.644 3.076 4.355 . 0 0 "[ . 1 . 2]" 1
436 2 17 HIS HA 2 20 HIS HB3 . . 4.500 2.567 2.151 3.074 . 0 0 "[ . 1 . 2]" 1
437 2 17 HIS HA 2 20 HIS HD2 . . 5.500 5.093 3.916 5.618 0.118 19 0 "[ . 1 . 2]" 1
438 2 17 HIS HB2 2 18 LEU H . . 4.500 4.001 3.912 4.076 . 0 0 "[ . 1 . 2]" 1
439 2 17 HIS HB3 2 18 LEU H . . 4.500 2.758 2.631 2.878 . 0 0 "[ . 1 . 2]" 1
440 2 17 HIS HD2 2 18 LEU H . . 5.500 3.824 3.713 3.938 . 0 0 "[ . 1 . 2]" 1
441 2 17 HIS HD2 2 18 LEU HB2 . . 5.500 5.496 5.383 5.605 0.105 16 0 "[ . 1 . 2]" 1
442 2 18 LEU H 2 18 LEU HG . . 4.500 2.584 2.373 2.826 . 0 0 "[ . 1 . 2]" 1
443 2 18 LEU H 2 19 VAL H . . 4.500 2.848 2.797 2.915 . 0 0 "[ . 1 . 2]" 1
444 2 18 LEU H 2 20 HIS H . . 5.500 4.321 4.177 4.428 . 0 0 "[ . 1 . 2]" 1
445 2 18 LEU HA 2 18 LEU MD2 . . 3.500 2.079 2.031 2.206 . 0 0 "[ . 1 . 2]" 1
446 2 18 LEU HA 2 21 LYS H . . 4.500 3.343 3.085 3.744 . 0 0 "[ . 1 . 2]" 1
447 2 18 LEU HA 2 21 LYS QB . . 3.500 2.597 2.288 3.021 . 0 0 "[ . 1 . 2]" 1
448 2 18 LEU HA 2 22 LEU H . . 5.500 3.816 3.617 4.106 . 0 0 "[ . 1 . 2]" 1
449 2 18 LEU HA 2 22 LEU MD1 . . 5.500 4.702 3.940 5.293 . 0 0 "[ . 1 . 2]" 1
450 2 18 LEU HB2 2 18 LEU MD2 . . 3.500 3.271 3.229 3.292 . 0 0 "[ . 1 . 2]" 1
451 2 18 LEU HB2 2 19 VAL H . . 4.500 2.798 2.611 3.023 . 0 0 "[ . 1 . 2]" 1
452 2 18 LEU HB3 2 68 LEU MD1 . . 5.500 2.613 2.278 2.936 . 0 0 "[ . 1 . 2]" 1
453 2 18 LEU MD1 2 64 TYR QE . . 4.500 2.562 2.224 3.003 . 0 0 "[ . 1 . 2]" 1
454 2 18 LEU MD1 2 65 TYR QD . . 5.500 3.574 3.023 4.195 . 0 0 "[ . 1 . 2]" 1
455 2 18 LEU MD1 2 68 LEU MD1 . . 5.500 2.267 2.079 2.447 . 0 0 "[ . 1 . 2]" 1
456 2 18 LEU MD1 2 68 LEU HG . . 4.500 4.505 4.382 4.565 0.065 5 0 "[ . 1 . 2]" 1
457 2 18 LEU MD2 2 65 TYR QD . . 5.500 3.666 3.190 4.149 . 0 0 "[ . 1 . 2]" 1
458 2 18 LEU MD2 2 68 LEU MD1 . . 5.500 3.279 2.663 3.695 . 0 0 "[ . 1 . 2]" 1
459 2 19 VAL H 2 19 VAL HB . . 3.500 2.431 2.345 2.515 . 0 0 "[ . 1 . 2]" 1
460 2 19 VAL H 2 19 VAL MG2 . . 3.500 2.368 2.275 2.434 . 0 0 "[ . 1 . 2]" 1
461 2 19 VAL H 2 20 HIS H . . 4.500 2.866 2.800 2.923 . 0 0 "[ . 1 . 2]" 1
462 2 19 VAL HA 2 19 VAL MG1 . . 3.500 2.569 2.501 2.643 . 0 0 "[ . 1 . 2]" 1
463 2 19 VAL HA 2 19 VAL MG2 . . 3.500 2.326 2.280 2.389 . 0 0 "[ . 1 . 2]" 1
464 2 19 VAL HA 2 22 LEU H . . 4.500 3.553 3.376 3.728 . 0 0 "[ . 1 . 2]" 1
465 2 19 VAL HA 2 22 LEU HB2 . . 4.500 2.801 2.333 3.672 . 0 0 "[ . 1 . 2]" 1
466 2 19 VAL HA 2 22 LEU HB3 . . 4.500 3.238 2.610 3.837 . 0 0 "[ . 1 . 2]" 1
467 2 19 VAL HA 2 22 LEU MD1 . . 4.500 3.969 3.361 4.430 . 0 0 "[ . 1 . 2]" 1
468 2 19 VAL HA 2 22 LEU MD2 . . 5.500 3.419 2.855 4.837 . 0 0 "[ . 1 . 2]" 1
469 2 19 VAL HA 2 22 LEU HG . . 5.500 5.309 5.087 5.497 . 0 0 "[ . 1 . 2]" 1
470 2 19 VAL HB 2 20 HIS H . . 4.500 2.616 2.538 2.693 . 0 0 "[ . 1 . 2]" 1
471 2 19 VAL MG1 2 20 HIS H . . 4.500 3.166 3.009 3.374 . 0 0 "[ . 1 . 2]" 1
472 2 19 VAL MG1 2 20 HIS HA . . 5.500 3.307 3.152 3.475 . 0 0 "[ . 1 . 2]" 1
473 2 19 VAL MG1 2 47 ALA MB . . 4.500 2.748 2.204 3.163 . 0 0 "[ . 1 . 2]" 1
474 2 19 VAL MG1 2 48 LYS H . . 5.500 3.467 3.202 3.704 . 0 0 "[ . 1 . 2]" 1
475 2 19 VAL MG1 2 48 LYS HA . . 4.500 3.104 2.813 3.374 . 0 0 "[ . 1 . 2]" 1
476 2 19 VAL MG1 2 48 LYS QB . . 5.500 3.813 3.718 4.027 . 0 0 "[ . 1 . 2]" 1
477 2 19 VAL MG1 2 48 LYS HB3 . . 4.500 4.295 4.145 4.511 0.011 19 0 "[ . 1 . 2]" 1
478 2 19 VAL MG1 2 48 LYS QD . . 5.500 3.677 3.519 3.958 . 0 0 "[ . 1 . 2]" 1
479 2 19 VAL MG1 2 48 LYS HE3 . . 3.500 2.833 2.533 3.177 . 0 0 "[ . 1 . 2]" 1
480 2 19 VAL MG1 2 48 LYS QG . . 4.500 2.046 1.965 2.270 . 0 0 "[ . 1 . 2]" 1
481 2 19 VAL MG1 2 48 LYS HG3 . . 4.500 2.275 2.122 2.506 . 0 0 "[ . 1 . 2]" 1
482 2 19 VAL MG1 2 49 LYS H . . 5.500 5.473 5.305 5.561 0.061 3 0 "[ . 1 . 2]" 1
483 2 19 VAL MG2 2 20 HIS H . . 5.500 4.022 3.971 4.063 . 0 0 "[ . 1 . 2]" 1
484 2 19 VAL MG2 2 20 HIS HA . . 5.500 5.487 5.405 5.538 0.038 18 0 "[ . 1 . 2]" 1
485 2 19 VAL MG2 2 48 LYS HA . . 4.500 2.606 2.359 3.044 . 0 0 "[ . 1 . 2]" 1
486 2 19 VAL MG2 2 48 LYS QB . . 5.500 3.917 3.709 4.251 . 0 0 "[ . 1 . 2]" 1
487 2 19 VAL MG2 2 48 LYS QD . . 5.500 4.307 4.077 4.675 . 0 0 "[ . 1 . 2]" 1
488 2 19 VAL MG2 2 48 LYS QG . . 4.500 2.512 2.247 2.880 . 0 0 "[ . 1 . 2]" 1
489 2 19 VAL MG2 2 48 LYS HG3 . . 4.500 3.473 3.099 3.797 . 0 0 "[ . 1 . 2]" 1
490 2 19 VAL MG2 2 51 GLU H . . 5.500 4.308 3.834 4.972 . 0 0 "[ . 1 . 2]" 1
491 2 19 VAL MG2 2 51 GLU HG3 . . 5.500 2.261 2.105 3.414 . 0 0 "[ . 1 . 2]" 1
492 2 20 HIS H 2 20 HIS HB2 . . 3.500 2.666 2.391 3.297 . 0 0 "[ . 1 . 2]" 1
493 2 20 HIS H 2 20 HIS HB3 . . 3.500 2.404 2.060 2.676 . 0 0 "[ . 1 . 2]" 1
494 2 20 HIS H 2 21 LYS H . . 4.500 2.862 2.749 2.950 . 0 0 "[ . 1 . 2]" 1
495 2 20 HIS H 2 22 LEU H . . 5.500 4.283 4.158 4.494 . 0 0 "[ . 1 . 2]" 1
496 2 20 HIS HA 2 21 LYS H . . 3.500 3.562 3.537 3.585 0.085 3 0 "[ . 1 . 2]" 1
497 2 20 HIS HA 2 22 LEU H . . 5.500 4.518 4.349 4.845 . 0 0 "[ . 1 . 2]" 1
498 2 20 HIS HA 2 23 VAL H . . 4.500 3.567 3.273 3.854 . 0 0 "[ . 1 . 2]" 1
499 2 20 HIS HA 2 23 VAL HB . . 4.500 2.674 2.220 3.011 . 0 0 "[ . 1 . 2]" 1
500 2 20 HIS HA 2 23 VAL MG2 . . 5.500 3.271 2.969 3.623 . 0 0 "[ . 1 . 2]" 1
501 2 20 HIS HA 2 24 GLN H . . 4.500 4.219 4.024 4.562 0.062 7 0 "[ . 1 . 2]" 1
502 2 20 HIS HB2 2 21 LYS H . . 4.500 3.983 3.816 4.291 . 0 0 "[ . 1 . 2]" 1
503 2 20 HIS HB3 2 21 LYS H . . 4.500 2.788 2.489 3.463 . 0 0 "[ . 1 . 2]" 1
504 2 20 HIS HD2 2 24 GLN HG2 . . 5.500 3.811 2.998 5.518 0.018 11 0 "[ . 1 . 2]" 1
505 2 21 LYS H 2 21 LYS HB2 . . 2.700 2.388 2.115 2.574 . 0 0 "[ . 1 . 2]" 1
506 2 21 LYS H 2 21 LYS QB . . 3.500 2.199 2.055 2.291 . 0 0 "[ . 1 . 2]" 1
507 2 21 LYS H 2 21 LYS HB3 . . 2.700 2.607 2.433 2.793 0.093 7 0 "[ . 1 . 2]" 1
508 2 21 LYS H 2 22 LEU H . . 4.500 2.703 2.556 2.814 . 0 0 "[ . 1 . 2]" 1
509 2 21 LYS HA 2 22 LEU H . . 3.500 3.539 3.505 3.567 0.067 15 0 "[ . 1 . 2]" 1
510 2 21 LYS HA 2 23 VAL H . . 5.500 4.531 4.320 4.724 . 0 0 "[ . 1 . 2]" 1
511 2 21 LYS HA 2 24 GLN H . . 4.500 3.308 2.887 3.613 . 0 0 "[ . 1 . 2]" 1
512 2 21 LYS HA 2 24 GLN HB2 . . 5.500 3.018 2.402 5.118 . 0 0 "[ . 1 . 2]" 1
513 2 21 LYS HA 2 24 GLN HG2 . . 4.500 3.188 2.137 4.132 . 0 0 "[ . 1 . 2]" 1
514 2 21 LYS QB 2 22 LEU H . . 4.500 2.752 2.434 3.028 . 0 0 "[ . 1 . 2]" 1
515 2 21 LYS HG3 2 24 GLN H . . 5.500 5.223 4.593 5.533 0.033 17 0 "[ . 1 . 2]" 1
516 2 22 LEU H 2 22 LEU HB2 . . 3.500 2.174 2.097 2.342 . 0 0 "[ . 1 . 2]" 1
517 2 22 LEU H 2 22 LEU HB3 . . 3.500 3.043 2.440 3.384 . 0 0 "[ . 1 . 2]" 1
518 2 22 LEU H 2 23 VAL HB . . 5.500 4.785 4.598 4.955 . 0 0 "[ . 1 . 2]" 1
519 2 22 LEU H 2 23 VAL MG2 . . 5.500 4.484 4.324 4.629 . 0 0 "[ . 1 . 2]" 1
520 2 22 LEU HA 2 23 VAL H . . 4.500 3.595 3.571 3.622 . 0 0 "[ . 1 . 2]" 1
521 2 22 LEU HA 2 25 ALA MB . . 4.500 3.200 2.719 3.687 . 0 0 "[ . 1 . 2]" 1
522 2 22 LEU HA 2 72 ILE MD . . 5.500 2.100 1.936 2.258 . 0 0 "[ . 1 . 2]" 1
523 2 22 LEU HA 2 72 ILE HG12 . . 4.500 3.617 2.400 4.180 . 0 0 "[ . 1 . 2]" 1
524 2 22 LEU HA 2 72 ILE HG13 . . 4.500 3.365 2.965 4.468 . 0 0 "[ . 1 . 2]" 1
525 2 22 LEU HB2 2 23 VAL H . . 4.500 3.290 2.895 3.805 . 0 0 "[ . 1 . 2]" 1
526 2 22 LEU HB2 2 23 VAL MG2 . . 5.500 4.340 3.881 5.080 . 0 0 "[ . 1 . 2]" 1
527 2 22 LEU HB2 2 26 ILE MD . . 4.500 4.331 3.771 4.619 0.119 3 0 "[ . 1 . 2]" 1
528 2 22 LEU HB3 2 22 LEU MD1 . . 3.500 3.128 2.732 3.275 . 0 0 "[ . 1 . 2]" 1
529 2 22 LEU HB3 2 23 VAL H . . 3.500 2.548 2.335 2.913 . 0 0 "[ . 1 . 2]" 1
530 2 22 LEU HB3 2 23 VAL MG2 . . 4.500 3.280 3.019 3.629 . 0 0 "[ . 1 . 2]" 1
531 2 22 LEU MD1 2 47 ALA HA . . 5.500 5.420 4.947 5.559 0.059 14 0 "[ . 1 . 2]" 1
532 2 22 LEU MD1 2 47 ALA MB . . 5.500 4.565 4.247 4.726 . 0 0 "[ . 1 . 2]" 1
533 2 22 LEU MD1 2 51 GLU HB2 . . 4.500 3.942 3.185 4.399 . 0 0 "[ . 1 . 2]" 1
534 2 22 LEU MD1 2 54 MET HG3 . . 4.500 4.567 4.519 4.610 0.110 6 0 "[ . 1 . 2]" 1
535 2 22 LEU MD1 2 65 TYR HA . . 5.500 5.596 5.518 5.650 0.150 2 0 "[ . 1 . 2]" 1
536 2 22 LEU MD1 2 68 LEU H . . 5.500 4.934 4.709 5.174 . 0 0 "[ . 1 . 2]" 1
537 2 22 LEU MD1 2 68 LEU HA . . 5.500 2.949 2.606 3.304 . 0 0 "[ . 1 . 2]" 1
538 2 22 LEU MD1 2 68 LEU HB2 . . 4.500 3.628 3.525 3.765 . 0 0 "[ . 1 . 2]" 1
539 2 22 LEU MD1 2 68 LEU MD1 . . 5.500 2.535 2.246 2.854 . 0 0 "[ . 1 . 2]" 1
540 2 22 LEU MD1 2 69 ALA H . . 5.500 4.636 4.499 4.780 . 0 0 "[ . 1 . 2]" 1
541 2 22 LEU MD1 2 69 ALA HA . . 4.500 4.284 3.952 4.578 0.078 13 0 "[ . 1 . 2]" 1
542 2 22 LEU MD1 2 72 ILE HG12 . . 4.500 2.748 2.246 3.314 . 0 0 "[ . 1 . 2]" 1
543 2 22 LEU MD2 2 47 ALA HA . . 4.500 3.019 2.741 4.453 . 0 0 "[ . 1 . 2]" 1
544 2 22 LEU MD2 2 47 ALA MB . . 5.500 2.666 2.179 3.877 . 0 0 "[ . 1 . 2]" 1
545 2 22 LEU MD2 2 51 GLU HB2 . . 4.500 2.718 2.091 4.567 0.067 13 0 "[ . 1 . 2]" 1
546 2 22 LEU MD2 2 72 ILE HG12 . . 4.500 3.896 2.675 4.465 . 0 0 "[ . 1 . 2]" 1
547 2 22 LEU MD2 2 72 ILE HG13 . . 4.500 4.441 3.690 4.654 0.154 3 0 "[ . 1 . 2]" 1
548 2 23 VAL H 2 23 VAL HB . . 3.500 2.419 2.310 2.539 . 0 0 "[ . 1 . 2]" 1
549 2 23 VAL H 2 23 VAL MG2 . . 3.500 2.243 2.143 2.410 . 0 0 "[ . 1 . 2]" 1
550 2 23 VAL H 2 24 GLN H . . 4.500 2.987 2.923 3.080 . 0 0 "[ . 1 . 2]" 1
551 2 23 VAL H 2 26 ILE H . . 5.500 4.855 4.749 5.262 . 0 0 "[ . 1 . 2]" 1
552 2 23 VAL HA 2 23 VAL MG1 . . 3.500 2.527 2.437 2.618 . 0 0 "[ . 1 . 2]" 1
553 2 23 VAL HA 2 23 VAL MG2 . . 3.500 2.315 2.272 2.379 . 0 0 "[ . 1 . 2]" 1
554 2 23 VAL HA 2 24 GLN H . . 4.500 3.615 3.595 3.643 . 0 0 "[ . 1 . 2]" 1
555 2 23 VAL HA 2 25 ALA H . . 5.500 4.464 3.934 4.636 . 0 0 "[ . 1 . 2]" 1
556 2 23 VAL HA 2 26 ILE H . . 5.500 3.482 3.255 3.602 . 0 0 "[ . 1 . 2]" 1
557 2 23 VAL HA 2 26 ILE HB . . 4.500 2.532 2.255 2.816 . 0 0 "[ . 1 . 2]" 1
558 2 23 VAL HA 2 27 PHE H . . 4.500 3.813 3.602 4.014 . 0 0 "[ . 1 . 2]" 1
559 2 23 VAL HA 2 43 LEU MD1 . . 5.500 3.993 2.596 5.472 . 0 0 "[ . 1 . 2]" 1
560 2 23 VAL MG1 2 24 GLN H . . 4.500 3.236 2.968 3.380 . 0 0 "[ . 1 . 2]" 1
561 2 23 VAL MG1 2 24 GLN HA . . 5.500 3.351 3.155 3.472 . 0 0 "[ . 1 . 2]" 1
562 2 23 VAL MG1 2 24 GLN HG2 . . 5.500 3.958 3.334 4.955 . 0 0 "[ . 1 . 2]" 1
563 2 23 VAL MG1 2 27 PHE HB2 . . 5.500 5.293 4.946 5.504 0.004 4 0 "[ . 1 . 2]" 1
564 2 23 VAL MG1 2 40 MET ME . . 4.500 1.964 1.876 2.109 . 0 0 "[ . 1 . 2]" 1
565 2 23 VAL MG2 2 43 LEU HB3 . . 5.500 4.612 4.064 5.281 . 0 0 "[ . 1 . 2]" 1
566 2 23 VAL MG2 2 44 VAL HA . . 4.500 2.237 2.062 2.537 . 0 0 "[ . 1 . 2]" 1
567 2 23 VAL MG2 2 47 ALA MB . . 5.500 1.994 1.938 2.049 . 0 0 "[ . 1 . 2]" 1
568 2 24 GLN H 2 25 ALA H . . 4.500 2.870 2.772 2.972 . 0 0 "[ . 1 . 2]" 1
569 2 24 GLN H 2 26 ILE H . . 5.500 4.260 4.126 4.367 . 0 0 "[ . 1 . 2]" 1
570 2 24 GLN HA 2 28 PRO HA . . 4.500 3.247 2.525 4.374 . 0 0 "[ . 1 . 2]" 1
571 2 24 GLN HA 2 29 THR H . . 5.500 4.693 3.643 5.576 0.076 1 0 "[ . 1 . 2]" 1
572 2 24 GLN HB2 2 24 GLN HG2 . . 2.700 2.553 2.326 2.952 0.252 14 0 "[ . 1 . 2]" 1
573 2 24 GLN HB2 2 25 ALA H . . 4.500 2.880 2.561 3.975 . 0 0 "[ . 1 . 2]" 1
574 2 24 GLN HB2 2 25 ALA HA . . 4.500 4.541 4.386 4.608 0.108 11 0 "[ . 1 . 2]" 1
575 2 24 GLN HG2 2 25 ALA H . . 4.500 4.368 2.808 4.596 0.096 6 0 "[ . 1 . 2]" 1
576 2 25 ALA H 2 26 ILE H . . 3.500 2.580 2.208 2.725 . 0 0 "[ . 1 . 2]" 1
577 2 25 ALA H 2 27 PHE H . . 5.500 4.386 3.940 4.514 . 0 0 "[ . 1 . 2]" 1
578 2 25 ALA HA 2 26 ILE H . . 4.500 3.559 3.144 3.615 . 0 0 "[ . 1 . 2]" 1
579 2 25 ALA HA 2 76 GLN HE21 . . 5.500 4.460 3.332 5.579 0.079 17 0 "[ . 1 . 2]" 1
580 2 25 ALA HA 2 76 GLN HE22 . . 5.500 3.774 2.841 5.162 . 0 0 "[ . 1 . 2]" 1
581 2 25 ALA MB 2 26 ILE H . . 4.500 2.704 2.418 3.531 . 0 0 "[ . 1 . 2]" 1
582 2 25 ALA MB 2 26 ILE HA . . 5.500 3.992 3.776 4.443 . 0 0 "[ . 1 . 2]" 1
583 2 25 ALA MB 2 27 PHE H . . 5.500 4.865 4.714 5.199 . 0 0 "[ . 1 . 2]" 1
584 2 25 ALA MB 2 72 ILE HA . . 5.500 3.843 2.930 4.351 . 0 0 "[ . 1 . 2]" 1
585 2 25 ALA MB 2 72 ILE MD . . 4.500 2.046 1.942 2.324 . 0 0 "[ . 1 . 2]" 1
586 2 25 ALA MB 2 72 ILE HG13 . . 5.500 3.856 2.832 4.339 . 0 0 "[ . 1 . 2]" 1
587 2 25 ALA MB 2 72 ILE MG . . 3.500 2.213 1.889 2.950 . 0 0 "[ . 1 . 2]" 1
588 2 25 ALA MB 2 75 ILE MG . . 4.500 4.505 4.011 4.607 0.107 10 0 "[ . 1 . 2]" 1
589 2 25 ALA MB 2 76 GLN HE21 . . 5.500 4.113 2.445 5.522 0.022 17 0 "[ . 1 . 2]" 1
590 2 25 ALA MB 2 76 GLN HE22 . . 5.500 4.125 2.983 5.463 . 0 0 "[ . 1 . 2]" 1
591 2 25 ALA MB 2 76 GLN HG3 . . 5.500 5.413 4.787 5.583 0.083 15 0 "[ . 1 . 2]" 1
592 2 26 ILE H 2 27 PHE H . . 4.500 2.819 2.101 2.981 . 0 0 "[ . 1 . 2]" 1
593 2 26 ILE HA 2 26 ILE HG12 . . 3.500 2.636 2.494 2.866 . 0 0 "[ . 1 . 2]" 1
594 2 26 ILE HA 2 27 PHE H . . 4.500 3.638 3.594 3.664 . 0 0 "[ . 1 . 2]" 1
595 2 26 ILE HB 2 27 PHE H . . 4.500 2.595 2.418 2.769 . 0 0 "[ . 1 . 2]" 1
596 2 26 ILE MD 2 46 TYR QD . . 5.500 3.639 2.526 5.031 . 0 0 "[ . 1 . 2]" 1
597 2 26 ILE MD 2 46 TYR QE . . 5.500 2.625 2.135 3.909 . 0 0 "[ . 1 . 2]" 1
598 2 26 ILE MG 2 27 PHE H . . 4.500 3.217 3.089 3.384 . 0 0 "[ . 1 . 2]" 1
599 2 26 ILE MG 2 27 PHE HA . . 5.500 4.121 3.846 4.229 . 0 0 "[ . 1 . 2]" 1
600 2 26 ILE MG 2 27 PHE HB2 . . 5.500 3.056 2.805 3.241 . 0 0 "[ . 1 . 2]" 1
601 2 26 ILE MG 2 27 PHE HB3 . . 5.500 3.522 3.261 3.789 . 0 0 "[ . 1 . 2]" 1
602 2 26 ILE MG 2 40 MET ME . . 4.500 4.410 4.120 4.517 0.017 13 0 "[ . 1 . 2]" 1
603 2 26 ILE MG 2 75 ILE HA . . 5.500 5.493 5.272 5.579 0.079 7 0 "[ . 1 . 2]" 1
604 2 27 PHE H 2 40 MET ME . . 3.500 3.598 3.530 3.662 0.162 17 0 "[ . 1 . 2]" 1
605 2 27 PHE H 2 43 LEU MD2 . . 5.500 3.698 3.096 5.461 . 0 0 "[ . 1 . 2]" 1
606 2 27 PHE HA 2 28 PRO HD2 . . 4.500 2.452 2.040 2.692 . 0 0 "[ . 1 . 2]" 1
607 2 27 PHE HA 2 28 PRO HD3 . . 4.500 2.257 2.058 2.745 . 0 0 "[ . 1 . 2]" 1
608 2 27 PHE HA 2 28 PRO HG2 . . 5.500 4.515 4.222 4.603 . 0 0 "[ . 1 . 2]" 1
609 2 27 PHE HA 2 29 THR H . . 5.500 4.368 3.498 5.353 . 0 0 "[ . 1 . 2]" 1
610 2 27 PHE HB2 2 40 MET ME . . 5.500 3.777 3.390 4.046 . 0 0 "[ . 1 . 2]" 1
611 2 27 PHE HB2 2 43 LEU MD1 . . 5.500 3.455 2.286 4.638 . 0 0 "[ . 1 . 2]" 1
612 2 27 PHE HB2 2 43 LEU MD2 . . 5.500 3.086 2.223 3.875 . 0 0 "[ . 1 . 2]" 1
613 2 27 PHE HB3 2 43 LEU MD2 . . 5.500 2.787 2.094 4.404 . 0 0 "[ . 1 . 2]" 1
614 2 27 PHE QR 3 14 PHE QR . . 4.500 2.388 2.207 2.933 . 0 0 "[ . 1 . 2]" 1
615 2 27 PHE QD 2 28 PRO HD2 . . 5.500 2.433 2.149 2.776 . 0 0 "[ . 1 . 2]" 1
616 2 27 PHE QD 2 28 PRO HD3 . . 5.500 3.544 3.081 3.852 . 0 0 "[ . 1 . 2]" 1
617 2 27 PHE QD 2 29 THR H . . 5.500 3.344 2.428 4.253 . 0 0 "[ . 1 . 2]" 1
618 2 27 PHE QD 2 34 ALA MB . . 5.500 5.266 4.680 5.540 0.040 13 0 "[ . 1 . 2]" 1
619 2 27 PHE QD 2 43 LEU MD2 . . 5.500 3.182 2.193 4.289 . 0 0 "[ . 1 . 2]" 1
620 2 27 PHE QD 3 18 ASN HB2 . . 4.500 4.232 3.948 4.528 0.028 17 0 "[ . 1 . 2]" 1
621 2 27 PHE QD 3 18 ASN HB3 . . 4.500 4.298 3.970 4.537 0.037 1 0 "[ . 1 . 2]" 1
622 2 27 PHE QD 3 19 THR MG . . 3.500 2.382 2.131 3.402 . 0 0 "[ . 1 . 2]" 1
623 2 27 PHE QE 2 29 THR H . . 4.500 3.848 3.101 4.638 0.138 20 0 "[ . 1 . 2]" 1
624 2 27 PHE QE 2 30 PRO HA . . 4.500 4.521 4.173 4.627 0.127 7 0 "[ . 1 . 2]" 1
625 2 27 PHE QE 2 40 MET ME . . 5.500 4.075 3.359 4.344 . 0 0 "[ . 1 . 2]" 1
626 2 27 PHE QE 2 43 LEU MD2 . . 5.500 4.947 4.068 5.532 0.032 20 0 "[ . 1 . 2]" 1
627 2 27 PHE QE 3 18 ASN HB2 . . 3.500 3.370 3.087 3.530 0.030 13 0 "[ . 1 . 2]" 1
628 2 27 PHE QE 3 18 ASN HB3 . . 3.500 2.709 2.436 3.021 . 0 0 "[ . 1 . 2]" 1
629 2 27 PHE QE 3 19 THR MG . . 3.500 2.841 2.331 3.239 . 0 0 "[ . 1 . 2]" 1
630 2 27 PHE HZ 2 31 ASP H . . 5.500 5.470 5.094 5.609 0.109 6 0 "[ . 1 . 2]" 1
631 2 27 PHE HZ 2 34 ALA MB . . 4.500 3.946 3.382 4.593 0.093 2 0 "[ . 1 . 2]" 1
632 2 27 PHE HZ 3 18 ASN HA . . 4.500 4.556 4.510 4.604 0.104 6 0 "[ . 1 . 2]" 1
633 2 27 PHE HZ 3 18 ASN HB2 . . 3.500 3.329 2.952 3.614 0.114 17 0 "[ . 1 . 2]" 1
634 2 27 PHE HZ 3 18 ASN HB3 . . 3.500 2.295 2.119 2.605 . 0 0 "[ . 1 . 2]" 1
635 2 27 PHE HZ 3 19 THR MG . . 4.500 4.505 4.219 4.581 0.081 19 0 "[ . 1 . 2]" 1
636 2 28 PRO HA 2 29 THR H . . 3.500 2.852 2.147 3.406 . 0 0 "[ . 1 . 2]" 1
637 2 28 PRO HB2 2 29 THR H . . 4.500 3.820 3.346 4.394 . 0 0 "[ . 1 . 2]" 1
638 2 28 PRO HB3 2 29 THR H . . 4.500 4.370 4.082 4.502 0.002 7 0 "[ . 1 . 2]" 1
639 2 28 PRO HD2 2 29 THR H . . 5.500 4.086 3.145 5.164 . 0 0 "[ . 1 . 2]" 1
640 2 28 PRO HD2 3 19 THR MG . . 3.500 2.587 2.119 3.415 . 0 0 "[ . 1 . 2]" 1
641 2 28 PRO HD3 2 29 THR H . . 5.500 4.717 4.145 5.405 . 0 0 "[ . 1 . 2]" 1
642 2 28 PRO HD3 3 15 VAL MG1 . . 4.500 4.538 4.499 4.571 0.071 16 0 "[ . 1 . 2]" 1
643 2 28 PRO HD3 3 19 THR MG . . 5.500 3.705 3.266 4.494 . 0 0 "[ . 1 . 2]" 1
644 2 29 THR H 2 30 PRO HD2 . . 5.500 4.812 4.428 5.353 . 0 0 "[ . 1 . 2]" 1
645 2 29 THR H 2 30 PRO HD3 . . 5.500 4.567 3.685 5.142 . 0 0 "[ . 1 . 2]" 1
646 2 29 THR HA 2 30 PRO HD2 . . 3.500 2.508 2.262 2.963 . 0 0 "[ . 1 . 2]" 1
647 2 29 THR HA 2 30 PRO HD3 . . 3.500 2.332 2.028 2.547 . 0 0 "[ . 1 . 2]" 1
648 2 29 THR HA 2 30 PRO HG2 . . 5.500 4.611 4.485 4.813 . 0 0 "[ . 1 . 2]" 1
649 2 29 THR HB 2 30 PRO HD2 . . 4.500 3.103 2.005 4.243 . 0 0 "[ . 1 . 2]" 1
650 2 29 THR HB 2 30 PRO HD3 . . 4.500 4.075 3.283 4.677 0.177 13 0 "[ . 1 . 2]" 1
651 2 29 THR HB 2 34 ALA MB . . 5.500 3.263 2.072 4.935 . 0 0 "[ . 1 . 2]" 1
652 2 29 THR HB 2 40 MET ME . . 5.500 3.975 2.662 4.944 . 0 0 "[ . 1 . 2]" 1
653 2 29 THR MG 2 30 PRO HD2 . . 5.500 2.943 2.092 4.041 . 0 0 "[ . 1 . 2]" 1
654 2 29 THR MG 2 30 PRO HD3 . . 5.500 3.884 3.181 4.738 . 0 0 "[ . 1 . 2]" 1
655 2 29 THR MG 2 31 ASP H . . 5.500 3.503 2.144 4.381 . 0 0 "[ . 1 . 2]" 1
656 2 29 THR MG 2 32 PRO HA . . 5.500 3.972 2.765 5.504 0.004 15 0 "[ . 1 . 2]" 1
657 2 29 THR MG 2 34 ALA MB . . 5.500 3.037 2.414 4.165 . 0 0 "[ . 1 . 2]" 1
658 2 29 THR MG 2 40 MET ME . . 5.500 3.038 2.042 4.286 . 0 0 "[ . 1 . 2]" 1
659 2 30 PRO HA 2 31 ASP H . . 3.500 3.520 3.497 3.540 0.040 13 0 "[ . 1 . 2]" 1
660 2 30 PRO HA 2 34 ALA MB . . 5.500 5.014 4.769 5.259 . 0 0 "[ . 1 . 2]" 1
661 2 30 PRO HB3 2 31 ASP H . . 4.500 4.127 3.982 4.258 . 0 0 "[ . 1 . 2]" 1
662 2 30 PRO HB3 2 34 ALA MB . . 4.500 4.565 4.527 4.593 0.093 1 0 "[ . 1 . 2]" 1
663 2 30 PRO HG2 2 31 ASP H . . 5.500 2.393 2.108 3.663 . 0 0 "[ . 1 . 2]" 1
664 2 30 PRO HG2 2 34 ALA MB . . 2.700 2.271 2.197 2.747 0.047 6 0 "[ . 1 . 2]" 1
665 2 31 ASP H 2 32 PRO HD2 . . 5.500 4.944 4.896 4.995 . 0 0 "[ . 1 . 2]" 1
666 2 31 ASP H 2 32 PRO HD3 . . 5.500 4.807 4.598 5.002 . 0 0 "[ . 1 . 2]" 1
667 2 31 ASP H 2 34 ALA HA . . 5.500 5.440 5.230 5.522 0.022 14 0 "[ . 1 . 2]" 1
668 2 31 ASP H 2 34 ALA MB . . 5.500 2.599 2.312 2.873 . 0 0 "[ . 1 . 2]" 1
669 2 31 ASP HA 2 32 PRO HD2 . . 3.500 2.678 2.587 2.835 . 0 0 "[ . 1 . 2]" 1
670 2 31 ASP HA 2 32 PRO HD3 . . 3.500 2.356 2.260 2.487 . 0 0 "[ . 1 . 2]" 1
671 2 31 ASP HA 2 32 PRO HG2 . . 5.500 4.757 4.675 4.882 . 0 0 "[ . 1 . 2]" 1
672 2 31 ASP HA 2 32 PRO HG3 . . 5.500 4.660 4.580 4.787 . 0 0 "[ . 1 . 2]" 1
673 2 31 ASP HA 2 33 ALA H . . 4.500 4.252 4.032 4.465 . 0 0 "[ . 1 . 2]" 1
674 2 31 ASP HB2 2 32 PRO HD2 . . 5.500 3.461 2.086 4.020 . 0 0 "[ . 1 . 2]" 1
675 2 31 ASP HB2 2 32 PRO HD3 . . 4.500 4.368 3.178 4.672 0.172 6 0 "[ . 1 . 2]" 1
676 2 31 ASP HB2 2 33 ALA H . . 4.500 3.644 3.101 4.523 0.023 17 0 "[ . 1 . 2]" 1
677 2 31 ASP HB2 2 34 ALA H . . 4.500 3.707 2.596 4.609 0.109 15 0 "[ . 1 . 2]" 1
678 2 31 ASP HB3 2 32 PRO HD2 . . 5.500 2.813 2.095 3.969 . 0 0 "[ . 1 . 2]" 1
679 2 31 ASP HB3 2 32 PRO HD3 . . 4.500 3.895 3.401 4.682 0.182 17 0 "[ . 1 . 2]" 1
680 2 31 ASP HB3 2 33 ALA H . . 4.500 3.122 2.232 4.539 0.039 13 0 "[ . 1 . 2]" 1
681 2 31 ASP HB3 2 34 ALA H . . 4.500 3.763 2.753 4.664 0.164 5 0 "[ . 1 . 2]" 1
682 2 31 ASP HB3 2 34 ALA MB . . 4.500 4.119 2.713 4.534 0.034 14 0 "[ . 1 . 2]" 1
683 2 32 PRO HA 2 33 ALA H . . 5.500 3.492 3.379 3.542 . 0 0 "[ . 1 . 2]" 1
684 2 32 PRO HA 2 34 ALA H . . 5.500 3.946 3.633 4.409 . 0 0 "[ . 1 . 2]" 1
685 2 32 PRO HA 2 35 LEU H . . 5.500 3.377 3.064 3.825 . 0 0 "[ . 1 . 2]" 1
686 2 32 PRO HA 2 35 LEU MD1 . . 5.500 2.566 2.177 3.936 . 0 0 "[ . 1 . 2]" 1
687 2 32 PRO HA 2 35 LEU MD2 . . 5.500 4.195 3.010 4.751 . 0 0 "[ . 1 . 2]" 1
688 2 32 PRO HA 2 35 LEU HG . . 3.500 2.850 2.324 3.547 0.047 10 0 "[ . 1 . 2]" 1
689 2 32 PRO HA 2 36 LYS H . . 5.500 5.392 3.897 5.574 0.074 8 0 "[ . 1 . 2]" 1
690 2 32 PRO HB2 2 33 ALA H . . 4.500 3.821 3.663 4.131 . 0 0 "[ . 1 . 2]" 1
691 2 32 PRO HD2 2 33 ALA H . . 4.500 2.885 2.594 3.314 . 0 0 "[ . 1 . 2]" 1
692 2 32 PRO HD2 2 34 ALA H . . 5.500 4.837 4.706 4.962 . 0 0 "[ . 1 . 2]" 1
693 2 32 PRO HD3 2 33 ALA H . . 4.500 4.032 3.835 4.284 . 0 0 "[ . 1 . 2]" 1
694 2 32 PRO HG2 2 33 ALA H . . 3.500 3.057 2.814 3.441 . 0 0 "[ . 1 . 2]" 1
695 2 33 ALA H 2 33 ALA MB . . 3.500 2.243 2.180 2.407 . 0 0 "[ . 1 . 2]" 1
696 2 33 ALA H 2 35 LEU H . . 5.500 4.290 3.848 4.757 . 0 0 "[ . 1 . 2]" 1
697 2 33 ALA HA 2 36 LYS H . . 4.500 3.687 3.240 4.164 . 0 0 "[ . 1 . 2]" 1
698 2 33 ALA HA 2 36 LYS HE2 . . 5.500 3.896 2.189 5.506 0.006 11 0 "[ . 1 . 2]" 1
699 2 33 ALA MB 2 34 ALA H . . 4.500 2.867 2.511 3.103 . 0 0 "[ . 1 . 2]" 1
700 2 34 ALA H 2 34 ALA MB . . 3.500 2.222 2.194 2.261 . 0 0 "[ . 1 . 2]" 1
701 2 34 ALA H 2 35 LEU H . . 3.500 2.712 2.360 3.007 . 0 0 "[ . 1 . 2]" 1
702 2 34 ALA H 2 36 LYS H . . 4.500 4.244 3.749 4.425 . 0 0 "[ . 1 . 2]" 1
703 2 34 ALA H 2 37 ASP H . . 5.500 5.339 4.821 5.561 0.061 5 0 "[ . 1 . 2]" 1
704 2 34 ALA HA 2 35 LEU H . . 4.500 3.556 3.513 3.627 . 0 0 "[ . 1 . 2]" 1
705 2 34 ALA HA 2 36 LYS H . . 5.500 3.808 3.579 4.564 . 0 0 "[ . 1 . 2]" 1
706 2 34 ALA HA 2 37 ASP HB2 . . 4.500 2.972 2.272 4.071 . 0 0 "[ . 1 . 2]" 1
707 2 34 ALA HA 2 37 ASP HB3 . . 5.500 3.342 2.541 4.098 . 0 0 "[ . 1 . 2]" 1
708 2 34 ALA MB 2 35 LEU H . . 4.500 2.807 2.369 3.085 . 0 0 "[ . 1 . 2]" 1
709 2 34 ALA MB 2 35 LEU HA . . 5.500 4.104 3.897 4.255 . 0 0 "[ . 1 . 2]" 1
710 2 34 ALA MB 3 14 PHE QR . . 5.500 4.715 4.285 5.155 . 0 0 "[ . 1 . 2]" 1
711 2 35 LEU H 2 35 LEU HB3 . . 3.500 3.424 2.489 3.572 0.072 12 0 "[ . 1 . 2]" 1
712 2 35 LEU H 2 36 LYS H . . 4.500 2.782 2.608 2.900 . 0 0 "[ . 1 . 2]" 1
713 2 35 LEU H 2 37 ASP H . . 5.500 4.313 4.146 4.521 . 0 0 "[ . 1 . 2]" 1
714 2 35 LEU H 2 40 MET HB2 . . 5.500 5.279 4.339 5.606 0.106 15 0 "[ . 1 . 2]" 1
715 2 35 LEU H 2 40 MET ME . . 5.500 5.350 5.083 5.531 0.031 14 0 "[ . 1 . 2]" 1
716 2 35 LEU HA 2 37 ASP H . . 4.500 4.052 3.417 4.510 0.010 10 0 "[ . 1 . 2]" 1
717 2 35 LEU HA 2 40 MET HB2 . . 5.500 3.676 2.368 4.384 . 0 0 "[ . 1 . 2]" 1
718 2 35 LEU HA 2 40 MET ME . . 4.500 3.595 2.911 4.332 . 0 0 "[ . 1 . 2]" 1
719 2 35 LEU HA 2 40 MET HG2 . . 5.500 2.551 2.014 4.702 . 0 0 "[ . 1 . 2]" 1
720 2 35 LEU HA 2 40 MET HG3 . . 5.500 3.491 2.106 4.729 . 0 0 "[ . 1 . 2]" 1
721 2 35 LEU HB2 2 36 LYS H . . 4.500 3.194 2.899 4.295 . 0 0 "[ . 1 . 2]" 1
722 2 35 LEU MD1 2 36 LYS H . . 5.500 4.526 2.597 5.096 . 0 0 "[ . 1 . 2]" 1
723 2 35 LEU MD2 2 36 LYS H . . 5.500 4.857 4.581 4.946 . 0 0 "[ . 1 . 2]" 1
724 2 35 LEU MD2 2 40 MET HG2 . . 4.500 3.268 2.149 4.507 0.007 20 0 "[ . 1 . 2]" 1
725 2 35 LEU HG 2 36 LYS H . . 5.500 4.560 3.359 4.845 . 0 0 "[ . 1 . 2]" 1
726 2 36 LYS H 2 36 LYS QB . . 3.500 2.615 2.194 3.031 . 0 0 "[ . 1 . 2]" 1
727 2 36 LYS H 2 36 LYS HG3 . . 4.500 3.291 2.252 4.531 0.031 11 0 "[ . 1 . 2]" 1
728 2 36 LYS H 2 37 ASP H . . 3.500 2.480 2.271 2.727 . 0 0 "[ . 1 . 2]" 1
729 2 36 LYS H 2 37 ASP HA . . 5.500 4.934 4.628 5.307 . 0 0 "[ . 1 . 2]" 1
730 2 36 LYS H 2 37 ASP HB2 . . 5.500 4.411 3.849 4.828 . 0 0 "[ . 1 . 2]" 1
731 2 36 LYS H 2 37 ASP HB3 . . 5.500 4.716 4.139 5.181 . 0 0 "[ . 1 . 2]" 1
732 2 36 LYS QB 2 37 ASP H . . 4.500 3.609 2.848 4.071 . 0 0 "[ . 1 . 2]" 1
733 2 36 LYS HB2 2 37 ASP H . . 4.500 4.024 3.220 4.518 0.018 2 0 "[ . 1 . 2]" 1
734 2 37 ASP H 2 37 ASP HB2 . . 3.500 2.616 2.350 3.123 . 0 0 "[ . 1 . 2]" 1
735 2 37 ASP H 2 37 ASP HB3 . . 3.500 2.552 2.395 2.742 . 0 0 "[ . 1 . 2]" 1
736 2 37 ASP H 2 38 ARG H . . 5.500 4.624 4.476 4.716 . 0 0 "[ . 1 . 2]" 1
737 2 37 ASP H 2 39 ARG H . . 5.500 5.258 4.957 5.500 . 0 0 "[ . 1 . 2]" 1
738 2 37 ASP H 2 40 MET H . . 5.500 4.258 3.850 4.893 . 0 0 "[ . 1 . 2]" 1
739 2 37 ASP H 2 40 MET HB2 . . 5.500 3.891 3.165 4.630 . 0 0 "[ . 1 . 2]" 1
740 2 37 ASP HA 2 38 ARG H . . 3.500 2.255 2.164 2.368 . 0 0 "[ . 1 . 2]" 1
741 2 37 ASP HA 2 39 ARG H . . 4.500 4.215 3.973 4.510 0.010 2 0 "[ . 1 . 2]" 1
742 2 37 ASP HB2 2 38 ARG H . . 5.500 4.081 3.816 4.320 . 0 0 "[ . 1 . 2]" 1
743 2 37 ASP HB2 2 39 ARG H . . 5.500 4.652 4.397 4.894 . 0 0 "[ . 1 . 2]" 1
744 2 37 ASP HB2 2 40 MET H . . 5.500 4.729 4.133 5.509 0.009 2 0 "[ . 1 . 2]" 1
745 2 37 ASP HB3 2 38 ARG H . . 5.500 3.918 3.545 4.112 . 0 0 "[ . 1 . 2]" 1
746 2 37 ASP HB3 2 39 ARG H . . 5.500 3.495 3.215 3.729 . 0 0 "[ . 1 . 2]" 1
747 2 37 ASP HB3 2 40 MET H . . 5.500 3.066 2.414 3.951 . 0 0 "[ . 1 . 2]" 1
748 2 38 ARG H 2 39 ARG H . . 4.500 2.891 2.557 3.049 . 0 0 "[ . 1 . 2]" 1
749 2 38 ARG H 2 40 MET H . . 5.500 4.416 4.141 4.732 . 0 0 "[ . 1 . 2]" 1
750 2 38 ARG HA 2 39 ARG H . . 4.500 3.488 3.324 3.592 . 0 0 "[ . 1 . 2]" 1
751 2 38 ARG HA 2 41 GLU HG2 . . 4.500 4.207 2.911 4.557 0.057 17 0 "[ . 1 . 2]" 1
752 2 38 ARG HB2 2 39 ARG H . . 4.500 3.596 2.658 4.311 . 0 0 "[ . 1 . 2]" 1
753 2 38 ARG HD2 2 39 ARG H . . 4.500 4.277 2.648 4.722 0.222 11 0 "[ . 1 . 2]" 1
754 2 38 ARG QG 2 39 ARG H . . 5.500 3.766 2.180 4.760 . 0 0 "[ . 1 . 2]" 1
755 2 39 ARG H 2 40 MET H . . 4.500 2.613 2.108 2.970 . 0 0 "[ . 1 . 2]" 1
756 2 39 ARG H 2 41 GLU H . . 5.500 4.084 3.773 4.307 . 0 0 "[ . 1 . 2]" 1
757 2 39 ARG HA 2 40 MET H . . 4.500 3.538 3.481 3.581 . 0 0 "[ . 1 . 2]" 1
758 2 39 ARG HA 2 41 GLU H . . 5.500 4.434 3.920 4.868 . 0 0 "[ . 1 . 2]" 1
759 2 39 ARG HA 2 42 ASN H . . 4.500 3.579 2.969 4.477 . 0 0 "[ . 1 . 2]" 1
760 2 39 ARG HA 2 42 ASN HB2 . . 4.500 3.485 2.405 4.528 0.028 20 0 "[ . 1 . 2]" 1
761 2 39 ARG HA 2 43 LEU H . . 5.500 4.897 3.899 5.545 0.045 7 0 "[ . 1 . 2]" 1
762 2 39 ARG HA 3 14 PHE QR . . 5.500 4.517 3.753 4.878 . 0 0 "[ . 1 . 2]" 1
763 2 39 ARG HB2 2 40 MET H . . 4.500 3.303 2.599 4.099 . 0 0 "[ . 1 . 2]" 1
764 2 39 ARG HB3 2 40 MET H . . 4.500 3.718 2.963 4.067 . 0 0 "[ . 1 . 2]" 1
765 2 39 ARG QG 2 40 MET H . . 5.500 4.057 2.228 4.810 . 0 0 "[ . 1 . 2]" 1
766 2 40 MET H 2 41 GLU H . . 4.500 2.520 2.030 2.732 . 0 0 "[ . 1 . 2]" 1
767 2 40 MET HA 2 41 GLU H . . 4.500 3.588 3.531 3.621 . 0 0 "[ . 1 . 2]" 1
768 2 40 MET HA 2 43 LEU H . . 4.500 3.102 2.761 3.372 . 0 0 "[ . 1 . 2]" 1
769 2 40 MET HA 2 43 LEU HB2 . . 4.500 3.309 2.592 4.228 . 0 0 "[ . 1 . 2]" 1
770 2 40 MET HA 2 43 LEU HB3 . . 5.500 2.795 2.252 4.793 . 0 0 "[ . 1 . 2]" 1
771 2 40 MET HA 2 43 LEU MD2 . . 5.500 4.006 3.056 4.782 . 0 0 "[ . 1 . 2]" 1
772 2 40 MET HA 2 44 VAL H . . 4.500 3.999 3.766 4.275 . 0 0 "[ . 1 . 2]" 1
773 2 40 MET ME 2 43 LEU MD2 . . 5.500 2.716 2.078 4.381 . 0 0 "[ . 1 . 2]" 1
774 2 40 MET ME 2 44 VAL H . . 4.500 4.429 3.754 4.563 0.063 7 0 "[ . 1 . 2]" 1
775 2 40 MET HG2 2 41 GLU H . . 5.500 5.013 4.350 5.279 . 0 0 "[ . 1 . 2]" 1
776 2 40 MET HG3 2 41 GLU H . . 5.500 4.438 4.091 5.545 0.045 12 0 "[ . 1 . 2]" 1
777 2 40 MET HG3 2 44 VAL MG2 . . 5.500 2.931 2.322 5.506 0.006 20 0 "[ . 1 . 2]" 1
778 2 41 GLU H 2 42 ASN H . . 4.500 2.900 2.773 2.988 . 0 0 "[ . 1 . 2]" 1
779 2 41 GLU H 2 43 LEU H . . 4.500 4.379 4.246 4.501 0.001 5 0 "[ . 1 . 2]" 1
780 2 41 GLU H 2 44 VAL H . . 5.500 4.733 4.652 4.805 . 0 0 "[ . 1 . 2]" 1
781 2 41 GLU H 2 44 VAL MG1 . . 5.500 5.586 5.567 5.617 0.117 13 0 "[ . 1 . 2]" 1
782 2 41 GLU H 2 44 VAL MG2 . . 5.500 4.460 4.144 4.708 . 0 0 "[ . 1 . 2]" 1
783 2 41 GLU HA 2 41 GLU HG3 . . 3.500 3.052 2.371 3.670 0.170 19 0 "[ . 1 . 2]" 1
784 2 41 GLU HA 2 42 ASN H . . 3.500 3.556 3.520 3.583 0.083 11 0 "[ . 1 . 2]" 1
785 2 41 GLU HA 2 43 LEU H . . 4.500 4.402 4.186 4.519 0.019 15 0 "[ . 1 . 2]" 1
786 2 41 GLU HA 2 44 VAL HB . . 4.500 2.163 2.002 2.294 . 0 0 "[ . 1 . 2]" 1
787 2 41 GLU HA 2 44 VAL MG1 . . 4.500 3.339 3.246 3.414 . 0 0 "[ . 1 . 2]" 1
788 2 41 GLU HA 2 44 VAL MG2 . . 4.500 3.041 2.771 3.226 . 0 0 "[ . 1 . 2]" 1
789 2 41 GLU HB2 2 42 ASN H . . 4.500 3.394 2.809 4.100 . 0 0 "[ . 1 . 2]" 1
790 2 41 GLU HB3 2 42 ASN H . . 5.500 3.417 2.633 4.312 . 0 0 "[ . 1 . 2]" 1
791 2 41 GLU HG2 2 42 ASN H . . 5.500 4.673 3.190 5.163 . 0 0 "[ . 1 . 2]" 1
792 2 41 GLU HG3 2 42 ASN H . . 5.500 4.579 2.715 5.219 . 0 0 "[ . 1 . 2]" 1
793 2 42 ASN H 2 42 ASN HB2 . . 3.500 2.480 2.288 2.592 . 0 0 "[ . 1 . 2]" 1
794 2 42 ASN H 2 43 LEU H . . 3.500 2.714 2.512 2.864 . 0 0 "[ . 1 . 2]" 1
795 2 42 ASN H 2 44 VAL H . . 5.500 4.197 4.005 4.350 . 0 0 "[ . 1 . 2]" 1
796 2 42 ASN H 2 45 ALA H . . 5.500 4.686 4.563 4.811 . 0 0 "[ . 1 . 2]" 1
797 2 42 ASN HA 2 43 LEU H . . 4.500 3.580 3.543 3.611 . 0 0 "[ . 1 . 2]" 1
798 2 42 ASN HA 2 45 ALA H . . 4.500 3.488 3.240 3.866 . 0 0 "[ . 1 . 2]" 1
799 2 42 ASN HA 2 45 ALA MB . . 3.500 2.655 2.415 3.078 . 0 0 "[ . 1 . 2]" 1
800 2 42 ASN HA 2 46 TYR H . . 5.500 4.068 3.823 4.645 . 0 0 "[ . 1 . 2]" 1
801 2 42 ASN HA 3 11 ILE MD . . 4.500 4.353 3.884 4.531 0.031 9 0 "[ . 1 . 2]" 1
802 2 42 ASN HB2 2 43 LEU H . . 4.500 2.865 2.483 3.873 . 0 0 "[ . 1 . 2]" 1
803 2 42 ASN HB2 3 11 ILE MD . . 4.500 3.950 2.428 4.561 0.061 20 0 "[ . 1 . 2]" 1
804 2 42 ASN HB2 3 11 ILE HG12 . . 5.500 5.183 4.332 5.521 0.021 3 0 "[ . 1 . 2]" 1
805 2 43 LEU H 2 44 VAL H . . 3.500 2.664 2.500 2.826 . 0 0 "[ . 1 . 2]" 1
806 2 43 LEU H 2 44 VAL HB . . 4.500 4.484 4.405 4.528 0.028 17 0 "[ . 1 . 2]" 1
807 2 43 LEU H 2 45 ALA H . . 5.500 4.170 4.092 4.276 . 0 0 "[ . 1 . 2]" 1
808 2 43 LEU HA 2 44 VAL H . . 3.500 3.549 3.534 3.575 0.075 10 0 "[ . 1 . 2]" 1
809 2 43 LEU HA 2 46 TYR HB2 . . 4.500 4.101 3.601 4.618 0.118 8 0 "[ . 1 . 2]" 1
810 2 43 LEU HA 2 46 TYR QD . . 5.500 2.663 2.071 3.516 . 0 0 "[ . 1 . 2]" 1
811 2 43 LEU HA 3 11 ILE HA . . 5.500 5.212 4.714 5.638 0.138 8 0 "[ . 1 . 2]" 1
812 2 43 LEU HB2 2 44 VAL H . . 4.500 3.738 2.466 4.028 . 0 0 "[ . 1 . 2]" 1
813 2 43 LEU HB3 2 43 LEU MD1 . . 3.500 2.792 2.325 3.281 . 0 0 "[ . 1 . 2]" 1
814 2 43 LEU HB3 2 44 VAL H . . 4.500 2.584 2.284 3.611 . 0 0 "[ . 1 . 2]" 1
815 2 43 LEU QD 3 14 PHE QR . . 5.500 2.734 1.967 3.982 . 0 0 "[ . 1 . 2]" 1
816 2 43 LEU HG 2 44 VAL H . . 4.500 4.122 3.189 4.576 0.076 19 0 "[ . 1 . 2]" 1
817 2 44 VAL H 2 44 VAL HB . . 3.500 2.300 2.208 2.460 . 0 0 "[ . 1 . 2]" 1
818 2 44 VAL H 2 45 ALA H . . 3.500 2.929 2.792 2.999 . 0 0 "[ . 1 . 2]" 1
819 2 44 VAL H 2 46 TYR H . . 5.500 4.353 4.169 4.531 . 0 0 "[ . 1 . 2]" 1
820 2 44 VAL HA 2 45 ALA H . . 4.500 3.603 3.581 3.623 . 0 0 "[ . 1 . 2]" 1
821 2 44 VAL HA 2 46 TYR H . . 5.500 4.662 4.474 4.865 . 0 0 "[ . 1 . 2]" 1
822 2 44 VAL HA 2 47 ALA H . . 5.500 3.511 3.365 3.734 . 0 0 "[ . 1 . 2]" 1
823 2 44 VAL HA 2 47 ALA MB . . 4.500 2.512 2.373 2.646 . 0 0 "[ . 1 . 2]" 1
824 2 44 VAL HA 2 48 LYS H . . 5.500 3.991 3.920 4.097 . 0 0 "[ . 1 . 2]" 1
825 2 44 VAL HB 2 45 ALA H . . 4.500 2.722 2.601 2.792 . 0 0 "[ . 1 . 2]" 1
826 2 44 VAL MG1 2 45 ALA H . . 4.500 3.139 2.981 3.370 . 0 0 "[ . 1 . 2]" 1
827 2 44 VAL MG1 2 45 ALA HA . . 4.500 3.444 3.342 3.566 . 0 0 "[ . 1 . 2]" 1
828 2 44 VAL MG1 2 45 ALA MB . . 4.500 3.733 3.540 4.026 . 0 0 "[ . 1 . 2]" 1
829 2 44 VAL MG1 2 48 LYS QD . . 4.500 2.971 2.724 3.437 . 0 0 "[ . 1 . 2]" 1
830 2 44 VAL MG1 2 48 LYS QE . . 4.500 2.392 2.001 3.961 . 0 0 "[ . 1 . 2]" 1
831 2 44 VAL MG1 2 48 LYS HG2 . . 4.500 4.384 3.998 4.498 . 0 0 "[ . 1 . 2]" 1
832 2 44 VAL MG1 2 48 LYS QG . . 5.500 3.101 2.815 3.221 . 0 0 "[ . 1 . 2]" 1
833 2 44 VAL MG2 2 45 ALA H . . 5.500 4.088 4.023 4.139 . 0 0 "[ . 1 . 2]" 1
834 2 45 ALA H 2 45 ALA MB . . 3.500 2.206 2.192 2.218 . 0 0 "[ . 1 . 2]" 1
835 2 45 ALA H 2 48 LYS H . . 4.500 4.633 4.594 4.660 0.160 15 0 "[ . 1 . 2]" 1
836 2 45 ALA HA 2 46 TYR H . . 4.500 3.604 3.588 3.639 . 0 0 "[ . 1 . 2]" 1
837 2 45 ALA HA 2 48 LYS QB . . 4.500 2.459 2.338 2.578 . 0 0 "[ . 1 . 2]" 1
838 2 45 ALA HA 2 48 LYS QG . . 5.500 3.628 3.390 3.882 . 0 0 "[ . 1 . 2]" 1
839 2 45 ALA MB 2 46 TYR HA . . 5.500 4.067 3.999 4.104 . 0 0 "[ . 1 . 2]" 1
840 2 46 TYR H 2 46 TYR HB2 . . 3.500 2.998 2.667 3.427 . 0 0 "[ . 1 . 2]" 1
841 2 46 TYR H 2 47 ALA H . . 4.500 2.822 2.688 2.894 . 0 0 "[ . 1 . 2]" 1
842 2 46 TYR HA 2 47 ALA H . . 4.500 3.613 3.593 3.630 . 0 0 "[ . 1 . 2]" 1
843 2 46 TYR HA 2 48 LYS H . . 5.500 4.573 4.428 4.762 . 0 0 "[ . 1 . 2]" 1
844 2 46 TYR HA 2 49 LYS H . . 4.500 3.437 3.249 3.746 . 0 0 "[ . 1 . 2]" 1
845 2 46 TYR HA 2 49 LYS QB . . 4.500 2.534 2.397 2.717 . 0 0 "[ . 1 . 2]" 1
846 2 46 TYR HA 2 50 VAL H . . 4.500 3.922 3.805 4.091 . 0 0 "[ . 1 . 2]" 1
847 2 46 TYR HB2 2 47 ALA H . . 4.500 4.146 4.040 4.277 . 0 0 "[ . 1 . 2]" 1
848 2 46 TYR QD 2 47 ALA H . . 4.500 2.990 2.614 3.706 . 0 0 "[ . 1 . 2]" 1
849 2 46 TYR QD 2 47 ALA HA . . 5.500 3.779 3.111 4.245 . 0 0 "[ . 1 . 2]" 1
850 2 46 TYR QD 2 47 ALA MB . . 5.500 3.509 3.010 4.325 . 0 0 "[ . 1 . 2]" 1
851 2 46 TYR QD 2 50 VAL MG2 . . 5.500 2.911 2.158 3.691 . 0 0 "[ . 1 . 2]" 1
852 2 46 TYR QD 2 75 ILE MD . . 5.500 5.009 4.414 5.439 . 0 0 "[ . 1 . 2]" 1
853 2 46 TYR QD 3 6 ILE MG . . 5.500 5.413 4.489 5.643 0.143 20 0 "[ . 1 . 2]" 1
854 2 46 TYR QD 3 7 LEU HA . . 4.500 4.512 4.370 4.613 0.113 6 0 "[ . 1 . 2]" 1
855 2 46 TYR QD 3 7 LEU MD1 . . 4.500 4.280 3.926 4.573 0.073 8 0 "[ . 1 . 2]" 1
856 2 46 TYR QD 3 7 LEU QD . . 4.500 4.219 3.890 4.498 . 0 0 "[ . 1 . 2]" 1
857 2 46 TYR QD 3 8 PRO HB2 . . 4.500 4.121 3.674 4.402 . 0 0 "[ . 1 . 2]" 1
858 2 46 TYR QD 3 8 PRO HB3 . . 5.500 5.133 4.792 5.465 . 0 0 "[ . 1 . 2]" 1
859 2 46 TYR QD 3 8 PRO HD2 . . 4.500 2.953 2.760 3.301 . 0 0 "[ . 1 . 2]" 1
860 2 46 TYR QD 3 8 PRO HD3 . . 3.500 3.530 3.372 3.633 0.133 19 0 "[ . 1 . 2]" 1
861 2 46 TYR QD 3 11 ILE HB . . 4.500 3.986 2.793 4.430 . 0 0 "[ . 1 . 2]" 1
862 2 46 TYR QD 3 11 ILE HG12 . . 4.500 3.287 2.299 4.513 0.013 20 0 "[ . 1 . 2]" 1
863 2 46 TYR QD 3 11 ILE MG . . 3.500 2.722 2.199 3.175 . 0 0 "[ . 1 . 2]" 1
864 2 46 TYR QE 2 50 VAL MG1 . . 5.500 4.264 3.423 4.940 . 0 0 "[ . 1 . 2]" 1
865 2 46 TYR QE 2 50 VAL MG2 . . 4.500 2.817 2.394 3.413 . 0 0 "[ . 1 . 2]" 1
866 2 46 TYR QE 2 75 ILE MD . . 3.500 3.164 2.386 3.586 0.086 18 0 "[ . 1 . 2]" 1
867 2 46 TYR QE 3 6 ILE MG . . 4.500 3.800 2.830 4.037 . 0 0 "[ . 1 . 2]" 1
868 2 46 TYR QE 3 7 LEU HA . . 3.500 2.745 2.291 3.222 . 0 0 "[ . 1 . 2]" 1
869 2 46 TYR QE 3 7 LEU HB2 . . 4.500 4.371 4.121 4.529 0.029 10 0 "[ . 1 . 2]" 1
870 2 46 TYR QE 3 7 LEU MD1 . . 3.500 2.945 2.205 3.374 . 0 0 "[ . 1 . 2]" 1
871 2 46 TYR QE 3 7 LEU QD . . 4.500 2.920 2.201 3.323 . 0 0 "[ . 1 . 2]" 1
872 2 46 TYR QE 3 8 PRO HB2 . . 4.500 4.548 4.225 4.644 0.144 20 0 "[ . 1 . 2]" 1
873 2 46 TYR QE 3 8 PRO HB3 . . 5.500 5.594 5.521 5.702 0.202 15 0 "[ . 1 . 2]" 1
874 2 46 TYR QE 3 8 PRO HD2 . . 3.500 2.335 2.067 2.773 . 0 0 "[ . 1 . 2]" 1
875 2 46 TYR QE 3 11 ILE HB . . 4.500 4.188 2.778 4.584 0.084 1 0 "[ . 1 . 2]" 1
876 2 46 TYR QE 3 11 ILE MG . . 4.500 2.851 1.986 3.560 . 0 0 "[ . 1 . 2]" 1
877 2 47 ALA H 2 48 LYS H . . 3.500 2.877 2.809 2.933 . 0 0 "[ . 1 . 2]" 1
878 2 47 ALA H 2 49 LYS H . . 5.500 4.325 4.133 4.420 . 0 0 "[ . 1 . 2]" 1
879 2 47 ALA HA 2 48 LYS H . . 5.500 3.629 3.610 3.654 . 0 0 "[ . 1 . 2]" 1
880 2 47 ALA HA 2 50 VAL H . . 4.500 3.564 3.375 3.896 . 0 0 "[ . 1 . 2]" 1
881 2 47 ALA HA 2 50 VAL HB . . 4.500 2.829 2.471 3.455 . 0 0 "[ . 1 . 2]" 1
882 2 47 ALA HA 2 50 VAL MG2 . . 5.500 3.638 3.275 4.304 . 0 0 "[ . 1 . 2]" 1
883 2 47 ALA MB 2 48 LYS H . . 4.500 2.584 2.500 2.676 . 0 0 "[ . 1 . 2]" 1
884 2 47 ALA MB 2 50 VAL H . . 5.500 4.789 4.670 4.970 . 0 0 "[ . 1 . 2]" 1
885 2 48 LYS H 2 49 LYS H . . 3.500 2.823 2.749 2.879 . 0 0 "[ . 1 . 2]" 1
886 2 48 LYS HA 2 51 GLU H . . 4.500 3.604 3.519 3.742 . 0 0 "[ . 1 . 2]" 1
887 2 48 LYS HD2 2 48 LYS HG3 . . 2.700 2.479 2.450 2.503 . 0 0 "[ . 1 . 2]" 1
888 2 48 LYS QG 2 49 LYS H . . 5.500 4.269 4.217 4.355 . 0 0 "[ . 1 . 2]" 1
889 2 48 LYS HG2 2 51 GLU HB2 . . 5.500 5.508 5.163 5.569 0.069 5 0 "[ . 1 . 2]" 1
890 2 49 LYS H 2 49 LYS HB2 . . 2.700 2.457 2.349 2.623 . 0 0 "[ . 1 . 2]" 1
891 2 49 LYS H 2 49 LYS QB . . 3.500 2.225 2.190 2.268 . 0 0 "[ . 1 . 2]" 1
892 2 49 LYS H 2 50 VAL H . . 3.500 2.860 2.739 2.919 . 0 0 "[ . 1 . 2]" 1
893 2 49 LYS H 2 50 VAL MG2 . . 5.500 4.551 4.422 4.618 . 0 0 "[ . 1 . 2]" 1
894 2 49 LYS H 2 51 GLU H . . 5.500 4.307 4.155 4.420 . 0 0 "[ . 1 . 2]" 1
895 2 49 LYS H 2 52 GLY H . . 5.500 4.882 4.690 5.220 . 0 0 "[ . 1 . 2]" 1
896 2 49 LYS HA 2 50 VAL H . . 4.500 3.592 3.577 3.603 . 0 0 "[ . 1 . 2]" 1
897 2 49 LYS HA 2 53 ASP H . . 5.500 4.530 4.195 4.923 . 0 0 "[ . 1 . 2]" 1
898 2 49 LYS QB 2 50 VAL H . . 3.500 2.521 2.411 2.582 . 0 0 "[ . 1 . 2]" 1
899 2 50 VAL H 2 50 VAL HB . . 3.500 2.476 2.405 2.587 . 0 0 "[ . 1 . 2]" 1
900 2 50 VAL H 2 50 VAL MG2 . . 3.500 2.308 2.211 2.359 . 0 0 "[ . 1 . 2]" 1
901 2 50 VAL HA 2 50 VAL MG1 . . 3.500 2.458 2.315 2.549 . 0 0 "[ . 1 . 2]" 1
902 2 50 VAL HA 2 50 VAL MG2 . . 3.500 2.335 2.292 2.395 . 0 0 "[ . 1 . 2]" 1
903 2 50 VAL HA 2 53 ASP H . . 4.500 3.254 2.810 3.519 . 0 0 "[ . 1 . 2]" 1
904 2 50 VAL HA 2 53 ASP HB2 . . 4.500 3.348 2.349 3.776 . 0 0 "[ . 1 . 2]" 1
905 2 50 VAL HA 2 53 ASP HB3 . . 4.500 2.780 2.355 3.983 . 0 0 "[ . 1 . 2]" 1
906 2 50 VAL HA 2 54 MET ME . . 4.500 4.013 3.469 4.523 0.023 15 0 "[ . 1 . 2]" 1
907 2 50 VAL HB 2 51 GLU H . . 3.500 2.732 2.497 3.044 . 0 0 "[ . 1 . 2]" 1
908 2 50 VAL MG1 2 51 GLU H . . 5.500 3.364 3.101 3.766 . 0 0 "[ . 1 . 2]" 1
909 2 50 VAL MG1 2 54 MET ME . . 4.500 2.541 2.039 3.426 . 0 0 "[ . 1 . 2]" 1
910 2 50 VAL MG1 2 54 MET HG3 . . 5.500 2.855 2.544 3.583 . 0 0 "[ . 1 . 2]" 1
911 2 50 VAL MG1 2 71 LYS QE . . 5.500 3.714 2.038 5.256 . 0 0 "[ . 1 . 2]" 1
912 2 50 VAL MG1 2 71 LYS QG . . 5.500 3.165 2.247 4.153 . 0 0 "[ . 1 . 2]" 1
913 2 50 VAL MG1 3 6 ILE MD . . 4.500 3.511 2.147 4.419 . 0 0 "[ . 1 . 2]" 1
914 2 50 VAL MG1 3 6 ILE MG . . 4.500 3.047 2.214 3.849 . 0 0 "[ . 1 . 2]" 1
915 2 50 VAL MG2 2 51 GLU H . . 4.500 4.050 3.929 4.163 . 0 0 "[ . 1 . 2]" 1
916 2 50 VAL MG2 2 54 MET ME . . 4.500 3.987 3.441 4.455 . 0 0 "[ . 1 . 2]" 1
917 2 50 VAL MG2 3 6 ILE MD . . 5.500 3.993 2.128 5.489 . 0 0 "[ . 1 . 2]" 1
918 2 50 VAL MG2 3 6 ILE MG . . 4.500 3.244 2.104 4.061 . 0 0 "[ . 1 . 2]" 1
919 2 51 GLU HA 2 54 MET H . . 4.500 3.642 3.416 3.894 . 0 0 "[ . 1 . 2]" 1
920 2 51 GLU HA 2 55 TYR H . . 4.500 4.095 3.892 4.221 . 0 0 "[ . 1 . 2]" 1
921 2 51 GLU HA 2 68 LEU MD1 . . 4.500 4.046 3.813 4.448 . 0 0 "[ . 1 . 2]" 1
922 2 51 GLU HA 2 68 LEU MD2 . . 4.500 2.174 2.036 2.402 . 0 0 "[ . 1 . 2]" 1
923 2 51 GLU HB2 2 52 GLY H . . 4.500 3.868 3.804 4.023 . 0 0 "[ . 1 . 2]" 1
924 2 52 GLY H 2 53 ASP H . . 3.500 2.815 2.735 2.903 . 0 0 "[ . 1 . 2]" 1
925 2 52 GLY H 2 55 TYR H . . 5.500 4.819 4.763 4.952 . 0 0 "[ . 1 . 2]" 1
926 2 52 GLY HA2 2 53 ASP H . . 4.500 3.574 3.451 3.617 . 0 0 "[ . 1 . 2]" 1
927 2 52 GLY HA2 2 55 TYR H . . 4.500 3.596 3.425 3.931 . 0 0 "[ . 1 . 2]" 1
928 2 52 GLY HA2 2 55 TYR HB2 . . 5.500 3.381 3.168 3.723 . 0 0 "[ . 1 . 2]" 1
929 2 52 GLY HA2 2 55 TYR HB3 . . 5.500 2.499 2.325 2.745 . 0 0 "[ . 1 . 2]" 1
930 2 52 GLY HA3 2 53 ASP H . . 4.500 3.014 2.924 3.214 . 0 0 "[ . 1 . 2]" 1
931 2 53 ASP H 2 53 ASP HB2 . . 3.500 2.559 2.369 2.820 . 0 0 "[ . 1 . 2]" 1
932 2 53 ASP H 2 53 ASP HB3 . . 3.500 2.572 2.455 3.566 0.066 12 0 "[ . 1 . 2]" 1
933 2 53 ASP H 2 54 MET H . . 3.500 2.458 2.170 2.591 . 0 0 "[ . 1 . 2]" 1
934 2 53 ASP H 2 54 MET HG3 . . 5.500 5.578 5.531 5.610 0.110 19 0 "[ . 1 . 2]" 1
935 2 53 ASP H 2 55 TYR H . . 5.500 3.931 3.523 4.118 . 0 0 "[ . 1 . 2]" 1
936 2 53 ASP HA 2 56 GLU H . . 4.500 3.402 3.184 3.651 . 0 0 "[ . 1 . 2]" 1
937 2 53 ASP HA 2 56 GLU HB2 . . 4.500 3.111 2.570 3.867 . 0 0 "[ . 1 . 2]" 1
938 2 53 ASP HA 2 56 GLU HB3 . . 4.500 3.593 2.475 4.527 0.027 7 0 "[ . 1 . 2]" 1
939 2 53 ASP HA 2 56 GLU HG2 . . 4.500 4.452 4.243 4.569 0.069 19 0 "[ . 1 . 2]" 1
940 2 53 ASP HB2 2 54 MET H . . 4.500 3.857 2.656 3.974 . 0 0 "[ . 1 . 2]" 1
941 2 53 ASP HB2 2 54 MET ME . . 5.500 4.717 3.016 5.542 0.042 2 0 "[ . 1 . 2]" 1
942 2 53 ASP HB3 2 54 MET H . . 4.500 2.764 2.584 3.571 . 0 0 "[ . 1 . 2]" 1
943 2 53 ASP HB3 2 54 MET ME . . 4.500 3.337 2.593 4.091 . 0 0 "[ . 1 . 2]" 1
944 2 54 MET H 2 55 TYR H . . 3.500 2.594 2.504 2.698 . 0 0 "[ . 1 . 2]" 1
945 2 54 MET H 2 55 TYR HB3 . . 4.500 4.551 4.492 4.584 0.084 13 0 "[ . 1 . 2]" 1
946 2 54 MET H 2 56 GLU H . . 5.500 4.186 3.938 4.290 . 0 0 "[ . 1 . 2]" 1
947 2 54 MET H 2 67 LEU MD1 . . 5.500 5.373 5.056 5.526 0.026 4 0 "[ . 1 . 2]" 1
948 2 54 MET HA 2 55 TYR H . . 4.500 3.565 3.545 3.587 . 0 0 "[ . 1 . 2]" 1
949 2 54 MET HA 2 67 LEU MD1 . . 4.500 2.901 2.615 3.084 . 0 0 "[ . 1 . 2]" 1
950 2 54 MET HB2 2 55 TYR H . . 3.500 2.633 2.502 2.724 . 0 0 "[ . 1 . 2]" 1
951 2 54 MET HB3 2 55 TYR H . . 4.500 3.687 3.603 3.760 . 0 0 "[ . 1 . 2]" 1
952 2 54 MET ME 2 67 LEU MD1 . . 5.500 4.133 3.233 4.791 . 0 0 "[ . 1 . 2]" 1
953 2 54 MET ME 2 67 LEU MD2 . . 5.500 3.761 3.393 4.192 . 0 0 "[ . 1 . 2]" 1
954 2 54 MET ME 2 71 LYS HD3 . . 4.500 3.419 2.333 4.525 0.025 12 0 "[ . 1 . 2]" 1
955 2 54 MET ME 2 71 LYS HG2 . . 4.500 3.393 2.254 4.552 0.052 2 0 "[ . 1 . 2]" 1
956 2 54 MET HG3 2 68 LEU MD2 . . 3.500 2.230 2.145 2.418 . 0 0 "[ . 1 . 2]" 1
957 2 54 MET HG3 3 6 ILE MD . . 5.500 5.344 4.285 5.544 0.044 20 0 "[ . 1 . 2]" 1
958 2 55 TYR H 2 56 GLU H . . 3.500 2.849 2.748 2.944 . 0 0 "[ . 1 . 2]" 1
959 2 55 TYR H 2 57 SER H . . 5.500 4.068 3.950 4.370 . 0 0 "[ . 1 . 2]" 1
960 2 55 TYR HA 2 58 ALA MB . . 5.500 3.266 2.902 3.769 . 0 0 "[ . 1 . 2]" 1
961 2 55 TYR HB2 2 56 GLU H . . 4.500 3.851 3.745 4.081 . 0 0 "[ . 1 . 2]" 1
962 2 55 TYR HB2 2 57 SER H . . 5.500 5.579 5.390 5.636 0.136 20 0 "[ . 1 . 2]" 1
963 2 55 TYR HB2 2 68 LEU MD2 . . 4.500 4.343 4.127 4.538 0.038 5 0 "[ . 1 . 2]" 1
964 2 55 TYR HB3 2 56 GLU H . . 4.500 2.516 2.384 2.998 . 0 0 "[ . 1 . 2]" 1
965 2 55 TYR QD 2 56 GLU H . . 5.500 3.333 2.961 4.012 . 0 0 "[ . 1 . 2]" 1
966 2 56 GLU H 2 56 GLU HB2 . . 3.500 2.363 2.257 2.539 . 0 0 "[ . 1 . 2]" 1
967 2 56 GLU H 2 56 GLU HB3 . . 3.500 3.084 2.389 3.570 0.070 8 0 "[ . 1 . 2]" 1
968 2 56 GLU H 2 58 ALA H . . 5.500 4.515 4.353 4.719 . 0 0 "[ . 1 . 2]" 1
969 2 56 GLU HA 2 57 SER H . . 3.500 3.454 3.188 3.529 0.029 19 0 "[ . 1 . 2]" 1
970 2 56 GLU HB2 2 57 SER H . . 4.500 3.701 3.097 4.250 . 0 0 "[ . 1 . 2]" 1
971 2 56 GLU HB3 2 57 SER H . . 4.500 3.555 2.912 4.330 . 0 0 "[ . 1 . 2]" 1
972 2 56 GLU HG2 2 57 SER H . . 5.500 4.842 3.912 5.565 0.065 17 0 "[ . 1 . 2]" 1
973 2 57 SER H 2 57 SER HB2 . . 3.500 2.604 2.314 3.649 0.149 13 0 "[ . 1 . 2]" 1
974 2 57 SER H 2 58 ALA H . . 3.500 2.573 2.252 2.840 . 0 0 "[ . 1 . 2]" 1
975 2 57 SER H 2 58 ALA MB . . 5.500 3.998 3.533 4.196 . 0 0 "[ . 1 . 2]" 1
976 2 57 SER H 2 67 LEU MD1 . . 5.500 4.166 3.755 4.578 . 0 0 "[ . 1 . 2]" 1
977 2 57 SER HA 2 58 ALA H . . 4.500 3.432 3.147 3.578 . 0 0 "[ . 1 . 2]" 1
978 2 57 SER HB2 2 58 ALA H . . 4.500 3.464 2.736 3.962 . 0 0 "[ . 1 . 2]" 1
979 2 57 SER HB2 2 58 ALA MB . . 5.500 4.151 3.772 5.171 . 0 0 "[ . 1 . 2]" 1
980 2 57 SER HB2 2 67 LEU MD1 . . 5.500 2.722 2.156 4.009 . 0 0 "[ . 1 . 2]" 1
981 2 57 SER HB2 2 67 LEU MD2 . . 5.500 4.438 3.857 5.432 . 0 0 "[ . 1 . 2]" 1
982 2 58 ALA H 2 59 ASN H . . 4.500 4.538 4.395 4.608 0.108 13 0 "[ . 1 . 2]" 1
983 2 58 ALA H 2 67 LEU MD1 . . 5.500 3.576 3.153 4.018 . 0 0 "[ . 1 . 2]" 1
984 2 58 ALA HA 2 59 ASN H . . 3.500 2.145 2.087 2.206 . 0 0 "[ . 1 . 2]" 1
985 2 58 ALA HA 2 60 SER H . . 4.500 3.713 3.549 3.922 . 0 0 "[ . 1 . 2]" 1
986 2 58 ALA HA 2 63 GLU HG3 . . 5.500 4.522 4.290 4.955 . 0 0 "[ . 1 . 2]" 1
987 2 58 ALA HA 2 67 LEU MD1 . . 4.500 2.971 2.572 3.438 . 0 0 "[ . 1 . 2]" 1
988 2 58 ALA MB 2 59 ASN H . . 4.500 2.937 2.562 3.224 . 0 0 "[ . 1 . 2]" 1
989 2 58 ALA MB 2 60 SER H . . 4.500 2.555 2.412 2.709 . 0 0 "[ . 1 . 2]" 1
990 2 58 ALA MB 2 63 GLU H . . 5.500 4.039 3.875 4.274 . 0 0 "[ . 1 . 2]" 1
991 2 58 ALA MB 2 63 GLU HB2 . . 4.500 4.006 3.819 4.289 . 0 0 "[ . 1 . 2]" 1
992 2 58 ALA MB 2 63 GLU HG3 . . 4.500 4.153 3.862 4.498 . 0 0 "[ . 1 . 2]" 1
993 2 58 ALA MB 2 64 TYR H . . 5.500 2.499 2.410 2.634 . 0 0 "[ . 1 . 2]" 1
994 2 58 ALA MB 2 64 TYR HA . . 3.500 2.271 2.072 2.429 . 0 0 "[ . 1 . 2]" 1
995 2 58 ALA MB 2 64 TYR HB2 . . 5.500 2.171 2.071 2.328 . 0 0 "[ . 1 . 2]" 1
996 2 58 ALA MB 2 64 TYR HB3 . . 4.500 3.132 2.936 3.335 . 0 0 "[ . 1 . 2]" 1
997 2 58 ALA MB 2 65 TYR H . . 5.500 4.649 4.566 4.782 . 0 0 "[ . 1 . 2]" 1
998 2 58 ALA MB 2 67 LEU MD1 . . 4.500 2.181 2.085 2.278 . 0 0 "[ . 1 . 2]" 1
999 2 59 ASN H 2 60 SER H . . 3.500 2.503 2.147 2.700 . 0 0 "[ . 1 . 2]" 1
1000 2 59 ASN H 2 63 GLU HB2 . . 5.500 4.181 3.923 4.434 . 0 0 "[ . 1 . 2]" 1
1001 2 59 ASN H 2 67 LEU MD1 . . 5.500 4.542 4.060 5.175 . 0 0 "[ . 1 . 2]" 1
1002 2 59 ASN HA 2 60 SER H . . 4.500 3.408 3.263 3.530 . 0 0 "[ . 1 . 2]" 1
1003 2 59 ASN HB2 2 60 SER H . . 4.500 4.119 3.272 4.542 0.042 18 0 "[ . 1 . 2]" 1
1004 2 59 ASN HB3 2 60 SER H . . 4.500 3.930 2.998 4.503 0.003 20 0 "[ . 1 . 2]" 1
1005 2 59 ASN HD21 2 60 SER H . . 5.500 4.142 3.179 5.549 0.049 15 0 "[ . 1 . 2]" 1
1006 2 60 SER H 2 61 ARG H . . 5.500 4.418 4.373 4.462 . 0 0 "[ . 1 . 2]" 1
1007 2 60 SER H 2 63 GLU H . . 4.500 3.719 3.525 3.905 . 0 0 "[ . 1 . 2]" 1
1008 2 60 SER H 2 63 GLU HB2 . . 4.500 3.648 3.357 3.854 . 0 0 "[ . 1 . 2]" 1
1009 2 60 SER H 2 63 GLU HG2 . . 5.500 4.318 4.193 4.428 . 0 0 "[ . 1 . 2]" 1
1010 2 60 SER H 2 63 GLU HG3 . . 5.500 5.226 5.062 5.381 . 0 0 "[ . 1 . 2]" 1
1011 2 60 SER H 2 64 TYR H . . 4.500 3.741 3.638 3.828 . 0 0 "[ . 1 . 2]" 1
1012 2 60 SER HA 2 61 ARG H . . 3.500 2.361 2.309 2.421 . 0 0 "[ . 1 . 2]" 1
1013 2 60 SER HA 2 62 ASP H . . 5.500 4.341 4.190 4.597 . 0 0 "[ . 1 . 2]" 1
1014 2 60 SER HB2 2 61 ARG H . . 2.700 2.535 2.463 2.654 . 0 0 "[ . 1 . 2]" 1
1015 2 60 SER HB2 2 62 ASP H . . 4.500 2.966 2.805 3.252 . 0 0 "[ . 1 . 2]" 1
1016 2 61 ARG H 2 62 ASP H . . 3.500 2.757 2.689 2.911 . 0 0 "[ . 1 . 2]" 1
1017 2 61 ARG H 2 63 GLU H . . 5.500 4.317 4.194 4.440 . 0 0 "[ . 1 . 2]" 1
1018 2 61 ARG HA 2 64 TYR H . . 4.500 3.434 3.155 3.705 . 0 0 "[ . 1 . 2]" 1
1019 2 61 ARG HA 2 64 TYR HB3 . . 5.500 2.351 2.100 2.696 . 0 0 "[ . 1 . 2]" 1
1020 2 61 ARG HA 2 65 TYR H . . 5.500 3.951 3.758 4.172 . 0 0 "[ . 1 . 2]" 1
1021 2 61 ARG HB2 2 62 ASP H . . 4.500 3.900 3.753 4.378 . 0 0 "[ . 1 . 2]" 1
1022 2 61 ARG HB3 2 62 ASP H . . 4.500 2.752 2.463 4.101 . 0 0 "[ . 1 . 2]" 1
1023 2 61 ARG HD3 2 62 ASP H . . 5.500 5.011 2.501 5.629 0.129 7 0 "[ . 1 . 2]" 1
1024 2 61 ARG QG 2 62 ASP H . . 4.500 3.935 3.281 4.454 . 0 0 "[ . 1 . 2]" 1
1025 2 61 ARG HG2 2 65 TYR H . . 4.500 4.361 3.989 4.585 0.085 11 0 "[ . 1 . 2]" 1
1026 2 62 ASP H 2 62 ASP HB2 . . 3.500 2.575 2.236 3.584 0.084 2 0 "[ . 1 . 2]" 1
1027 2 62 ASP H 2 62 ASP HB3 . . 3.500 2.734 2.404 3.584 0.084 11 0 "[ . 1 . 2]" 1
1028 2 62 ASP H 2 63 GLU H . . 3.500 2.749 2.570 2.888 . 0 0 "[ . 1 . 2]" 1
1029 2 62 ASP H 2 64 TYR H . . 5.500 4.123 3.982 4.217 . 0 0 "[ . 1 . 2]" 1
1030 2 62 ASP HA 2 63 GLU H . . 4.500 3.617 3.585 3.633 . 0 0 "[ . 1 . 2]" 1
1031 2 62 ASP HA 2 65 TYR H . . 4.500 3.695 3.393 3.994 . 0 0 "[ . 1 . 2]" 1
1032 2 62 ASP HA 2 65 TYR QD . . 4.500 3.112 2.405 3.511 . 0 0 "[ . 1 . 2]" 1
1033 2 62 ASP HB2 2 63 GLU H . . 5.500 3.653 2.662 4.099 . 0 0 "[ . 1 . 2]" 1
1034 2 62 ASP HB3 2 63 GLU H . . 5.500 2.988 2.530 4.116 . 0 0 "[ . 1 . 2]" 1
1035 2 63 GLU H 2 63 GLU HB2 . . 3.500 2.536 2.440 2.625 . 0 0 "[ . 1 . 2]" 1
1036 2 63 GLU H 2 64 TYR H . . 3.500 2.691 2.588 2.738 . 0 0 "[ . 1 . 2]" 1
1037 2 63 GLU H 2 64 TYR HB3 . . 4.500 4.456 4.322 4.522 0.022 16 0 "[ . 1 . 2]" 1
1038 2 63 GLU HA 2 66 HIS HB2 . . 3.500 3.315 3.106 3.496 . 0 0 "[ . 1 . 2]" 1
1039 2 63 GLU HA 2 66 HIS HB3 . . 4.500 2.377 2.265 2.558 . 0 0 "[ . 1 . 2]" 1
1040 2 63 GLU HA 2 66 HIS HD2 . . 5.500 4.077 3.715 4.490 . 0 0 "[ . 1 . 2]" 1
1041 2 63 GLU HB2 2 64 TYR H . . 4.500 3.999 3.909 4.080 . 0 0 "[ . 1 . 2]" 1
1042 2 63 GLU HG2 2 66 HIS H . . 5.500 5.492 5.369 5.535 0.035 18 0 "[ . 1 . 2]" 1
1043 2 63 GLU HG2 2 67 LEU H . . 5.500 4.346 4.164 4.495 . 0 0 "[ . 1 . 2]" 1
1044 2 63 GLU HG2 2 67 LEU MD1 . . 4.500 2.581 2.354 3.138 . 0 0 "[ . 1 . 2]" 1
1045 2 63 GLU HG3 2 67 LEU MD1 . . 4.500 3.678 3.371 4.165 . 0 0 "[ . 1 . 2]" 1
1046 2 64 TYR H 2 64 TYR HB3 . . 3.500 2.120 2.068 2.187 . 0 0 "[ . 1 . 2]" 1
1047 2 64 TYR H 2 65 TYR H . . 3.500 2.999 2.937 3.095 . 0 0 "[ . 1 . 2]" 1
1048 2 64 TYR H 2 66 HIS H . . 5.500 4.179 4.080 4.250 . 0 0 "[ . 1 . 2]" 1
1049 2 64 TYR HA 2 65 TYR H . . 4.500 3.625 3.600 3.656 . 0 0 "[ . 1 . 2]" 1
1050 2 64 TYR HA 2 67 LEU HB2 . . 4.500 2.751 2.571 2.941 . 0 0 "[ . 1 . 2]" 1
1051 2 64 TYR HA 2 67 LEU HB3 . . 4.500 4.349 4.164 4.514 0.014 12 0 "[ . 1 . 2]" 1
1052 2 64 TYR HB2 2 65 TYR H . . 4.500 3.954 3.808 4.025 . 0 0 "[ . 1 . 2]" 1
1053 2 64 TYR HB3 2 65 TYR H . . 4.500 2.664 2.408 2.834 . 0 0 "[ . 1 . 2]" 1
1054 2 64 TYR QD 2 65 TYR H . . 4.500 2.777 2.652 2.911 . 0 0 "[ . 1 . 2]" 1
1055 2 64 TYR QE 2 65 TYR H . . 4.500 4.570 4.515 4.627 0.127 4 0 "[ . 1 . 2]" 1
1056 2 64 TYR QE 2 68 LEU MD1 . . 5.500 2.640 2.298 2.930 . 0 0 "[ . 1 . 2]" 1
1057 2 65 TYR H 2 66 HIS H . . 3.500 3.045 2.958 3.160 . 0 0 "[ . 1 . 2]" 1
1058 2 65 TYR H 2 67 LEU H . . 5.500 4.524 4.399 4.642 . 0 0 "[ . 1 . 2]" 1
1059 2 65 TYR HA 2 68 LEU H . . 4.500 3.522 3.367 3.672 . 0 0 "[ . 1 . 2]" 1
1060 2 65 TYR HA 2 68 LEU HB2 . . 4.500 2.662 2.541 2.830 . 0 0 "[ . 1 . 2]" 1
1061 2 65 TYR HA 2 68 LEU HB3 . . 4.500 4.268 4.158 4.398 . 0 0 "[ . 1 . 2]" 1
1062 2 65 TYR HA 2 68 LEU MD1 . . 4.500 2.660 2.237 3.341 . 0 0 "[ . 1 . 2]" 1
1063 2 65 TYR HA 2 68 LEU HG . . 4.500 3.394 3.158 3.683 . 0 0 "[ . 1 . 2]" 1
1064 2 65 TYR HA 2 69 ALA H . . 4.500 3.862 3.699 4.077 . 0 0 "[ . 1 . 2]" 1
1065 2 65 TYR HA 2 69 ALA MB . . 5.500 4.331 4.000 4.567 . 0 0 "[ . 1 . 2]" 1
1066 2 65 TYR HB2 2 66 HIS H . . 4.500 3.093 2.646 4.160 . 0 0 "[ . 1 . 2]" 1
1067 2 65 TYR HB3 2 66 HIS H . . 4.500 3.017 2.786 3.282 . 0 0 "[ . 1 . 2]" 1
1068 2 65 TYR QD 2 66 HIS H . . 4.500 4.096 2.654 4.581 0.081 17 0 "[ . 1 . 2]" 1
1069 2 66 HIS H 2 66 HIS HB2 . . 3.500 2.511 2.426 2.627 . 0 0 "[ . 1 . 2]" 1
1070 2 66 HIS H 2 66 HIS HB3 . . 3.500 2.516 2.403 2.649 . 0 0 "[ . 1 . 2]" 1
1071 2 66 HIS H 2 67 LEU H . . 3.500 2.868 2.820 2.900 . 0 0 "[ . 1 . 2]" 1
1072 2 66 HIS HA 2 67 LEU H . . 4.500 3.598 3.579 3.612 . 0 0 "[ . 1 . 2]" 1
1073 2 66 HIS HA 2 69 ALA H . . 4.500 3.538 3.372 3.711 . 0 0 "[ . 1 . 2]" 1
1074 2 66 HIS HA 2 69 ALA MB . . 3.500 2.617 2.353 2.820 . 0 0 "[ . 1 . 2]" 1
1075 2 66 HIS HA 2 70 GLU H . . 4.500 3.893 3.735 4.071 . 0 0 "[ . 1 . 2]" 1
1076 2 66 HIS HB2 2 67 LEU H . . 4.500 3.984 3.895 4.072 . 0 0 "[ . 1 . 2]" 1
1077 2 66 HIS HD2 2 67 LEU MD1 . . 5.500 4.974 4.471 5.351 . 0 0 "[ . 1 . 2]" 1
1078 2 66 HIS HD2 2 67 LEU MD2 . . 5.500 3.666 3.118 4.352 . 0 0 "[ . 1 . 2]" 1
1079 2 66 HIS HD2 2 67 LEU HG . . 5.500 3.609 3.056 4.090 . 0 0 "[ . 1 . 2]" 1
1080 2 67 LEU H 2 67 LEU HG . . 2.700 2.571 2.449 2.686 . 0 0 "[ . 1 . 2]" 1
1081 2 67 LEU H 2 68 LEU H . . 3.500 2.815 2.778 2.869 . 0 0 "[ . 1 . 2]" 1
1082 2 67 LEU H 2 68 LEU HG . . 5.500 4.889 4.775 5.027 . 0 0 "[ . 1 . 2]" 1
1083 2 67 LEU HA 2 67 LEU HG . . 3.500 2.930 2.812 3.168 . 0 0 "[ . 1 . 2]" 1
1084 2 67 LEU HA 2 70 GLU H . . 4.500 3.474 3.325 3.747 . 0 0 "[ . 1 . 2]" 1
1085 2 67 LEU HA 2 70 GLU HB2 . . 4.500 3.577 3.291 4.043 . 0 0 "[ . 1 . 2]" 1
1086 2 67 LEU HA 2 70 GLU HB3 . . 4.500 2.748 2.571 3.045 . 0 0 "[ . 1 . 2]" 1
1087 2 67 LEU HA 2 71 LYS H . . 4.500 4.083 3.768 4.532 0.032 19 0 "[ . 1 . 2]" 1
1088 2 67 LEU HB2 2 68 LEU H . . 4.500 2.710 2.609 2.827 . 0 0 "[ . 1 . 2]" 1
1089 2 68 LEU H 2 68 LEU HB2 . . 3.500 2.505 2.440 2.561 . 0 0 "[ . 1 . 2]" 1
1090 2 68 LEU H 2 69 ALA H . . 4.500 2.827 2.735 2.906 . 0 0 "[ . 1 . 2]" 1
1091 2 68 LEU H 2 70 GLU H . . 5.500 4.278 4.213 4.360 . 0 0 "[ . 1 . 2]" 1
1092 2 68 LEU HA 2 68 LEU MD2 . . 3.500 2.154 2.105 2.259 . 0 0 "[ . 1 . 2]" 1
1093 2 68 LEU HA 2 69 ALA H . . 4.500 3.591 3.575 3.606 . 0 0 "[ . 1 . 2]" 1
1094 2 68 LEU HA 2 71 LYS H . . 4.500 3.788 3.480 4.069 . 0 0 "[ . 1 . 2]" 1
1095 2 68 LEU HA 2 71 LYS QB . . 4.500 3.206 2.578 4.511 0.011 18 0 "[ . 1 . 2]" 1
1096 2 68 LEU HB3 2 69 ALA H . . 3.500 3.372 3.209 3.508 0.008 8 0 "[ . 1 . 2]" 1
1097 2 68 LEU MD1 2 69 ALA H . . 5.500 4.375 4.210 4.644 . 0 0 "[ . 1 . 2]" 1
1098 2 68 LEU MD2 2 69 ALA H . . 5.500 4.699 4.623 4.762 . 0 0 "[ . 1 . 2]" 1
1099 2 69 ALA H 2 70 GLU H . . 3.500 2.810 2.734 2.867 . 0 0 "[ . 1 . 2]" 1
1100 2 69 ALA HA 2 72 ILE H . . 4.500 3.294 3.001 3.597 . 0 0 "[ . 1 . 2]" 1
1101 2 69 ALA HA 2 72 ILE HB . . 4.500 2.240 2.019 2.585 . 0 0 "[ . 1 . 2]" 1
1102 2 69 ALA HA 2 72 ILE MD . . 4.500 4.274 3.354 4.636 0.136 7 0 "[ . 1 . 2]" 1
1103 2 69 ALA HA 2 73 TYR H . . 4.500 3.910 3.740 4.183 . 0 0 "[ . 1 . 2]" 1
1104 2 69 ALA MB 2 70 GLU H . . 4.500 2.785 2.691 2.884 . 0 0 "[ . 1 . 2]" 1
1105 2 69 ALA MB 2 70 GLU HA . . 5.500 4.127 4.060 4.193 . 0 0 "[ . 1 . 2]" 1
1106 2 69 ALA MB 2 73 TYR H . . 5.500 4.453 4.337 4.640 . 0 0 "[ . 1 . 2]" 1
1107 2 70 GLU H 2 70 GLU HB2 . . 3.500 2.513 2.470 2.562 . 0 0 "[ . 1 . 2]" 1
1108 2 70 GLU H 2 70 GLU HB3 . . 3.500 2.511 2.420 2.564 . 0 0 "[ . 1 . 2]" 1
1109 2 70 GLU H 2 71 LYS H . . 3.500 2.801 2.691 2.869 . 0 0 "[ . 1 . 2]" 1
1110 2 70 GLU HA 2 70 GLU HG3 . . 3.500 2.568 2.436 3.105 . 0 0 "[ . 1 . 2]" 1
1111 2 70 GLU HA 2 73 TYR HB2 . . 3.500 3.386 2.620 3.534 0.034 14 0 "[ . 1 . 2]" 1
1112 2 70 GLU HA 2 73 TYR HB3 . . 3.500 2.740 2.380 3.324 . 0 0 "[ . 1 . 2]" 1
1113 2 70 GLU HB2 2 71 LYS H . . 4.500 3.947 3.867 4.051 . 0 0 "[ . 1 . 2]" 1
1114 2 71 LYS H 2 71 LYS QB . . 3.500 2.245 2.111 2.528 . 0 0 "[ . 1 . 2]" 1
1115 2 71 LYS H 2 72 ILE H . . 3.500 2.694 2.562 2.871 . 0 0 "[ . 1 . 2]" 1
1116 2 71 LYS HA 2 72 ILE H . . 4.500 3.556 3.500 3.616 . 0 0 "[ . 1 . 2]" 1
1117 2 71 LYS HA 2 74 LYS QB . . 4.500 2.402 2.046 3.014 . 0 0 "[ . 1 . 2]" 1
1118 2 71 LYS HA 2 74 LYS QD . . 4.500 4.026 3.286 4.686 0.186 15 0 "[ . 1 . 2]" 1
1119 2 71 LYS HA 3 6 ILE MD . . 4.500 4.067 2.714 4.513 0.013 20 0 "[ . 1 . 2]" 1
1120 2 71 LYS HA 3 6 ILE MG . . 4.500 3.481 2.504 4.536 0.036 14 0 "[ . 1 . 2]" 1
1121 2 71 LYS QB 2 72 ILE H . . 4.500 2.922 2.626 3.580 . 0 0 "[ . 1 . 2]" 1
1122 2 71 LYS QB 2 75 ILE MD . . 4.500 3.518 2.884 4.362 . 0 0 "[ . 1 . 2]" 1
1123 2 71 LYS QB 3 6 ILE MD . . 3.500 3.315 2.130 3.680 0.180 19 0 "[ . 1 . 2]" 1
1124 2 71 LYS QB 3 6 ILE MG . . 3.500 2.871 2.244 3.517 0.017 15 0 "[ . 1 . 2]" 1
1125 2 71 LYS QD 3 6 ILE MD . . 3.500 3.062 2.232 3.558 0.058 13 0 "[ . 1 . 2]" 1
1126 2 71 LYS QD 3 6 ILE MG . . 3.500 3.026 1.995 3.659 0.159 9 0 "[ . 1 . 2]" 1
1127 2 71 LYS QG 2 75 ILE MD . . 4.500 3.489 2.150 4.520 0.020 7 0 "[ . 1 . 2]" 1
1128 2 71 LYS HG3 2 75 ILE H . . 5.500 5.187 4.396 5.666 0.166 16 0 "[ . 1 . 2]" 1
1129 2 72 ILE H 2 72 ILE HG12 . . 4.500 2.709 2.355 3.348 . 0 0 "[ . 1 . 2]" 1
1130 2 72 ILE H 2 72 ILE HG13 . . 4.500 3.374 2.538 3.934 . 0 0 "[ . 1 . 2]" 1
1131 2 72 ILE H 2 73 TYR H . . 3.500 2.872 2.757 2.985 . 0 0 "[ . 1 . 2]" 1
1132 2 72 ILE H 2 73 TYR HB2 . . 5.500 5.138 4.754 5.293 . 0 0 "[ . 1 . 2]" 1
1133 2 72 ILE HA 2 73 TYR H . . 5.500 3.613 3.566 3.682 . 0 0 "[ . 1 . 2]" 1
1134 2 72 ILE HA 2 75 ILE H . . 4.500 3.720 3.331 4.389 . 0 0 "[ . 1 . 2]" 1
1135 2 72 ILE HA 2 75 ILE HB . . 3.500 2.988 2.605 3.568 0.068 13 0 "[ . 1 . 2]" 1
1136 2 72 ILE HA 2 76 GLN H . . 4.500 3.896 3.498 4.519 0.019 10 0 "[ . 1 . 2]" 1
1137 2 72 ILE HB 2 73 TYR H . . 4.500 2.687 2.206 2.976 . 0 0 "[ . 1 . 2]" 1
1138 2 72 ILE MG 2 74 LYS H . . 5.500 5.050 4.883 5.198 . 0 0 "[ . 1 . 2]" 1
1139 2 72 ILE MG 2 76 GLN H . . 5.500 4.077 3.772 4.372 . 0 0 "[ . 1 . 2]" 1
1140 2 72 ILE MG 2 76 GLN HG2 . . 4.500 4.320 4.007 4.549 0.049 12 0 "[ . 1 . 2]" 1
1141 2 73 TYR H 2 73 TYR HB2 . . 2.700 2.382 2.051 2.539 . 0 0 "[ . 1 . 2]" 1
1142 2 73 TYR H 2 73 TYR HB3 . . 2.700 2.569 2.330 2.952 0.252 16 0 "[ . 1 . 2]" 1
1143 2 73 TYR H 2 74 LYS H . . 3.500 2.885 2.734 3.048 . 0 0 "[ . 1 . 2]" 1
1144 2 73 TYR H 2 75 ILE H . . 5.500 4.525 4.303 4.742 . 0 0 "[ . 1 . 2]" 1
1145 2 73 TYR HA 2 73 TYR QD . . 3.500 2.849 2.062 3.158 . 0 0 "[ . 1 . 2]" 1
1146 2 73 TYR HA 2 75 ILE H . . 5.500 4.749 4.449 4.972 . 0 0 "[ . 1 . 2]" 1
1147 2 73 TYR HA 2 76 GLN HB2 . . 5.500 3.804 2.376 4.833 . 0 0 "[ . 1 . 2]" 1
1148 2 73 TYR HA 2 76 GLN HB3 . . 4.500 2.949 2.601 3.516 . 0 0 "[ . 1 . 2]" 1
1149 2 73 TYR HA 2 76 GLN HG3 . . 5.500 5.297 4.818 5.601 0.101 5 0 "[ . 1 . 2]" 1
1150 2 73 TYR HB2 2 74 LYS H . . 4.500 3.810 3.463 3.973 . 0 0 "[ . 1 . 2]" 1
1151 2 73 TYR HB3 2 74 LYS H . . 4.500 2.552 2.375 2.868 . 0 0 "[ . 1 . 2]" 1
1152 2 73 TYR QD 2 74 LYS H . . 5.500 3.504 2.962 4.529 . 0 0 "[ . 1 . 2]" 1
1153 2 73 TYR QD 2 77 LYS HB3 . . 5.000 4.380 2.890 5.087 0.087 17 0 "[ . 1 . 2]" 1
1154 2 73 TYR QD 2 77 LYS HG2 . . 4.000 3.647 2.753 4.210 0.210 18 0 "[ . 1 . 2]" 1
1155 2 73 TYR QD 2 77 LYS HG3 . . 5.000 3.914 2.228 5.073 0.073 19 0 "[ . 1 . 2]" 1
1156 2 73 TYR QE 2 77 LYS HB2 . . 5.000 4.138 2.325 5.001 0.001 1 0 "[ . 1 . 2]" 1
1157 2 73 TYR QE 2 77 LYS HB3 . . 5.000 4.092 2.084 5.060 0.060 16 0 "[ . 1 . 2]" 1
1158 2 73 TYR QE 2 77 LYS HD2 . . 5.000 3.083 2.065 4.736 . 0 0 "[ . 1 . 2]" 1
1159 2 73 TYR QE 2 77 LYS HD3 . . 5.000 3.650 2.679 4.793 . 0 0 "[ . 1 . 2]" 1
1160 2 73 TYR QE 2 77 LYS QE . . 5.500 4.356 3.550 4.995 . 0 0 "[ . 1 . 2]" 1
1161 2 73 TYR QE 2 77 LYS HG2 . . 5.000 3.790 2.455 4.307 . 0 0 "[ . 1 . 2]" 1
1162 2 73 TYR QE 2 77 LYS QG . . 5.500 3.063 2.227 3.925 . 0 0 "[ . 1 . 2]" 1
1163 2 74 LYS H 2 75 ILE H . . 3.500 3.025 2.950 3.110 . 0 0 "[ . 1 . 2]" 1
1164 2 74 LYS HA 2 75 ILE H . . 4.500 3.602 3.584 3.629 . 0 0 "[ . 1 . 2]" 1
1165 2 74 LYS HA 2 77 LYS H . . 4.500 4.105 3.728 4.523 0.023 6 0 "[ . 1 . 2]" 1
1166 2 74 LYS HA 2 77 LYS QB . . 5.500 3.866 2.894 5.486 . 0 0 "[ . 1 . 2]" 1
1167 2 74 LYS HA 2 78 GLU H . . 5.500 3.968 3.642 4.437 . 0 0 "[ . 1 . 2]" 1
1168 2 74 LYS QB 2 75 ILE H . . 4.500 2.478 2.276 2.881 . 0 0 "[ . 1 . 2]" 1
1169 2 74 LYS QE 2 79 LEU MD1 . . 5.500 5.313 4.405 5.581 0.081 8 0 "[ . 1 . 2]" 1
1170 2 74 LYS QG 2 75 ILE H . . 5.500 3.397 2.892 4.095 . 0 0 "[ . 1 . 2]" 1
1171 2 74 LYS QG 2 76 GLN H . . 5.500 5.410 5.186 5.632 0.132 14 0 "[ . 1 . 2]" 1
1172 2 75 ILE H 2 75 ILE HB . . 3.500 2.407 2.272 2.616 . 0 0 "[ . 1 . 2]" 1
1173 2 75 ILE H 2 76 GLN H . . 4.500 2.844 2.571 3.082 . 0 0 "[ . 1 . 2]" 1
1174 2 75 ILE HA 2 75 ILE MG . . 3.500 2.520 2.323 2.686 . 0 0 "[ . 1 . 2]" 1
1175 2 75 ILE HA 2 76 GLN H . . 4.500 3.601 3.559 3.636 . 0 0 "[ . 1 . 2]" 1
1176 2 75 ILE HA 2 78 GLU H . . 4.500 4.031 3.498 4.434 . 0 0 "[ . 1 . 2]" 1
1177 2 75 ILE HA 2 78 GLU HB2 . . 4.500 4.138 3.066 4.546 0.046 4 0 "[ . 1 . 2]" 1
1178 2 75 ILE HA 2 78 GLU HB3 . . 4.500 3.226 2.391 4.562 0.062 18 0 "[ . 1 . 2]" 1
1179 2 75 ILE MD 3 6 ILE MD . . 5.500 4.645 3.975 5.401 . 0 0 "[ . 1 . 2]" 1
1180 2 75 ILE MD 3 6 ILE MG . . 5.500 2.738 2.120 4.164 . 0 0 "[ . 1 . 2]" 1
1181 2 75 ILE MD 3 7 LEU MD1 . . 3.500 2.967 2.275 3.512 0.012 4 0 "[ . 1 . 2]" 1
1182 2 75 ILE MD 3 7 LEU QD . . 4.500 2.798 2.013 3.361 . 0 0 "[ . 1 . 2]" 1
1183 2 75 ILE MG 2 76 GLN H . . 5.500 3.233 2.889 3.622 . 0 0 "[ . 1 . 2]" 1
1184 2 75 ILE MG 3 7 LEU QD . . 4.500 2.486 2.183 2.794 . 0 0 "[ . 1 . 2]" 1
1185 2 75 ILE MG 3 15 VAL MG1 . . 3.500 3.549 3.430 3.600 0.100 10 0 "[ . 1 . 2]" 1
1186 2 76 GLN H 2 77 LYS H . . 4.500 2.875 2.665 3.050 . 0 0 "[ . 1 . 2]" 1
1187 2 76 GLN H 2 78 GLU H . . 5.500 4.254 3.959 4.629 . 0 0 "[ . 1 . 2]" 1
1188 2 76 GLN HA 2 76 GLN HG3 . . 3.500 2.902 2.382 3.223 . 0 0 "[ . 1 . 2]" 1
1189 2 76 GLN HA 2 79 LEU H . . 4.500 3.832 3.408 4.394 . 0 0 "[ . 1 . 2]" 1
1190 2 76 GLN HA 2 79 LEU MD2 . . 5.500 3.864 2.753 5.158 . 0 0 "[ . 1 . 2]" 1
1191 2 76 GLN HB2 2 77 LYS H . . 4.500 3.779 3.302 4.095 . 0 0 "[ . 1 . 2]" 1
1192 2 76 GLN HG2 2 77 LYS H . . 5.500 4.632 4.308 5.143 . 0 0 "[ . 1 . 2]" 1
1193 2 76 GLN HG3 2 80 GLU H . . 4.500 4.551 4.488 4.620 0.120 11 0 "[ . 1 . 2]" 1
1194 2 77 LYS H 2 77 LYS HG2 . . 4.500 2.790 2.127 4.529 0.029 7 0 "[ . 1 . 2]" 1
1195 2 77 LYS H 2 78 GLU H . . 4.500 2.692 2.637 2.813 . 0 0 "[ . 1 . 2]" 1
1196 2 77 LYS HA 2 77 LYS QD . . 4.500 3.607 2.333 4.531 0.031 10 0 "[ . 1 . 2]" 1
1197 2 77 LYS HA 2 78 GLU H . . 5.500 3.515 3.430 3.578 . 0 0 "[ . 1 . 2]" 1
1198 2 77 LYS QB 2 78 GLU H . . 4.500 3.008 2.311 3.885 . 0 0 "[ . 1 . 2]" 1
1199 2 77 LYS QG 2 78 GLU H . . 5.500 3.742 2.699 4.299 . 0 0 "[ . 1 . 2]" 1
1200 2 77 LYS HG2 2 78 GLU H . . 4.500 4.241 3.215 4.759 0.259 16 0 "[ . 1 . 2]" 1
1201 2 78 GLU H 2 78 GLU HB2 . . 3.500 2.496 2.265 2.719 . 0 0 "[ . 1 . 2]" 1
1202 2 78 GLU H 2 78 GLU HB3 . . 3.500 2.619 2.426 3.539 0.039 18 0 "[ . 1 . 2]" 1
1203 2 78 GLU H 2 79 LEU H . . 3.500 2.779 2.564 2.957 . 0 0 "[ . 1 . 2]" 1
1204 2 78 GLU H 2 80 GLU H . . 5.500 4.224 3.886 4.571 . 0 0 "[ . 1 . 2]" 1
1205 2 78 GLU HA 2 81 GLU H . . 5.500 4.034 3.388 5.316 . 0 0 "[ . 1 . 2]" 1
1206 2 78 GLU HA 2 82 LYS HG2 . . 5.500 3.916 3.207 5.575 0.075 13 0 "[ . 1 . 2]" 1
1207 2 78 GLU HB2 2 79 LEU H . . 4.500 3.809 2.456 4.025 . 0 0 "[ . 1 . 2]" 1
1208 2 78 GLU HB3 2 79 LEU H . . 4.500 2.596 2.362 3.023 . 0 0 "[ . 1 . 2]" 1
1209 2 78 GLU HB3 2 80 GLU H . . 5.500 5.176 4.933 5.514 0.014 16 0 "[ . 1 . 2]" 1
1210 2 79 LEU H 2 79 LEU HB2 . . 3.500 2.218 2.147 2.303 . 0 0 "[ . 1 . 2]" 1
1211 2 79 LEU H 2 79 LEU HB3 . . 3.500 3.502 3.454 3.535 0.035 18 0 "[ . 1 . 2]" 1
1212 2 79 LEU H 2 79 LEU MD1 . . 2.700 2.503 2.253 2.711 0.011 12 0 "[ . 1 . 2]" 1
1213 2 79 LEU H 2 80 GLU H . . 3.500 2.813 2.533 2.957 . 0 0 "[ . 1 . 2]" 1
1214 2 79 LEU H 2 81 GLU H . . 5.500 4.373 4.095 4.746 . 0 0 "[ . 1 . 2]" 1
1215 2 79 LEU HA 2 79 LEU MD2 . . 4.500 3.754 3.583 3.871 . 0 0 "[ . 1 . 2]" 1
1216 2 79 LEU HA 2 79 LEU HG . . 3.500 2.483 2.252 2.817 . 0 0 "[ . 1 . 2]" 1
1217 2 79 LEU HA 2 80 GLU H . . 4.500 3.605 3.576 3.653 . 0 0 "[ . 1 . 2]" 1
1218 2 79 LEU HA 2 82 LYS QB . . 4.500 2.693 2.275 3.516 . 0 0 "[ . 1 . 2]" 1
1219 2 79 LEU QB 2 80 GLU H . . 3.500 2.741 2.337 2.934 . 0 0 "[ . 1 . 2]" 1
1220 2 79 LEU HB3 2 80 GLU H . . 3.500 3.320 2.969 3.578 0.078 18 0 "[ . 1 . 2]" 1
1221 2 79 LEU QD 3 15 VAL MG1 . . 3.500 1.874 1.763 1.912 . 0 0 "[ . 1 . 2]" 1
1222 2 79 LEU QD 3 15 VAL MG2 . . 4.500 3.380 3.244 3.433 . 0 0 "[ . 1 . 2]" 1
1223 2 79 LEU QD 3 19 THR MG . . 5.500 3.189 2.306 5.476 . 0 0 "[ . 1 . 2]" 1
1224 2 79 LEU MD1 2 80 GLU H . . 5.500 4.495 4.390 4.627 . 0 0 "[ . 1 . 2]" 1
1225 2 79 LEU MD1 3 15 VAL MG1 . . 3.500 3.260 2.013 3.568 0.068 15 0 "[ . 1 . 2]" 1
1226 2 79 LEU MD1 3 15 VAL MG2 . . 4.500 4.431 3.718 4.569 0.069 14 0 "[ . 1 . 2]" 1
1227 2 79 LEU MD2 2 80 GLU H . . 5.500 4.736 4.248 5.020 . 0 0 "[ . 1 . 2]" 1
1228 2 79 LEU MD2 2 83 ARG HD2 . . 4.500 4.277 3.318 4.541 0.041 17 0 "[ . 1 . 2]" 1
1229 2 79 LEU MD2 3 15 VAL MG1 . . 3.500 1.904 1.828 2.005 . 0 0 "[ . 1 . 2]" 1
1230 2 79 LEU MD2 3 15 VAL MG2 . . 3.500 3.516 3.361 3.592 0.092 7 0 "[ . 1 . 2]" 1
1231 2 79 LEU HG 2 83 ARG HD2 . . 4.500 3.847 2.682 4.554 0.054 15 0 "[ . 1 . 2]" 1
1232 2 80 GLU H 2 80 GLU HB3 . . 3.500 2.942 2.362 3.579 0.079 12 0 "[ . 1 . 2]" 1
1233 2 80 GLU HA 2 81 GLU H . . 4.500 3.477 3.261 3.641 . 0 0 "[ . 1 . 2]" 1
1234 2 80 GLU HA 2 83 ARG H . . 4.500 4.063 3.316 4.621 0.121 4 0 "[ . 1 . 2]" 1
1235 2 80 GLU HA 2 84 ARG H . . 5.500 4.606 3.575 5.505 0.005 11 0 "[ . 1 . 2]" 1
1236 2 81 GLU H 2 81 GLU HB3 . . 3.500 3.061 2.470 3.652 0.152 19 0 "[ . 1 . 2]" 1
1237 2 81 GLU HA 2 82 LYS H . . 3.500 3.539 3.374 3.592 0.092 6 0 "[ . 1 . 2]" 1
1238 2 81 GLU HA 2 84 ARG H . . 3.500 3.489 3.084 3.619 0.119 9 0 "[ . 1 . 2]" 1
1239 2 81 GLU HA 2 84 ARG QB . . 4.500 3.105 2.257 4.516 0.016 1 0 "[ . 1 . 2]" 1
1240 2 82 LYS H 2 83 ARG H . . 3.500 2.667 2.146 2.904 . 0 0 "[ . 1 . 2]" 1
1241 2 82 LYS H 2 84 ARG H . . 5.500 4.125 3.625 4.359 . 0 0 "[ . 1 . 2]" 1
1242 2 82 LYS HA 2 82 LYS HD2 . . 2.700 2.619 2.192 2.769 0.069 11 0 "[ . 1 . 2]" 1
1243 2 82 LYS HA 2 83 ARG H . . 3.500 3.435 3.347 3.530 0.030 16 0 "[ . 1 . 2]" 1
1244 2 82 LYS HA 2 85 SER H . . 5.500 4.147 3.188 5.337 . 0 0 "[ . 1 . 2]" 1
1245 2 82 LYS QB 2 83 ARG H . . 4.500 3.147 2.875 3.381 . 0 0 "[ . 1 . 2]" 1
1246 2 83 ARG H 2 84 ARG H . . 3.500 2.303 1.917 2.654 . 0 0 "[ . 1 . 2]" 1
1247 2 83 ARG H 2 85 SER H . . 4.500 4.026 3.473 4.548 0.048 3 0 "[ . 1 . 2]" 1
1248 2 83 ARG HA 2 84 ARG H . . 3.500 3.357 3.170 3.550 0.050 8 0 "[ . 1 . 2]" 1
1249 2 83 ARG HB2 2 84 ARG H . . 4.500 3.541 2.702 4.153 . 0 0 "[ . 1 . 2]" 1
1250 2 83 ARG QD 3 16 LEU QD . . 4.500 2.662 2.071 3.342 . 0 0 "[ . 1 . 2]" 1
1251 2 83 ARG QD 3 19 THR HB . . 5.500 4.331 3.590 5.494 . 0 0 "[ . 1 . 2]" 1
1252 2 83 ARG QD 3 19 THR MG . . 5.500 4.404 3.885 5.313 . 0 0 "[ . 1 . 2]" 1
1253 2 83 ARG QD 3 20 PRO QG . . 4.500 3.062 2.170 4.550 0.050 18 0 "[ . 1 . 2]" 1
1254 2 83 ARG HD2 3 16 LEU HA . . 5.500 2.495 2.023 4.273 . 0 0 "[ . 1 . 2]" 1
1255 2 83 ARG HD2 3 16 LEU HB3 . . 4.500 3.647 2.421 4.624 0.124 13 0 "[ . 1 . 2]" 1
1256 2 83 ARG HD2 3 16 LEU MD2 . . 3.500 2.887 2.160 3.528 0.028 13 0 "[ . 1 . 2]" 1
1257 2 83 ARG QG 3 19 THR MG . . 5.500 4.477 3.727 5.537 0.037 4 0 "[ . 1 . 2]" 1
1258 2 84 ARG HA 2 85 SER H . . 3.500 3.320 2.789 3.544 0.044 20 0 "[ . 1 . 2]" 1
1259 2 84 ARG HA 2 86 ARG H . . 5.500 4.145 3.387 5.581 0.081 6 0 "[ . 1 . 2]" 1
1260 2 84 ARG HB2 2 85 SER H . . 4.500 3.945 3.025 4.514 0.014 1 0 "[ . 1 . 2]" 1
1261 2 84 ARG QG 2 85 SER H . . 5.500 4.272 3.747 4.722 . 0 0 "[ . 1 . 2]" 1
1262 2 85 SER H 2 85 SER HB2 . . 3.500 3.042 2.346 3.586 0.086 4 0 "[ . 1 . 2]" 1
1263 2 85 SER HA 2 86 ARG H . . 3.500 3.043 2.120 3.543 0.043 18 0 "[ . 1 . 2]" 1
1264 2 85 SER HB2 2 86 ARG H . . 5.500 4.070 3.236 4.546 . 0 0 "[ . 1 . 2]" 1
1265 2 85 SER HB2 2 87 LEU H . . 5.500 5.150 4.005 5.605 0.105 20 0 "[ . 1 . 2]" 1
1266 2 86 ARG H 2 87 LEU H . . 5.500 2.835 1.911 4.357 . 0 0 "[ . 1 . 2]" 1
1267 2 86 ARG HA 2 87 LEU H . . 3.500 3.203 2.137 3.541 0.041 5 0 "[ . 1 . 2]" 1
1268 2 86 ARG HB2 2 87 LEU H . . 4.500 3.949 2.869 4.556 0.056 15 0 "[ . 1 . 2]" 1
1269 2 86 ARG HB3 2 87 LEU H . . 4.500 3.921 2.288 4.512 0.012 14 0 "[ . 1 . 2]" 1
1270 2 87 LEU HA 2 87 LEU MD2 . . 3.500 2.531 2.148 3.580 0.080 7 0 "[ . 1 . 2]" 1
1271 3 4 GLY HA3 3 5 ASN H . . 3.500 3.041 2.372 3.584 0.084 20 0 "[ . 1 . 2]" 1
1272 3 6 ILE H 3 6 ILE HB . . 3.500 2.503 2.030 3.054 . 0 0 "[ . 1 . 2]" 1
1273 3 6 ILE H 3 6 ILE HG12 . . 4.500 2.941 2.124 3.844 . 0 0 "[ . 1 . 2]" 1
1274 3 6 ILE HA 3 6 ILE MD . . 4.500 2.847 2.081 4.051 . 0 0 "[ . 1 . 2]" 1
1275 3 6 ILE HA 3 6 ILE HG12 . . 4.500 2.813 2.285 3.323 . 0 0 "[ . 1 . 2]" 1
1276 3 6 ILE HA 3 6 ILE HG13 . . 4.500 3.527 2.911 3.781 . 0 0 "[ . 1 . 2]" 1
1277 3 6 ILE HA 3 6 ILE MG . . 3.500 2.519 2.195 2.938 . 0 0 "[ . 1 . 2]" 1
1278 3 6 ILE HB 3 6 ILE MD . . 3.500 2.967 2.419 3.305 . 0 0 "[ . 1 . 2]" 1
1279 3 7 LEU H 3 7 LEU HB2 . . 3.500 3.168 2.574 3.515 0.015 6 0 "[ . 1 . 2]" 1
1280 3 7 LEU H 3 7 LEU HB3 . . 3.500 2.639 2.269 3.034 . 0 0 "[ . 1 . 2]" 1
1281 3 7 LEU HA 3 7 LEU MD1 . . 3.500 2.302 2.157 2.452 . 0 0 "[ . 1 . 2]" 1
1282 3 7 LEU HA 3 8 PRO HD2 . . 3.500 2.424 2.267 2.575 . 0 0 "[ . 1 . 2]" 1
1283 3 7 LEU HA 3 8 PRO QD . . 2.700 2.148 2.034 2.214 . 0 0 "[ . 1 . 2]" 1
1284 3 7 LEU HA 3 8 PRO HD3 . . 3.500 2.412 2.156 2.606 . 0 0 "[ . 1 . 2]" 1
1285 3 7 LEU HA 3 11 ILE MG . . 4.500 4.240 3.608 4.620 0.120 8 0 "[ . 1 . 2]" 1
1286 3 7 LEU HB2 3 7 LEU MD1 . . 2.700 2.486 2.342 2.579 . 0 0 "[ . 1 . 2]" 1
1287 3 7 LEU MD1 3 8 PRO HD2 . . 3.500 3.119 2.228 3.482 . 0 0 "[ . 1 . 2]" 1
1288 3 7 LEU MD1 3 12 MET HB2 . . 4.500 3.129 2.503 3.633 . 0 0 "[ . 1 . 2]" 1
1289 3 7 LEU MD1 3 12 MET HG3 . . 4.500 3.395 2.493 4.278 . 0 0 "[ . 1 . 2]" 1
1290 3 7 LEU MD1 3 15 VAL HB . . 3.500 3.588 3.524 3.645 0.145 12 0 "[ . 1 . 2]" 1
1291 3 8 PRO HA 3 8 PRO HB3 . . 2.700 2.400 2.381 2.424 . 0 0 "[ . 1 . 2]" 1
1292 3 8 PRO HG3 3 11 ILE MD . . 5.500 4.991 3.838 5.579 0.079 6 0 "[ . 1 . 2]" 1
1293 3 9 SER HA 3 12 MET HB2 . . 3.500 2.958 2.758 3.189 . 0 0 "[ . 1 . 2]" 1
1294 3 9 SER HA 3 12 MET HB3 . . 5.500 2.334 2.191 2.638 . 0 0 "[ . 1 . 2]" 1
1295 3 10 ASP H 3 11 ILE H . . 3.500 2.725 2.625 2.837 . 0 0 "[ . 1 . 2]" 1
1296 3 10 ASP HA 3 10 ASP HB2 . . 2.700 2.474 2.329 2.518 . 0 0 "[ . 1 . 2]" 1
1297 3 10 ASP HA 3 13 ASP HB3 . . 3.500 3.319 2.954 3.534 0.034 19 0 "[ . 1 . 2]" 1
1298 3 11 ILE H 3 11 ILE HB . . 2.700 2.361 2.176 2.554 . 0 0 "[ . 1 . 2]" 1
1299 3 11 ILE H 3 11 ILE HG12 . . 5.500 3.915 2.210 4.261 . 0 0 "[ . 1 . 2]" 1
1300 3 11 ILE H 3 12 MET H . . 3.500 2.480 2.324 2.619 . 0 0 "[ . 1 . 2]" 1
1301 3 11 ILE HA 3 11 ILE HG12 . . 4.500 3.470 2.422 3.728 . 0 0 "[ . 1 . 2]" 1
1302 3 11 ILE HA 3 11 ILE MG . . 3.500 2.557 2.322 2.758 . 0 0 "[ . 1 . 2]" 1
1303 3 11 ILE HA 3 14 PHE QB . . 3.500 2.870 2.438 3.380 . 0 0 "[ . 1 . 2]" 1
1304 3 11 ILE HB 3 11 ILE MD . . 3.500 2.552 2.315 3.298 . 0 0 "[ . 1 . 2]" 1
1305 3 11 ILE MG 3 15 VAL HB . . 4.500 4.167 3.600 4.536 0.036 9 0 "[ . 1 . 2]" 1
1306 3 12 MET H 3 12 MET HB3 . . 3.500 2.676 2.587 2.745 . 0 0 "[ . 1 . 2]" 1
1307 3 12 MET H 3 13 ASP H . . 3.500 2.996 2.929 3.080 . 0 0 "[ . 1 . 2]" 1
1308 3 12 MET HA 3 12 MET HG3 . . 4.500 2.437 2.329 2.572 . 0 0 "[ . 1 . 2]" 1
1309 3 12 MET HA 3 15 VAL HB . . 3.500 2.888 2.421 3.363 . 0 0 "[ . 1 . 2]" 1
1310 3 12 MET HA 3 15 VAL MG2 . . 4.500 3.315 2.826 3.857 . 0 0 "[ . 1 . 2]" 1
1311 3 12 MET HB2 3 13 ASP H . . 4.500 3.766 3.662 3.845 . 0 0 "[ . 1 . 2]" 1
1312 3 12 MET HB3 3 12 MET HG2 . . 2.700 2.442 2.339 2.511 . 0 0 "[ . 1 . 2]" 1
1313 3 12 MET HB3 3 13 ASP H . . 5.500 2.413 2.326 2.546 . 0 0 "[ . 1 . 2]" 1
1314 3 12 MET HG2 3 16 LEU MD2 . . 2.700 2.705 2.537 2.731 0.031 11 0 "[ . 1 . 2]" 1
1315 3 12 MET HG3 3 16 LEU MD2 . . 2.700 2.728 2.711 2.750 0.050 9 0 "[ . 1 . 2]" 1
1316 3 13 ASP H 3 13 ASP HB2 . . 2.700 2.430 2.385 2.506 . 0 0 "[ . 1 . 2]" 1
1317 3 13 ASP H 3 14 PHE H . . 3.500 2.938 2.841 3.007 . 0 0 "[ . 1 . 2]" 1
1318 3 13 ASP HA 3 13 ASP HB2 . . 2.700 2.455 2.416 2.488 . 0 0 "[ . 1 . 2]" 1
1319 3 13 ASP HA 3 16 LEU HB2 . . 3.500 2.838 2.519 3.492 . 0 0 "[ . 1 . 2]" 1
1320 3 13 ASP HA 3 16 LEU MD2 . . 4.500 4.495 4.340 4.555 0.055 15 0 "[ . 1 . 2]" 1
1321 3 14 PHE H 3 14 PHE QB . . 2.700 2.197 2.078 2.254 . 0 0 "[ . 1 . 2]" 1
1322 3 14 PHE H 3 15 VAL H . . 3.500 2.755 2.598 2.862 . 0 0 "[ . 1 . 2]" 1
1323 3 14 PHE HA 3 17 LYS HB2 . . 4.500 3.379 2.837 4.503 0.003 4 0 "[ . 1 . 2]" 1
1324 3 14 PHE HA 3 17 LYS HB3 . . 4.500 3.797 2.615 4.539 0.039 3 0 "[ . 1 . 2]" 1
1325 3 14 PHE QB 3 15 VAL H . . 3.500 2.597 2.368 2.827 . 0 0 "[ . 1 . 2]" 1
1326 3 15 VAL H 3 15 VAL HB . . 3.500 2.619 2.408 2.789 . 0 0 "[ . 1 . 2]" 1
1327 3 15 VAL H 3 15 VAL MG2 . . 3.500 2.221 2.083 2.465 . 0 0 "[ . 1 . 2]" 1
1328 3 15 VAL H 3 16 LEU H . . 3.500 2.780 2.635 2.915 . 0 0 "[ . 1 . 2]" 1
1329 3 15 VAL HA 3 15 VAL MG1 . . 3.500 2.383 2.269 2.553 . 0 0 "[ . 1 . 2]" 1
1330 3 15 VAL HA 3 15 VAL MG2 . . 3.500 2.425 2.268 2.562 . 0 0 "[ . 1 . 2]" 1
1331 3 15 VAL HA 3 18 ASN HB2 . . 4.500 3.019 2.795 4.168 . 0 0 "[ . 1 . 2]" 1
1332 3 15 VAL HA 3 18 ASN HB3 . . 4.500 4.520 4.292 4.597 0.097 13 0 "[ . 1 . 2]" 1
1333 3 15 VAL QG 3 19 THR MG . . 5.500 2.550 2.059 4.663 . 0 0 "[ . 1 . 2]" 1
1334 3 16 LEU H 3 16 LEU HB2 . . 3.500 2.699 2.625 2.900 . 0 0 "[ . 1 . 2]" 1
1335 3 16 LEU H 3 17 LYS H . . 3.500 2.794 2.695 2.891 . 0 0 "[ . 1 . 2]" 1
1336 3 16 LEU HA 3 16 LEU MD1 . . 4.500 3.732 3.636 3.873 . 0 0 "[ . 1 . 2]" 1
1337 3 16 LEU HA 3 16 LEU MD2 . . 4.500 2.282 2.187 2.397 . 0 0 "[ . 1 . 2]" 1
1338 3 16 LEU HA 3 16 LEU HG . . 4.500 3.563 3.373 3.684 . 0 0 "[ . 1 . 2]" 1
1339 3 16 LEU HB3 3 16 LEU MD1 . . 2.700 2.230 2.188 2.300 . 0 0 "[ . 1 . 2]" 1
1340 3 16 LEU HB3 3 16 LEU MD2 . . 2.700 2.686 2.562 2.740 0.040 20 0 "[ . 1 . 2]" 1
1341 3 17 LYS H 3 17 LYS HG2 . . 4.500 4.207 3.750 4.520 0.020 9 0 "[ . 1 . 2]" 1
1342 3 17 LYS H 3 18 ASN H . . 3.500 2.670 2.563 2.811 . 0 0 "[ . 1 . 2]" 1
1343 3 17 LYS HA 3 17 LYS HD2 . . 4.500 4.210 2.231 4.611 0.111 13 0 "[ . 1 . 2]" 1
1344 3 17 LYS HA 3 17 LYS HG2 . . 3.500 2.805 2.333 3.669 0.169 9 0 "[ . 1 . 2]" 1
1345 3 17 LYS HE2 3 17 LYS HG2 . . 3.500 3.064 2.463 3.700 0.200 11 0 "[ . 1 . 2]" 1
1346 3 18 ASN H 3 18 ASN HB2 . . 3.500 2.285 2.131 2.509 . 0 0 "[ . 1 . 2]" 1
1347 3 18 ASN H 3 19 THR H . . 3.500 2.765 2.634 3.052 . 0 0 "[ . 1 . 2]" 1
1348 3 18 ASN HA 3 18 ASN HB3 . . 2.700 2.579 2.450 2.888 0.188 17 0 "[ . 1 . 2]" 1
1349 3 19 THR MG 3 20 PRO HD2 . . 5.500 4.603 4.268 4.913 . 0 0 "[ . 1 . 2]" 1
1350 3 22 MET HA 3 22 MET HG3 . . 4.500 3.213 2.408 4.260 . 0 0 "[ . 1 . 2]" 1
1351 3 23 GLN HA 3 23 GLN HG2 . . 2.700 2.610 2.432 2.776 0.076 12 0 "[ . 1 . 2]" 1
1352 3 24 ALA H 3 24 ALA MB . . 3.500 2.414 2.164 2.757 . 0 0 "[ . 1 . 2]" 1
1353 3 26 GLY H 3 26 GLY HA3 . . 2.700 2.790 2.268 2.976 0.276 2 0 "[ . 1 . 2]" 1
1354 3 26 GLY HA3 3 27 GLU H . . 3.500 3.048 2.343 3.604 0.104 3 0 "[ . 1 . 2]" 1
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