NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394269 |
1r4t   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r4t
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 1025
_Distance_constraint_stats_list.Viol_count 1868
_Distance_constraint_stats_list.Viol_total 4790.769
_Distance_constraint_stats_list.Viol_max 2.209
_Distance_constraint_stats_list.Viol_rms 0.0656
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.1115
_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 19 PRO 1.039 0.102 8 0 "[ . 1 . 2 ]"
1 20 MET 2.246 0.227 12 0 "[ . 1 . 2 ]"
1 21 THR 1.261 0.227 12 0 "[ . 1 . 2 ]"
1 22 LEU 1.591 0.175 21 0 "[ . 1 . 2 ]"
1 23 LYS 0.007 0.007 9 0 "[ . 1 . 2 ]"
1 24 GLY 1.419 0.173 17 0 "[ . 1 . 2 ]"
1 25 LEU 1.543 0.175 21 0 "[ . 1 . 2 ]"
1 26 ASP 0.028 0.028 3 0 "[ . 1 . 2 ]"
1 27 LYS 0.419 0.173 17 0 "[ . 1 . 2 ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 GLU 3.802 0.183 17 0 "[ . 1 . 2 ]"
1 31 LEU 3.548 0.211 15 0 "[ . 1 . 2 ]"
1 32 ALA 0.720 0.172 14 0 "[ . 1 . 2 ]"
1 33 THR 4.395 0.183 17 0 "[ . 1 . 2 ]"
1 34 LEU 6.685 0.211 15 0 "[ . 1 . 2 ]"
1 35 THR 3.364 0.194 19 0 "[ . 1 . 2 ]"
1 36 PRO 1.077 0.173 13 0 "[ . 1 . 2 ]"
1 37 GLU 0.966 0.231 3 0 "[ . 1 . 2 ]"
1 38 GLY 0.234 0.109 6 0 "[ . 1 . 2 ]"
1 39 LEU 1.781 0.269 12 0 "[ . 1 . 2 ]"
1 40 ALA 1.390 0.173 13 0 "[ . 1 . 2 ]"
1 41 ARG 5.723 0.373 17 0 "[ . 1 . 2 ]"
1 42 GLU 2.112 0.269 12 0 "[ . 1 . 2 ]"
1 43 HIS 13.167 1.168 11 12 "[*** . *-**+ ** * *]"
1 44 SER 2.454 0.342 10 0 "[ . 1 . 2 ]"
1 45 ARG 2.453 0.373 17 0 "[ . 1 . 2 ]"
1 46 LEU 6.924 0.321 21 0 "[ . 1 . 2 ]"
1 47 ALA 2.545 0.174 1 0 "[ . 1 . 2 ]"
1 48 SER 0.911 0.067 10 0 "[ . 1 . 2 ]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 ASP 1.376 0.118 1 0 "[ . 1 . 2 ]"
1 51 GLY 4.605 0.166 9 0 "[ . 1 . 2 ]"
1 52 ALA 2.143 0.127 3 0 "[ . 1 . 2 ]"
1 53 LEU 7.674 0.374 8 0 "[ . 1 . 2 ]"
1 54 ARG 45.731 2.209 3 23 [**+****************-***]
1 55 SER 1.651 0.118 1 0 "[ . 1 . 2 ]"
1 56 LEU 1.839 0.098 20 0 "[ . 1 . 2 ]"
1 57 SER 7.545 0.250 8 0 "[ . 1 . 2 ]"
1 58 THR 1.355 0.096 18 0 "[ . 1 . 2 ]"
1 59 ALA 0.354 0.109 9 0 "[ . 1 . 2 ]"
1 60 LEU 4.519 0.233 21 0 "[ . 1 . 2 ]"
1 61 ALA 2.440 0.109 1 0 "[ . 1 . 2 ]"
1 62 GLY 1.299 0.177 19 0 "[ . 1 . 2 ]"
1 63 ILE 3.677 0.233 21 0 "[ . 1 . 2 ]"
1 64 ARG 5.016 0.267 12 0 "[ . 1 . 2 ]"
1 65 ALA 1.719 0.148 6 0 "[ . 1 . 2 ]"
1 66 GLY 0.809 0.177 19 0 "[ . 1 . 2 ]"
1 67 SER 1.119 0.113 7 0 "[ . 1 . 2 ]"
1 68 GLN 0.158 0.040 8 0 "[ . 1 . 2 ]"
1 69 VAL 1.622 0.174 20 0 "[ . 1 . 2 ]"
1 70 GLU 1.583 0.182 22 0 "[ . 1 . 2 ]"
1 71 GLU 0.714 0.061 6 0 "[ . 1 . 2 ]"
1 72 SER 2.203 0.174 20 0 "[ . 1 . 2 ]"
1 73 ARG 6.300 0.270 22 0 "[ . 1 . 2 ]"
1 74 ILE 0.327 0.106 13 0 "[ . 1 . 2 ]"
1 75 GLN 1.071 0.120 23 0 "[ . 1 . 2 ]"
1 76 ALA 1.556 0.173 17 0 "[ . 1 . 2 ]"
1 77 GLY 5.920 0.270 22 0 "[ . 1 . 2 ]"
1 78 ARG 0.829 0.189 13 0 "[ . 1 . 2 ]"
1 79 LEU 2.365 0.194 18 0 "[ . 1 . 2 ]"
1 80 LEU 7.426 0.245 19 0 "[ . 1 . 2 ]"
1 81 GLU 4.333 0.217 12 0 "[ . 1 . 2 ]"
1 82 ARG 6.100 0.152 9 0 "[ . 1 . 2 ]"
1 83 SER 7.446 0.211 9 0 "[ . 1 . 2 ]"
1 84 ILE 3.400 0.212 13 0 "[ . 1 . 2 ]"
1 85 GLY 2.849 0.216 12 0 "[ . 1 . 2 ]"
1 86 GLY 3.476 0.211 9 0 "[ . 1 . 2 ]"
1 87 ILE 2.332 0.212 13 0 "[ . 1 . 2 ]"
1 88 ALA 4.310 0.281 7 0 "[ . 1 . 2 ]"
1 89 LEU 4.020 0.245 19 0 "[ . 1 . 2 ]"
1 90 GLN 4.454 0.245 19 0 "[ . 1 . 2 ]"
1 91 GLN 13.285 0.528 14 1 "[ . 1 +. 2 ]"
1 92 TRP 18.979 0.528 14 1 "[ . 1 +. 2 ]"
1 93 GLY 8.041 0.374 8 0 "[ . 1 . 2 ]"
1 94 THR 45.840 2.209 3 23 [**+****************-***]
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 GLY 0.841 0.132 2 0 "[ . 1 . 2 ]"
1 98 ALA 0.075 0.075 1 0 "[ . 1 . 2 ]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 100 SER 1.379 0.213 7 0 "[ . 1 . 2 ]"
1 101 GLN 1.895 0.243 18 0 "[ . 1 . 2 ]"
1 102 LEU 0.249 0.097 1 0 "[ . 1 . 2 ]"
1 103 VAL 15.957 1.168 11 12 "[*** . *-**+ ** * *]"
1 104 LEU 1.047 0.125 10 0 "[ . 1 . 2 ]"
1 105 ASP 2.773 0.243 18 0 "[ . 1 . 2 ]"
1 106 ALA 5.673 0.207 6 0 "[ . 1 . 2 ]"
1 107 SER 1.089 0.255 14 0 "[ . 1 . 2 ]"
1 108 PRO 2.255 0.125 11 0 "[ . 1 . 2 ]"
1 109 GLU 7.023 0.233 22 0 "[ . 1 . 2 ]"
1 110 LEU 3.279 0.255 14 0 "[ . 1 . 2 ]"
1 111 ARG 0.965 0.244 18 0 "[ . 1 . 2 ]"
1 112 ARG 1.644 0.233 22 0 "[ . 1 . 2 ]"
1 113 GLU 2.117 0.162 10 0 "[ . 1 . 2 ]"
1 114 ILE 3.058 0.245 10 0 "[ . 1 . 2 ]"
1 115 THR 1.349 0.194 19 0 "[ . 1 . 2 ]"
1 116 ASP 0.639 0.112 14 0 "[ . 1 . 2 ]"
1 117 GLN 4.710 0.163 1 0 "[ . 1 . 2 ]"
1 118 LEU 3.167 0.158 23 0 "[ . 1 . 2 ]"
1 119 HIS 0.433 0.084 10 0 "[ . 1 . 2 ]"
1 120 GLN 0.771 0.102 8 0 "[ . 1 . 2 ]"
1 121 VAL 0.232 0.209 7 0 "[ . 1 . 2 ]"
1 122 MET 4.813 0.228 7 0 "[ . 1 . 2 ]"
1 123 SER 0.405 0.084 10 0 "[ . 1 . 2 ]"
1 124 GLU 1.133 0.209 7 0 "[ . 1 . 2 ]"
1 125 VAL 4.977 0.228 7 0 "[ . 1 . 2 ]"
1 126 ALA 0.081 0.062 14 0 "[ . 1 . 2 ]"
1 127 LEU 0.016 0.016 19 0 "[ . 1 . 2 ]"
1 128 LEU 3.684 0.465 21 0 "[ . 1 . 2 ]"
1 129 ARG 2.141 0.465 21 0 "[ . 1 . 2 ]"
1 130 GLN 0.052 0.036 10 0 "[ . 1 . 2 ]"
1 131 ALA 1.436 0.160 14 0 "[ . 1 . 2 ]"
1 132 VAL 0.029 0.029 17 0 "[ . 1 . 2 ]"
1 133 GLU 0.116 0.073 7 0 "[ . 1 . 2 ]"
1 134 SER 0.116 0.073 7 0 "[ . 1 . 2 ]"
1 135 GLU 3.083 0.160 14 0 "[ . 1 . 2 ]"
1 136 VAL 1.835 0.229 20 0 "[ . 1 . 2 ]"
1 138 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 139 VAL 0.391 0.229 20 0 "[ . 1 . 2 ]"
1 140 SER 0.045 0.034 20 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 19 PRO HA 1 20 MET H . . 4.000 3.535 3.520 3.539 . 0 0 "[ . 1 . 2 ]" 1
2 1 19 PRO HA 1 22 LEU H . . 4.000 3.475 3.261 3.652 . 0 0 "[ . 1 . 2 ]" 1
3 1 19 PRO HA 1 22 LEU HB2 . . 4.500 2.800 2.504 3.137 . 0 0 "[ . 1 . 2 ]" 1
4 1 19 PRO HA 1 22 LEU HB3 . . 4.500 4.317 3.948 4.602 0.102 8 0 "[ . 1 . 2 ]" 1
5 1 19 PRO HB2 1 20 MET H . . 4.000 3.042 3.001 3.158 . 0 0 "[ . 1 . 2 ]" 1
6 1 19 PRO HB3 1 20 MET H . . 4.000 4.027 4.003 4.092 0.092 3 0 "[ . 1 . 2 ]" 1
7 1 20 MET H 1 21 THR H . . 3.000 2.632 2.532 2.733 . 0 0 "[ . 1 . 2 ]" 1
8 1 20 MET HA 1 21 THR H . . 4.000 3.510 3.495 3.537 . 0 0 "[ . 1 . 2 ]" 1
9 1 20 MET HA 1 23 LYS H . . 4.000 3.404 3.201 3.570 . 0 0 "[ . 1 . 2 ]" 1
10 1 20 MET HA 1 23 LYS HB2 . . 4.500 3.261 2.768 3.945 . 0 0 "[ . 1 . 2 ]" 1
11 1 20 MET HA 1 23 LYS HB3 . . 4.500 3.435 3.056 4.137 . 0 0 "[ . 1 . 2 ]" 1
12 1 20 MET HA 1 24 GLY H . . 4.500 4.522 4.386 4.641 0.141 13 0 "[ . 1 . 2 ]" 1
13 1 20 MET HB3 1 21 THR H . . 4.000 3.076 2.432 3.839 . 0 0 "[ . 1 . 2 ]" 1
14 1 20 MET HG3 1 21 THR H . . 4.000 4.008 3.664 4.227 0.227 12 0 "[ . 1 . 2 ]" 1
15 1 21 THR H 1 22 LEU H . . 3.000 2.619 2.504 2.713 . 0 0 "[ . 1 . 2 ]" 1
16 1 21 THR HA 1 22 LEU H . . 4.000 3.507 3.475 3.531 . 0 0 "[ . 1 . 2 ]" 1
17 1 21 THR HA 1 24 GLY H . . 4.000 3.166 3.004 3.371 . 0 0 "[ . 1 . 2 ]" 1
18 1 21 THR HA 1 25 LEU H . . 4.500 4.379 3.958 4.642 0.142 1 0 "[ . 1 . 2 ]" 1
19 1 21 THR HB 1 22 LEU H . . 4.000 2.951 2.687 3.628 . 0 0 "[ . 1 . 2 ]" 1
20 1 21 THR MG 1 62 GLY H . . 4.500 3.421 2.840 3.660 . 0 0 "[ . 1 . 2 ]" 1
21 1 21 THR MG 1 62 GLY HA2 . . 5.500 3.852 3.013 4.364 . 0 0 "[ . 1 . 2 ]" 1
22 1 21 THR MG 1 63 ILE H . . 5.000 2.788 2.563 3.446 . 0 0 "[ . 1 . 2 ]" 1
23 1 21 THR MG 1 63 ILE MD . . 5.500 2.463 1.686 3.599 . 0 0 "[ . 1 . 2 ]" 1
24 1 21 THR MG 1 63 ILE QG . . 5.500 2.208 1.621 3.604 . 0 0 "[ . 1 . 2 ]" 1
25 1 22 LEU H 1 23 LYS H . . 3.000 2.649 2.507 2.761 . 0 0 "[ . 1 . 2 ]" 1
26 1 22 LEU HA 1 23 LYS H . . 4.000 3.503 3.489 3.536 . 0 0 "[ . 1 . 2 ]" 1
27 1 22 LEU HA 1 25 LEU H . . 4.000 3.366 3.209 3.617 . 0 0 "[ . 1 . 2 ]" 1
28 1 22 LEU HA 1 25 LEU HB2 . . 4.500 3.008 2.715 3.617 . 0 0 "[ . 1 . 2 ]" 1
29 1 22 LEU HA 1 25 LEU HB3 . . 4.500 4.229 3.396 4.675 0.175 21 0 "[ . 1 . 2 ]" 1
30 1 22 LEU HA 1 26 ASP H . . 4.500 4.204 3.815 4.528 0.028 3 0 "[ . 1 . 2 ]" 1
31 1 22 LEU HB2 1 23 LYS H . . 4.000 2.994 2.807 3.112 . 0 0 "[ . 1 . 2 ]" 1
32 1 22 LEU HB3 1 23 LYS H . . 4.000 3.251 2.979 3.643 . 0 0 "[ . 1 . 2 ]" 1
33 1 22 LEU MD1 1 132 VAL MG1 . . 5.200 3.187 2.481 3.457 . 0 0 "[ . 1 . 2 ]" 1
34 1 22 LEU MD1 1 133 GLU H . . 5.000 3.370 2.776 3.929 . 0 0 "[ . 1 . 2 ]" 1
35 1 22 LEU MD1 1 136 VAL MG1 . . 5.200 3.234 1.981 3.519 . 0 0 "[ . 1 . 2 ]" 1
36 1 22 LEU MD2 1 133 GLU H . . 5.000 3.509 2.166 3.920 . 0 0 "[ . 1 . 2 ]" 1
37 1 23 LYS H 1 24 GLY H . . 3.000 2.549 2.434 2.673 . 0 0 "[ . 1 . 2 ]" 1
38 1 23 LYS HA 1 24 GLY H . . 4.000 3.491 3.469 3.521 . 0 0 "[ . 1 . 2 ]" 1
39 1 23 LYS HA 1 26 ASP H . . 4.000 3.122 3.061 3.320 . 0 0 "[ . 1 . 2 ]" 1
40 1 23 LYS HA 1 26 ASP HB2 . . 4.500 2.218 1.924 3.080 . 0 0 "[ . 1 . 2 ]" 1
41 1 23 LYS HA 1 26 ASP HB3 . . 4.500 2.899 2.006 3.450 . 0 0 "[ . 1 . 2 ]" 1
42 1 23 LYS HA 1 27 LYS H . . 4.500 4.371 4.186 4.507 0.007 9 0 "[ . 1 . 2 ]" 1
43 1 23 LYS HB2 1 24 GLY H . . 4.000 3.724 3.256 3.968 . 0 0 "[ . 1 . 2 ]" 1
44 1 23 LYS HB3 1 24 GLY H . . 4.000 2.844 2.616 3.199 . 0 0 "[ . 1 . 2 ]" 1
45 1 24 GLY H 1 25 LEU H . . 3.000 2.655 2.610 2.774 . 0 0 "[ . 1 . 2 ]" 1
46 1 24 GLY H 1 59 ALA MB . . 5.200 3.289 3.036 3.444 . 0 0 "[ . 1 . 2 ]" 1
47 1 24 GLY HA2 1 25 LEU H . . 4.000 3.520 3.502 3.555 . 0 0 "[ . 1 . 2 ]" 1
48 1 24 GLY HA2 1 27 LYS H . . 4.000 3.804 3.653 3.994 . 0 0 "[ . 1 . 2 ]" 1
49 1 24 GLY HA2 1 27 LYS HB2 . . 4.500 3.818 3.051 4.485 . 0 0 "[ . 1 . 2 ]" 1
50 1 24 GLY HA2 1 27 LYS HB3 . . 4.500 4.384 3.590 4.673 0.173 17 0 "[ . 1 . 2 ]" 1
51 1 24 GLY HA2 1 59 ALA H . . 5.300 5.269 5.181 5.381 0.081 21 0 "[ . 1 . 2 ]" 1
52 1 24 GLY HA3 1 25 LEU H . . 4.000 2.810 2.640 2.876 . 0 0 "[ . 1 . 2 ]" 1
53 1 25 LEU H 1 26 ASP H . . 3.000 2.315 2.295 2.371 . 0 0 "[ . 1 . 2 ]" 1
54 1 25 LEU H 1 59 ALA MB . . 5.500 2.384 2.040 2.793 . 0 0 "[ . 1 . 2 ]" 1
55 1 25 LEU HA 1 26 ASP H . . 4.000 3.430 3.399 3.480 . 0 0 "[ . 1 . 2 ]" 1
56 1 25 LEU HB2 1 26 ASP H . . 4.000 3.288 3.025 3.537 . 0 0 "[ . 1 . 2 ]" 1
57 1 25 LEU HB3 1 26 ASP H . . 4.000 3.536 3.038 3.823 . 0 0 "[ . 1 . 2 ]" 1
58 1 25 LEU MD1 1 59 ALA H . . 5.000 4.109 3.935 4.299 . 0 0 "[ . 1 . 2 ]" 1
59 1 25 LEU MD1 1 59 ALA MB . . 5.500 2.128 2.008 2.272 . 0 0 "[ . 1 . 2 ]" 1
60 1 25 LEU MD1 1 60 LEU H . . 5.000 3.213 2.733 3.610 . 0 0 "[ . 1 . 2 ]" 1
61 1 25 LEU MD2 1 59 ALA H . . 5.000 4.012 3.504 4.448 . 0 0 "[ . 1 . 2 ]" 1
62 1 25 LEU MD2 1 59 ALA MB . . 5.500 1.829 1.238 3.033 . 0 0 "[ . 1 . 2 ]" 1
63 1 25 LEU MD2 1 60 LEU H . . 5.000 3.063 2.505 3.678 . 0 0 "[ . 1 . 2 ]" 1
64 1 26 ASP H 1 27 LYS H . . 3.000 2.682 2.588 2.732 . 0 0 "[ . 1 . 2 ]" 1
65 1 26 ASP HA 1 27 LYS H . . 4.000 3.527 3.460 3.544 . 0 0 "[ . 1 . 2 ]" 1
66 1 26 ASP HA 1 29 SER H . . 5.000 3.587 3.389 3.871 . 0 0 "[ . 1 . 2 ]" 1
67 1 26 ASP HB2 1 27 LYS H . . 4.000 3.490 2.675 3.897 . 0 0 "[ . 1 . 2 ]" 1
68 1 26 ASP HB3 1 27 LYS H . . 4.000 2.564 2.330 3.223 . 0 0 "[ . 1 . 2 ]" 1
69 1 27 LYS HA 1 28 ALA H . . 4.000 3.451 3.371 3.490 . 0 0 "[ . 1 . 2 ]" 1
70 1 28 ALA H 1 29 SER H . . 3.500 2.589 2.432 2.651 . 0 0 "[ . 1 . 2 ]" 1
71 1 28 ALA H 1 52 ALA HA . . 5.000 4.411 3.885 4.892 . 0 0 "[ . 1 . 2 ]" 1
72 1 28 ALA H 1 52 ALA MB . . 5.000 3.900 3.464 4.000 . 0 0 "[ . 1 . 2 ]" 1
73 1 29 SER H 1 30 GLU H . . 4.000 2.663 2.599 2.697 . 0 0 "[ . 1 . 2 ]" 1
74 1 29 SER H 1 122 MET ME . . 5.000 3.604 2.740 4.079 . 0 0 "[ . 1 . 2 ]" 1
75 1 29 SER HA 1 32 ALA H . . 5.000 3.467 3.280 3.642 . 0 0 "[ . 1 . 2 ]" 1
76 1 30 GLU H 1 31 LEU H . . 3.000 2.533 2.417 2.651 . 0 0 "[ . 1 . 2 ]" 1
77 1 30 GLU HA 1 31 LEU H . . 4.000 3.486 3.449 3.542 . 0 0 "[ . 1 . 2 ]" 1
78 1 30 GLU HA 1 33 THR H . . 3.500 3.358 2.958 3.523 0.023 2 0 "[ . 1 . 2 ]" 1
79 1 30 GLU HA 1 33 THR HB . . 4.500 4.419 3.646 4.626 0.126 1 0 "[ . 1 . 2 ]" 1
80 1 30 GLU HB2 1 31 LEU H . . 5.000 3.003 2.404 4.177 . 0 0 "[ . 1 . 2 ]" 1
81 1 30 GLU HB2 1 33 THR H . . 5.000 5.100 5.034 5.183 0.183 17 0 "[ . 1 . 2 ]" 1
82 1 30 GLU HB3 1 31 LEU H . . 5.000 3.786 2.929 4.115 . 0 0 "[ . 1 . 2 ]" 1
83 1 30 GLU HB3 1 33 THR H . . 5.000 4.881 4.684 5.164 0.164 15 0 "[ . 1 . 2 ]" 1
84 1 30 GLU HG2 1 31 LEU H . . 5.000 4.164 3.784 4.566 . 0 0 "[ . 1 . 2 ]" 1
85 1 30 GLU HG3 1 31 LEU H . . 5.000 4.245 3.833 4.917 . 0 0 "[ . 1 . 2 ]" 1
86 1 30 GLU O 1 33 THR H . . 2.000 1.804 1.708 1.944 . 0 0 "[ . 1 . 2 ]" 1
87 1 30 GLU O 1 33 THR N . . 3.000 2.692 2.590 2.795 . 0 0 "[ . 1 . 2 ]" 1
88 1 31 LEU H 1 32 ALA H . . 3.000 2.594 2.536 2.661 . 0 0 "[ . 1 . 2 ]" 1
89 1 31 LEU H 1 34 LEU HB2 . . 5.000 5.129 5.015 5.211 0.211 15 0 "[ . 1 . 2 ]" 1
90 1 31 LEU H 1 52 ALA MB . . 5.000 3.594 2.489 4.048 . 0 0 "[ . 1 . 2 ]" 1
91 1 31 LEU HA 1 32 ALA H . . 4.000 3.449 3.410 3.515 . 0 0 "[ . 1 . 2 ]" 1
92 1 31 LEU HA 1 34 LEU H . . 3.500 3.347 3.098 3.566 0.066 17 0 "[ . 1 . 2 ]" 1
93 1 31 LEU HB2 1 32 ALA H . . 4.000 3.126 2.629 4.172 0.172 14 0 "[ . 1 . 2 ]" 1
94 1 31 LEU HB3 1 32 ALA H . . 4.000 3.779 3.230 4.100 0.100 15 0 "[ . 1 . 2 ]" 1
95 1 31 LEU MD2 1 53 LEU H . . 5.000 3.009 2.355 4.097 . 0 0 "[ . 1 . 2 ]" 1
96 1 32 ALA H 1 33 THR H . . 3.000 2.495 2.286 2.579 . 0 0 "[ . 1 . 2 ]" 1
97 1 32 ALA H 1 33 THR MG . . 5.000 3.802 3.220 3.920 . 0 0 "[ . 1 . 2 ]" 1
98 1 32 ALA H 1 122 MET HB3 . . 5.200 4.836 4.051 5.290 0.090 14 0 "[ . 1 . 2 ]" 1
99 1 32 ALA HA 1 33 THR H . . 3.500 3.394 3.381 3.410 . 0 0 "[ . 1 . 2 ]" 1
100 1 32 ALA HA 1 122 MET H . . 5.200 4.895 4.452 5.301 0.101 19 0 "[ . 1 . 2 ]" 1
101 1 32 ALA MB 1 33 THR H . . 4.000 2.993 2.952 3.023 . 0 0 "[ . 1 . 2 ]" 1
102 1 33 THR H 1 34 LEU H . . 3.000 2.461 2.243 2.659 . 0 0 "[ . 1 . 2 ]" 1
103 1 33 THR H 1 34 LEU HB2 . . 5.000 4.199 4.013 4.529 . 0 0 "[ . 1 . 2 ]" 1
104 1 33 THR H 1 34 LEU HB3 . . 5.000 4.916 4.466 5.180 0.180 6 0 "[ . 1 . 2 ]" 1
105 1 33 THR MG 1 34 LEU H . . 5.000 3.739 3.476 4.247 . 0 0 "[ . 1 . 2 ]" 1
106 1 34 LEU H 1 35 THR H . . 4.500 4.619 4.367 4.660 0.160 9 0 "[ . 1 . 2 ]" 1
107 1 34 LEU H 1 115 THR MG . . 5.000 2.811 2.074 3.375 . 0 0 "[ . 1 . 2 ]" 1
108 1 34 LEU H 1 118 LEU MD1 . . 5.000 4.297 4.171 4.436 . 0 0 "[ . 1 . 2 ]" 1
109 1 34 LEU HA 1 35 THR H . . 3.000 2.444 2.155 2.889 . 0 0 "[ . 1 . 2 ]" 1
110 1 34 LEU HB2 1 35 THR H . . 4.500 3.739 3.453 4.187 . 0 0 "[ . 1 . 2 ]" 1
111 1 34 LEU HB3 1 35 THR H . . 4.500 3.432 2.301 3.912 . 0 0 "[ . 1 . 2 ]" 1
112 1 34 LEU MD1 1 35 THR H . . 3.000 1.735 1.391 1.974 . 0 0 "[ . 1 . 2 ]" 1
113 1 34 LEU MD1 1 38 GLY H . . 5.000 4.147 4.061 4.247 . 0 0 "[ . 1 . 2 ]" 1
114 1 34 LEU MD1 1 118 LEU MD1 . . 5.500 3.760 3.570 3.937 . 0 0 "[ . 1 . 2 ]" 1
115 1 34 LEU MD2 1 118 LEU MD1 . . 5.500 1.958 1.563 2.227 . 0 0 "[ . 1 . 2 ]" 1
116 1 34 LEU HG 1 35 THR H . . 3.000 2.027 1.800 3.044 0.044 19 0 "[ . 1 . 2 ]" 1
117 1 35 THR H 1 38 GLY H . . 4.500 3.916 3.659 4.609 0.109 6 0 "[ . 1 . 2 ]" 1
118 1 35 THR H 1 115 THR MG . . 5.000 4.216 4.103 4.270 . 0 0 "[ . 1 . 2 ]" 1
119 1 35 THR HA 1 115 THR HB . . 5.500 5.357 5.013 5.694 0.194 19 0 "[ . 1 . 2 ]" 1
120 1 36 PRO HA 1 37 GLU H . . 4.000 3.541 3.536 3.548 . 0 0 "[ . 1 . 2 ]" 1
121 1 36 PRO HA 1 39 LEU H . . 4.000 3.575 3.280 3.829 . 0 0 "[ . 1 . 2 ]" 1
122 1 36 PRO HA 1 39 LEU HB2 . . 4.500 3.135 2.072 3.922 . 0 0 "[ . 1 . 2 ]" 1
123 1 36 PRO HA 1 39 LEU HB3 . . 4.500 3.303 2.540 3.757 . 0 0 "[ . 1 . 2 ]" 1
124 1 36 PRO HA 1 40 ALA H . . 4.700 4.676 4.453 4.873 0.173 13 0 "[ . 1 . 2 ]" 1
125 1 36 PRO HB2 1 37 GLU H . . 4.000 2.987 2.893 3.029 . 0 0 "[ . 1 . 2 ]" 1
126 1 36 PRO HB3 1 37 GLU H . . 4.000 3.996 3.942 4.019 0.019 3 0 "[ . 1 . 2 ]" 1
127 1 36 PRO HD2 1 37 GLU H . . 4.000 2.242 2.227 2.283 . 0 0 "[ . 1 . 2 ]" 1
128 1 36 PRO HD3 1 37 GLU H . . 4.500 3.638 3.627 3.666 . 0 0 "[ . 1 . 2 ]" 1
129 1 36 PRO HG2 1 37 GLU H . . 5.000 2.531 2.449 2.568 . 0 0 "[ . 1 . 2 ]" 1
130 1 36 PRO HG3 1 37 GLU H . . 5.000 3.851 3.800 3.874 . 0 0 "[ . 1 . 2 ]" 1
131 1 37 GLU H 1 38 GLY H . . 3.000 2.453 2.325 2.689 . 0 0 "[ . 1 . 2 ]" 1
132 1 37 GLU HA 1 38 GLY H . . 3.500 3.473 3.403 3.530 0.030 1 0 "[ . 1 . 2 ]" 1
133 1 37 GLU HA 1 40 ALA H . . 4.000 3.738 3.626 3.895 . 0 0 "[ . 1 . 2 ]" 1
134 1 37 GLU HA 1 40 ALA MB . . 4.500 3.304 2.571 3.754 . 0 0 "[ . 1 . 2 ]" 1
135 1 37 GLU HA 1 41 ARG H . . 4.500 4.224 3.732 4.731 0.231 3 0 "[ . 1 . 2 ]" 1
136 1 37 GLU HB2 1 38 GLY H . . 4.000 3.512 2.999 4.005 0.005 2 0 "[ . 1 . 2 ]" 1
137 1 37 GLU HB3 1 38 GLY H . . 4.000 3.336 2.532 3.989 . 0 0 "[ . 1 . 2 ]" 1
138 1 38 GLY H 1 39 LEU H . . 3.000 2.434 2.369 2.603 . 0 0 "[ . 1 . 2 ]" 1
139 1 38 GLY H 1 41 ARG H . . 5.000 4.580 4.412 4.763 . 0 0 "[ . 1 . 2 ]" 1
140 1 38 GLY HA2 1 39 LEU H . . 4.000 3.501 3.428 3.559 . 0 0 "[ . 1 . 2 ]" 1
141 1 38 GLY HA2 1 41 ARG H . . 4.000 3.093 2.777 3.431 . 0 0 "[ . 1 . 2 ]" 1
142 1 38 GLY HA2 1 41 ARG HB2 . . 4.500 3.087 2.172 4.536 0.036 8 0 "[ . 1 . 2 ]" 1
143 1 38 GLY HA2 1 41 ARG HB3 . . 4.500 3.304 2.215 4.368 . 0 0 "[ . 1 . 2 ]" 1
144 1 38 GLY HA2 1 42 GLU H . . 4.500 2.067 1.774 4.056 . 0 0 "[ . 1 . 2 ]" 1
145 1 38 GLY HA3 1 39 LEU H . . 3.500 2.856 2.578 3.039 . 0 0 "[ . 1 . 2 ]" 1
146 1 39 LEU H 1 40 ALA H . . 3.000 2.679 2.606 2.754 . 0 0 "[ . 1 . 2 ]" 1
147 1 39 LEU HA 1 40 ALA H . . 4.000 3.476 3.397 3.526 . 0 0 "[ . 1 . 2 ]" 1
148 1 39 LEU HA 1 42 GLU H . . 4.500 4.379 3.484 4.529 0.029 18 0 "[ . 1 . 2 ]" 1
149 1 39 LEU HA 1 42 GLU HB2 . . 4.500 3.969 3.142 4.558 0.058 2 0 "[ . 1 . 2 ]" 1
150 1 39 LEU HA 1 42 GLU HB3 . . 4.500 4.072 3.326 4.769 0.269 12 0 "[ . 1 . 2 ]" 1
151 1 39 LEU HA 1 43 HIS H . . 4.500 3.378 2.681 4.143 . 0 0 "[ . 1 . 2 ]" 1
152 1 39 LEU HB2 1 40 ALA H . . 4.000 3.710 3.352 4.098 0.098 11 0 "[ . 1 . 2 ]" 1
153 1 39 LEU HB3 1 40 ALA H . . 4.000 2.910 2.567 3.242 . 0 0 "[ . 1 . 2 ]" 1
154 1 39 LEU MD1 1 92 TRP HZ3 . . 5.000 3.142 2.060 4.265 . 0 0 "[ . 1 . 2 ]" 1
155 1 39 LEU MD1 1 114 ILE MG . . 5.500 2.494 1.892 3.487 . 0 0 "[ . 1 . 2 ]" 1
156 1 39 LEU MD2 1 40 ALA H . . 5.000 4.021 3.376 4.437 . 0 0 "[ . 1 . 2 ]" 1
157 1 39 LEU MD2 1 103 VAL QG . . 5.000 1.675 1.077 2.641 . 0 0 "[ . 1 . 2 ]" 1
158 1 39 LEU MD2 1 114 ILE MG . . 5.500 2.970 2.277 3.551 . 0 0 "[ . 1 . 2 ]" 1
159 1 40 ALA H 1 41 ARG H . . 3.000 2.339 2.221 2.466 . 0 0 "[ . 1 . 2 ]" 1
160 1 40 ALA H 1 103 VAL QG . . 5.000 4.146 3.952 4.310 . 0 0 "[ . 1 . 2 ]" 1
161 1 40 ALA HA 1 41 ARG H . . 4.000 3.520 3.423 3.543 . 0 0 "[ . 1 . 2 ]" 1
162 1 40 ALA HA 1 43 HIS H . . 4.500 4.106 3.573 4.547 0.047 16 0 "[ . 1 . 2 ]" 1
163 1 40 ALA HA 1 43 HIS HB2 . . 4.500 3.565 2.267 4.501 0.001 2 0 "[ . 1 . 2 ]" 1
164 1 40 ALA HA 1 43 HIS HB3 . . 4.500 3.476 2.963 3.763 . 0 0 "[ . 1 . 2 ]" 1
165 1 40 ALA HA 1 44 SER H . . 5.000 4.818 4.353 4.945 . 0 0 "[ . 1 . 2 ]" 1
166 1 40 ALA HA 1 103 VAL QG . . 5.500 3.160 2.583 3.536 . 0 0 "[ . 1 . 2 ]" 1
167 1 40 ALA MB 1 41 ARG H . . 3.500 2.480 2.340 2.910 . 0 0 "[ . 1 . 2 ]" 1
168 1 41 ARG H 1 42 GLU H . . 3.000 2.469 2.126 2.771 . 0 0 "[ . 1 . 2 ]" 1
169 1 41 ARG HA 1 42 GLU H . . 4.000 3.533 3.165 3.556 . 0 0 "[ . 1 . 2 ]" 1
170 1 41 ARG HA 1 44 SER H . . 4.000 3.643 3.361 4.342 0.342 10 0 "[ . 1 . 2 ]" 1
171 1 41 ARG HA 1 44 SER HB2 . . 4.500 3.979 3.238 4.687 0.187 18 0 "[ . 1 . 2 ]" 1
172 1 41 ARG HA 1 44 SER HB3 . . 4.500 3.945 3.166 4.664 0.164 5 0 "[ . 1 . 2 ]" 1
173 1 41 ARG HA 1 45 ARG H . . 4.500 4.486 4.072 4.873 0.373 17 0 "[ . 1 . 2 ]" 1
174 1 41 ARG HB2 1 42 GLU H . . 4.000 2.914 2.158 3.896 . 0 0 "[ . 1 . 2 ]" 1
175 1 41 ARG HB3 1 42 GLU H . . 4.000 2.720 2.148 3.989 . 0 0 "[ . 1 . 2 ]" 1
176 1 42 GLU H 1 43 HIS H . . 3.000 2.640 1.756 2.814 . 0 0 "[ . 1 . 2 ]" 1
177 1 42 GLU HA 1 43 HIS H . . 4.000 3.452 3.354 3.511 . 0 0 "[ . 1 . 2 ]" 1
178 1 42 GLU HA 1 45 ARG H . . 4.000 3.196 2.999 3.368 . 0 0 "[ . 1 . 2 ]" 1
179 1 42 GLU HA 1 45 ARG HB2 . . 4.500 2.585 2.002 4.484 . 0 0 "[ . 1 . 2 ]" 1
180 1 42 GLU HA 1 45 ARG HB3 . . 4.500 3.481 2.196 4.245 . 0 0 "[ . 1 . 2 ]" 1
181 1 42 GLU HA 1 46 LEU H . . 4.500 3.152 2.589 3.358 . 0 0 "[ . 1 . 2 ]" 1
182 1 42 GLU HB2 1 43 HIS H . . 4.000 3.351 2.715 3.994 . 0 0 "[ . 1 . 2 ]" 1
183 1 42 GLU HB3 1 43 HIS H . . 4.000 3.386 2.699 4.060 0.060 12 0 "[ . 1 . 2 ]" 1
184 1 42 GLU HB3 1 46 LEU H . . 4.500 4.144 3.447 4.699 0.199 10 0 "[ . 1 . 2 ]" 1
185 1 43 HIS H 1 44 SER H . . 3.000 2.755 2.684 2.820 . 0 0 "[ . 1 . 2 ]" 1
186 1 43 HIS H 1 46 LEU H . . 5.000 4.275 4.196 4.346 . 0 0 "[ . 1 . 2 ]" 1
187 1 43 HIS HA 1 44 SER H . . 4.000 3.534 3.491 3.542 . 0 0 "[ . 1 . 2 ]" 1
188 1 43 HIS HA 1 46 LEU H . . 5.000 3.589 3.411 3.976 . 0 0 "[ . 1 . 2 ]" 1
189 1 43 HIS HA 1 46 LEU HB2 . . 4.500 2.776 2.237 3.710 . 0 0 "[ . 1 . 2 ]" 1
190 1 43 HIS HA 1 46 LEU HB3 . . 4.500 4.075 3.482 4.525 0.025 18 0 "[ . 1 . 2 ]" 1
191 1 43 HIS HB2 1 44 SER H . . 4.000 3.606 3.190 4.001 0.001 10 0 "[ . 1 . 2 ]" 1
192 1 43 HIS HB3 1 44 SER H . . 4.000 2.554 2.458 2.785 . 0 0 "[ . 1 . 2 ]" 1
193 1 43 HIS HE1 1 100 SER HA . . 4.500 4.333 3.551 4.713 0.213 7 0 "[ . 1 . 2 ]" 1
194 1 43 HIS HE1 1 103 VAL QG . . 4.000 4.536 4.006 5.168 1.168 11 12 "[*** . *-**+ ** * *]" 1
195 1 44 SER H 1 45 ARG H . . 3.000 2.602 2.440 2.751 . 0 0 "[ . 1 . 2 ]" 1
196 1 44 SER H 1 47 ALA H . . 5.000 4.565 4.439 4.693 . 0 0 "[ . 1 . 2 ]" 1
197 1 44 SER HA 1 45 ARG H . . 4.000 3.522 3.484 3.541 . 0 0 "[ . 1 . 2 ]" 1
198 1 44 SER HA 1 47 ALA H . . 4.500 3.609 3.407 3.961 . 0 0 "[ . 1 . 2 ]" 1
199 1 44 SER HB2 1 45 ARG H . . 4.000 3.650 3.377 3.770 . 0 0 "[ . 1 . 2 ]" 1
200 1 44 SER HB3 1 45 ARG H . . 4.000 2.566 2.396 2.804 . 0 0 "[ . 1 . 2 ]" 1
201 1 45 ARG H 1 46 LEU H . . 5.000 2.510 2.428 2.538 . 0 0 "[ . 1 . 2 ]" 1
202 1 45 ARG HA 1 46 LEU H . . 4.000 3.531 3.515 3.539 . 0 0 "[ . 1 . 2 ]" 1
203 1 45 ARG HB2 1 46 LEU H . . 4.000 2.916 2.448 3.594 . 0 0 "[ . 1 . 2 ]" 1
204 1 45 ARG HB3 1 46 LEU H . . 4.000 3.097 2.490 3.953 . 0 0 "[ . 1 . 2 ]" 1
205 1 46 LEU H 1 47 ALA H . . 3.500 2.487 2.404 2.655 . 0 0 "[ . 1 . 2 ]" 1
206 1 46 LEU HA 1 47 ALA H . . 4.000 3.291 3.178 3.358 . 0 0 "[ . 1 . 2 ]" 1
207 1 46 LEU HA 1 52 ALA H . . 5.000 2.005 1.835 2.507 . 0 0 "[ . 1 . 2 ]" 1
208 1 46 LEU HA 1 53 LEU H . . 4.000 3.021 2.777 3.273 . 0 0 "[ . 1 . 2 ]" 1
209 1 46 LEU HA 1 54 ARG H . . 5.000 4.139 3.927 4.502 . 0 0 "[ . 1 . 2 ]" 1
210 1 46 LEU HB2 1 47 ALA H . . 4.000 3.486 3.279 3.968 . 0 0 "[ . 1 . 2 ]" 1
211 1 46 LEU HB2 1 53 LEU H . . 4.000 3.496 3.383 3.782 . 0 0 "[ . 1 . 2 ]" 1
212 1 46 LEU HB3 1 47 ALA H . . 4.000 4.074 3.879 4.174 0.174 1 0 "[ . 1 . 2 ]" 1
213 1 46 LEU MD2 1 53 LEU H . . 4.500 3.479 2.929 3.673 . 0 0 "[ . 1 . 2 ]" 1
214 1 46 LEU O 1 53 LEU H . . 2.000 2.189 1.900 2.321 0.321 21 0 "[ . 1 . 2 ]" 1
215 1 46 LEU O 1 53 LEU N . . 3.000 2.773 2.620 2.902 . 0 0 "[ . 1 . 2 ]" 1
216 1 47 ALA H 1 48 SER H . . 4.000 2.228 1.984 3.868 . 0 0 "[ . 1 . 2 ]" 1
217 1 47 ALA H 1 51 GLY HA2 . . 5.000 4.366 4.071 4.649 . 0 0 "[ . 1 . 2 ]" 1
218 1 47 ALA H 1 53 LEU H . . 5.000 4.843 4.667 4.975 . 0 0 "[ . 1 . 2 ]" 1
219 1 47 ALA H 1 53 LEU HB3 . . 5.300 4.991 3.925 5.447 0.147 12 0 "[ . 1 . 2 ]" 1
220 1 47 ALA HA 1 48 SER H . . 4.000 3.109 2.166 3.258 . 0 0 "[ . 1 . 2 ]" 1
221 1 47 ALA HA 1 54 ARG H . . 5.000 3.067 2.810 3.320 . 0 0 "[ . 1 . 2 ]" 1
222 1 47 ALA MB 1 48 SER H . . 4.000 3.373 3.271 3.561 . 0 0 "[ . 1 . 2 ]" 1
223 1 47 ALA MB 1 94 THR H . . 4.500 3.440 3.002 3.695 . 0 0 "[ . 1 . 2 ]" 1
224 1 47 ALA MB 1 95 THR H . . 5.000 2.945 2.394 3.531 . 0 0 "[ . 1 . 2 ]" 1
225 1 48 SER H 1 49 GLY H . . 4.500 4.218 3.686 4.401 . 0 0 "[ . 1 . 2 ]" 1
226 1 48 SER H 1 51 GLY H . . 5.000 3.734 2.900 3.946 . 0 0 "[ . 1 . 2 ]" 1
227 1 48 SER H 1 51 GLY HA2 . . 4.000 3.583 3.212 3.996 . 0 0 "[ . 1 . 2 ]" 1
228 1 48 SER H 1 51 GLY HA3 . . 4.500 2.790 2.401 2.942 . 0 0 "[ . 1 . 2 ]" 1
229 1 48 SER H 1 54 ARG H . . 5.000 4.852 4.000 5.046 0.046 18 0 "[ . 1 . 2 ]" 1
230 1 48 SER H 1 54 ARG HB2 . . 4.500 4.291 2.667 4.567 0.067 10 0 "[ . 1 . 2 ]" 1
231 1 48 SER H 1 54 ARG HB3 . . 4.500 4.362 2.571 4.560 0.060 15 0 "[ . 1 . 2 ]" 1
232 1 48 SER HA 1 49 GLY H . . 3.500 2.905 2.730 3.431 . 0 0 "[ . 1 . 2 ]" 1
233 1 48 SER HA 1 51 GLY H . . 5.000 4.643 4.549 4.814 . 0 0 "[ . 1 . 2 ]" 1
234 1 48 SER HB2 1 49 GLY H . . 3.500 3.101 2.059 3.445 . 0 0 "[ . 1 . 2 ]" 1
235 1 48 SER HB3 1 49 GLY H . . 3.500 2.059 1.807 3.363 . 0 0 "[ . 1 . 2 ]" 1
236 1 49 GLY HA2 1 50 ASP H . . 3.500 2.117 2.110 2.141 . 0 0 "[ . 1 . 2 ]" 1
237 1 49 GLY HA3 1 50 ASP H . . 3.500 3.299 3.241 3.377 . 0 0 "[ . 1 . 2 ]" 1
238 1 50 ASP H 1 51 GLY H . . 3.000 2.508 2.396 2.677 . 0 0 "[ . 1 . 2 ]" 1
239 1 50 ASP HA 1 51 GLY H . . 3.500 3.275 3.068 3.387 . 0 0 "[ . 1 . 2 ]" 1
240 1 50 ASP HA 1 55 SER H . . 5.000 5.053 4.996 5.118 0.118 1 0 "[ . 1 . 2 ]" 1
241 1 50 ASP HB2 1 51 GLY H . . 4.000 3.936 3.852 4.042 0.042 4 0 "[ . 1 . 2 ]" 1
242 1 50 ASP HB3 1 51 GLY H . . 4.000 3.535 3.191 4.037 0.037 11 0 "[ . 1 . 2 ]" 1
243 1 51 GLY H 1 52 ALA H . . 4.500 4.593 4.535 4.627 0.127 3 0 "[ . 1 . 2 ]" 1
244 1 51 GLY H 1 54 ARG H . . 5.000 4.760 4.473 4.926 . 0 0 "[ . 1 . 2 ]" 1
245 1 51 GLY H 1 54 ARG HD3 . . 5.000 4.018 3.551 4.815 . 0 0 "[ . 1 . 2 ]" 1
246 1 51 GLY H 1 55 SER H . . 5.000 4.632 4.504 4.852 . 0 0 "[ . 1 . 2 ]" 1
247 1 51 GLY HA2 1 52 ALA H . . 3.500 2.157 2.120 2.201 . 0 0 "[ . 1 . 2 ]" 1
248 1 51 GLY HA2 1 54 ARG H . . 4.000 4.101 4.006 4.166 0.166 9 0 "[ . 1 . 2 ]" 1
249 1 51 GLY HA2 1 55 SER H . . 5.000 4.584 4.450 4.762 . 0 0 "[ . 1 . 2 ]" 1
250 1 51 GLY HA3 1 52 ALA H . . 3.500 3.071 2.979 3.174 . 0 0 "[ . 1 . 2 ]" 1
251 1 51 GLY HA3 1 55 SER H . . 5.000 3.769 3.541 4.079 . 0 0 "[ . 1 . 2 ]" 1
252 1 51 GLY O 1 55 SER H . . 2.000 1.510 1.381 1.575 . 0 0 "[ . 1 . 2 ]" 1
253 1 51 GLY O 1 55 SER N . . 3.000 2.412 2.297 2.466 . 0 0 "[ . 1 . 2 ]" 1
254 1 52 ALA H 1 53 LEU H . . 3.000 2.589 2.518 2.681 . 0 0 "[ . 1 . 2 ]" 1
255 1 52 ALA H 1 55 SER H . . 5.000 4.318 4.179 4.468 . 0 0 "[ . 1 . 2 ]" 1
256 1 52 ALA HA 1 53 LEU H . . 4.000 3.520 3.491 3.537 . 0 0 "[ . 1 . 2 ]" 1
257 1 52 ALA HA 1 55 SER H . . 4.000 3.343 3.224 3.441 . 0 0 "[ . 1 . 2 ]" 1
258 1 52 ALA HA 1 55 SER HB2 . . 4.500 3.803 3.008 4.438 . 0 0 "[ . 1 . 2 ]" 1
259 1 52 ALA HA 1 55 SER HB3 . . 4.500 3.093 2.493 3.754 . 0 0 "[ . 1 . 2 ]" 1
260 1 52 ALA HA 1 56 LEU H . . 4.500 3.891 3.771 4.165 . 0 0 "[ . 1 . 2 ]" 1
261 1 52 ALA MB 1 53 LEU H . . 4.000 2.514 2.398 2.663 . 0 0 "[ . 1 . 2 ]" 1
262 1 53 LEU H 1 54 ARG H . . 3.000 2.459 2.432 2.502 . 0 0 "[ . 1 . 2 ]" 1
263 1 53 LEU H 1 93 GLY HA2 . . 5.000 4.842 4.601 5.374 0.374 8 0 "[ . 1 . 2 ]" 1
264 1 53 LEU HA 1 54 ARG H . . 4.000 3.473 3.459 3.512 . 0 0 "[ . 1 . 2 ]" 1
265 1 53 LEU HA 1 56 LEU H . . 4.000 3.535 3.411 3.652 . 0 0 "[ . 1 . 2 ]" 1
266 1 53 LEU HA 1 56 LEU HB2 . . 4.500 4.186 3.797 4.507 0.007 3 0 "[ . 1 . 2 ]" 1
267 1 53 LEU HA 1 56 LEU HB3 . . 4.500 2.696 2.418 3.004 . 0 0 "[ . 1 . 2 ]" 1
268 1 53 LEU HA 1 57 SER H . . 4.500 4.540 4.287 4.750 0.250 8 0 "[ . 1 . 2 ]" 1
269 1 53 LEU HB2 1 54 ARG H . . 4.000 3.435 3.258 4.005 0.005 8 0 "[ . 1 . 2 ]" 1
270 1 53 LEU HB3 1 54 ARG H . . 4.000 3.112 2.654 3.322 . 0 0 "[ . 1 . 2 ]" 1
271 1 53 LEU MD1 1 92 TRP HE3 . . 5.200 2.812 2.650 3.010 . 0 0 "[ . 1 . 2 ]" 1
272 1 53 LEU MD1 1 92 TRP HZ3 . . 5.200 4.499 4.234 4.625 . 0 0 "[ . 1 . 2 ]" 1
273 1 53 LEU MD1 1 118 LEU MD1 . . 5.500 2.290 1.964 2.462 . 0 0 "[ . 1 . 2 ]" 1
274 1 53 LEU MD1 1 118 LEU MD2 . . 5.500 3.523 3.405 3.654 . 0 0 "[ . 1 . 2 ]" 1
275 1 53 LEU MD2 1 92 TRP HB2 . . 5.200 2.840 2.298 4.071 . 0 0 "[ . 1 . 2 ]" 1
276 1 53 LEU MD2 1 92 TRP HB3 . . 5.200 2.381 2.136 3.077 . 0 0 "[ . 1 . 2 ]" 1
277 1 53 LEU MD2 1 92 TRP HE3 . . 5.200 3.752 1.715 4.260 . 0 0 "[ . 1 . 2 ]" 1
278 1 54 ARG H 1 55 SER H . . 3.000 2.374 2.321 2.495 . 0 0 "[ . 1 . 2 ]" 1
279 1 54 ARG H 1 55 SER HB3 . . 5.000 4.754 4.493 5.048 0.048 23 0 "[ . 1 . 2 ]" 1
280 1 54 ARG H 1 57 SER H . . 5.000 4.915 4.777 5.027 0.027 8 0 "[ . 1 . 2 ]" 1
281 1 54 ARG H 1 93 GLY HA2 . . 5.000 3.628 3.410 3.830 . 0 0 "[ . 1 . 2 ]" 1
282 1 54 ARG H 1 93 GLY HA3 . . 5.000 4.727 4.423 5.067 0.067 17 0 "[ . 1 . 2 ]" 1
283 1 54 ARG HA 1 55 SER H . . 3.500 3.509 3.480 3.528 0.028 19 0 "[ . 1 . 2 ]" 1
284 1 54 ARG HA 1 57 SER H . . 4.000 3.485 3.378 3.604 . 0 0 "[ . 1 . 2 ]" 1
285 1 54 ARG HA 1 57 SER HB2 . . 4.500 4.194 2.875 4.566 0.066 22 0 "[ . 1 . 2 ]" 1
286 1 54 ARG HA 1 57 SER HB3 . . 4.500 3.314 2.889 4.631 0.131 2 0 "[ . 1 . 2 ]" 1
287 1 54 ARG HA 1 58 THR H . . 4.500 4.188 3.793 4.340 . 0 0 "[ . 1 . 2 ]" 1
288 1 54 ARG HA 1 93 GLY H . . 5.000 4.870 4.516 5.120 0.120 7 0 "[ . 1 . 2 ]" 1
289 1 54 ARG HA 1 93 GLY HA2 . . 5.200 2.679 2.047 2.981 . 0 0 "[ . 1 . 2 ]" 1
290 1 54 ARG HA 1 93 GLY HA3 . . 5.200 2.650 2.173 2.905 . 0 0 "[ . 1 . 2 ]" 1
291 1 54 ARG HB2 1 55 SER H . . 4.000 3.940 3.872 3.991 . 0 0 "[ . 1 . 2 ]" 1
292 1 54 ARG HB3 1 55 SER H . . 4.000 2.669 2.555 2.807 . 0 0 "[ . 1 . 2 ]" 1
293 1 54 ARG QH2 1 94 THR H . . 5.000 6.746 5.980 7.209 2.209 3 23 [**+****************-***] 1
294 1 54 ARG O 1 58 THR H . . 2.000 1.990 1.614 2.096 0.096 18 0 "[ . 1 . 2 ]" 1
295 1 54 ARG O 1 58 THR N . . 3.000 2.943 2.594 3.062 0.062 18 0 "[ . 1 . 2 ]" 1
296 1 55 SER H 1 56 LEU H . . 3.000 2.496 2.408 2.585 . 0 0 "[ . 1 . 2 ]" 1
297 1 55 SER H 1 58 THR H . . 5.000 4.660 4.488 4.788 . 0 0 "[ . 1 . 2 ]" 1
298 1 55 SER HA 1 56 LEU H . . 4.000 3.471 3.448 3.499 . 0 0 "[ . 1 . 2 ]" 1
299 1 55 SER HA 1 58 THR H . . 4.000 3.218 3.119 3.316 . 0 0 "[ . 1 . 2 ]" 1
300 1 55 SER HA 1 58 THR HB . . 4.500 2.216 2.005 2.455 . 0 0 "[ . 1 . 2 ]" 1
301 1 55 SER HA 1 59 ALA H . . 4.500 3.313 3.042 3.638 . 0 0 "[ . 1 . 2 ]" 1
302 1 55 SER HB2 1 56 LEU H . . 4.000 3.915 3.704 4.034 0.034 9 0 "[ . 1 . 2 ]" 1
303 1 55 SER HB3 1 56 LEU H . . 4.000 3.434 2.715 3.999 . 0 0 "[ . 1 . 2 ]" 1
304 1 55 SER O 1 59 ALA H . . 2.000 1.504 1.447 1.655 . 0 0 "[ . 1 . 2 ]" 1
305 1 55 SER O 1 59 ALA N . . 3.000 2.449 2.394 2.627 . 0 0 "[ . 1 . 2 ]" 1
306 1 56 LEU H 1 57 SER H . . 3.000 2.647 2.595 2.680 . 0 0 "[ . 1 . 2 ]" 1
307 1 56 LEU HA 1 57 SER H . . 4.000 3.525 3.515 3.530 . 0 0 "[ . 1 . 2 ]" 1
308 1 56 LEU HA 1 59 ALA H . . 4.000 3.603 3.377 3.788 . 0 0 "[ . 1 . 2 ]" 1
309 1 56 LEU HA 1 59 ALA MB . . 4.500 2.598 2.318 2.834 . 0 0 "[ . 1 . 2 ]" 1
310 1 56 LEU HA 1 60 LEU H . . 4.500 3.877 3.559 4.158 . 0 0 "[ . 1 . 2 ]" 1
311 1 56 LEU HB2 1 57 SER H . . 4.000 4.076 4.031 4.098 0.098 20 0 "[ . 1 . 2 ]" 1
312 1 56 LEU HB3 1 57 SER H . . 4.000 3.171 2.932 3.413 . 0 0 "[ . 1 . 2 ]" 1
313 1 56 LEU MD1 1 57 SER H . . 5.000 3.640 3.049 4.267 . 0 0 "[ . 1 . 2 ]" 1
314 1 56 LEU MD1 1 79 LEU MD1 . . 5.200 3.373 3.226 3.560 . 0 0 "[ . 1 . 2 ]" 1
315 1 56 LEU MD1 1 121 VAL MG1 . . 5.200 2.917 2.567 3.455 . 0 0 "[ . 1 . 2 ]" 1
316 1 56 LEU MD1 1 125 VAL MG1 . . 5.200 3.206 2.306 3.450 . 0 0 "[ . 1 . 2 ]" 1
317 1 56 LEU MD1 1 125 VAL MG2 . . 5.200 2.540 2.152 2.980 . 0 0 "[ . 1 . 2 ]" 1
318 1 56 LEU MD2 1 89 LEU MD1 . . 5.200 2.589 1.613 3.162 . 0 0 "[ . 1 . 2 ]" 1
319 1 57 SER H 1 58 THR H . . 3.000 2.528 2.448 2.632 . 0 0 "[ . 1 . 2 ]" 1
320 1 57 SER H 1 60 LEU H . . 5.000 4.564 4.492 4.662 . 0 0 "[ . 1 . 2 ]" 1
321 1 57 SER H 1 93 GLY HA2 . . 5.200 4.495 3.963 4.871 . 0 0 "[ . 1 . 2 ]" 1
322 1 57 SER H 1 93 GLY HA3 . . 5.200 3.783 3.424 4.081 . 0 0 "[ . 1 . 2 ]" 1
323 1 57 SER HA 1 58 THR H . . 4.000 3.516 3.494 3.533 . 0 0 "[ . 1 . 2 ]" 1
324 1 57 SER HA 1 60 LEU H . . 4.500 3.546 3.384 3.756 . 0 0 "[ . 1 . 2 ]" 1
325 1 57 SER HA 1 60 LEU HB2 . . 4.500 2.578 2.266 2.880 . 0 0 "[ . 1 . 2 ]" 1
326 1 57 SER HA 1 60 LEU HB3 . . 4.500 3.985 3.565 4.347 . 0 0 "[ . 1 . 2 ]" 1
327 1 57 SER HA 1 61 ALA H . . 4.500 4.069 3.754 4.238 . 0 0 "[ . 1 . 2 ]" 1
328 1 57 SER HA 1 80 LEU MD2 . . 5.200 3.792 3.458 4.260 . 0 0 "[ . 1 . 2 ]" 1
329 1 57 SER HB2 1 58 THR H . . 4.000 3.859 2.614 4.071 0.071 12 0 "[ . 1 . 2 ]" 1
330 1 57 SER HB2 1 93 GLY H . . 5.000 4.553 4.324 5.105 0.105 2 0 "[ . 1 . 2 ]" 1
331 1 57 SER HB3 1 58 THR H . . 4.000 2.770 2.575 3.674 . 0 0 "[ . 1 . 2 ]" 1
332 1 57 SER HB3 1 93 GLY H . . 5.000 5.081 4.714 5.186 0.186 2 0 "[ . 1 . 2 ]" 1
333 1 57 SER O 1 61 ALA H . . 2.000 2.023 1.820 2.105 0.105 2 0 "[ . 1 . 2 ]" 1
334 1 57 SER O 1 61 ALA N . . 3.000 2.994 2.773 3.085 0.085 21 0 "[ . 1 . 2 ]" 1
335 1 58 THR H 1 59 ALA H . . 4.000 2.577 2.484 2.641 . 0 0 "[ . 1 . 2 ]" 1
336 1 58 THR HA 1 59 ALA H . . 4.000 3.530 3.520 3.534 . 0 0 "[ . 1 . 2 ]" 1
337 1 58 THR HA 1 61 ALA H . . 3.500 3.406 3.246 3.568 0.068 21 0 "[ . 1 . 2 ]" 1
338 1 58 THR HA 1 61 ALA MB . . 4.500 2.670 2.357 3.074 . 0 0 "[ . 1 . 2 ]" 1
339 1 58 THR HA 1 62 GLY H . . 4.500 4.066 3.838 4.228 . 0 0 "[ . 1 . 2 ]" 1
340 1 58 THR HB 1 59 ALA H . . 4.000 2.793 2.677 2.879 . 0 0 "[ . 1 . 2 ]" 1
341 1 58 THR MG 1 62 GLY H . . 5.000 4.096 3.977 4.201 . 0 0 "[ . 1 . 2 ]" 1
342 1 58 THR O 1 62 GLY H . . 2.000 1.903 1.781 2.025 0.025 21 0 "[ . 1 . 2 ]" 1
343 1 58 THR O 1 62 GLY N . . 3.000 2.826 2.637 2.977 . 0 0 "[ . 1 . 2 ]" 1
344 1 59 ALA H 1 60 LEU H . . 3.000 2.604 2.507 2.709 . 0 0 "[ . 1 . 2 ]" 1
345 1 59 ALA H 1 62 GLY H . . 5.000 4.632 4.498 4.731 . 0 0 "[ . 1 . 2 ]" 1
346 1 59 ALA HA 1 60 LEU H . . 4.000 3.503 3.485 3.531 . 0 0 "[ . 1 . 2 ]" 1
347 1 59 ALA HA 1 62 GLY H . . 3.500 3.369 3.242 3.495 . 0 0 "[ . 1 . 2 ]" 1
348 1 59 ALA HA 1 63 ILE H . . 4.500 4.409 4.253 4.609 0.109 9 0 "[ . 1 . 2 ]" 1
349 1 59 ALA MB 1 60 LEU H . . 4.000 2.602 2.439 2.696 . 0 0 "[ . 1 . 2 ]" 1
350 1 60 LEU H 1 61 ALA H . . 3.000 2.670 2.566 2.769 . 0 0 "[ . 1 . 2 ]" 1
351 1 60 LEU H 1 63 ILE H . . 5.000 4.711 4.584 4.837 . 0 0 "[ . 1 . 2 ]" 1
352 1 60 LEU H 1 80 LEU MD1 . . 5.000 3.815 3.501 3.941 . 0 0 "[ . 1 . 2 ]" 1
353 1 60 LEU HA 1 61 ALA H . . 4.000 3.534 3.533 3.538 . 0 0 "[ . 1 . 2 ]" 1
354 1 60 LEU HA 1 63 ILE H . . 3.500 3.315 3.166 3.475 . 0 0 "[ . 1 . 2 ]" 1
355 1 60 LEU HA 1 63 ILE HB . . 4.500 2.713 2.591 2.976 . 0 0 "[ . 1 . 2 ]" 1
356 1 60 LEU HA 1 64 ARG H . . 4.500 4.265 3.886 4.394 . 0 0 "[ . 1 . 2 ]" 1
357 1 60 LEU HA 1 76 ALA MB . . 5.500 3.045 2.744 3.353 . 0 0 "[ . 1 . 2 ]" 1
358 1 60 LEU HB2 1 61 ALA H . . 4.000 2.739 2.588 2.962 . 0 0 "[ . 1 . 2 ]" 1
359 1 60 LEU HB3 1 61 ALA H . . 3.500 3.128 2.872 3.360 . 0 0 "[ . 1 . 2 ]" 1
360 1 60 LEU HB3 1 64 ARG H . . 5.000 4.989 4.702 5.162 0.162 1 0 "[ . 1 . 2 ]" 1
361 1 60 LEU HB3 1 76 ALA MB . . 5.500 2.591 2.126 3.302 . 0 0 "[ . 1 . 2 ]" 1
362 1 60 LEU HB3 1 80 LEU H . . 5.000 4.522 4.313 4.684 . 0 0 "[ . 1 . 2 ]" 1
363 1 60 LEU MD1 1 80 LEU H . . 5.000 3.587 3.087 3.955 . 0 0 "[ . 1 . 2 ]" 1
364 1 60 LEU O 1 63 ILE H . . 2.000 2.154 2.109 2.233 0.233 21 0 "[ . 1 . 2 ]" 1
365 1 60 LEU O 1 63 ILE N . . 3.000 2.877 2.832 2.991 . 0 0 "[ . 1 . 2 ]" 1
366 1 60 LEU O 1 64 ARG H . . 2.000 1.960 1.668 2.096 0.096 17 0 "[ . 1 . 2 ]" 1
367 1 60 LEU O 1 64 ARG N . . 3.000 2.894 2.618 3.079 0.079 17 0 "[ . 1 . 2 ]" 1
368 1 61 ALA H 1 62 GLY H . . 3.000 2.641 2.580 2.685 . 0 0 "[ . 1 . 2 ]" 1
369 1 61 ALA H 1 64 ARG H . . 5.000 4.682 4.557 4.909 . 0 0 "[ . 1 . 2 ]" 1
370 1 61 ALA H 1 80 LEU MD1 . . 5.000 3.445 2.745 3.716 . 0 0 "[ . 1 . 2 ]" 1
371 1 61 ALA HA 1 62 GLY H . . 4.000 3.506 3.486 3.528 . 0 0 "[ . 1 . 2 ]" 1
372 1 61 ALA HA 1 64 ARG H . . 4.000 3.182 3.066 3.393 . 0 0 "[ . 1 . 2 ]" 1
373 1 61 ALA HA 1 64 ARG HB2 . . 4.500 2.743 2.487 3.237 . 0 0 "[ . 1 . 2 ]" 1
374 1 61 ALA HA 1 64 ARG HB3 . . 4.500 3.682 2.551 4.580 0.080 17 0 "[ . 1 . 2 ]" 1
375 1 61 ALA HA 1 65 ALA H . . 4.500 4.507 4.247 4.609 0.109 1 0 "[ . 1 . 2 ]" 1
376 1 61 ALA MB 1 62 GLY H . . 4.000 2.593 2.468 2.695 . 0 0 "[ . 1 . 2 ]" 1
377 1 62 GLY H 1 63 ILE H . . 3.000 2.611 2.487 2.687 . 0 0 "[ . 1 . 2 ]" 1
378 1 62 GLY H 1 65 ALA H . . 5.000 4.979 4.791 5.087 0.087 20 0 "[ . 1 . 2 ]" 1
379 1 62 GLY HA2 1 63 ILE H . . 4.000 3.491 3.483 3.512 . 0 0 "[ . 1 . 2 ]" 1
380 1 62 GLY HA2 1 65 ALA H . . 4.000 3.655 3.518 3.802 . 0 0 "[ . 1 . 2 ]" 1
381 1 62 GLY HA2 1 65 ALA MB . . 5.000 3.487 2.721 3.871 . 0 0 "[ . 1 . 2 ]" 1
382 1 62 GLY HA2 1 66 GLY H . . 5.000 4.203 3.651 4.511 . 0 0 "[ . 1 . 2 ]" 1
383 1 62 GLY HA3 1 63 ILE H . . 3.000 2.904 2.845 2.922 . 0 0 "[ . 1 . 2 ]" 1
384 1 62 GLY HA3 1 66 GLY H . . 5.000 4.911 4.373 5.177 0.177 19 0 "[ . 1 . 2 ]" 1
385 1 63 ILE H 1 64 ARG H . . 3.000 2.378 2.314 2.626 . 0 0 "[ . 1 . 2 ]" 1
386 1 63 ILE H 1 66 GLY H . . 5.000 4.228 4.027 4.439 . 0 0 "[ . 1 . 2 ]" 1
387 1 63 ILE H 1 76 ALA MB . . 5.000 4.160 3.814 4.335 . 0 0 "[ . 1 . 2 ]" 1
388 1 63 ILE HA 1 64 ARG H . . 4.000 3.496 3.476 3.539 . 0 0 "[ . 1 . 2 ]" 1
389 1 63 ILE HA 1 66 GLY H . . 4.000 2.787 2.622 3.124 . 0 0 "[ . 1 . 2 ]" 1
390 1 63 ILE HA 1 67 SER H . . 4.000 3.052 2.261 4.020 0.020 4 0 "[ . 1 . 2 ]" 1
391 1 63 ILE HB 1 64 ARG H . . 4.000 3.015 2.639 3.201 . 0 0 "[ . 1 . 2 ]" 1
392 1 63 ILE MG 1 73 ARG H . . 5.000 4.240 4.074 4.390 . 0 0 "[ . 1 . 2 ]" 1
393 1 63 ILE MG 1 76 ALA H . . 5.000 3.815 3.635 4.083 . 0 0 "[ . 1 . 2 ]" 1
394 1 63 ILE MG 1 76 ALA MB . . 5.500 2.146 1.875 2.373 . 0 0 "[ . 1 . 2 ]" 1
395 1 63 ILE MG 1 132 VAL MG2 . . 5.000 1.906 1.666 2.383 . 0 0 "[ . 1 . 2 ]" 1
396 1 64 ARG H 1 65 ALA H . . 3.000 2.655 2.519 2.724 . 0 0 "[ . 1 . 2 ]" 1
397 1 64 ARG H 1 73 ARG HA . . 5.000 4.241 3.905 4.472 . 0 0 "[ . 1 . 2 ]" 1
398 1 64 ARG H 1 76 ALA MB . . 4.500 3.204 2.599 3.434 . 0 0 "[ . 1 . 2 ]" 1
399 1 64 ARG H 1 80 LEU MD2 . . 5.000 4.186 3.560 4.346 . 0 0 "[ . 1 . 2 ]" 1
400 1 64 ARG HA 1 65 ALA H . . 4.000 3.467 3.454 3.500 . 0 0 "[ . 1 . 2 ]" 1
401 1 64 ARG HA 1 76 ALA H . . 5.000 4.963 4.440 5.173 0.173 17 0 "[ . 1 . 2 ]" 1
402 1 64 ARG HA 1 77 GLY H . . 5.000 4.731 3.885 5.079 0.079 19 0 "[ . 1 . 2 ]" 1
403 1 64 ARG HB2 1 65 ALA H . . 4.000 3.205 2.743 3.995 . 0 0 "[ . 1 . 2 ]" 1
404 1 64 ARG HB3 1 65 ALA H . . 4.000 3.543 2.867 3.996 . 0 0 "[ . 1 . 2 ]" 1
405 1 64 ARG HB3 1 76 ALA MB . . 5.500 4.017 3.368 4.305 . 0 0 "[ . 1 . 2 ]" 1
406 1 64 ARG HB3 1 77 GLY H . . 5.000 5.073 4.962 5.267 0.267 12 0 "[ . 1 . 2 ]" 1
407 1 64 ARG HD2 1 77 GLY H . . 5.000 3.362 2.751 4.602 . 0 0 "[ . 1 . 2 ]" 1
408 1 64 ARG HD3 1 77 GLY H . . 5.000 4.199 2.756 5.059 0.059 6 0 "[ . 1 . 2 ]" 1
409 1 64 ARG HG2 1 77 GLY H . . 5.000 3.553 2.722 5.093 0.093 5 0 "[ . 1 . 2 ]" 1
410 1 64 ARG HG3 1 65 ALA H . . 5.000 4.585 4.116 5.148 0.148 6 0 "[ . 1 . 2 ]" 1
411 1 64 ARG HG3 1 76 ALA MB . . 5.500 2.592 1.978 3.365 . 0 0 "[ . 1 . 2 ]" 1
412 1 65 ALA H 1 66 GLY H . . 3.000 1.957 1.805 2.274 . 0 0 "[ . 1 . 2 ]" 1
413 1 66 GLY H 1 67 SER H . . 3.000 2.138 1.831 2.717 . 0 0 "[ . 1 . 2 ]" 1
414 1 66 GLY H 1 132 VAL MG1 . . 5.500 4.757 4.684 4.872 . 0 0 "[ . 1 . 2 ]" 1
415 1 66 GLY HA2 1 67 SER H . . 4.000 3.374 3.067 3.557 . 0 0 "[ . 1 . 2 ]" 1
416 1 66 GLY HA3 1 67 SER H . . 3.500 3.061 2.612 3.413 . 0 0 "[ . 1 . 2 ]" 1
417 1 67 SER H 1 68 GLN H . . 5.000 4.535 4.317 4.638 . 0 0 "[ . 1 . 2 ]" 1
418 1 67 SER HA 1 68 GLN H . . 3.500 2.147 2.100 2.230 . 0 0 "[ . 1 . 2 ]" 1
419 1 67 SER HB2 1 68 GLN H . . 4.500 3.690 2.946 4.407 . 0 0 "[ . 1 . 2 ]" 1
420 1 67 SER HB2 1 73 ARG H . . 4.500 4.191 2.721 4.592 0.092 13 0 "[ . 1 . 2 ]" 1
421 1 67 SER HB3 1 68 GLN H . . 4.500 3.773 3.015 4.275 . 0 0 "[ . 1 . 2 ]" 1
422 1 67 SER HB3 1 73 ARG H . . 4.500 4.341 3.360 4.613 0.113 7 0 "[ . 1 . 2 ]" 1
423 1 68 GLN H 1 69 VAL H . . 3.000 2.627 2.499 2.949 . 0 0 "[ . 1 . 2 ]" 1
424 1 68 GLN H 1 135 GLU HG2 . . 5.000 4.259 2.337 5.030 0.030 18 0 "[ . 1 . 2 ]" 1
425 1 68 GLN H 1 135 GLU HG3 . . 5.000 4.630 3.590 5.040 0.040 8 0 "[ . 1 . 2 ]" 1
426 1 69 VAL H 1 70 GLU H . . 5.000 4.362 4.202 4.512 . 0 0 "[ . 1 . 2 ]" 1
427 1 69 VAL H 1 72 SER H . . 5.000 4.199 3.861 4.334 . 0 0 "[ . 1 . 2 ]" 1
428 1 69 VAL H 1 72 SER HB2 . . 5.000 3.249 2.727 4.893 . 0 0 "[ . 1 . 2 ]" 1
429 1 69 VAL H 1 72 SER HB3 . . 4.500 4.471 3.825 4.604 0.104 14 0 "[ . 1 . 2 ]" 1
430 1 69 VAL H 1 73 ARG H . . 5.000 4.849 4.506 5.087 0.087 5 0 "[ . 1 . 2 ]" 1
431 1 69 VAL HA 1 70 GLU H . . 3.500 2.141 2.095 2.186 . 0 0 "[ . 1 . 2 ]" 1
432 1 69 VAL HB 1 70 GLU H . . 5.000 4.146 3.930 4.509 . 0 0 "[ . 1 . 2 ]" 1
433 1 69 VAL HB 1 72 SER H . . 4.000 3.013 2.685 4.174 0.174 20 0 "[ . 1 . 2 ]" 1
434 1 69 VAL MG1 1 70 GLU H . . 5.000 2.582 2.343 3.519 . 0 0 "[ . 1 . 2 ]" 1
435 1 69 VAL MG1 1 72 SER H . . 4.000 2.317 1.689 2.972 . 0 0 "[ . 1 . 2 ]" 1
436 1 69 VAL MG2 1 70 GLU H . . 5.000 3.855 3.112 4.107 . 0 0 "[ . 1 . 2 ]" 1
437 1 70 GLU H 1 71 GLU H . . 3.000 2.555 2.519 2.724 . 0 0 "[ . 1 . 2 ]" 1
438 1 70 GLU HA 1 71 GLU H . . 4.000 3.454 3.438 3.481 . 0 0 "[ . 1 . 2 ]" 1
439 1 70 GLU HA 1 73 ARG H . . 3.500 3.232 3.120 3.368 . 0 0 "[ . 1 . 2 ]" 1
440 1 70 GLU HA 1 73 ARG HB2 . . 4.500 4.047 3.021 4.682 0.182 22 0 "[ . 1 . 2 ]" 1
441 1 70 GLU HA 1 73 ARG HB3 . . 4.500 3.254 2.589 4.452 . 0 0 "[ . 1 . 2 ]" 1
442 1 70 GLU HA 1 74 ILE H . . 4.500 4.047 3.760 4.340 . 0 0 "[ . 1 . 2 ]" 1
443 1 70 GLU HB2 1 71 GLU H . . 4.000 4.010 3.946 4.061 0.061 6 0 "[ . 1 . 2 ]" 1
444 1 70 GLU HB3 1 71 GLU H . . 4.000 3.951 2.837 4.056 0.056 5 0 "[ . 1 . 2 ]" 1
445 1 70 GLU HG2 1 71 GLU H . . 4.500 2.507 1.907 4.473 . 0 0 "[ . 1 . 2 ]" 1
446 1 70 GLU HG3 1 71 GLU H . . 4.000 3.244 1.939 4.004 0.004 18 0 "[ . 1 . 2 ]" 1
447 1 70 GLU O 1 74 ILE H . . 2.000 1.853 1.632 2.033 0.033 16 0 "[ . 1 . 2 ]" 1
448 1 70 GLU O 1 74 ILE N . . 3.000 2.798 2.557 2.978 . 0 0 "[ . 1 . 2 ]" 1
449 1 71 GLU H 1 72 SER H . . 3.000 2.620 2.514 2.678 . 0 0 "[ . 1 . 2 ]" 1
450 1 71 GLU H 1 74 ILE H . . 5.000 4.640 4.507 4.808 . 0 0 "[ . 1 . 2 ]" 1
451 1 71 GLU HA 1 72 SER H . . 4.000 3.497 3.477 3.519 . 0 0 "[ . 1 . 2 ]" 1
452 1 71 GLU HA 1 74 ILE H . . 3.500 3.343 3.211 3.496 . 0 0 "[ . 1 . 2 ]" 1
453 1 71 GLU HA 1 74 ILE HB . . 4.500 2.477 2.190 3.058 . 0 0 "[ . 1 . 2 ]" 1
454 1 71 GLU HA 1 75 GLN H . . 4.500 3.800 3.507 4.112 . 0 0 "[ . 1 . 2 ]" 1
455 1 71 GLU HB2 1 72 SER H . . 4.000 3.261 2.638 3.732 . 0 0 "[ . 1 . 2 ]" 1
456 1 71 GLU HB3 1 72 SER H . . 4.000 3.143 2.759 3.944 . 0 0 "[ . 1 . 2 ]" 1
457 1 72 SER H 1 73 ARG H . . 3.000 2.626 2.529 2.686 . 0 0 "[ . 1 . 2 ]" 1
458 1 72 SER H 1 75 GLN H . . 5.000 4.560 4.439 4.707 . 0 0 "[ . 1 . 2 ]" 1
459 1 72 SER HA 1 73 ARG H . . 4.000 3.528 3.523 3.532 . 0 0 "[ . 1 . 2 ]" 1
460 1 72 SER HA 1 75 GLN H . . 3.500 3.500 3.354 3.620 0.120 23 0 "[ . 1 . 2 ]" 1
461 1 72 SER HA 1 75 GLN HB2 . . 4.500 2.881 2.425 3.450 . 0 0 "[ . 1 . 2 ]" 1
462 1 72 SER HA 1 75 GLN HB3 . . 4.500 3.901 3.054 4.533 0.033 16 0 "[ . 1 . 2 ]" 1
463 1 72 SER HA 1 76 ALA H . . 4.500 3.721 3.365 4.113 . 0 0 "[ . 1 . 2 ]" 1
464 1 72 SER HB2 1 73 ARG H . . 4.000 2.835 2.521 3.804 . 0 0 "[ . 1 . 2 ]" 1
465 1 72 SER HB3 1 73 ARG H . . 4.000 3.195 2.939 3.616 . 0 0 "[ . 1 . 2 ]" 1
466 1 72 SER O 1 76 ALA H . . 2.000 1.730 1.458 2.026 0.026 4 0 "[ . 1 . 2 ]" 1
467 1 72 SER O 1 76 ALA N . . 3.000 2.705 2.422 3.013 0.013 4 0 "[ . 1 . 2 ]" 1
468 1 73 ARG H 1 74 ILE H . . 3.000 2.557 2.464 2.675 . 0 0 "[ . 1 . 2 ]" 1
469 1 73 ARG H 1 76 ALA H . . 5.000 4.566 4.420 4.723 . 0 0 "[ . 1 . 2 ]" 1
470 1 73 ARG H 1 77 GLY H . . 5.200 5.364 5.253 5.470 0.270 22 0 "[ . 1 . 2 ]" 1
471 1 73 ARG HA 1 74 ILE H . . 4.000 3.514 3.497 3.535 . 0 0 "[ . 1 . 2 ]" 1
472 1 73 ARG HA 1 76 ALA H . . 4.000 3.474 3.339 3.625 . 0 0 "[ . 1 . 2 ]" 1
473 1 73 ARG HA 1 76 ALA MB . . 4.500 2.533 2.384 2.756 . 0 0 "[ . 1 . 2 ]" 1
474 1 73 ARG HA 1 77 GLY H . . 5.000 3.260 3.140 3.396 . 0 0 "[ . 1 . 2 ]" 1
475 1 73 ARG HB2 1 74 ILE H . . 4.000 3.822 2.503 4.106 0.106 13 0 "[ . 1 . 2 ]" 1
476 1 73 ARG HB3 1 74 ILE H . . 4.000 3.158 2.447 3.977 . 0 0 "[ . 1 . 2 ]" 1
477 1 73 ARG HG3 1 74 ILE H . . 5.000 3.480 1.945 4.882 . 0 0 "[ . 1 . 2 ]" 1
478 1 73 ARG O 1 77 GLY H . . 2.000 1.581 1.499 1.728 . 0 0 "[ . 1 . 2 ]" 1
479 1 73 ARG O 1 77 GLY N . . 3.000 2.478 2.402 2.637 . 0 0 "[ . 1 . 2 ]" 1
480 1 74 ILE H 1 75 GLN H . . 3.000 2.570 2.511 2.611 . 0 0 "[ . 1 . 2 ]" 1
481 1 74 ILE HA 1 75 GLN H . . 4.000 3.510 3.497 3.519 . 0 0 "[ . 1 . 2 ]" 1
482 1 74 ILE HA 1 77 GLY H . . 4.000 3.664 3.569 3.809 . 0 0 "[ . 1 . 2 ]" 1
483 1 74 ILE HA 1 78 ARG H . . 4.500 3.579 3.310 3.765 . 0 0 "[ . 1 . 2 ]" 1
484 1 74 ILE HB 1 75 GLN H . . 3.500 2.940 2.749 3.439 . 0 0 "[ . 1 . 2 ]" 1
485 1 74 ILE MG 1 75 GLN H . . 4.000 2.780 2.004 3.109 . 0 0 "[ . 1 . 2 ]" 1
486 1 75 GLN H 1 76 ALA H . . 3.000 2.602 2.538 2.629 . 0 0 "[ . 1 . 2 ]" 1
487 1 75 GLN HA 1 76 ALA H . . 4.000 3.536 3.519 3.543 . 0 0 "[ . 1 . 2 ]" 1
488 1 75 GLN HA 1 78 ARG H . . 4.000 3.686 3.568 3.815 . 0 0 "[ . 1 . 2 ]" 1
489 1 75 GLN HA 1 78 ARG HB2 . . 4.500 3.023 2.650 3.710 . 0 0 "[ . 1 . 2 ]" 1
490 1 75 GLN HA 1 78 ARG HB3 . . 4.500 3.817 3.124 4.393 . 0 0 "[ . 1 . 2 ]" 1
491 1 75 GLN HA 1 79 LEU H . . 5.000 4.345 4.044 4.590 . 0 0 "[ . 1 . 2 ]" 1
492 1 75 GLN HB2 1 76 ALA H . . 3.500 2.885 2.451 3.532 0.032 4 0 "[ . 1 . 2 ]" 1
493 1 75 GLN HB3 1 76 ALA H . . 4.000 3.026 2.451 3.581 . 0 0 "[ . 1 . 2 ]" 1
494 1 75 GLN HE21 1 127 LEU HB3 . . 5.200 3.461 2.271 5.065 . 0 0 "[ . 1 . 2 ]" 1
495 1 75 GLN HE22 1 128 LEU HB3 . . 5.200 4.615 3.525 5.226 0.026 18 0 "[ . 1 . 2 ]" 1
496 1 75 GLN HG3 1 76 ALA H . . 5.000 4.707 4.199 5.077 0.077 22 0 "[ . 1 . 2 ]" 1
497 1 76 ALA H 1 77 GLY H . . 3.000 2.586 2.500 2.722 . 0 0 "[ . 1 . 2 ]" 1
498 1 76 ALA H 1 79 LEU H . . 5.000 4.725 4.588 4.841 . 0 0 "[ . 1 . 2 ]" 1
499 1 76 ALA H 1 128 LEU MD1 . . 5.000 3.620 2.668 4.062 . 0 0 "[ . 1 . 2 ]" 1
500 1 76 ALA HA 1 77 GLY H . . 4.000 3.530 3.516 3.542 . 0 0 "[ . 1 . 2 ]" 1
501 1 76 ALA HA 1 79 LEU H . . 4.000 3.442 3.395 3.500 . 0 0 "[ . 1 . 2 ]" 1
502 1 76 ALA HA 1 79 LEU HB2 . . 4.500 3.142 2.645 3.844 . 0 0 "[ . 1 . 2 ]" 1
503 1 76 ALA HA 1 79 LEU HB3 . . 4.500 3.274 2.702 4.032 . 0 0 "[ . 1 . 2 ]" 1
504 1 76 ALA HA 1 80 LEU H . . 5.000 3.992 3.827 4.127 . 0 0 "[ . 1 . 2 ]" 1
505 1 76 ALA MB 1 77 GLY H . . 3.500 2.445 2.347 2.543 . 0 0 "[ . 1 . 2 ]" 1
506 1 76 ALA MB 1 80 LEU H . . 5.000 4.385 4.307 4.452 . 0 0 "[ . 1 . 2 ]" 1
507 1 76 ALA O 1 80 LEU H . . 2.000 1.707 1.593 1.805 . 0 0 "[ . 1 . 2 ]" 1
508 1 76 ALA O 1 80 LEU N . . 3.000 2.652 2.514 2.756 . 0 0 "[ . 1 . 2 ]" 1
509 1 77 GLY H 1 78 ARG H . . 3.000 2.774 2.740 2.802 . 0 0 "[ . 1 . 2 ]" 1
510 1 77 GLY H 1 80 LEU MD2 . . 5.000 4.056 3.595 4.120 . 0 0 "[ . 1 . 2 ]" 1
511 1 77 GLY HA2 1 78 ARG H . . 4.000 3.548 3.540 3.551 . 0 0 "[ . 1 . 2 ]" 1
512 1 77 GLY HA2 1 80 LEU H . . 5.000 3.228 3.172 3.306 . 0 0 "[ . 1 . 2 ]" 1
513 1 77 GLY HA2 1 80 LEU HB2 . . 4.500 2.340 2.267 2.494 . 0 0 "[ . 1 . 2 ]" 1
514 1 77 GLY HA2 1 80 LEU HB3 . . 4.500 3.651 3.368 3.890 . 0 0 "[ . 1 . 2 ]" 1
515 1 77 GLY HA2 1 81 GLU H . . 5.000 4.181 4.020 4.384 . 0 0 "[ . 1 . 2 ]" 1
516 1 77 GLY HA3 1 78 ARG H . . 3.000 2.693 2.665 2.734 . 0 0 "[ . 1 . 2 ]" 1
517 1 77 GLY HA3 1 80 LEU H . . 4.500 4.399 4.366 4.459 . 0 0 "[ . 1 . 2 ]" 1
518 1 78 ARG H 1 79 LEU H . . 3.000 2.667 2.646 2.687 . 0 0 "[ . 1 . 2 ]" 1
519 1 78 ARG HA 1 79 LEU H . . 4.000 3.496 3.489 3.504 . 0 0 "[ . 1 . 2 ]" 1
520 1 78 ARG HA 1 81 GLU H . . 3.500 3.517 3.431 3.607 0.107 7 0 "[ . 1 . 2 ]" 1
521 1 78 ARG HA 1 81 GLU HB2 . . 4.500 3.195 2.784 4.689 0.189 13 0 "[ . 1 . 2 ]" 1
522 1 78 ARG HA 1 81 GLU HB3 . . 4.500 3.915 3.225 4.532 0.032 7 0 "[ . 1 . 2 ]" 1
523 1 78 ARG HA 1 82 ARG H . . 5.000 4.405 4.262 4.596 . 0 0 "[ . 1 . 2 ]" 1
524 1 78 ARG HB2 1 79 LEU H . . 4.000 3.276 2.802 3.906 . 0 0 "[ . 1 . 2 ]" 1
525 1 78 ARG HB3 1 79 LEU H . . 4.000 3.096 2.723 3.575 . 0 0 "[ . 1 . 2 ]" 1
526 1 78 ARG HG2 1 79 LEU H . . 5.000 4.798 4.322 5.000 0.000 11 0 "[ . 1 . 2 ]" 1
527 1 79 LEU H 1 80 LEU H . . 3.000 2.411 2.384 2.451 . 0 0 "[ . 1 . 2 ]" 1
528 1 79 LEU H 1 81 GLU H . . 4.000 3.642 3.597 3.716 . 0 0 "[ . 1 . 2 ]" 1
529 1 79 LEU H 1 82 ARG H . . 5.000 4.375 4.241 4.492 . 0 0 "[ . 1 . 2 ]" 1
530 1 79 LEU HA 1 80 LEU H . . 3.500 3.508 3.501 3.518 0.018 18 0 "[ . 1 . 2 ]" 1
531 1 79 LEU HA 1 81 GLU H . . 5.000 3.737 3.617 3.948 . 0 0 "[ . 1 . 2 ]" 1
532 1 79 LEU HA 1 82 ARG H . . 5.000 2.915 2.717 3.023 . 0 0 "[ . 1 . 2 ]" 1
533 1 79 LEU HB2 1 80 LEU H . . 4.000 3.499 2.892 3.942 . 0 0 "[ . 1 . 2 ]" 1
534 1 79 LEU HB3 1 80 LEU H . . 3.000 2.789 2.672 3.194 0.194 18 0 "[ . 1 . 2 ]" 1
535 1 79 LEU MD2 1 124 GLU H . . 5.000 4.212 3.987 4.456 . 0 0 "[ . 1 . 2 ]" 1
536 1 79 LEU MD2 1 125 VAL H . . 5.000 3.785 3.437 4.074 . 0 0 "[ . 1 . 2 ]" 1
537 1 79 LEU O 1 82 ARG H . . 2.000 2.082 1.936 2.142 0.142 22 0 "[ . 1 . 2 ]" 1
538 1 79 LEU O 1 82 ARG N . . 3.000 2.919 2.816 2.997 . 0 0 "[ . 1 . 2 ]" 1
539 1 80 LEU H 1 81 GLU H . . 3.000 2.517 2.478 2.559 . 0 0 "[ . 1 . 2 ]" 1
540 1 80 LEU H 1 89 LEU HB3 . . 5.000 4.895 4.543 5.133 0.133 23 0 "[ . 1 . 2 ]" 1
541 1 80 LEU HA 1 81 GLU H . . 4.000 3.405 3.392 3.456 . 0 0 "[ . 1 . 2 ]" 1
542 1 80 LEU HA 1 90 GLN H . . 3.500 3.627 3.521 3.745 0.245 19 0 "[ . 1 . 2 ]" 1
543 1 80 LEU HB2 1 81 GLU H . . 4.000 3.310 3.035 3.438 . 0 0 "[ . 1 . 2 ]" 1
544 1 80 LEU HB3 1 81 GLU H . . 3.500 3.652 3.562 3.717 0.217 12 0 "[ . 1 . 2 ]" 1
545 1 80 LEU MD1 1 90 GLN H . . 5.000 3.910 3.840 3.978 . 0 0 "[ . 1 . 2 ]" 1
546 1 81 GLU H 1 82 ARG H . . 3.000 2.062 1.909 2.205 . 0 0 "[ . 1 . 2 ]" 1
547 1 81 GLU H 1 89 LEU H . . 5.500 5.391 5.309 5.457 . 0 0 "[ . 1 . 2 ]" 1
548 1 81 GLU H 1 89 LEU HB3 . . 5.000 4.553 4.417 4.701 . 0 0 "[ . 1 . 2 ]" 1
549 1 82 ARG H 1 83 SER H . . 4.500 4.635 4.604 4.652 0.152 9 0 "[ . 1 . 2 ]" 1
550 1 82 ARG H 1 89 LEU H . . 4.500 3.955 3.720 4.177 . 0 0 "[ . 1 . 2 ]" 1
551 1 82 ARG H 1 89 LEU HB2 . . 4.500 4.117 3.745 4.542 0.042 22 0 "[ . 1 . 2 ]" 1
552 1 82 ARG H 1 89 LEU HB3 . . 4.000 3.486 3.409 3.593 . 0 0 "[ . 1 . 2 ]" 1
553 1 82 ARG H 1 89 LEU MD2 . . 5.000 3.921 3.693 3.994 . 0 0 "[ . 1 . 2 ]" 1
554 1 82 ARG H 1 90 GLN H . . 5.000 4.964 4.719 5.066 0.066 10 0 "[ . 1 . 2 ]" 1
555 1 82 ARG HA 1 83 SER H . . 3.000 2.216 2.146 2.282 . 0 0 "[ . 1 . 2 ]" 1
556 1 82 ARG HB2 1 83 SER H . . 4.500 4.024 3.899 4.093 . 0 0 "[ . 1 . 2 ]" 1
557 1 82 ARG HB3 1 83 SER H . . 4.500 3.796 3.570 4.081 . 0 0 "[ . 1 . 2 ]" 1
558 1 82 ARG HB3 1 89 LEU H . . 4.500 3.893 3.676 4.312 . 0 0 "[ . 1 . 2 ]" 1
559 1 82 ARG HD2 1 83 SER H . . 4.500 4.413 4.120 4.592 0.092 15 0 "[ . 1 . 2 ]" 1
560 1 82 ARG HD3 1 83 SER H . . 5.000 4.660 3.722 5.014 0.014 7 0 "[ . 1 . 2 ]" 1
561 1 82 ARG HG2 1 83 SER H . . 3.000 2.700 1.912 3.052 0.052 2 0 "[ . 1 . 2 ]" 1
562 1 82 ARG HG3 1 83 SER H . . 3.500 2.407 1.941 3.564 0.064 5 0 "[ . 1 . 2 ]" 1
563 1 83 SER H 1 84 ILE H . . 5.000 4.215 3.991 4.576 . 0 0 "[ . 1 . 2 ]" 1
564 1 83 SER HA 1 84 ILE H . . 3.000 2.150 2.102 2.218 . 0 0 "[ . 1 . 2 ]" 1
565 1 83 SER HA 1 86 GLY H . . 5.000 4.719 4.508 4.985 . 0 0 "[ . 1 . 2 ]" 1
566 1 83 SER HA 1 87 ILE H . . 4.500 4.325 4.128 4.621 0.121 2 0 "[ . 1 . 2 ]" 1
567 1 83 SER HA 1 88 ALA H . . 5.000 3.679 3.463 4.103 . 0 0 "[ . 1 . 2 ]" 1
568 1 83 SER HA 1 89 LEU H . . 4.500 3.181 3.115 3.271 . 0 0 "[ . 1 . 2 ]" 1
569 1 83 SER HB2 1 84 ILE H . . 4.500 3.970 3.483 4.130 . 0 0 "[ . 1 . 2 ]" 1
570 1 83 SER HB2 1 86 GLY H . . 5.000 3.557 3.266 3.910 . 0 0 "[ . 1 . 2 ]" 1
571 1 83 SER HB3 1 84 ILE H . . 4.500 3.977 3.465 4.234 . 0 0 "[ . 1 . 2 ]" 1
572 1 83 SER HB3 1 86 GLY H . . 4.500 4.651 4.616 4.711 0.211 9 0 "[ . 1 . 2 ]" 1
573 1 83 SER HB3 1 89 LEU H . . 5.500 5.250 5.114 5.415 . 0 0 "[ . 1 . 2 ]" 1
574 1 84 ILE H 1 85 GLY H . . 4.500 4.542 4.371 4.595 0.095 10 0 "[ . 1 . 2 ]" 1
575 1 84 ILE H 1 87 ILE H . . 3.500 3.494 2.940 3.712 0.212 13 0 "[ . 1 . 2 ]" 1
576 1 84 ILE H 1 88 ALA H . . 5.000 4.316 3.985 4.492 . 0 0 "[ . 1 . 2 ]" 1
577 1 84 ILE H 1 88 ALA HA . . 4.000 3.000 2.852 3.112 . 0 0 "[ . 1 . 2 ]" 1
578 1 84 ILE H 1 89 LEU H . . 4.500 3.174 2.936 3.569 . 0 0 "[ . 1 . 2 ]" 1
579 1 84 ILE H 1 89 LEU HA . . 5.000 3.372 3.097 4.025 . 0 0 "[ . 1 . 2 ]" 1
580 1 84 ILE H 1 92 TRP HD1 . . 5.000 3.171 2.883 3.698 . 0 0 "[ . 1 . 2 ]" 1
581 1 84 ILE H 1 92 TRP HE1 . . 4.500 3.298 3.060 3.471 . 0 0 "[ . 1 . 2 ]" 1
582 1 84 ILE HA 1 85 GLY H . . 3.000 2.150 2.121 2.177 . 0 0 "[ . 1 . 2 ]" 1
583 1 84 ILE HA 1 87 ILE H . . 5.000 4.188 4.146 4.239 . 0 0 "[ . 1 . 2 ]" 1
584 1 84 ILE HB 1 87 ILE H . . 4.500 4.270 4.115 4.444 . 0 0 "[ . 1 . 2 ]" 1
585 1 84 ILE HB 1 118 LEU MD2 . . 5.500 4.181 3.836 4.548 . 0 0 "[ . 1 . 2 ]" 1
586 1 84 ILE MD 1 85 GLY H . . 5.000 3.630 3.102 4.467 . 0 0 "[ . 1 . 2 ]" 1
587 1 84 ILE MD 1 92 TRP HD1 . . 5.500 4.102 3.283 4.629 . 0 0 "[ . 1 . 2 ]" 1
588 1 84 ILE MD 1 92 TRP HE1 . . 5.200 4.652 4.469 4.807 . 0 0 "[ . 1 . 2 ]" 1
589 1 84 ILE MD 1 118 LEU MD2 . . 5.500 3.757 2.627 4.169 . 0 0 "[ . 1 . 2 ]" 1
590 1 84 ILE MG 1 85 GLY H . . 5.000 2.475 2.374 2.599 . 0 0 "[ . 1 . 2 ]" 1
591 1 84 ILE MG 1 92 TRP HE1 . . 5.500 2.574 2.364 2.821 . 0 0 "[ . 1 . 2 ]" 1
592 1 84 ILE MG 1 92 TRP HZ2 . . 5.500 3.540 3.374 3.777 . 0 0 "[ . 1 . 2 ]" 1
593 1 84 ILE MG 1 114 ILE MD . . 5.500 3.226 2.272 3.574 . 0 0 "[ . 1 . 2 ]" 1
594 1 84 ILE MG 1 114 ILE MG . . 5.500 2.597 2.226 2.911 . 0 0 "[ . 1 . 2 ]" 1
595 1 84 ILE MG 1 118 LEU H . . 5.000 4.167 3.985 4.280 . 0 0 "[ . 1 . 2 ]" 1
596 1 84 ILE MG 1 118 LEU MD2 . . 5.500 2.237 1.752 2.577 . 0 0 "[ . 1 . 2 ]" 1
597 1 85 GLY H 1 86 GLY H . . 3.000 2.782 2.759 2.795 . 0 0 "[ . 1 . 2 ]" 1
598 1 85 GLY H 1 92 TRP HD1 . . 5.500 5.531 5.386 5.716 0.216 12 0 "[ . 1 . 2 ]" 1
599 1 85 GLY H 1 92 TRP HE1 . . 5.200 4.094 3.922 4.254 . 0 0 "[ . 1 . 2 ]" 1
600 1 85 GLY H 1 114 ILE HA . . 5.000 4.067 3.586 4.501 . 0 0 "[ . 1 . 2 ]" 1
601 1 85 GLY H 1 114 ILE MG . . 5.000 4.073 3.902 4.282 . 0 0 "[ . 1 . 2 ]" 1
602 1 85 GLY H 1 117 GLN HE21 . . 4.500 4.065 3.498 4.557 0.057 7 0 "[ . 1 . 2 ]" 1
603 1 85 GLY H 1 117 GLN HE22 . . 5.000 4.262 2.847 5.130 0.130 10 0 "[ . 1 . 2 ]" 1
604 1 85 GLY HA2 1 114 ILE MD . . 5.500 2.180 1.709 3.124 . 0 0 "[ . 1 . 2 ]" 1
605 1 85 GLY HA2 1 114 ILE MG . . 5.500 4.047 3.599 4.468 . 0 0 "[ . 1 . 2 ]" 1
606 1 86 GLY H 1 87 ILE H . . 4.000 2.377 2.348 2.418 . 0 0 "[ . 1 . 2 ]" 1
607 1 86 GLY HA2 1 87 ILE H . . 4.000 3.297 3.284 3.308 . 0 0 "[ . 1 . 2 ]" 1
608 1 86 GLY HA3 1 87 ILE H . . 4.000 3.220 3.207 3.234 . 0 0 "[ . 1 . 2 ]" 1
609 1 87 ILE H 1 88 ALA H . . 5.000 4.404 4.291 4.456 . 0 0 "[ . 1 . 2 ]" 1
610 1 87 ILE H 1 92 TRP HD1 . . 5.000 4.431 4.279 4.601 . 0 0 "[ . 1 . 2 ]" 1
611 1 87 ILE H 1 92 TRP HE1 . . 3.500 2.182 2.021 2.350 . 0 0 "[ . 1 . 2 ]" 1
612 1 87 ILE H 1 99 ALA MB . . 5.500 4.789 4.712 4.938 . 0 0 "[ . 1 . 2 ]" 1
613 1 87 ILE H 1 102 LEU MD2 . . 5.000 3.323 3.091 3.880 . 0 0 "[ . 1 . 2 ]" 1
614 1 87 ILE HA 1 88 ALA H . . 3.000 2.147 2.087 2.241 . 0 0 "[ . 1 . 2 ]" 1
615 1 87 ILE HB 1 88 ALA H . . 4.500 4.246 4.133 4.361 . 0 0 "[ . 1 . 2 ]" 1
616 1 87 ILE HB 1 92 TRP HE1 . . 5.200 2.437 1.920 2.982 . 0 0 "[ . 1 . 2 ]" 1
617 1 87 ILE MD 1 88 ALA H . . 5.000 3.829 3.423 4.229 . 0 0 "[ . 1 . 2 ]" 1
618 1 87 ILE MD 1 92 TRP HE1 . . 5.500 4.568 4.380 4.677 . 0 0 "[ . 1 . 2 ]" 1
619 1 87 ILE MD 1 92 TRP HZ2 . . 5.500 4.540 4.058 4.825 . 0 0 "[ . 1 . 2 ]" 1
620 1 87 ILE MD 1 98 ALA MB . . 5.500 1.910 1.523 2.308 . 0 0 "[ . 1 . 2 ]" 1
621 1 87 ILE MD 1 99 ALA H . . 5.000 3.886 3.093 4.345 . 0 0 "[ . 1 . 2 ]" 1
622 1 87 ILE MD 1 99 ALA HA . . 5.500 3.366 3.127 3.749 . 0 0 "[ . 1 . 2 ]" 1
623 1 87 ILE MD 1 102 LEU H . . 5.000 4.074 3.955 4.197 . 0 0 "[ . 1 . 2 ]" 1
624 1 87 ILE MD 1 102 LEU MD2 . . 5.500 2.559 1.366 3.642 . 0 0 "[ . 1 . 2 ]" 1
625 1 87 ILE QG 1 88 ALA H . . 5.000 3.708 2.703 4.638 . 0 0 "[ . 1 . 2 ]" 1
626 1 87 ILE QG 1 92 TRP HE1 . . 5.200 4.094 3.465 4.738 . 0 0 "[ . 1 . 2 ]" 1
627 1 87 ILE MG 1 88 ALA H . . 4.500 2.678 2.419 2.932 . 0 0 "[ . 1 . 2 ]" 1
628 1 87 ILE MG 1 91 GLN H . . 5.000 3.597 3.446 3.764 . 0 0 "[ . 1 . 2 ]" 1
629 1 87 ILE MG 1 92 TRP H . . 4.500 3.417 3.229 3.618 . 0 0 "[ . 1 . 2 ]" 1
630 1 87 ILE MG 1 92 TRP HE1 . . 5.200 2.701 1.690 3.473 . 0 0 "[ . 1 . 2 ]" 1
631 1 87 ILE MG 1 98 ALA MB . . 5.500 2.438 1.575 3.363 . 0 0 "[ . 1 . 2 ]" 1
632 1 87 ILE MG 1 99 ALA H . . 5.000 1.994 1.577 2.629 . 0 0 "[ . 1 . 2 ]" 1
633 1 87 ILE MG 1 99 ALA MB . . 5.500 1.572 1.265 1.979 . 0 0 "[ . 1 . 2 ]" 1
634 1 88 ALA H 1 89 LEU H . . 5.000 4.622 4.606 4.642 . 0 0 "[ . 1 . 2 ]" 1
635 1 88 ALA H 1 91 GLN HG2 . . 4.000 3.790 3.335 4.079 0.079 13 0 "[ . 1 . 2 ]" 1
636 1 88 ALA H 1 91 GLN HG3 . . 4.500 2.809 2.444 3.315 . 0 0 "[ . 1 . 2 ]" 1
637 1 88 ALA H 1 92 TRP HD1 . . 5.000 5.136 5.022 5.281 0.281 7 0 "[ . 1 . 2 ]" 1
638 1 88 ALA H 1 92 TRP HE1 . . 5.000 4.901 4.687 5.106 0.106 11 0 "[ . 1 . 2 ]" 1
639 1 88 ALA HA 1 89 LEU H . . 3.000 2.189 2.165 2.228 . 0 0 "[ . 1 . 2 ]" 1
640 1 88 ALA MB 1 89 LEU H . . 3.500 2.845 2.736 2.916 . 0 0 "[ . 1 . 2 ]" 1
641 1 88 ALA MB 1 91 GLN H . . 4.500 2.932 2.787 3.076 . 0 0 "[ . 1 . 2 ]" 1
642 1 88 ALA O 1 91 GLN H . . 2.000 1.996 1.893 2.109 0.109 3 0 "[ . 1 . 2 ]" 1
643 1 88 ALA O 1 91 GLN N . . 3.000 2.847 2.744 2.944 . 0 0 "[ . 1 . 2 ]" 1
644 1 89 LEU H 1 90 GLN H . . 3.000 2.681 2.613 2.727 . 0 0 "[ . 1 . 2 ]" 1
645 1 89 LEU H 1 92 TRP HD1 . . 4.500 4.174 4.077 4.278 . 0 0 "[ . 1 . 2 ]" 1
646 1 89 LEU HA 1 90 GLN H . . 4.000 3.524 3.506 3.533 . 0 0 "[ . 1 . 2 ]" 1
647 1 89 LEU HA 1 92 TRP H . . 4.000 3.015 2.859 3.106 . 0 0 "[ . 1 . 2 ]" 1
648 1 89 LEU HA 1 92 TRP HB2 . . 4.500 2.972 2.739 3.077 . 0 0 "[ . 1 . 2 ]" 1
649 1 89 LEU HA 1 92 TRP HB3 . . 4.500 4.643 4.449 4.745 0.245 19 0 "[ . 1 . 2 ]" 1
650 1 89 LEU HB2 1 90 GLN H . . 4.000 3.912 3.812 4.034 0.034 18 0 "[ . 1 . 2 ]" 1
651 1 89 LEU HB3 1 90 GLN H . . 3.000 2.605 2.523 2.737 . 0 0 "[ . 1 . 2 ]" 1
652 1 89 LEU MD1 1 118 LEU MD2 . . 5.000 3.084 2.896 3.426 . 0 0 "[ . 1 . 2 ]" 1
653 1 90 GLN H 1 91 GLN H . . 3.500 2.693 2.662 2.713 . 0 0 "[ . 1 . 2 ]" 1
654 1 90 GLN HA 1 91 GLN H . . 4.000 3.375 3.358 3.408 . 0 0 "[ . 1 . 2 ]" 1
655 1 90 GLN HA 1 93 GLY H . . 4.500 3.822 3.461 4.664 0.164 1 0 "[ . 1 . 2 ]" 1
656 1 90 GLN HB2 1 91 GLN H . . 4.000 3.607 3.321 4.149 0.149 5 0 "[ . 1 . 2 ]" 1
657 1 90 GLN HB3 1 91 GLN H . . 4.000 3.649 3.319 4.112 0.112 5 0 "[ . 1 . 2 ]" 1
658 1 91 GLN H 1 92 TRP H . . 3.000 2.326 2.287 2.429 . 0 0 "[ . 1 . 2 ]" 1
659 1 91 GLN H 1 92 TRP HD1 . . 5.000 3.883 3.784 4.160 . 0 0 "[ . 1 . 2 ]" 1
660 1 91 GLN H 1 92 TRP HE1 . . 5.500 5.857 5.706 6.028 0.528 14 1 "[ . 1 +. 2 ]" 1
661 1 91 GLN HA 1 92 TRP H . . 4.000 3.509 3.495 3.516 . 0 0 "[ . 1 . 2 ]" 1
662 1 91 GLN HA 1 93 GLY H . . 4.500 3.372 3.161 3.549 . 0 0 "[ . 1 . 2 ]" 1
663 1 91 GLN HB2 1 92 TRP H . . 4.000 2.666 2.610 2.747 . 0 0 "[ . 1 . 2 ]" 1
664 1 91 GLN HB3 1 92 TRP H . . 4.000 3.836 3.732 3.977 . 0 0 "[ . 1 . 2 ]" 1
665 1 91 GLN HG2 1 92 TRP H . . 5.000 4.035 3.745 4.255 . 0 0 "[ . 1 . 2 ]" 1
666 1 91 GLN HG3 1 92 TRP H . . 5.000 4.688 4.148 4.940 . 0 0 "[ . 1 . 2 ]" 1
667 1 91 GLN O 1 94 THR H . . 2.000 2.129 2.026 2.240 0.240 1 0 "[ . 1 . 2 ]" 1
668 1 91 GLN O 1 94 THR N . . 3.000 3.006 2.891 3.122 0.122 1 0 "[ . 1 . 2 ]" 1
669 1 92 TRP H 1 93 GLY H . . 3.000 2.617 2.432 3.089 0.089 1 0 "[ . 1 . 2 ]" 1
670 1 92 TRP H 1 99 ALA MB . . 5.000 3.256 3.077 3.660 . 0 0 "[ . 1 . 2 ]" 1
671 1 92 TRP HA 1 93 GLY H . . 4.000 3.174 2.800 3.330 . 0 0 "[ . 1 . 2 ]" 1
672 1 92 TRP HA 1 99 ALA MB . . 5.500 2.428 2.134 2.789 . 0 0 "[ . 1 . 2 ]" 1
673 1 92 TRP HB2 1 93 GLY H . . 4.000 3.627 3.343 4.203 0.203 1 0 "[ . 1 . 2 ]" 1
674 1 92 TRP HB2 1 117 GLN HE21 . . 5.500 5.490 5.277 5.663 0.163 1 0 "[ . 1 . 2 ]" 1
675 1 92 TRP HB2 1 118 LEU MD1 . . 5.500 4.673 4.532 4.878 . 0 0 "[ . 1 . 2 ]" 1
676 1 92 TRP HB3 1 93 GLY H . . 4.500 4.274 4.164 4.492 . 0 0 "[ . 1 . 2 ]" 1
677 1 92 TRP HB3 1 99 ALA MB . . 5.500 3.786 3.514 4.099 . 0 0 "[ . 1 . 2 ]" 1
678 1 92 TRP HB3 1 117 GLN HE21 . . 5.500 5.422 5.169 5.658 0.158 4 0 "[ . 1 . 2 ]" 1
679 1 92 TRP HE1 1 99 ALA MB . . 5.500 3.486 3.340 3.669 . 0 0 "[ . 1 . 2 ]" 1
680 1 92 TRP HE1 1 114 ILE MG . . 5.500 4.459 4.259 4.615 . 0 0 "[ . 1 . 2 ]" 1
681 1 92 TRP HE3 1 99 ALA MB . . 5.500 2.947 2.607 3.289 . 0 0 "[ . 1 . 2 ]" 1
682 1 92 TRP HH2 1 103 VAL QG . . 5.500 3.597 3.224 4.054 . 0 0 "[ . 1 . 2 ]" 1
683 1 92 TRP HH2 1 114 ILE MD . . 5.500 2.516 1.558 3.698 . 0 0 "[ . 1 . 2 ]" 1
684 1 92 TRP HH2 1 114 ILE MG . . 5.500 2.734 2.189 3.853 . 0 0 "[ . 1 . 2 ]" 1
685 1 92 TRP HZ2 1 114 ILE MD . . 5.500 2.433 1.995 3.413 . 0 0 "[ . 1 . 2 ]" 1
686 1 92 TRP HZ2 1 114 ILE MG . . 5.500 3.436 3.117 4.135 . 0 0 "[ . 1 . 2 ]" 1
687 1 92 TRP HZ3 1 99 ALA MB . . 5.500 3.575 3.201 4.012 . 0 0 "[ . 1 . 2 ]" 1
688 1 92 TRP HZ3 1 103 VAL QG . . 5.500 3.075 2.717 3.576 . 0 0 "[ . 1 . 2 ]" 1
689 1 92 TRP HZ3 1 114 ILE MG . . 5.500 2.530 2.201 3.535 . 0 0 "[ . 1 . 2 ]" 1
690 1 93 GLY H 1 99 ALA MB . . 5.000 4.345 4.089 4.473 . 0 0 "[ . 1 . 2 ]" 1
691 1 93 GLY HA2 1 94 THR H . . 3.000 3.083 3.050 3.129 0.129 11 0 "[ . 1 . 2 ]" 1
692 1 93 GLY HA3 1 94 THR H . . 3.500 3.401 3.371 3.423 . 0 0 "[ . 1 . 2 ]" 1
693 1 94 THR H 1 99 ALA MB . . 5.000 4.328 4.219 4.482 . 0 0 "[ . 1 . 2 ]" 1
694 1 94 THR HA 1 95 THR H . . 4.500 2.319 2.178 2.450 . 0 0 "[ . 1 . 2 ]" 1
695 1 94 THR MG 1 95 THR H . . 4.500 2.527 1.726 3.641 . 0 0 "[ . 1 . 2 ]" 1
696 1 94 THR MG 1 97 GLY H . . 5.000 3.420 2.822 3.918 . 0 0 "[ . 1 . 2 ]" 1
697 1 95 THR H 1 96 GLY H . . 5.000 4.489 4.399 4.600 . 0 0 "[ . 1 . 2 ]" 1
698 1 95 THR HA 1 97 GLY H . . 4.000 3.171 3.012 3.439 . 0 0 "[ . 1 . 2 ]" 1
699 1 96 GLY H 1 97 GLY H . . 3.000 2.196 2.035 2.458 . 0 0 "[ . 1 . 2 ]" 1
700 1 96 GLY H 1 100 SER H . . 5.000 4.410 4.061 4.770 . 0 0 "[ . 1 . 2 ]" 1
701 1 96 GLY H 1 100 SER HB2 . . 4.000 2.565 2.027 3.197 . 0 0 "[ . 1 . 2 ]" 1
702 1 96 GLY H 1 100 SER HB3 . . 4.000 3.125 2.526 3.754 . 0 0 "[ . 1 . 2 ]" 1
703 1 96 GLY HA2 1 97 GLY H . . 4.000 3.160 3.047 3.208 . 0 0 "[ . 1 . 2 ]" 1
704 1 96 GLY HA3 1 97 GLY H . . 4.000 3.345 3.308 3.422 . 0 0 "[ . 1 . 2 ]" 1
705 1 97 GLY H 1 98 ALA H . . 5.000 4.384 4.268 4.524 . 0 0 "[ . 1 . 2 ]" 1
706 1 97 GLY H 1 100 SER H . . 3.500 3.492 3.222 3.632 0.132 2 0 "[ . 1 . 2 ]" 1
707 1 97 GLY H 1 100 SER HB3 . . 4.000 3.472 2.919 4.005 0.005 16 0 "[ . 1 . 2 ]" 1
708 1 97 GLY H 1 101 GLN H . . 5.000 4.868 4.501 5.072 0.072 1 0 "[ . 1 . 2 ]" 1
709 1 98 ALA H 1 99 ALA H . . 3.500 2.398 2.286 2.616 . 0 0 "[ . 1 . 2 ]" 1
710 1 98 ALA HA 1 99 ALA H . . 4.000 3.496 3.471 3.522 . 0 0 "[ . 1 . 2 ]" 1
711 1 98 ALA HA 1 101 GLN H . . 4.000 3.216 3.128 3.297 . 0 0 "[ . 1 . 2 ]" 1
712 1 98 ALA HA 1 101 GLN HB2 . . 4.500 3.296 2.584 4.575 0.075 1 0 "[ . 1 . 2 ]" 1
713 1 98 ALA HA 1 101 GLN HB3 . . 4.500 3.067 2.564 4.362 . 0 0 "[ . 1 . 2 ]" 1
714 1 98 ALA HA 1 102 LEU H . . 4.500 3.977 3.774 4.140 . 0 0 "[ . 1 . 2 ]" 1
715 1 98 ALA MB 1 99 ALA H . . 3.500 2.645 2.500 2.753 . 0 0 "[ . 1 . 2 ]" 1
716 1 98 ALA MB 1 102 LEU H . . 5.000 4.249 4.163 4.332 . 0 0 "[ . 1 . 2 ]" 1
717 1 98 ALA O 1 102 LEU H . . 2.000 1.690 1.551 1.792 . 0 0 "[ . 1 . 2 ]" 1
718 1 98 ALA O 1 102 LEU N . . 3.000 2.622 2.452 2.749 . 0 0 "[ . 1 . 2 ]" 1
719 1 99 ALA H 1 100 SER H . . 3.000 2.746 2.704 2.773 . 0 0 "[ . 1 . 2 ]" 1
720 1 99 ALA HA 1 100 SER H . . 4.000 3.534 3.518 3.540 . 0 0 "[ . 1 . 2 ]" 1
721 1 99 ALA HA 1 102 LEU H . . 3.500 3.255 3.206 3.312 . 0 0 "[ . 1 . 2 ]" 1
722 1 99 ALA HA 1 102 LEU HB2 . . 4.500 2.726 2.412 3.262 . 0 0 "[ . 1 . 2 ]" 1
723 1 99 ALA HA 1 102 LEU HB3 . . 4.500 2.924 2.260 3.455 . 0 0 "[ . 1 . 2 ]" 1
724 1 99 ALA HA 1 103 VAL H . . 4.500 3.906 3.790 4.042 . 0 0 "[ . 1 . 2 ]" 1
725 1 99 ALA MB 1 100 SER H . . 4.000 2.423 2.373 2.530 . 0 0 "[ . 1 . 2 ]" 1
726 1 99 ALA MB 1 102 LEU H . . 5.000 4.442 4.415 4.471 . 0 0 "[ . 1 . 2 ]" 1
727 1 99 ALA MB 1 103 VAL H . . 5.000 4.452 4.377 4.540 . 0 0 "[ . 1 . 2 ]" 1
728 1 99 ALA O 1 103 VAL H . . 2.000 1.822 1.723 1.913 . 0 0 "[ . 1 . 2 ]" 1
729 1 99 ALA O 1 103 VAL N . . 3.000 2.814 2.716 2.903 . 0 0 "[ . 1 . 2 ]" 1
730 1 100 SER H 1 101 GLN H . . 3.000 2.700 2.642 2.741 . 0 0 "[ . 1 . 2 ]" 1
731 1 100 SER HA 1 101 GLN H . . 4.000 3.520 3.501 3.535 . 0 0 "[ . 1 . 2 ]" 1
732 1 100 SER HA 1 103 VAL H . . 4.000 3.622 3.574 3.662 . 0 0 "[ . 1 . 2 ]" 1
733 1 100 SER HA 1 103 VAL HB . . 4.500 4.137 3.938 4.292 . 0 0 "[ . 1 . 2 ]" 1
734 1 100 SER HA 1 104 LEU H . . 4.500 4.250 4.004 4.385 . 0 0 "[ . 1 . 2 ]" 1
735 1 100 SER HB2 1 101 GLN H . . 4.000 3.562 2.754 3.882 . 0 0 "[ . 1 . 2 ]" 1
736 1 100 SER HB3 1 101 GLN H . . 4.000 2.724 2.460 3.832 . 0 0 "[ . 1 . 2 ]" 1
737 1 101 GLN H 1 102 LEU H . . 3.000 2.511 2.476 2.533 . 0 0 "[ . 1 . 2 ]" 1
738 1 101 GLN HA 1 102 LEU H . . 4.000 3.503 3.487 3.517 . 0 0 "[ . 1 . 2 ]" 1
739 1 101 GLN HA 1 104 LEU H . . 4.000 3.173 3.105 3.269 . 0 0 "[ . 1 . 2 ]" 1
740 1 101 GLN HA 1 104 LEU HB2 . . 4.500 2.061 1.978 2.386 . 0 0 "[ . 1 . 2 ]" 1
741 1 101 GLN HA 1 104 LEU HB3 . . 4.500 3.041 2.687 3.593 . 0 0 "[ . 1 . 2 ]" 1
742 1 101 GLN HA 1 105 ASP H . . 4.500 4.567 4.458 4.743 0.243 18 0 "[ . 1 . 2 ]" 1
743 1 101 GLN HB2 1 102 LEU H . . 4.000 3.665 2.684 4.097 0.097 1 0 "[ . 1 . 2 ]" 1
744 1 101 GLN HB3 1 102 LEU H . . 4.000 2.910 2.621 3.780 . 0 0 "[ . 1 . 2 ]" 1
745 1 101 GLN HG2 1 102 LEU H . . 4.500 4.185 3.714 4.423 . 0 0 "[ . 1 . 2 ]" 1
746 1 101 GLN HG3 1 102 LEU H . . 5.000 4.545 2.012 4.910 . 0 0 "[ . 1 . 2 ]" 1
747 1 102 LEU H 1 103 VAL H . . 3.000 2.687 2.620 2.725 . 0 0 "[ . 1 . 2 ]" 1
748 1 102 LEU HA 1 103 VAL H . . 4.000 3.529 3.526 3.532 . 0 0 "[ . 1 . 2 ]" 1
749 1 102 LEU HA 1 105 ASP H . . 4.000 3.650 3.463 3.786 . 0 0 "[ . 1 . 2 ]" 1
750 1 102 LEU HA 1 105 ASP HB2 . . 4.500 4.104 3.004 4.538 0.038 12 0 "[ . 1 . 2 ]" 1
751 1 102 LEU HA 1 105 ASP HB3 . . 4.500 3.939 3.070 4.548 0.048 20 0 "[ . 1 . 2 ]" 1
752 1 102 LEU HA 1 106 ALA H . . 5.000 4.637 4.124 4.962 . 0 0 "[ . 1 . 2 ]" 1
753 1 102 LEU HB2 1 103 VAL H . . 4.000 3.472 3.115 3.892 . 0 0 "[ . 1 . 2 ]" 1
754 1 102 LEU HB3 1 103 VAL H . . 4.000 2.616 2.498 2.824 . 0 0 "[ . 1 . 2 ]" 1
755 1 103 VAL H 1 104 LEU H . . 3.000 2.472 2.406 2.564 . 0 0 "[ . 1 . 2 ]" 1
756 1 103 VAL HA 1 104 LEU H . . 4.000 3.447 3.426 3.488 . 0 0 "[ . 1 . 2 ]" 1
757 1 103 VAL HA 1 106 ALA H . . 3.500 3.612 3.534 3.699 0.199 18 0 "[ . 1 . 2 ]" 1
758 1 103 VAL HA 1 106 ALA MB . . 4.500 3.700 3.445 3.847 . 0 0 "[ . 1 . 2 ]" 1
759 1 103 VAL HB 1 104 LEU H . . 4.000 4.042 3.968 4.125 0.125 10 0 "[ . 1 . 2 ]" 1
760 1 103 VAL QG 1 104 LEU H . . 5.000 2.337 2.149 2.426 . 0 0 "[ . 1 . 2 ]" 1
761 1 104 LEU H 1 105 ASP H . . 3.000 2.700 2.556 2.799 . 0 0 "[ . 1 . 2 ]" 1
762 1 104 LEU HA 1 105 ASP H . . 4.000 3.496 3.426 3.533 . 0 0 "[ . 1 . 2 ]" 1
763 1 104 LEU HB2 1 105 ASP H . . 4.000 3.477 2.925 3.778 . 0 0 "[ . 1 . 2 ]" 1
764 1 104 LEU HB3 1 105 ASP H . . 4.000 2.869 2.508 3.424 . 0 0 "[ . 1 . 2 ]" 1
765 1 105 ASP H 1 106 ALA H . . 3.000 2.881 2.708 2.983 . 0 0 "[ . 1 . 2 ]" 1
766 1 105 ASP HA 1 106 ALA H . . 3.500 3.543 3.529 3.551 0.051 10 0 "[ . 1 . 2 ]" 1
767 1 105 ASP HB2 1 106 ALA H . . 4.000 3.269 2.486 3.508 . 0 0 "[ . 1 . 2 ]" 1
768 1 105 ASP HB3 1 106 ALA H . . 4.500 1.928 1.845 2.004 . 0 0 "[ . 1 . 2 ]" 1
769 1 106 ALA H 1 107 SER H . . 5.000 4.548 4.462 4.627 . 0 0 "[ . 1 . 2 ]" 1
770 1 106 ALA HA 1 107 SER H . . 4.000 2.152 2.108 2.233 . 0 0 "[ . 1 . 2 ]" 1
771 1 106 ALA HA 1 109 GLU HB2 . . 4.500 4.494 4.100 4.707 0.207 6 0 "[ . 1 . 2 ]" 1
772 1 106 ALA HA 1 109 GLU HB3 . . 4.500 4.490 4.140 4.665 0.165 15 0 "[ . 1 . 2 ]" 1
773 1 106 ALA MB 1 107 SER H . . 4.500 2.972 2.725 3.162 . 0 0 "[ . 1 . 2 ]" 1
774 1 106 ALA MB 1 110 LEU H . . 5.000 2.064 1.984 2.204 . 0 0 "[ . 1 . 2 ]" 1
775 1 106 ALA MB 1 111 ARG H . . 5.000 4.088 4.008 4.205 . 0 0 "[ . 1 . 2 ]" 1
776 1 107 SER H 1 109 GLU H . . 5.000 3.019 2.740 3.172 . 0 0 "[ . 1 . 2 ]" 1
777 1 107 SER H 1 111 ARG H . . 5.000 4.635 4.444 4.913 . 0 0 "[ . 1 . 2 ]" 1
778 1 107 SER HA 1 109 GLU H . . 5.000 4.755 4.687 4.807 . 0 0 "[ . 1 . 2 ]" 1
779 1 107 SER HA 1 110 LEU H . . 5.000 4.038 3.932 4.150 . 0 0 "[ . 1 . 2 ]" 1
780 1 107 SER HA 1 110 LEU HB2 . . 4.700 3.993 3.527 4.955 0.255 14 0 "[ . 1 . 2 ]" 1
781 1 107 SER HA 1 110 LEU HB3 . . 4.500 3.772 3.351 4.374 . 0 0 "[ . 1 . 2 ]" 1
782 1 107 SER HA 1 111 ARG H . . 4.500 3.651 3.464 4.012 . 0 0 "[ . 1 . 2 ]" 1
783 1 107 SER HB3 1 109 GLU H . . 5.000 4.749 4.586 4.782 . 0 0 "[ . 1 . 2 ]" 1
784 1 108 PRO HA 1 109 GLU H . . 4.000 3.518 3.511 3.523 . 0 0 "[ . 1 . 2 ]" 1
785 1 108 PRO HA 1 111 ARG H . . 4.000 3.672 3.439 3.809 . 0 0 "[ . 1 . 2 ]" 1
786 1 108 PRO HB2 1 109 GLU H . . 5.000 3.169 3.141 3.217 . 0 0 "[ . 1 . 2 ]" 1
787 1 108 PRO HB3 1 109 GLU H . . 4.000 4.098 4.082 4.125 0.125 11 0 "[ . 1 . 2 ]" 1
788 1 108 PRO HD2 1 109 GLU H . . 4.000 2.193 2.186 2.199 . 0 0 "[ . 1 . 2 ]" 1
789 1 108 PRO HD3 1 109 GLU H . . 4.000 3.596 3.588 3.602 . 0 0 "[ . 1 . 2 ]" 1
790 1 108 PRO HG2 1 109 GLU H . . 5.000 2.709 2.678 2.762 . 0 0 "[ . 1 . 2 ]" 1
791 1 108 PRO HG3 1 109 GLU H . . 5.000 3.962 3.943 3.994 . 0 0 "[ . 1 . 2 ]" 1
792 1 109 GLU H 1 110 LEU H . . 3.000 2.484 2.406 2.634 . 0 0 "[ . 1 . 2 ]" 1
793 1 109 GLU HA 1 110 LEU H . . 4.000 3.515 3.490 3.533 . 0 0 "[ . 1 . 2 ]" 1
794 1 109 GLU HA 1 112 ARG H . . 4.000 3.598 3.278 3.758 . 0 0 "[ . 1 . 2 ]" 1
795 1 109 GLU HA 1 112 ARG HB2 . . 4.500 2.769 2.498 3.143 . 0 0 "[ . 1 . 2 ]" 1
796 1 109 GLU HA 1 112 ARG HB3 . . 4.500 4.326 3.975 4.733 0.233 22 0 "[ . 1 . 2 ]" 1
797 1 109 GLU HA 1 113 GLU H . . 4.500 3.955 3.607 4.280 . 0 0 "[ . 1 . 2 ]" 1
798 1 109 GLU HB2 1 110 LEU H . . 4.000 3.369 3.170 3.443 . 0 0 "[ . 1 . 2 ]" 1
799 1 109 GLU HB3 1 110 LEU H . . 3.500 2.793 2.580 2.982 . 0 0 "[ . 1 . 2 ]" 1
800 1 109 GLU O 1 113 GLU H . . 2.000 1.994 1.592 2.162 0.162 10 0 "[ . 1 . 2 ]" 1
801 1 109 GLU O 1 113 GLU N . . 3.000 2.958 2.563 3.115 0.115 10 0 "[ . 1 . 2 ]" 1
802 1 110 LEU H 1 111 ARG H . . 3.500 2.521 2.447 2.699 . 0 0 "[ . 1 . 2 ]" 1
803 1 110 LEU H 1 112 ARG H . . 5.000 3.959 3.660 4.194 . 0 0 "[ . 1 . 2 ]" 1
804 1 110 LEU H 1 113 GLU H . . 5.000 4.637 4.435 4.757 . 0 0 "[ . 1 . 2 ]" 1
805 1 110 LEU H 1 114 ILE H . . 5.200 5.269 5.014 5.445 0.245 10 0 "[ . 1 . 2 ]" 1
806 1 110 LEU HA 1 113 GLU H . . 3.500 3.407 3.162 3.535 0.035 14 0 "[ . 1 . 2 ]" 1
807 1 110 LEU HA 1 114 ILE H . . 4.500 3.080 2.613 3.496 . 0 0 "[ . 1 . 2 ]" 1
808 1 110 LEU MD1 1 111 ARG H . . 5.000 4.375 4.165 4.550 . 0 0 "[ . 1 . 2 ]" 1
809 1 110 LEU MD1 1 114 ILE MD . . 4.000 2.140 1.628 2.503 . 0 0 "[ . 1 . 2 ]" 1
810 1 110 LEU O 1 114 ILE H . . 2.000 1.425 1.302 1.579 . 0 0 "[ . 1 . 2 ]" 1
811 1 110 LEU O 1 114 ILE N . . 3.000 2.302 2.206 2.451 . 0 0 "[ . 1 . 2 ]" 1
812 1 111 ARG H 1 112 ARG H . . 3.000 2.678 2.591 2.768 . 0 0 "[ . 1 . 2 ]" 1
813 1 111 ARG HA 1 114 ILE H . . 4.000 3.781 3.421 4.244 0.244 18 0 "[ . 1 . 2 ]" 1
814 1 111 ARG HA 1 115 THR H . . 4.000 3.168 2.986 3.552 . 0 0 "[ . 1 . 2 ]" 1
815 1 112 ARG H 1 113 GLU H . . 3.500 2.628 2.424 2.753 . 0 0 "[ . 1 . 2 ]" 1
816 1 112 ARG HA 1 113 GLU H . . 4.500 3.541 3.536 3.549 . 0 0 "[ . 1 . 2 ]" 1
817 1 112 ARG HA 1 115 THR H . . 4.000 3.892 3.697 4.140 0.140 1 0 "[ . 1 . 2 ]" 1
818 1 112 ARG HB2 1 113 GLU H . . 3.500 2.500 2.317 2.627 . 0 0 "[ . 1 . 2 ]" 1
819 1 112 ARG HB2 1 115 THR H . . 5.500 5.514 5.429 5.603 0.103 22 0 "[ . 1 . 2 ]" 1
820 1 112 ARG HB3 1 113 GLU H . . 4.500 3.316 3.134 3.486 . 0 0 "[ . 1 . 2 ]" 1
821 1 113 GLU H 1 114 ILE H . . 3.000 2.518 2.420 2.625 . 0 0 "[ . 1 . 2 ]" 1
822 1 113 GLU H 1 116 ASP H . . 5.000 4.519 4.391 4.885 . 0 0 "[ . 1 . 2 ]" 1
823 1 113 GLU HA 1 114 ILE H . . 4.000 3.533 3.503 3.545 . 0 0 "[ . 1 . 2 ]" 1
824 1 113 GLU HA 1 116 ASP H . . 4.000 3.438 3.253 3.576 . 0 0 "[ . 1 . 2 ]" 1
825 1 113 GLU HB2 1 114 ILE H . . 3.500 2.918 2.412 3.449 . 0 0 "[ . 1 . 2 ]" 1
826 1 113 GLU HB3 1 114 ILE H . . 4.000 3.159 2.395 3.879 . 0 0 "[ . 1 . 2 ]" 1
827 1 113 GLU HG2 1 114 ILE H . . 5.000 4.899 4.796 5.000 0.000 12 0 "[ . 1 . 2 ]" 1
828 1 113 GLU HG3 1 114 ILE H . . 4.500 4.131 3.930 4.285 . 0 0 "[ . 1 . 2 ]" 1
829 1 114 ILE H 1 115 THR H . . 3.000 2.647 2.491 2.771 . 0 0 "[ . 1 . 2 ]" 1
830 1 114 ILE HA 1 115 THR H . . 4.500 3.515 3.483 3.529 . 0 0 "[ . 1 . 2 ]" 1
831 1 114 ILE HA 1 117 GLN H . . 4.500 3.431 3.334 3.538 . 0 0 "[ . 1 . 2 ]" 1
832 1 114 ILE HA 1 118 LEU H . . 4.500 3.972 3.672 4.273 . 0 0 "[ . 1 . 2 ]" 1
833 1 114 ILE MG 1 115 THR H . . 4.500 3.488 3.342 3.655 . 0 0 "[ . 1 . 2 ]" 1
834 1 114 ILE MG 1 118 LEU H . . 5.000 3.918 3.693 4.160 . 0 0 "[ . 1 . 2 ]" 1
835 1 114 ILE MG 1 118 LEU MD1 . . 5.200 3.105 2.366 3.532 . 0 0 "[ . 1 . 2 ]" 1
836 1 114 ILE MG 1 118 LEU MD2 . . 5.200 3.571 3.062 3.727 . 0 0 "[ . 1 . 2 ]" 1
837 1 114 ILE O 1 118 LEU H . . 2.000 1.764 1.567 1.954 . 0 0 "[ . 1 . 2 ]" 1
838 1 114 ILE O 1 118 LEU N . . 3.000 2.678 2.450 2.895 . 0 0 "[ . 1 . 2 ]" 1
839 1 115 THR H 1 116 ASP H . . 3.500 2.669 2.565 2.712 . 0 0 "[ . 1 . 2 ]" 1
840 1 115 THR H 1 118 LEU H . . 5.000 4.472 4.332 4.672 . 0 0 "[ . 1 . 2 ]" 1
841 1 115 THR HA 1 118 LEU H . . 4.000 3.175 3.120 3.277 . 0 0 "[ . 1 . 2 ]" 1
842 1 115 THR HA 1 118 LEU HB2 . . 4.500 2.232 2.020 2.528 . 0 0 "[ . 1 . 2 ]" 1
843 1 115 THR HA 1 118 LEU HB3 . . 4.500 3.672 3.301 4.179 . 0 0 "[ . 1 . 2 ]" 1
844 1 115 THR HA 1 119 HIS H . . 4.500 3.865 3.613 4.076 . 0 0 "[ . 1 . 2 ]" 1
845 1 115 THR MG 1 116 ASP H . . 4.500 3.555 3.338 4.064 . 0 0 "[ . 1 . 2 ]" 1
846 1 115 THR MG 1 118 LEU H . . 5.000 4.622 4.533 4.858 . 0 0 "[ . 1 . 2 ]" 1
847 1 115 THR O 1 119 HIS H . . 2.000 1.814 1.661 1.947 . 0 0 "[ . 1 . 2 ]" 1
848 1 115 THR O 1 119 HIS N . . 3.000 2.798 2.644 2.932 . 0 0 "[ . 1 . 2 ]" 1
849 1 116 ASP H 1 117 GLN H . . 3.000 2.640 2.600 2.712 . 0 0 "[ . 1 . 2 ]" 1
850 1 116 ASP H 1 119 HIS H . . 5.000 4.752 4.635 4.860 . 0 0 "[ . 1 . 2 ]" 1
851 1 116 ASP HA 1 117 GLN H . . 4.000 3.513 3.478 3.535 . 0 0 "[ . 1 . 2 ]" 1
852 1 116 ASP HA 1 119 HIS H . . 4.000 3.671 3.615 3.762 . 0 0 "[ . 1 . 2 ]" 1
853 1 116 ASP HA 1 119 HIS HB2 . . 4.500 3.663 3.245 3.988 . 0 0 "[ . 1 . 2 ]" 1
854 1 116 ASP HA 1 119 HIS HB3 . . 4.500 3.228 2.949 3.469 . 0 0 "[ . 1 . 2 ]" 1
855 1 116 ASP HA 1 120 GLN H . . 4.500 4.492 4.392 4.580 0.080 23 0 "[ . 1 . 2 ]" 1
856 1 116 ASP HB2 1 117 GLN H . . 3.500 3.119 2.612 3.612 0.112 14 0 "[ . 1 . 2 ]" 1
857 1 116 ASP HB3 1 117 GLN H . . 4.000 2.977 2.507 3.581 . 0 0 "[ . 1 . 2 ]" 1
858 1 117 GLN H 1 118 LEU H . . 3.000 2.461 2.447 2.485 . 0 0 "[ . 1 . 2 ]" 1
859 1 117 GLN H 1 118 LEU HB2 . . 5.000 4.308 4.261 4.421 . 0 0 "[ . 1 . 2 ]" 1
860 1 117 GLN HA 1 118 LEU H . . 4.000 3.509 3.501 3.525 . 0 0 "[ . 1 . 2 ]" 1
861 1 117 GLN HA 1 120 GLN H . . 4.000 3.267 3.187 3.335 . 0 0 "[ . 1 . 2 ]" 1
862 1 117 GLN HA 1 120 GLN HB2 . . 4.500 2.983 2.628 3.468 . 0 0 "[ . 1 . 2 ]" 1
863 1 117 GLN HA 1 120 GLN HB3 . . 4.500 3.167 2.622 3.800 . 0 0 "[ . 1 . 2 ]" 1
864 1 117 GLN HA 1 121 VAL H . . 5.000 4.103 3.911 4.283 . 0 0 "[ . 1 . 2 ]" 1
865 1 117 GLN HB2 1 118 LEU H . . 4.000 4.092 3.788 4.158 0.158 23 0 "[ . 1 . 2 ]" 1
866 1 117 GLN HB3 1 118 LEU H . . 3.500 3.262 2.544 3.513 0.013 22 0 "[ . 1 . 2 ]" 1
867 1 117 GLN HG2 1 118 LEU H . . 5.000 3.152 1.845 4.857 . 0 0 "[ . 1 . 2 ]" 1
868 1 117 GLN HG3 1 118 LEU H . . 5.000 3.301 2.088 4.813 . 0 0 "[ . 1 . 2 ]" 1
869 1 117 GLN O 1 121 VAL H . . 2.000 1.835 1.631 1.996 . 0 0 "[ . 1 . 2 ]" 1
870 1 117 GLN O 1 121 VAL N . . 3.000 2.706 2.554 2.849 . 0 0 "[ . 1 . 2 ]" 1
871 1 118 LEU H 1 119 HIS H . . 3.000 2.665 2.611 2.696 . 0 0 "[ . 1 . 2 ]" 1
872 1 118 LEU H 1 121 VAL H . . 5.000 4.516 4.419 4.618 . 0 0 "[ . 1 . 2 ]" 1
873 1 118 LEU HA 1 119 HIS H . . 4.000 3.520 3.516 3.522 . 0 0 "[ . 1 . 2 ]" 1
874 1 118 LEU HA 1 121 VAL H . . 3.500 3.136 3.087 3.194 . 0 0 "[ . 1 . 2 ]" 1
875 1 118 LEU HA 1 121 VAL HB . . 4.500 2.318 2.142 2.624 . 0 0 "[ . 1 . 2 ]" 1
876 1 118 LEU HA 1 122 MET H . . 4.500 4.058 3.459 4.302 . 0 0 "[ . 1 . 2 ]" 1
877 1 118 LEU HB2 1 119 HIS H . . 4.000 2.864 2.709 2.962 . 0 0 "[ . 1 . 2 ]" 1
878 1 118 LEU HB3 1 119 HIS H . . 3.500 3.209 3.105 3.395 . 0 0 "[ . 1 . 2 ]" 1
879 1 118 LEU MD2 1 121 VAL H . . 5.000 4.150 4.078 4.221 . 0 0 "[ . 1 . 2 ]" 1
880 1 118 LEU HG 1 119 HIS H . . 5.000 4.861 4.650 4.951 . 0 0 "[ . 1 . 2 ]" 1
881 1 118 LEU O 1 122 MET H . . 2.000 1.939 1.521 2.096 0.096 2 0 "[ . 1 . 2 ]" 1
882 1 118 LEU O 1 122 MET N . . 3.000 2.878 2.508 3.049 0.049 2 0 "[ . 1 . 2 ]" 1
883 1 119 HIS H 1 120 GLN H . . 3.000 2.633 2.560 2.683 . 0 0 "[ . 1 . 2 ]" 1
884 1 119 HIS H 1 122 MET H . . 5.000 4.772 4.516 4.905 . 0 0 "[ . 1 . 2 ]" 1
885 1 119 HIS HA 1 120 GLN H . . 5.000 3.495 3.471 3.510 . 0 0 "[ . 1 . 2 ]" 1
886 1 119 HIS HA 1 122 MET H . . 4.000 3.503 3.337 3.609 . 0 0 "[ . 1 . 2 ]" 1
887 1 119 HIS HA 1 122 MET HB2 . . 4.500 3.615 2.932 4.116 . 0 0 "[ . 1 . 2 ]" 1
888 1 119 HIS HA 1 122 MET HB3 . . 4.500 3.193 2.585 4.528 0.028 21 0 "[ . 1 . 2 ]" 1
889 1 119 HIS HA 1 123 SER H . . 4.500 4.457 3.789 4.584 0.084 10 0 "[ . 1 . 2 ]" 1
890 1 119 HIS HB2 1 120 GLN H . . 4.000 3.852 3.662 3.941 . 0 0 "[ . 1 . 2 ]" 1
891 1 119 HIS HB3 1 120 GLN H . . 3.000 2.751 2.656 2.901 . 0 0 "[ . 1 . 2 ]" 1
892 1 120 GLN H 1 121 VAL H . . 3.500 2.444 2.403 2.506 . 0 0 "[ . 1 . 2 ]" 1
893 1 120 GLN HA 1 121 VAL H . . 4.000 3.486 3.474 3.509 . 0 0 "[ . 1 . 2 ]" 1
894 1 120 GLN HA 1 123 SER H . . 4.000 3.254 3.155 3.520 . 0 0 "[ . 1 . 2 ]" 1
895 1 120 GLN HA 1 123 SER HB2 . . 4.500 2.975 2.580 3.386 . 0 0 "[ . 1 . 2 ]" 1
896 1 120 GLN HA 1 123 SER HB3 . . 4.500 3.035 2.670 3.430 . 0 0 "[ . 1 . 2 ]" 1
897 1 120 GLN HA 1 124 GLU H . . 4.500 4.493 4.426 4.602 0.102 8 0 "[ . 1 . 2 ]" 1
898 1 120 GLN HB2 1 121 VAL H . . 4.000 3.627 3.247 3.906 . 0 0 "[ . 1 . 2 ]" 1
899 1 120 GLN HB3 1 121 VAL H . . 3.500 2.901 2.705 3.214 . 0 0 "[ . 1 . 2 ]" 1
900 1 120 GLN HG2 1 121 VAL H . . 5.000 4.590 4.018 4.929 . 0 0 "[ . 1 . 2 ]" 1
901 1 121 VAL H 1 122 MET H . . 3.500 2.571 2.470 2.641 . 0 0 "[ . 1 . 2 ]" 1
902 1 121 VAL HA 1 122 MET H . . 4.000 3.509 3.482 3.527 . 0 0 "[ . 1 . 2 ]" 1
903 1 121 VAL HA 1 124 GLU H . . 4.000 3.557 3.447 3.643 . 0 0 "[ . 1 . 2 ]" 1
904 1 121 VAL HA 1 124 GLU HB2 . . 4.500 3.647 3.270 4.709 0.209 7 0 "[ . 1 . 2 ]" 1
905 1 121 VAL HA 1 124 GLU HB3 . . 4.500 3.934 3.306 4.512 0.012 23 0 "[ . 1 . 2 ]" 1
906 1 121 VAL HA 1 125 VAL H . . 4.500 4.331 4.101 4.494 . 0 0 "[ . 1 . 2 ]" 1
907 1 121 VAL HB 1 122 MET H . . 3.500 3.006 2.638 3.425 . 0 0 "[ . 1 . 2 ]" 1
908 1 121 VAL MG2 1 122 MET H . . 5.000 4.124 3.835 4.275 . 0 0 "[ . 1 . 2 ]" 1
909 1 122 MET H 1 123 SER H . . 3.000 2.583 2.502 2.695 . 0 0 "[ . 1 . 2 ]" 1
910 1 122 MET H 1 123 SER QB . . 5.000 4.350 4.277 4.457 . 0 0 "[ . 1 . 2 ]" 1
911 1 122 MET H 1 125 VAL H . . 5.000 4.630 4.544 4.708 . 0 0 "[ . 1 . 2 ]" 1
912 1 122 MET HA 1 123 SER H . . 4.000 3.505 3.489 3.520 . 0 0 "[ . 1 . 2 ]" 1
913 1 122 MET HA 1 125 VAL H . . 3.000 3.161 3.121 3.228 0.228 7 0 "[ . 1 . 2 ]" 1
914 1 122 MET HA 1 125 VAL HB . . 4.500 2.166 2.028 2.369 . 0 0 "[ . 1 . 2 ]" 1
915 1 122 MET HA 1 126 ALA H . . 4.500 3.975 3.661 4.294 . 0 0 "[ . 1 . 2 ]" 1
916 1 122 MET HB3 1 123 SER H . . 4.000 2.789 2.569 3.944 . 0 0 "[ . 1 . 2 ]" 1
917 1 122 MET ME 1 125 VAL MG2 . . 5.200 3.274 2.658 3.490 . 0 0 "[ . 1 . 2 ]" 1
918 1 122 MET HG2 1 123 SER H . . 5.000 4.631 4.182 4.978 . 0 0 "[ . 1 . 2 ]" 1
919 1 122 MET HG3 1 123 SER H . . 4.500 3.883 3.427 4.435 . 0 0 "[ . 1 . 2 ]" 1
920 1 122 MET O 1 126 ALA H . . 2.000 1.859 1.618 2.062 0.062 14 0 "[ . 1 . 2 ]" 1
921 1 122 MET O 1 126 ALA N . . 3.000 2.736 2.468 2.925 . 0 0 "[ . 1 . 2 ]" 1
922 1 123 SER H 1 124 GLU H . . 3.000 2.732 2.672 2.760 . 0 0 "[ . 1 . 2 ]" 1
923 1 123 SER H 1 126 ALA H . . 5.000 4.648 4.426 4.801 . 0 0 "[ . 1 . 2 ]" 1
924 1 123 SER HA 1 124 GLU H . . 4.000 3.532 3.521 3.538 . 0 0 "[ . 1 . 2 ]" 1
925 1 123 SER HA 1 126 ALA H . . 4.000 3.534 3.445 3.726 . 0 0 "[ . 1 . 2 ]" 1
926 1 123 SER HA 1 126 ALA MB . . 4.500 2.850 2.606 3.176 . 0 0 "[ . 1 . 2 ]" 1
927 1 123 SER HA 1 127 LEU H . . 5.000 4.794 4.512 4.969 . 0 0 "[ . 1 . 2 ]" 1
928 1 123 SER HB2 1 124 GLU H . . 4.000 3.734 3.477 3.874 . 0 0 "[ . 1 . 2 ]" 1
929 1 123 SER HB3 1 124 GLU H . . 4.000 2.494 2.435 2.576 . 0 0 "[ . 1 . 2 ]" 1
930 1 124 GLU H 1 125 VAL H . . 3.000 2.473 2.456 2.504 . 0 0 "[ . 1 . 2 ]" 1
931 1 124 GLU HA 1 125 VAL H . . 4.000 3.484 3.481 3.489 . 0 0 "[ . 1 . 2 ]" 1
932 1 124 GLU HA 1 127 LEU H . . 4.000 3.272 3.136 3.436 . 0 0 "[ . 1 . 2 ]" 1
933 1 124 GLU HA 1 127 LEU HB2 . . 4.500 2.664 2.366 3.078 . 0 0 "[ . 1 . 2 ]" 1
934 1 124 GLU HA 1 127 LEU HB3 . . 4.500 3.963 3.389 4.400 . 0 0 "[ . 1 . 2 ]" 1
935 1 124 GLU HA 1 128 LEU H . . 4.500 4.491 4.219 4.601 0.101 17 0 "[ . 1 . 2 ]" 1
936 1 124 GLU HB2 1 125 VAL H . . 4.000 3.582 3.203 3.917 . 0 0 "[ . 1 . 2 ]" 1
937 1 124 GLU HB3 1 125 VAL H . . 4.000 2.995 2.803 4.035 0.035 7 0 "[ . 1 . 2 ]" 1
938 1 124 GLU HG3 1 125 VAL H . . 5.000 4.608 2.253 4.938 . 0 0 "[ . 1 . 2 ]" 1
939 1 125 VAL H 1 126 ALA H . . 3.000 2.528 2.423 2.692 . 0 0 "[ . 1 . 2 ]" 1
940 1 125 VAL H 1 126 ALA MB . . 5.000 4.206 4.106 4.328 . 0 0 "[ . 1 . 2 ]" 1
941 1 125 VAL H 1 128 LEU H . . 5.000 4.806 4.571 4.976 . 0 0 "[ . 1 . 2 ]" 1
942 1 125 VAL HA 1 126 ALA H . . 4.000 3.487 3.467 3.527 . 0 0 "[ . 1 . 2 ]" 1
943 1 125 VAL HA 1 128 LEU H . . 3.500 3.185 2.980 3.323 . 0 0 "[ . 1 . 2 ]" 1
944 1 125 VAL HA 1 128 LEU HB2 . . 4.500 3.974 2.318 4.630 0.130 8 0 "[ . 1 . 2 ]" 1
945 1 125 VAL HA 1 128 LEU HB3 . . 4.500 3.932 2.512 4.565 0.065 9 0 "[ . 1 . 2 ]" 1
946 1 125 VAL HA 1 129 ARG H . . 4.000 3.729 3.479 4.097 0.097 9 0 "[ . 1 . 2 ]" 1
947 1 125 VAL HB 1 126 ALA H . . 3.000 2.817 2.592 2.966 . 0 0 "[ . 1 . 2 ]" 1
948 1 125 VAL MG1 1 126 ALA H . . 4.500 3.423 3.101 3.772 . 0 0 "[ . 1 . 2 ]" 1
949 1 125 VAL MG2 1 126 ALA H . . 5.000 3.972 3.671 4.177 . 0 0 "[ . 1 . 2 ]" 1
950 1 125 VAL O 1 129 ARG H . . 2.000 1.671 1.546 1.939 . 0 0 "[ . 1 . 2 ]" 1
951 1 125 VAL O 1 129 ARG N . . 3.000 2.640 2.442 2.936 . 0 0 "[ . 1 . 2 ]" 1
952 1 126 ALA H 1 127 LEU H . . 3.000 2.538 2.409 2.695 . 0 0 "[ . 1 . 2 ]" 1
953 1 126 ALA H 1 129 ARG H . . 5.000 4.578 4.295 4.783 . 0 0 "[ . 1 . 2 ]" 1
954 1 126 ALA HA 1 127 LEU H . . 4.000 3.468 3.428 3.527 . 0 0 "[ . 1 . 2 ]" 1
955 1 126 ALA HA 1 129 ARG H . . 4.000 3.427 3.161 3.619 . 0 0 "[ . 1 . 2 ]" 1
956 1 126 ALA HA 1 129 ARG HB2 . . 4.500 2.873 2.027 4.382 . 0 0 "[ . 1 . 2 ]" 1
957 1 126 ALA HA 1 129 ARG HB3 . . 4.500 3.782 2.382 4.496 . 0 0 "[ . 1 . 2 ]" 1
958 1 126 ALA HA 1 130 GLN H . . 4.500 3.454 3.241 3.734 . 0 0 "[ . 1 . 2 ]" 1
959 1 126 ALA MB 1 127 LEU H . . 4.000 2.746 2.474 2.895 . 0 0 "[ . 1 . 2 ]" 1
960 1 126 ALA MB 1 130 GLN H . . 5.000 4.252 4.167 4.400 . 0 0 "[ . 1 . 2 ]" 1
961 1 127 LEU H 1 128 LEU H . . 3.000 2.504 2.351 2.744 . 0 0 "[ . 1 . 2 ]" 1
962 1 127 LEU HA 1 128 LEU H . . 4.000 3.508 3.438 3.530 . 0 0 "[ . 1 . 2 ]" 1
963 1 127 LEU HA 1 130 GLN H . . 4.000 3.729 3.552 3.889 . 0 0 "[ . 1 . 2 ]" 1
964 1 127 LEU HA 1 130 GLN HB2 . . 4.500 3.123 2.436 3.993 . 0 0 "[ . 1 . 2 ]" 1
965 1 127 LEU HA 1 130 GLN HB3 . . 4.500 3.923 2.601 4.516 0.016 19 0 "[ . 1 . 2 ]" 1
966 1 127 LEU HA 1 131 ALA H . . 4.500 4.167 3.733 4.500 0.000 17 0 "[ . 1 . 2 ]" 1
967 1 127 LEU HB2 1 128 LEU H . . 4.000 3.139 2.797 3.722 . 0 0 "[ . 1 . 2 ]" 1
968 1 127 LEU HB3 1 128 LEU H . . 3.500 3.027 2.625 3.355 . 0 0 "[ . 1 . 2 ]" 1
969 1 128 LEU H 1 129 ARG H . . 3.000 2.510 2.387 2.676 . 0 0 "[ . 1 . 2 ]" 1
970 1 128 LEU HA 1 129 ARG H . . 4.000 3.520 3.467 3.536 . 0 0 "[ . 1 . 2 ]" 1
971 1 128 LEU HB2 1 129 ARG H . . 3.500 3.429 2.521 3.965 0.465 21 0 "[ . 1 . 2 ]" 1
972 1 128 LEU HB3 1 129 ARG H . . 4.000 3.671 2.544 4.171 0.171 17 0 "[ . 1 . 2 ]" 1
973 1 128 LEU MD1 1 129 ARG H . . 5.000 3.021 1.687 4.298 . 0 0 "[ . 1 . 2 ]" 1
974 1 129 ARG H 1 130 GLN H . . 3.000 2.754 2.624 2.854 . 0 0 "[ . 1 . 2 ]" 1
975 1 129 ARG H 1 132 VAL H . . 5.000 4.593 4.478 4.732 . 0 0 "[ . 1 . 2 ]" 1
976 1 129 ARG HA 1 130 GLN H . . 4.500 3.546 3.538 3.552 . 0 0 "[ . 1 . 2 ]" 1
977 1 129 ARG HA 1 132 VAL H . . 3.500 3.288 3.194 3.529 0.029 17 0 "[ . 1 . 2 ]" 1
978 1 129 ARG HA 1 132 VAL HB . . 4.500 2.918 2.506 3.512 . 0 0 "[ . 1 . 2 ]" 1
979 1 129 ARG HA 1 133 GLU H . . 4.500 3.716 3.366 4.295 . 0 0 "[ . 1 . 2 ]" 1
980 1 129 ARG HB2 1 130 GLN H . . 3.500 2.752 2.291 3.536 0.036 10 0 "[ . 1 . 2 ]" 1
981 1 129 ARG HB3 1 130 GLN H . . 4.000 3.353 2.218 3.965 . 0 0 "[ . 1 . 2 ]" 1
982 1 129 ARG HG2 1 130 GLN H . . 5.000 4.369 3.333 4.954 . 0 0 "[ . 1 . 2 ]" 1
983 1 129 ARG HG3 1 130 GLN H . . 4.500 3.628 1.734 4.470 . 0 0 "[ . 1 . 2 ]" 1
984 1 130 GLN H 1 131 ALA H . . 3.000 2.641 2.551 2.675 . 0 0 "[ . 1 . 2 ]" 1
985 1 130 GLN H 1 133 GLU H . . 5.000 4.571 4.442 4.803 . 0 0 "[ . 1 . 2 ]" 1
986 1 130 GLN HA 1 133 GLU H . . 4.500 3.428 3.268 3.532 . 0 0 "[ . 1 . 2 ]" 1
987 1 130 GLN HB2 1 131 ALA H . . 4.500 3.253 2.902 4.028 . 0 0 "[ . 1 . 2 ]" 1
988 1 130 GLN HB3 1 131 ALA H . . 4.500 3.335 2.809 3.704 . 0 0 "[ . 1 . 2 ]" 1
989 1 131 ALA H 1 132 VAL H . . 3.000 2.481 2.445 2.606 . 0 0 "[ . 1 . 2 ]" 1
990 1 131 ALA HA 1 132 VAL H . . 4.000 3.517 3.504 3.521 . 0 0 "[ . 1 . 2 ]" 1
991 1 131 ALA HA 1 135 GLU H . . 4.500 4.555 4.365 4.660 0.160 14 0 "[ . 1 . 2 ]" 1
992 1 131 ALA MB 1 132 VAL H . . 4.000 2.538 2.512 2.606 . 0 0 "[ . 1 . 2 ]" 1
993 1 132 VAL H 1 133 GLU H . . 3.000 2.513 2.384 2.638 . 0 0 "[ . 1 . 2 ]" 1
994 1 132 VAL H 1 135 GLU H . . 5.000 4.814 4.599 4.934 . 0 0 "[ . 1 . 2 ]" 1
995 1 132 VAL HA 1 133 GLU H . . 4.000 3.523 3.484 3.535 . 0 0 "[ . 1 . 2 ]" 1
996 1 132 VAL HA 1 136 VAL H . . 5.000 4.198 3.978 4.529 . 0 0 "[ . 1 . 2 ]" 1
997 1 132 VAL HB 1 133 GLU H . . 3.000 2.557 2.473 2.790 . 0 0 "[ . 1 . 2 ]" 1
998 1 132 VAL MG1 1 133 GLU H . . 4.500 3.701 3.248 3.798 . 0 0 "[ . 1 . 2 ]" 1
999 1 132 VAL MG1 1 136 VAL H . . 5.000 3.984 3.849 4.069 . 0 0 "[ . 1 . 2 ]" 1
1000 1 132 VAL MG2 1 133 GLU H . . 5.000 3.533 3.335 3.956 . 0 0 "[ . 1 . 2 ]" 1
1001 1 133 GLU H 1 134 SER H . . 3.000 2.682 2.633 2.749 . 0 0 "[ . 1 . 2 ]" 1
1002 1 133 GLU H 1 136 VAL H . . 5.000 4.726 4.553 4.922 . 0 0 "[ . 1 . 2 ]" 1
1003 1 133 GLU HA 1 134 SER H . . 4.000 3.502 3.479 3.528 . 0 0 "[ . 1 . 2 ]" 1
1004 1 133 GLU HB2 1 134 SER H . . 4.000 3.795 3.423 4.073 0.073 7 0 "[ . 1 . 2 ]" 1
1005 1 133 GLU HB3 1 134 SER H . . 3.500 2.794 2.570 3.479 . 0 0 "[ . 1 . 2 ]" 1
1006 1 134 SER H 1 135 GLU H . . 4.000 2.637 2.479 2.756 . 0 0 "[ . 1 . 2 ]" 1
1007 1 134 SER HA 1 135 GLU H . . 4.000 3.515 3.493 3.540 . 0 0 "[ . 1 . 2 ]" 1
1008 1 134 SER HB2 1 135 GLU H . . 4.000 3.255 2.549 3.918 . 0 0 "[ . 1 . 2 ]" 1
1009 1 134 SER HB3 1 135 GLU H . . 4.000 3.183 2.558 3.887 . 0 0 "[ . 1 . 2 ]" 1
1010 1 135 GLU H 1 136 VAL H . . 3.500 2.566 2.433 2.714 . 0 0 "[ . 1 . 2 ]" 1
1011 1 135 GLU H 1 136 VAL MG2 . . 5.000 3.779 3.509 3.962 . 0 0 "[ . 1 . 2 ]" 1
1012 1 135 GLU HA 1 136 VAL H . . 3.500 3.518 3.489 3.537 0.037 9 0 "[ . 1 . 2 ]" 1
1013 1 135 GLU HA 1 139 VAL H . . 4.500 4.248 3.584 4.447 . 0 0 "[ . 1 . 2 ]" 1
1014 1 135 GLU HB2 1 136 VAL H . . 3.500 2.790 2.453 3.615 0.115 11 0 "[ . 1 . 2 ]" 1
1015 1 135 GLU HB3 1 136 VAL H . . 4.000 3.575 2.446 3.972 . 0 0 "[ . 1 . 2 ]" 1
1016 1 135 GLU HG2 1 136 VAL H . . 5.000 4.886 4.412 5.034 0.034 22 0 "[ . 1 . 2 ]" 1
1017 1 135 GLU HG3 1 136 VAL H . . 4.000 4.018 3.952 4.097 0.097 7 0 "[ . 1 . 2 ]" 1
1018 1 136 VAL HA 1 139 VAL H . . 4.000 3.381 2.966 3.730 . 0 0 "[ . 1 . 2 ]" 1
1019 1 136 VAL HA 1 139 VAL HB . . 4.500 3.345 2.334 4.729 0.229 20 0 "[ . 1 . 2 ]" 1
1020 1 138 ARG H 1 139 VAL H . . 4.000 2.508 2.176 2.732 . 0 0 "[ . 1 . 2 ]" 1
1021 1 138 ARG HB2 1 139 VAL H . . 4.000 3.253 2.746 3.953 . 0 0 "[ . 1 . 2 ]" 1
1022 1 138 ARG HB3 1 139 VAL H . . 4.000 3.267 2.649 3.979 . 0 0 "[ . 1 . 2 ]" 1
1023 1 139 VAL HA 1 140 SER H . . 4.000 3.284 2.169 3.549 . 0 0 "[ . 1 . 2 ]" 1
1024 1 139 VAL HB 1 140 SER H . . 4.000 3.246 2.319 4.034 0.034 20 0 "[ . 1 . 2 ]" 1
1025 1 139 VAL MG1 1 140 SER H . . 5.000 3.344 2.037 4.187 . 0 0 "[ . 1 . 2 ]" 1
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