NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517078 |
2hst   |
6763 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hst
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 1586
_Distance_constraint_stats_list.Viol_count 3896
_Distance_constraint_stats_list.Viol_total 4596.544
_Distance_constraint_stats_list.Viol_max 0.521
_Distance_constraint_stats_list.Viol_rms 0.0222
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0472
_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 4 ASP 1.332 0.095 20 0 "[ . 1 . 2 .]"
1 5 SER 0.335 0.066 22 0 "[ . 1 . 2 .]"
1 6 LYS 1.938 0.093 4 0 "[ . 1 . 2 .]"
1 7 PHE 1.376 0.085 16 0 "[ . 1 . 2 .]"
1 8 GLY 2.199 0.141 10 0 "[ . 1 . 2 .]"
1 9 PHE 4.712 0.141 10 0 "[ . 1 . 2 .]"
1 10 ILE 0.736 0.069 10 0 "[ . 1 . 2 .]"
1 11 VAL 4.894 0.156 16 0 "[ . 1 . 2 .]"
1 12 ILE 4.709 0.167 8 0 "[ . 1 . 2 .]"
1 13 ASP 3.756 0.167 8 0 "[ . 1 . 2 .]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 SER 11.369 0.521 12 1 "[ . 1 + . 2 .]"
1 16 GLY 12.898 0.521 12 1 "[ . 1 + . 2 .]"
1 17 ALA 2.025 0.093 5 0 "[ . 1 . 2 .]"
1 18 LEU 1.890 0.128 19 0 "[ . 1 . 2 .]"
1 19 PHE 1.121 0.087 25 0 "[ . 1 . 2 .]"
1 20 GLY 1.819 0.139 19 0 "[ . 1 . 2 .]"
1 21 THR 1.749 0.097 22 0 "[ . 1 . 2 .]"
1 22 LEU 1.689 0.091 20 0 "[ . 1 . 2 .]"
1 23 GLN 1.385 0.101 16 0 "[ . 1 . 2 .]"
1 24 GLY 1.102 0.095 20 0 "[ . 1 . 2 .]"
1 25 ASN 0.758 0.063 19 0 "[ . 1 . 2 .]"
1 26 THR 0.245 0.041 14 0 "[ . 1 . 2 .]"
1 27 ARG 7.798 0.245 3 0 "[ . 1 . 2 .]"
1 28 GLU 1.103 0.097 3 0 "[ . 1 . 2 .]"
1 29 VAL 0.814 0.054 4 0 "[ . 1 . 2 .]"
1 30 LEU 1.741 0.139 19 0 "[ . 1 . 2 .]"
1 31 HIS 3.084 0.102 18 0 "[ . 1 . 2 .]"
1 32 LYS 0.678 0.055 12 0 "[ . 1 . 2 .]"
1 33 PHE 0.432 0.073 12 0 "[ . 1 . 2 .]"
1 34 THR 0.745 0.073 12 0 "[ . 1 . 2 .]"
1 35 VAL 3.188 0.109 20 0 "[ . 1 . 2 .]"
1 36 ASP 0.803 0.064 1 0 "[ . 1 . 2 .]"
1 37 LEU 5.410 0.108 18 0 "[ . 1 . 2 .]"
1 38 PRO 5.373 0.200 23 0 "[ . 1 . 2 .]"
1 39 LYS 8.202 0.293 10 0 "[ . 1 . 2 .]"
1 40 LYS 1.250 0.083 1 0 "[ . 1 . 2 .]"
1 41 HIS 2.932 0.293 10 0 "[ . 1 . 2 .]"
1 42 GLY 0.079 0.049 10 0 "[ . 1 . 2 .]"
1 43 ARG 0.138 0.086 12 0 "[ . 1 . 2 .]"
1 44 GLY 0.138 0.086 12 0 "[ . 1 . 2 .]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 GLN 2.675 0.119 4 0 "[ . 1 . 2 .]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 ALA 0.655 0.075 22 0 "[ . 1 . 2 .]"
1 49 LEU 0.382 0.058 8 0 "[ . 1 . 2 .]"
1 50 ARG 0.526 0.078 16 0 "[ . 1 . 2 .]"
1 51 PHE 7.726 0.213 23 0 "[ . 1 . 2 .]"
1 52 ALA 0.667 0.150 1 0 "[ . 1 . 2 .]"
1 53 ARG 0.183 0.072 14 0 "[ . 1 . 2 .]"
1 54 LEU 1.597 0.073 7 0 "[ . 1 . 2 .]"
1 55 ARG 1.055 0.102 6 0 "[ . 1 . 2 .]"
1 56 MET 0.102 0.072 14 0 "[ . 1 . 2 .]"
1 57 GLU 1.651 0.114 24 0 "[ . 1 . 2 .]"
1 58 LYS 2.215 0.091 18 0 "[ . 1 . 2 .]"
1 59 ARG 1.983 0.112 1 0 "[ . 1 . 2 .]"
1 60 HIS 0.365 0.055 2 0 "[ . 1 . 2 .]"
1 61 ASN 2.706 0.114 24 0 "[ . 1 . 2 .]"
1 62 TYR 5.734 0.156 20 0 "[ . 1 . 2 .]"
1 63 VAL 3.758 0.156 20 0 "[ . 1 . 2 .]"
1 64 ARG 0.317 0.035 13 0 "[ . 1 . 2 .]"
1 65 LYS 0.022 0.015 20 0 "[ . 1 . 2 .]"
1 66 VAL 2.299 0.081 19 0 "[ . 1 . 2 .]"
1 67 ALA 0.055 0.023 7 0 "[ . 1 . 2 .]"
1 68 GLU 0.043 0.020 15 0 "[ . 1 . 2 .]"
1 69 THR 1.706 0.069 4 0 "[ . 1 . 2 .]"
1 70 ALA 3.323 0.130 3 0 "[ . 1 . 2 .]"
1 71 VAL 0.909 0.080 5 0 "[ . 1 . 2 .]"
1 72 GLN 0.415 0.036 25 0 "[ . 1 . 2 .]"
1 73 LEU 0.934 0.056 14 0 "[ . 1 . 2 .]"
1 74 PHE 5.321 0.184 5 0 "[ . 1 . 2 .]"
1 75 ILE 11.104 0.184 5 0 "[ . 1 . 2 .]"
1 76 SER 5.868 0.231 18 0 "[ . 1 . 2 .]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 78 ASP 5.943 0.231 18 0 "[ . 1 . 2 .]"
1 79 LYS 0.565 0.074 11 0 "[ . 1 . 2 .]"
1 80 VAL 5.863 0.108 11 0 "[ . 1 . 2 .]"
1 81 ASN 2.127 0.128 11 0 "[ . 1 . 2 .]"
1 82 VAL 1.928 0.093 4 0 "[ . 1 . 2 .]"
1 83 ALA 0.162 0.044 22 0 "[ . 1 . 2 .]"
1 84 GLY 1.579 0.093 10 0 "[ . 1 . 2 .]"
1 85 LEU 1.843 0.297 5 0 "[ . 1 . 2 .]"
1 86 VAL 2.285 0.113 10 0 "[ . 1 . 2 .]"
1 87 LEU 4.518 0.145 3 0 "[ . 1 . 2 .]"
1 88 ALA 0.794 0.058 19 0 "[ . 1 . 2 .]"
1 89 GLY 1.314 0.080 5 0 "[ . 1 . 2 .]"
1 90 SER 1.684 0.077 8 0 "[ . 1 . 2 .]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 92 ASP 1.440 0.099 5 0 "[ . 1 . 2 .]"
1 93 PHE 2.705 0.099 5 0 "[ . 1 . 2 .]"
1 94 LYS 0.179 0.039 17 0 "[ . 1 . 2 .]"
1 95 THR 3.228 0.238 5 0 "[ . 1 . 2 .]"
1 96 GLU 5.807 0.199 13 0 "[ . 1 . 2 .]"
1 97 LEU 2.185 0.086 10 0 "[ . 1 . 2 .]"
1 98 SER 0.610 0.068 5 0 "[ . 1 . 2 .]"
1 99 GLN 10.631 0.296 7 0 "[ . 1 . 2 .]"
1 100 SER 1.790 0.128 21 0 "[ . 1 . 2 .]"
1 101 ASP 0.024 0.024 19 0 "[ . 1 . 2 .]"
1 102 MET 1.606 0.139 12 0 "[ . 1 . 2 .]"
1 103 PHE 5.559 0.130 3 0 "[ . 1 . 2 .]"
1 104 ASP 11.975 0.304 24 0 "[ . 1 . 2 .]"
1 105 GLN 0.944 0.075 4 0 "[ . 1 . 2 .]"
1 106 ARG 3.874 0.133 8 0 "[ . 1 . 2 .]"
1 107 LEU 5.843 0.155 4 0 "[ . 1 . 2 .]"
1 108 GLN 7.026 0.304 24 0 "[ . 1 . 2 .]"
1 109 SER 3.130 0.155 4 0 "[ . 1 . 2 .]"
1 110 LYS 1.380 0.086 5 0 "[ . 1 . 2 .]"
1 111 VAL 0.719 0.053 18 0 "[ . 1 . 2 .]"
1 112 LEU 8.737 0.325 4 0 "[ . 1 . 2 .]"
1 113 LYS 8.074 0.325 4 0 "[ . 1 . 2 .]"
1 114 LEU 2.880 0.238 5 0 "[ . 1 . 2 .]"
1 115 VAL 0.812 0.080 5 0 "[ . 1 . 2 .]"
1 116 ASP 0.143 0.040 4 0 "[ . 1 . 2 .]"
1 117 ILE 2.795 0.130 25 0 "[ . 1 . 2 .]"
1 118 SER 2.497 0.080 20 0 "[ . 1 . 2 .]"
1 119 TYR 2.846 0.097 14 0 "[ . 1 . 2 .]"
1 120 GLY 2.392 0.110 6 0 "[ . 1 . 2 .]"
1 121 GLY 5.374 0.132 18 0 "[ . 1 . 2 .]"
1 122 GLU 1.496 0.128 19 0 "[ . 1 . 2 .]"
1 123 ASN 2.957 0.132 18 0 "[ . 1 . 2 .]"
1 124 GLY 0.426 0.080 13 0 "[ . 1 . 2 .]"
1 125 PHE 5.555 0.156 16 0 "[ . 1 . 2 .]"
1 126 ASN 1.349 0.145 15 0 "[ . 1 . 2 .]"
1 127 GLN 0.962 0.059 25 0 "[ . 1 . 2 .]"
1 128 ALA 0.082 0.033 22 0 "[ . 1 . 2 .]"
1 129 ILE 7.891 0.325 2 0 "[ . 1 . 2 .]"
1 130 GLU 1.707 0.126 22 0 "[ . 1 . 2 .]"
1 131 LEU 0.321 0.070 15 0 "[ . 1 . 2 .]"
1 132 SER 0.198 0.083 19 0 "[ . 1 . 2 .]"
1 133 THR 5.792 0.293 16 0 "[ . 1 . 2 .]"
1 134 GLU 0.760 0.090 19 0 "[ . 1 . 2 .]"
1 135 VAL 2.026 0.293 16 0 "[ . 1 . 2 .]"
1 136 LEU 1.092 0.097 21 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 9 PHE H 1 22 LEU H 5.000 . 5.000 4.696 3.505 4.969 . 0 0 "[ . 1 . 2 .]" 1
2 1 21 THR H 1 28 GLU H 3.500 . 3.500 3.361 3.092 3.505 0.005 25 0 "[ . 1 . 2 .]" 1
3 1 21 THR H 1 30 LEU H 5.500 . 5.500 4.009 3.542 4.470 . 0 0 "[ . 1 . 2 .]" 1
4 1 19 PHE H 1 31 HIS H 4.500 . 4.500 3.286 2.774 4.052 . 0 0 "[ . 1 . 2 .]" 1
5 1 17 ALA H 1 33 PHE H 3.700 . 3.700 3.643 3.427 3.751 0.051 24 0 "[ . 1 . 2 .]" 1
6 1 8 GLY H 1 84 GLY H 4.500 . 4.500 3.485 2.991 3.886 . 0 0 "[ . 1 . 2 .]" 1
7 1 8 GLY H 1 86 VAL H 4.500 . 4.500 4.013 3.720 4.266 . 0 0 "[ . 1 . 2 .]" 1
8 1 10 ILE H 1 86 VAL H 4.500 . 4.500 4.250 4.025 4.516 0.016 4 0 "[ . 1 . 2 .]" 1
9 1 10 ILE H 1 88 ALA H 4.500 . 4.500 3.013 2.769 3.272 . 0 0 "[ . 1 . 2 .]" 1
10 1 11 VAL H 1 88 ALA H 5.500 . 5.500 4.637 4.516 4.784 . 0 0 "[ . 1 . 2 .]" 1
11 1 12 ILE H 1 90 SER H 5.500 . 5.500 4.419 4.065 4.767 . 0 0 "[ . 1 . 2 .]" 1
12 1 85 LEU H 1 112 LEU H 3.500 . 3.500 2.927 2.682 3.125 . 0 0 "[ . 1 . 2 .]" 1
13 1 85 LEU H 1 113 LYS H 5.500 . 5.500 4.677 4.316 4.959 . 0 0 "[ . 1 . 2 .]" 1
14 1 87 LEU H 1 113 LYS H 4.600 . 4.600 3.885 3.736 4.054 . 0 0 "[ . 1 . 2 .]" 1
15 1 87 LEU H 1 115 VAL H 5.500 . 5.500 4.137 3.954 4.278 . 0 0 "[ . 1 . 2 .]" 1
16 1 89 GLY H 1 115 VAL H 4.500 . 4.500 4.440 4.208 4.518 0.018 20 0 "[ . 1 . 2 .]" 1
17 1 89 GLY H 1 117 ILE H 4.800 . 4.800 4.721 4.525 4.825 0.025 22 0 "[ . 1 . 2 .]" 1
18 1 6 LYS H 1 83 ALA H 5.500 . 5.500 4.625 4.338 4.965 . 0 0 "[ . 1 . 2 .]" 1
19 1 8 GLY H 1 83 ALA H 5.500 . 5.500 3.976 3.719 4.263 . 0 0 "[ . 1 . 2 .]" 1
20 1 11 VAL H 1 18 LEU H 4.500 . 4.500 4.153 3.496 4.410 . 0 0 "[ . 1 . 2 .]" 1
21 1 9 PHE H 1 20 GLY H 4.500 . 4.500 4.095 3.654 4.519 0.019 10 0 "[ . 1 . 2 .]" 1
22 1 7 PHE H 1 22 LEU H 4.500 2.500 4.500 2.880 2.612 3.096 . 0 0 "[ . 1 . 2 .]" 1
23 1 6 LYS HA 1 22 LEU H 4.700 . 4.700 4.558 4.262 4.764 0.064 16 0 "[ . 1 . 2 .]" 1
24 1 4 ASP H 1 24 GLY QA 4.500 . 4.500 4.540 4.475 4.595 0.095 20 0 "[ . 1 . 2 .]" 1
25 1 21 THR H 1 27 ARG HA 5.300 . 5.300 5.152 4.778 5.380 0.080 15 0 "[ . 1 . 2 .]" 1
26 1 22 LEU HA 1 28 GLU H 4.500 . 4.500 3.500 3.272 3.883 . 0 0 "[ . 1 . 2 .]" 1
27 1 21 THR H 1 29 VAL HA 4.300 . 4.300 3.413 3.075 3.646 . 0 0 "[ . 1 . 2 .]" 1
28 1 20 GLY HA2 1 30 LEU H 3.500 . 3.500 2.129 1.657 2.850 . 0 0 "[ . 1 . 2 .]" 1
29 1 20 GLY HA3 1 30 LEU H 4.500 . 4.500 3.754 3.305 4.461 . 0 0 "[ . 1 . 2 .]" 1
30 1 16 GLY H 1 34 THR HA 4.500 . 4.500 4.286 3.842 4.529 0.029 14 0 "[ . 1 . 2 .]" 1
31 1 15 SER HA 1 35 VAL H 5.500 . 5.500 3.896 3.642 4.132 . 0 0 "[ . 1 . 2 .]" 1
32 1 16 GLY HA3 1 35 VAL H 3.500 . 3.500 3.285 3.074 3.371 . 0 0 "[ . 1 . 2 .]" 1
33 1 16 GLY HA2 1 35 VAL H 3.500 . 3.500 2.182 1.975 2.359 . 0 0 "[ . 1 . 2 .]" 1
34 1 74 PHE HA 1 82 VAL H 5.500 . 5.500 4.769 4.559 5.052 . 0 0 "[ . 1 . 2 .]" 1
35 1 7 PHE HA 1 83 ALA H 4.500 . 4.500 2.739 2.524 2.990 . 0 0 "[ . 1 . 2 .]" 1
36 1 7 PHE HA 1 84 GLY H 3.500 . 3.500 2.958 2.530 3.479 . 0 0 "[ . 1 . 2 .]" 1
37 1 8 GLY H 1 85 LEU HA 3.800 . 3.800 2.834 2.562 3.025 . 0 0 "[ . 1 . 2 .]" 1
38 1 9 PHE HA 1 86 VAL H 3.500 . 3.500 3.173 2.884 3.372 . 0 0 "[ . 1 . 2 .]" 1
39 1 10 ILE H 1 87 LEU HA 3.700 . 3.700 2.632 2.307 2.897 . 0 0 "[ . 1 . 2 .]" 1
40 1 9 PHE HA 1 88 ALA H 5.300 2.100 5.300 5.102 4.842 5.242 . 0 0 "[ . 1 . 2 .]" 1
41 1 11 VAL HA 1 88 ALA H 3.600 . 3.600 3.595 3.326 3.658 0.058 19 0 "[ . 1 . 2 .]" 1
42 1 13 ASP HA 1 90 SER H 4.200 . 4.200 4.200 3.983 4.277 0.077 8 0 "[ . 1 . 2 .]" 1
43 1 12 ILE H 1 89 GLY HA3 3.500 . 3.500 3.465 3.175 3.544 0.044 20 0 "[ . 1 . 2 .]" 1
44 1 12 ILE H 1 89 GLY HA2 5.500 . 5.500 2.680 2.209 2.855 . 0 0 "[ . 1 . 2 .]" 1
45 1 86 VAL HA 1 112 LEU H 4.500 . 4.500 4.311 4.097 4.506 0.006 5 0 "[ . 1 . 2 .]" 1
46 1 87 LEU H 1 114 LEU HA 2.600 . 2.600 2.608 2.507 2.689 0.089 10 0 "[ . 1 . 2 .]" 1
47 1 88 ALA HA 1 115 VAL H 3.500 . 3.500 2.853 2.700 2.972 . 0 0 "[ . 1 . 2 .]" 1
48 1 89 GLY H 1 116 ASP HA 3.500 . 3.500 3.093 2.834 3.294 . 0 0 "[ . 1 . 2 .]" 1
49 1 88 ALA HA 1 117 ILE H 6.000 . 6.000 5.889 5.633 6.018 0.018 16 0 "[ . 1 . 2 .]" 1
50 1 25 ASN HA 1 133 THR H 6.700 . 6.700 6.687 6.597 6.759 0.059 16 0 "[ . 1 . 2 .]" 1
51 1 19 PHE HA 1 31 HIS H 5.500 . 5.500 4.856 4.361 5.250 . 0 0 "[ . 1 . 2 .]" 1
52 1 20 GLY HA3 1 31 HIS H 5.500 . 5.500 5.233 4.940 5.500 0.000 23 0 "[ . 1 . 2 .]" 1
53 1 20 GLY HA2 1 31 HIS H 5.500 . 5.500 3.797 3.561 3.994 . 0 0 "[ . 1 . 2 .]" 1
54 1 11 VAL H 1 19 PHE HA 4.500 . 4.500 2.722 2.502 3.038 . 0 0 "[ . 1 . 2 .]" 1
55 1 10 ILE HA 1 20 GLY H 4.500 . 4.500 3.482 3.204 3.678 . 0 0 "[ . 1 . 2 .]" 1
56 1 7 PHE H 1 21 THR HA 4.800 . 4.800 4.731 4.510 4.862 0.062 2 0 "[ . 1 . 2 .]" 1
57 1 7 PHE H 1 23 GLN HA 3.500 . 3.500 3.432 3.196 3.585 0.085 16 0 "[ . 1 . 2 .]" 1
58 1 9 PHE H 1 21 THR HA 4.500 . 4.500 2.930 2.030 3.250 . 0 0 "[ . 1 . 2 .]" 1
59 1 6 LYS HA 1 23 GLN HA 3.500 . 3.500 2.704 2.483 3.261 . 0 0 "[ . 1 . 2 .]" 1
60 1 22 LEU HA 1 27 ARG HA 3.500 . 3.500 2.720 2.383 2.951 . 0 0 "[ . 1 . 2 .]" 1
61 1 20 GLY HA2 1 29 VAL HA 3.500 . 3.500 2.524 2.288 2.809 . 0 0 "[ . 1 . 2 .]" 1
62 1 20 GLY HA3 1 29 VAL HA 3.500 . 3.500 3.378 3.071 3.554 0.054 4 0 "[ . 1 . 2 .]" 1
63 1 18 LEU HA 1 32 LYS HA 3.500 . 3.500 2.415 2.212 2.690 . 0 0 "[ . 1 . 2 .]" 1
64 1 16 GLY HA3 1 34 THR HA 2.500 . 2.500 2.495 2.294 2.573 0.073 12 0 "[ . 1 . 2 .]" 1
65 1 16 GLY HA2 1 34 THR HA 3.500 . 3.500 2.323 2.263 2.463 . 0 0 "[ . 1 . 2 .]" 1
66 1 16 GLY QA 1 34 THR HA 3.400 . 3.400 2.133 2.091 2.234 . 0 0 "[ . 1 . 2 .]" 1
67 1 15 SER HA 1 36 ASP HA 4.900 . 4.900 4.918 4.815 4.964 0.064 1 0 "[ . 1 . 2 .]" 1
68 1 7 PHE HA 1 82 VAL HA 5.500 . 5.500 3.863 3.628 4.075 . 0 0 "[ . 1 . 2 .]" 1
69 1 7 PHE HA 1 84 GLY QA 5.500 . 5.500 4.089 3.758 4.270 . 0 0 "[ . 1 . 2 .]" 1
70 1 7 PHE HA 1 84 GLY HA3 4.500 . 4.500 4.320 3.939 4.524 0.024 22 0 "[ . 1 . 2 .]" 1
71 1 7 PHE HA 1 85 LEU HA 6.000 . 6.000 4.391 3.865 4.717 . 0 0 "[ . 1 . 2 .]" 1
72 1 8 GLY QA 1 85 LEU HA 5.500 . 5.500 3.185 2.622 3.690 . 0 0 "[ . 1 . 2 .]" 1
73 1 8 GLY HA2 1 85 LEU HA 4.800 . 4.800 4.615 4.156 4.836 0.036 2 0 "[ . 1 . 2 .]" 1
74 1 9 PHE HA 1 86 VAL HA 4.800 . 4.800 4.719 4.523 4.854 0.054 4 0 "[ . 1 . 2 .]" 1
75 1 11 VAL HA 1 89 GLY QA 5.500 . 5.500 3.659 3.512 3.767 . 0 0 "[ . 1 . 2 .]" 1
76 1 11 VAL HA 1 89 GLY HA3 4.900 . 4.900 4.803 4.616 4.922 0.022 23 0 "[ . 1 . 2 .]" 1
77 1 84 GLY QA 1 110 LYS HA 4.500 . 4.500 3.605 3.388 3.788 . 0 0 "[ . 1 . 2 .]" 1
78 1 84 GLY HA3 1 110 LYS HA 5.000 . 5.000 5.015 4.808 5.075 0.075 14 0 "[ . 1 . 2 .]" 1
79 1 84 GLY HA2 1 110 LYS HA 4.500 . 4.500 3.697 3.463 3.913 . 0 0 "[ . 1 . 2 .]" 1
80 1 86 VAL HA 1 111 VAL HA 5.700 . 5.700 5.505 5.158 5.724 0.024 5 0 "[ . 1 . 2 .]" 1
81 1 12 ILE HA 1 17 ALA HA 5.500 . 5.500 3.398 2.641 3.641 . 0 0 "[ . 1 . 2 .]" 1
82 1 10 ILE HA 1 19 PHE HA 3.500 . 3.500 2.790 2.552 3.010 . 0 0 "[ . 1 . 2 .]" 1
83 1 8 GLY HA2 1 21 THR HA 4.500 . 4.500 2.547 2.253 2.870 . 0 0 "[ . 1 . 2 .]" 1
84 1 8 GLY HA3 1 21 THR HA 4.500 . 4.500 4.197 3.902 4.501 0.001 12 0 "[ . 1 . 2 .]" 1
85 1 8 GLY QA 1 21 THR HA 3.500 . 3.500 2.526 2.239 2.839 . 0 0 "[ . 1 . 2 .]" 1
86 1 9 PHE H 1 85 LEU MD2 4.500 . 4.500 3.748 3.332 4.269 . 0 0 "[ . 1 . 2 .]" 1
87 1 9 PHE H 1 125 PHE QE 5.500 . 5.500 5.045 4.250 5.226 . 0 0 "[ . 1 . 2 .]" 1
88 1 7 PHE H 1 21 THR MG 2.900 . 2.900 2.806 2.518 2.950 0.050 17 0 "[ . 1 . 2 .]" 1
89 1 9 PHE HZ 1 22 LEU MD1 3.900 . 3.900 3.890 3.732 3.968 0.068 11 0 "[ . 1 . 2 .]" 1
90 1 10 ILE HB 1 88 ALA H 4.500 . 4.500 2.913 2.596 3.180 . 0 0 "[ . 1 . 2 .]" 1
91 1 10 ILE MG 1 88 ALA H 5.500 . 5.500 3.405 3.146 3.643 . 0 0 "[ . 1 . 2 .]" 1
92 1 11 VAL QG 1 88 ALA H 4.500 . 4.500 4.098 3.940 4.229 . 0 0 "[ . 1 . 2 .]" 1
93 1 11 VAL QG 1 90 SER H 5.500 . 5.500 4.856 4.639 5.062 . 0 0 "[ . 1 . 2 .]" 1
94 1 13 ASP HB3 1 90 SER H 5.800 . 5.800 5.765 5.135 5.847 0.047 22 0 "[ . 1 . 2 .]" 1
95 1 13 ASP HB2 1 90 SER H 6.200 . 6.200 6.215 6.090 6.275 0.075 20 0 "[ . 1 . 2 .]" 1
96 1 12 ILE MD 1 17 ALA HA 5.000 . 5.000 4.865 4.195 5.093 0.093 5 0 "[ . 1 . 2 .]" 1
97 1 11 VAL HB 1 18 LEU HB2 4.500 . 4.500 3.946 3.821 4.064 . 0 0 "[ . 1 . 2 .]" 1
98 1 11 VAL HB 1 18 LEU HB3 4.700 . 4.700 2.321 2.292 2.360 . 0 0 "[ . 1 . 2 .]" 1
99 1 11 VAL MG1 1 18 LEU HB3 4.300 . 4.300 2.968 2.504 3.096 . 0 0 "[ . 1 . 2 .]" 1
100 1 11 VAL QG 1 18 LEU QB 4.500 . 4.500 2.623 2.419 2.846 . 0 0 "[ . 1 . 2 .]" 1
101 1 11 VAL MG1 1 18 LEU QB 4.500 . 4.500 2.905 2.469 3.019 . 0 0 "[ . 1 . 2 .]" 1
102 1 11 VAL MG1 1 18 LEU HB2 4.500 . 4.500 4.137 3.752 4.384 . 0 0 "[ . 1 . 2 .]" 1
103 1 11 VAL H 1 18 LEU QB 4.500 . 4.500 4.410 4.269 4.516 0.016 1 0 "[ . 1 . 2 .]" 1
104 1 11 VAL MG1 1 18 LEU MD2 3.600 . 3.600 3.467 2.977 3.612 0.012 7 0 "[ . 1 . 2 .]" 1
105 1 11 VAL MG2 1 18 LEU MD2 3.500 . 3.500 2.147 2.035 2.418 . 0 0 "[ . 1 . 2 .]" 1
106 1 11 VAL H 1 18 LEU MD2 4.500 . 4.500 3.625 3.145 4.018 . 0 0 "[ . 1 . 2 .]" 1
107 1 18 LEU MD2 1 30 LEU H 5.500 . 5.500 4.519 4.050 5.529 0.029 22 0 "[ . 1 . 2 .]" 1
108 1 11 VAL HB 1 18 LEU H 3.700 . 3.700 2.500 2.087 3.160 . 0 0 "[ . 1 . 2 .]" 1
109 1 10 ILE HA 1 19 PHE QD 3.800 . 3.800 3.719 3.526 3.822 0.022 23 0 "[ . 1 . 2 .]" 1
110 1 11 VAL H 1 19 PHE QD 5.500 . 5.500 3.962 3.434 4.594 . 0 0 "[ . 1 . 2 .]" 1
111 1 12 ILE MD 1 19 PHE QE 4.500 . 4.500 3.883 3.236 4.504 0.004 12 0 "[ . 1 . 2 .]" 1
112 1 12 ILE MD 1 19 PHE HZ 4.700 . 4.700 4.263 3.634 4.766 0.066 14 0 "[ . 1 . 2 .]" 1
113 1 9 PHE QB 1 20 GLY H 4.500 . 4.500 2.771 2.334 3.274 . 0 0 "[ . 1 . 2 .]" 1
114 1 8 GLY QA 1 21 THR MG 3.500 . 3.500 2.263 2.147 2.750 . 0 0 "[ . 1 . 2 .]" 1
115 1 9 PHE QD 1 21 THR HA 4.000 . 4.000 4.003 3.883 4.074 0.074 10 0 "[ . 1 . 2 .]" 1
116 1 7 PHE HB2 1 22 LEU H 4.500 . 4.500 3.366 3.143 3.495 . 0 0 "[ . 1 . 2 .]" 1
117 1 7 PHE HB3 1 22 LEU H 4.600 . 4.600 4.447 4.151 4.644 0.044 16 0 "[ . 1 . 2 .]" 1
118 1 7 PHE QD 1 22 LEU H 5.500 . 5.500 4.728 4.460 4.994 . 0 0 "[ . 1 . 2 .]" 1
119 1 9 PHE QD 1 22 LEU QB 3.500 . 3.500 2.429 2.295 2.685 . 0 0 "[ . 1 . 2 .]" 1
120 1 9 PHE QD 1 22 LEU H 3.800 . 3.800 3.797 3.666 3.833 0.033 6 0 "[ . 1 . 2 .]" 1
121 1 6 LYS HA 1 23 GLN HB3 2.700 . 2.700 2.659 2.033 2.750 0.050 4 0 "[ . 1 . 2 .]" 1
122 1 6 LYS HA 1 23 GLN QB 3.500 . 3.500 2.559 1.993 2.650 . 0 0 "[ . 1 . 2 .]" 1
123 1 6 LYS HA 1 23 GLN HB2 3.500 . 3.500 3.369 2.866 3.548 0.048 3 0 "[ . 1 . 2 .]" 1
124 1 22 LEU HA 1 27 ARG QB 4.000 . 4.000 3.571 2.410 4.072 0.072 17 0 "[ . 1 . 2 .]" 1
125 1 22 LEU MD2 1 27 ARG H 5.500 . 5.500 5.080 4.769 5.483 . 0 0 "[ . 1 . 2 .]" 1
126 1 21 THR H 1 28 GLU QB 4.400 . 4.400 3.891 3.511 4.497 0.097 22 0 "[ . 1 . 2 .]" 1
127 1 18 LEU MD2 1 29 VAL HA 4.300 . 4.300 4.041 3.677 4.336 0.036 5 0 "[ . 1 . 2 .]" 1
128 1 18 LEU MD1 1 29 VAL HA 5.000 . 5.000 4.861 4.271 5.029 0.029 23 0 "[ . 1 . 2 .]" 1
129 1 18 LEU MD1 1 29 VAL MG1 2.900 . 2.900 2.646 2.252 2.907 0.007 16 0 "[ . 1 . 2 .]" 1
130 1 20 GLY HA3 1 29 VAL MG1 4.500 . 4.500 4.119 3.896 4.286 . 0 0 "[ . 1 . 2 .]" 1
131 1 20 GLY QA 1 30 LEU QD 4.300 . 4.300 2.970 2.357 3.271 . 0 0 "[ . 1 . 2 .]" 1
132 1 20 GLY HA2 1 30 LEU QD 3.500 . 3.500 3.049 2.384 3.404 . 0 0 "[ . 1 . 2 .]" 1
133 1 20 GLY HA3 1 30 LEU QD 4.100 . 4.100 4.138 3.713 4.239 0.139 19 0 "[ . 1 . 2 .]" 1
134 1 21 THR H 1 30 LEU QD 4.400 . 4.400 3.422 3.032 3.741 . 0 0 "[ . 1 . 2 .]" 1
135 1 30 LEU QD 1 73 LEU MD2 3.500 . 3.500 3.038 2.140 3.555 0.055 2 0 "[ . 1 . 2 .]" 1
136 1 19 PHE HB3 1 31 HIS H 4.500 . 4.500 3.857 3.265 4.293 . 0 0 "[ . 1 . 2 .]" 1
137 1 19 PHE HB2 1 31 HIS H 4.500 . 4.500 3.369 2.542 3.880 . 0 0 "[ . 1 . 2 .]" 1
138 1 19 PHE QD 1 31 HIS H 5.500 . 5.500 5.123 3.732 5.587 0.087 25 0 "[ . 1 . 2 .]" 1
139 1 31 HIS H 1 73 LEU MD2 3.600 . 3.600 3.615 3.529 3.656 0.056 14 0 "[ . 1 . 2 .]" 1
140 1 31 HIS H 1 125 PHE QE 6.800 . 6.800 6.797 6.542 6.902 0.102 18 0 "[ . 1 . 2 .]" 1
141 1 18 LEU HB3 1 32 LYS HA 5.400 . 5.400 5.056 4.767 5.406 0.006 19 0 "[ . 1 . 2 .]" 1
142 1 18 LEU HB2 1 32 LYS HA 5.100 . 5.100 3.882 3.526 4.277 . 0 0 "[ . 1 . 2 .]" 1
143 1 18 LEU HA 1 32 LYS QB 3.900 . 3.900 3.777 3.032 3.955 0.055 12 0 "[ . 1 . 2 .]" 1
144 1 17 ALA MB 1 33 PHE QE 3.500 . 3.500 2.413 2.008 2.892 . 0 0 "[ . 1 . 2 .]" 1
145 1 17 ALA MB 1 33 PHE HZ 3.200 . 3.200 2.231 2.062 3.206 0.006 12 0 "[ . 1 . 2 .]" 1
146 1 16 GLY QA 1 34 THR HB 4.100 . 4.100 3.801 3.688 3.870 . 0 0 "[ . 1 . 2 .]" 1
147 1 16 GLY HA3 1 34 THR HB 4.200 . 4.200 4.141 3.958 4.213 0.013 10 0 "[ . 1 . 2 .]" 1
148 1 16 GLY HA2 1 34 THR HB 4.600 . 4.600 4.429 4.316 4.614 0.014 8 0 "[ . 1 . 2 .]" 1
149 1 16 GLY QA 1 34 THR MG 4.500 . 4.500 3.221 3.004 3.331 . 0 0 "[ . 1 . 2 .]" 1
150 1 16 GLY HA3 1 34 THR MG 3.500 . 3.500 3.372 3.122 3.503 0.003 7 0 "[ . 1 . 2 .]" 1
151 1 16 GLY HA2 1 34 THR MG 4.200 . 4.200 4.090 3.907 4.208 0.008 12 0 "[ . 1 . 2 .]" 1
152 1 15 SER HA 1 35 VAL HB 5.800 . 5.800 5.634 5.150 5.889 0.089 3 0 "[ . 1 . 2 .]" 1
153 1 15 SER HA 1 35 VAL MG2 5.500 . 5.500 5.462 4.941 5.569 0.069 6 0 "[ . 1 . 2 .]" 1
154 1 15 SER H 1 35 VAL MG1 5.500 . 5.500 4.709 4.254 4.875 . 0 0 "[ . 1 . 2 .]" 1
155 1 16 GLY HA2 1 35 VAL HB 5.000 . 5.000 3.629 3.417 3.960 . 0 0 "[ . 1 . 2 .]" 1
156 1 16 GLY QA 1 35 VAL HB 5.500 . 5.500 3.571 3.370 3.882 . 0 0 "[ . 1 . 2 .]" 1
157 1 16 GLY H 1 35 VAL MG2 5.500 . 5.500 5.092 4.793 5.298 . 0 0 "[ . 1 . 2 .]" 1
158 1 16 GLY H 1 35 VAL MG1 3.500 . 3.500 2.397 2.018 2.700 . 0 0 "[ . 1 . 2 .]" 1
159 1 16 GLY QA 1 35 VAL MG1 4.000 . 4.000 2.850 2.532 3.371 . 0 0 "[ . 1 . 2 .]" 1
160 1 16 GLY QA 1 35 VAL MG2 4.700 . 4.700 4.768 4.638 4.809 0.109 20 0 "[ . 1 . 2 .]" 1
161 1 14 GLY QA 1 37 LEU MD1 3.900 . 3.900 3.101 2.154 3.682 . 0 0 "[ . 1 . 2 .]" 1
162 1 14 GLY H 1 37 LEU MD1 6.000 2.100 6.000 5.162 4.406 5.886 . 0 0 "[ . 1 . 2 .]" 1
163 1 40 LYS H 1 46 GLN QB 5.500 . 5.500 4.963 3.272 5.583 0.083 1 0 "[ . 1 . 2 .]" 1
164 1 38 PRO HG2 1 51 PHE QE 4.500 . 4.500 4.204 3.943 4.470 . 0 0 "[ . 1 . 2 .]" 1
165 1 38 PRO QG 1 51 PHE QE 4.900 . 4.900 3.940 3.702 4.179 . 0 0 "[ . 1 . 2 .]" 1
166 1 38 PRO HG3 1 51 PHE QE 5.000 . 5.000 4.763 4.479 5.021 0.021 10 0 "[ . 1 . 2 .]" 1
167 1 39 LYS HA 1 51 PHE QE 4.800 . 4.800 4.641 4.263 4.906 0.106 4 0 "[ . 1 . 2 .]" 1
168 1 39 LYS H 1 51 PHE QE 3.700 . 3.700 3.802 3.339 3.913 0.213 23 0 "[ . 1 . 2 .]" 1
169 1 40 LYS H 1 51 PHE QE 5.500 . 5.500 2.638 1.937 3.364 . 0 0 "[ . 1 . 2 .]" 1
170 1 41 HIS HA 1 51 PHE QD 4.500 . 4.500 4.291 3.016 4.620 0.120 22 0 "[ . 1 . 2 .]" 1
171 1 46 GLN HB3 1 51 PHE QD 3.500 . 3.500 2.915 2.176 3.510 0.010 4 0 "[ . 1 . 2 .]" 1
172 1 46 GLN QB 1 51 PHE QD 4.600 . 4.600 2.812 2.034 3.328 . 0 0 "[ . 1 . 2 .]" 1
173 1 46 GLN HB2 1 51 PHE QD 4.500 . 4.500 3.771 2.339 4.525 0.025 20 0 "[ . 1 . 2 .]" 1
174 1 46 GLN HE22 1 51 PHE QD 3.600 . 3.600 3.584 3.011 3.675 0.075 4 0 "[ . 1 . 2 .]" 1
175 1 46 GLN QG 1 51 PHE QD 3.500 . 3.500 3.314 2.286 3.590 0.090 20 0 "[ . 1 . 2 .]" 1
176 1 46 GLN HE21 1 51 PHE QE 4.500 . 4.500 4.179 3.219 4.520 0.020 23 0 "[ . 1 . 2 .]" 1
177 1 38 PRO HA 1 54 LEU QD 5.500 . 5.500 4.668 4.238 4.906 . 0 0 "[ . 1 . 2 .]" 1
178 1 38 PRO HB3 1 54 LEU MD1 3.800 . 3.800 3.214 2.686 3.469 . 0 0 "[ . 1 . 2 .]" 1
179 1 38 PRO HB2 1 54 LEU QD 3.700 . 3.700 3.613 3.282 3.757 0.057 1 0 "[ . 1 . 2 .]" 1
180 1 38 PRO HB2 1 54 LEU MD1 3.800 . 3.800 3.643 3.299 3.826 0.026 6 0 "[ . 1 . 2 .]" 1
181 1 38 PRO HG2 1 54 LEU MD1 3.500 . 3.500 2.509 2.164 3.224 . 0 0 "[ . 1 . 2 .]" 1
182 1 38 PRO QG 1 54 LEU MD1 3.900 . 3.900 2.429 2.125 2.984 . 0 0 "[ . 1 . 2 .]" 1
183 1 38 PRO HG3 1 54 LEU MD1 3.500 . 3.500 3.284 2.869 3.520 0.020 9 0 "[ . 1 . 2 .]" 1
184 1 46 GLN QG 1 54 LEU QB 4.500 . 4.500 4.070 3.522 4.487 . 0 0 "[ . 1 . 2 .]" 1
185 1 46 GLN HE21 1 54 LEU QD 3.500 . 3.500 3.084 2.683 3.511 0.011 17 0 "[ . 1 . 2 .]" 1
186 1 46 GLN QE 1 54 LEU QD 4.700 . 4.700 2.770 2.141 3.123 . 0 0 "[ . 1 . 2 .]" 1
187 1 46 GLN HE22 1 54 LEU QD 3.500 . 3.500 3.204 2.222 3.528 0.028 1 0 "[ . 1 . 2 .]" 1
188 1 46 GLN QG 1 54 LEU QD 3.500 . 3.500 3.369 2.098 3.573 0.073 7 0 "[ . 1 . 2 .]" 1
189 1 38 PRO QB 1 55 ARG HA 5.500 . 5.500 4.269 4.053 4.677 . 0 0 "[ . 1 . 2 .]" 1
190 1 38 PRO QD 1 55 ARG HA 5.500 . 5.500 3.254 2.896 3.673 . 0 0 "[ . 1 . 2 .]" 1
191 1 38 PRO QG 1 55 ARG HA 4.500 . 4.500 2.413 2.240 2.750 . 0 0 "[ . 1 . 2 .]" 1
192 1 38 PRO QB 1 55 ARG QD 4.600 . 4.600 4.576 3.294 4.702 0.102 6 0 "[ . 1 . 2 .]" 1
193 1 37 LEU MD2 1 58 LYS HB2 4.500 . 4.500 4.496 4.222 4.591 0.091 18 0 "[ . 1 . 2 .]" 1
194 1 37 LEU MD2 1 58 LYS HB3 4.500 . 4.500 4.459 3.583 4.565 0.065 7 0 "[ . 1 . 2 .]" 1
195 1 37 LEU MD2 1 58 LYS QB 4.500 . 4.500 3.979 3.456 4.059 . 0 0 "[ . 1 . 2 .]" 1
196 1 38 PRO QD 1 58 LYS QB 4.500 . 4.500 2.450 2.204 2.749 . 0 0 "[ . 1 . 2 .]" 1
197 1 38 PRO HD3 1 58 LYS HB3 3.500 . 3.500 2.837 2.432 3.525 0.025 10 0 "[ . 1 . 2 .]" 1
198 1 38 PRO HD3 1 58 LYS HB2 4.500 . 4.500 2.789 2.596 3.019 . 0 0 "[ . 1 . 2 .]" 1
199 1 37 LEU MD2 1 59 ARG HA 3.700 . 3.700 3.510 3.196 3.752 0.052 10 0 "[ . 1 . 2 .]" 1
200 1 37 LEU MD1 1 59 ARG HA 4.400 . 4.400 4.289 3.871 4.508 0.108 18 0 "[ . 1 . 2 .]" 1
201 1 37 LEU MD2 1 59 ARG HE 5.500 . 5.500 4.990 4.309 5.450 . 0 0 "[ . 1 . 2 .]" 1
202 1 37 LEU MD1 1 59 ARG HE 5.500 . 5.500 4.758 4.027 5.470 . 0 0 "[ . 1 . 2 .]" 1
203 1 12 ILE MD 1 62 TYR QD 3.800 . 3.800 3.748 3.535 3.838 0.038 16 0 "[ . 1 . 2 .]" 1
204 1 12 ILE MD 1 62 TYR QE 3.500 . 3.500 2.283 2.015 2.691 . 0 0 "[ . 1 . 2 .]" 1
205 1 12 ILE MG 1 62 TYR QE 4.100 . 4.100 4.024 3.689 4.167 0.067 18 0 "[ . 1 . 2 .]" 1
206 1 17 ALA MB 1 62 TYR QE 3.200 . 3.200 3.200 2.933 3.284 0.084 20 0 "[ . 1 . 2 .]" 1
207 1 33 PHE QE 1 62 TYR QD 5.000 . 5.000 4.734 4.396 5.053 0.053 12 0 "[ . 1 . 2 .]" 1
208 1 35 VAL MG1 1 62 TYR HA 5.200 2.100 5.200 4.568 4.238 5.065 . 0 0 "[ . 1 . 2 .]" 1
209 1 35 VAL HB 1 62 TYR HD1 4.500 . 4.500 4.519 4.477 4.551 0.051 20 0 "[ . 1 . 2 .]" 1
210 1 35 VAL HB 1 62 TYR QD 4.500 . 4.500 4.499 4.450 4.527 0.027 20 0 "[ . 1 . 2 .]" 1
211 1 35 VAL MG1 1 62 TYR QD 4.500 . 4.500 2.358 2.155 2.664 . 0 0 "[ . 1 . 2 .]" 1
212 1 35 VAL MG1 1 62 TYR QE 3.500 . 3.500 2.244 2.195 2.295 . 0 0 "[ . 1 . 2 .]" 1
213 1 37 LEU MD1 1 62 TYR QD 4.700 . 4.700 4.610 4.243 4.742 0.042 14 0 "[ . 1 . 2 .]" 1
214 1 12 ILE MD 1 63 VAL HA 4.500 . 4.500 2.724 2.257 3.232 . 0 0 "[ . 1 . 2 .]" 1
215 1 12 ILE MD 1 66 VAL HB 3.500 . 3.500 2.779 2.237 3.357 . 0 0 "[ . 1 . 2 .]" 1
216 1 12 ILE MD 1 66 VAL MG1 3.500 . 3.500 2.255 1.872 2.871 . 0 0 "[ . 1 . 2 .]" 1
217 1 12 ILE MD 1 66 VAL MG2 2.500 . 2.500 2.171 1.933 2.510 0.010 25 0 "[ . 1 . 2 .]" 1
218 1 17 ALA MB 1 66 VAL HA 4.700 . 4.700 4.735 4.691 4.781 0.081 19 0 "[ . 1 . 2 .]" 1
219 1 67 ALA MB 1 104 ASP H 5.500 . 5.500 3.621 2.919 5.033 . 0 0 "[ . 1 . 2 .]" 1
220 1 31 HIS HB2 1 69 THR MG 4.500 2.300 4.500 4.496 4.380 4.566 0.066 18 0 "[ . 1 . 2 .]" 1
221 1 31 HIS HB3 1 69 THR MG 4.500 . 4.500 4.415 4.048 4.555 0.055 25 0 "[ . 1 . 2 .]" 1
222 1 19 PHE QD 1 70 ALA HA 3.500 . 3.500 3.439 3.229 3.555 0.055 20 0 "[ . 1 . 2 .]" 1
223 1 71 VAL MG1 1 104 ASP H 5.500 . 5.500 4.314 3.921 5.495 . 0 0 "[ . 1 . 2 .]" 1
224 1 19 PHE QB 1 73 LEU MD2 4.300 . 4.300 2.104 1.955 2.340 . 0 0 "[ . 1 . 2 .]" 1
225 1 19 PHE HB3 1 73 LEU MD2 3.500 . 3.500 2.317 2.096 2.633 . 0 0 "[ . 1 . 2 .]" 1
226 1 19 PHE HB2 1 73 LEU MD2 5.500 . 5.500 2.442 2.163 2.744 . 0 0 "[ . 1 . 2 .]" 1
227 1 31 HIS HB2 1 73 LEU MD2 3.800 . 3.800 2.178 2.039 2.410 . 0 0 "[ . 1 . 2 .]" 1
228 1 8 GLY QA 1 74 PHE HE1 4.400 . 4.400 2.416 2.189 2.769 . 0 0 "[ . 1 . 2 .]" 1
229 1 8 GLY HA2 1 74 PHE QE 5.500 . 5.500 2.664 2.428 3.064 . 0 0 "[ . 1 . 2 .]" 1
230 1 8 GLY HA3 1 74 PHE QE 5.500 . 5.500 2.786 2.344 3.438 . 0 0 "[ . 1 . 2 .]" 1
231 1 20 GLY H 1 74 PHE HZ 5.200 . 5.200 5.086 4.890 5.231 0.031 14 0 "[ . 1 . 2 .]" 1
232 1 21 THR MG 1 74 PHE QE 3.500 . 3.500 3.002 2.296 3.506 0.006 2 0 "[ . 1 . 2 .]" 1
233 1 75 ILE H 1 81 ASN HD21 4.500 . 4.500 3.402 3.256 4.491 . 0 0 "[ . 1 . 2 .]" 1
234 1 75 ILE H 1 81 ASN HD22 4.500 . 4.500 2.876 2.657 4.404 . 0 0 "[ . 1 . 2 .]" 1
235 1 75 ILE MD 1 80 VAL H 6.300 . 6.300 6.353 6.314 6.389 0.089 16 0 "[ . 1 . 2 .]" 1
236 1 76 SER H 1 81 ASN QD 5.500 . 5.500 4.031 3.702 4.280 . 0 0 "[ . 1 . 2 .]" 1
237 1 76 SER H 1 81 ASN QB 6.000 . 6.000 6.024 5.968 6.114 0.114 18 0 "[ . 1 . 2 .]" 1
238 1 74 PHE HB3 1 80 VAL MG2 4.600 . 4.600 4.588 4.438 4.638 0.038 15 0 "[ . 1 . 2 .]" 1
239 1 75 ILE HA 1 80 VAL MG2 3.200 . 3.200 3.254 3.065 3.292 0.092 6 0 "[ . 1 . 2 .]" 1
240 1 75 ILE HB 1 80 VAL MG2 4.600 . 4.600 4.644 4.616 4.708 0.108 11 0 "[ . 1 . 2 .]" 1
241 1 74 PHE HA 1 81 ASN QD 3.400 . 3.400 1.762 1.721 1.809 . 0 0 "[ . 1 . 2 .]" 1
242 1 74 PHE HA 1 81 ASN HD21 2.500 . 2.500 1.774 1.731 1.823 . 0 0 "[ . 1 . 2 .]" 1
243 1 74 PHE HA 1 81 ASN HD22 3.000 . 3.000 3.020 2.997 3.128 0.128 11 0 "[ . 1 . 2 .]" 1
244 1 74 PHE QB 1 81 ASN QD 5.400 . 5.400 3.618 3.589 3.714 . 0 0 "[ . 1 . 2 .]" 1
245 1 74 PHE QD 1 81 ASN QD 3.500 . 3.500 3.496 3.374 3.535 0.035 20 0 "[ . 1 . 2 .]" 1
246 1 76 SER QB 1 81 ASN QD 5.200 . 5.200 3.310 2.943 3.465 . 0 0 "[ . 1 . 2 .]" 1
247 1 76 SER HB3 1 81 ASN QD 3.700 . 3.700 3.554 3.104 3.731 0.031 11 0 "[ . 1 . 2 .]" 1
248 1 76 SER HB2 1 81 ASN QD 4.000 . 4.000 3.959 3.653 4.110 0.110 11 0 "[ . 1 . 2 .]" 1
249 1 6 LYS HA 1 82 VAL MG1 5.000 . 5.000 5.048 5.003 5.093 0.093 4 0 "[ . 1 . 2 .]" 1
250 1 7 PHE HA 1 82 VAL HB 3.600 . 3.600 3.407 3.050 3.617 0.017 10 0 "[ . 1 . 2 .]" 1
251 1 7 PHE HA 1 82 VAL MG2 4.900 . 4.900 4.797 4.584 4.929 0.029 25 0 "[ . 1 . 2 .]" 1
252 1 7 PHE HA 1 82 VAL MG1 3.400 . 3.400 2.633 2.400 3.093 . 0 0 "[ . 1 . 2 .]" 1
253 1 8 GLY QA 1 82 VAL MG1 3.700 . 3.700 2.133 2.005 2.209 . 0 0 "[ . 1 . 2 .]" 1
254 1 8 GLY H 1 82 VAL MG1 3.500 . 3.500 1.945 1.750 2.284 0.050 4 0 "[ . 1 . 2 .]" 1
255 1 74 PHE HB3 1 82 VAL MG2 3.500 . 3.500 2.280 2.177 2.406 . 0 0 "[ . 1 . 2 .]" 1
256 1 74 PHE HB2 1 82 VAL MG2 3.800 . 3.800 3.646 3.529 3.758 . 0 0 "[ . 1 . 2 .]" 1
257 1 74 PHE QD 1 82 VAL H 5.500 . 5.500 4.147 3.958 4.346 . 0 0 "[ . 1 . 2 .]" 1
258 1 74 PHE QD 1 82 VAL MG2 3.500 . 3.500 2.278 2.227 2.447 . 0 0 "[ . 1 . 2 .]" 1
259 1 74 PHE QE 1 82 VAL MG2 3.800 . 3.800 3.685 3.574 3.773 . 0 0 "[ . 1 . 2 .]" 1
260 1 5 SER QB 1 83 ALA MB 2.800 . 2.800 2.067 1.908 2.250 . 0 0 "[ . 1 . 2 .]" 1
261 1 5 SER HB3 1 83 ALA MB 2.600 . 2.600 2.371 2.120 2.603 0.003 15 0 "[ . 1 . 2 .]" 1
262 1 5 SER HB2 1 83 ALA MB 2.500 . 2.500 2.292 2.093 2.514 0.014 6 0 "[ . 1 . 2 .]" 1
263 1 6 LYS H 1 83 ALA MB 3.800 . 3.800 3.202 2.777 3.684 . 0 0 "[ . 1 . 2 .]" 1
264 1 7 PHE HA 1 83 ALA MB 3.500 . 3.500 3.260 2.723 3.526 0.026 16 0 "[ . 1 . 2 .]" 1
265 1 7 PHE QD 1 83 ALA MB 3.500 . 3.500 2.996 2.528 3.300 . 0 0 "[ . 1 . 2 .]" 1
266 1 7 PHE QE 1 83 ALA MB 2.900 . 2.900 2.731 2.320 2.914 0.014 5 0 "[ . 1 . 2 .]" 1
267 1 7 PHE QD 1 84 GLY QA 3.600 . 3.600 2.397 2.225 2.705 . 0 0 "[ . 1 . 2 .]" 1
268 1 7 PHE QD 1 84 GLY HA2 4.500 . 4.500 3.937 3.655 4.294 . 0 0 "[ . 1 . 2 .]" 1
269 1 7 PHE QD 1 84 GLY HA3 4.500 . 4.500 2.418 2.240 2.735 . 0 0 "[ . 1 . 2 .]" 1
270 1 7 PHE QD 1 84 GLY H 4.000 . 4.000 3.295 2.528 3.987 . 0 0 "[ . 1 . 2 .]" 1
271 1 7 PHE QD 1 85 LEU HA 5.500 2.100 5.500 4.668 4.019 5.064 . 0 0 "[ . 1 . 2 .]" 1
272 1 8 GLY QA 1 85 LEU MD2 4.200 . 4.200 2.150 2.029 2.271 . 0 0 "[ . 1 . 2 .]" 1
273 1 9 PHE HA 1 85 LEU MD2 4.500 . 4.500 4.118 3.809 4.433 . 0 0 "[ . 1 . 2 .]" 1
274 1 10 ILE MD 1 85 LEU HB3 3.300 . 3.300 3.273 2.993 3.369 0.069 10 0 "[ . 1 . 2 .]" 1
275 1 70 ALA MB 1 85 LEU MD2 4.500 . 4.500 3.970 3.807 4.475 . 0 0 "[ . 1 . 2 .]" 1
276 1 70 ALA MB 1 85 LEU MD1 4.100 . 4.100 4.086 3.843 4.204 0.104 5 0 "[ . 1 . 2 .]" 1
277 1 85 LEU H 1 110 LYS QB 4.500 . 4.500 3.068 2.703 3.418 . 0 0 "[ . 1 . 2 .]" 1
278 1 85 LEU H 1 112 LEU HG 5.000 . 5.000 4.848 2.580 5.025 0.025 16 0 "[ . 1 . 2 .]" 1
279 1 85 LEU H 1 112 LEU MD1 3.500 . 3.500 2.902 2.391 3.797 0.297 5 0 "[ . 1 . 2 .]" 1
280 1 85 LEU H 1 112 LEU MD2 3.500 . 3.500 3.264 1.841 3.460 . 0 0 "[ . 1 . 2 .]" 1
281 1 7 PHE HB3 1 86 VAL MG2 3.900 . 3.900 2.674 2.300 3.135 . 0 0 "[ . 1 . 2 .]" 1
282 1 9 PHE HA 1 86 VAL HB 3.700 . 3.700 2.330 2.219 2.455 . 0 0 "[ . 1 . 2 .]" 1
283 1 9 PHE QD 1 86 VAL HB 4.000 . 4.000 2.718 2.440 2.997 . 0 0 "[ . 1 . 2 .]" 1
284 1 9 PHE QD 1 86 VAL H 5.500 . 5.500 4.525 4.305 4.798 . 0 0 "[ . 1 . 2 .]" 1
285 1 9 PHE HA 1 86 VAL MG2 4.400 . 4.400 3.709 2.830 3.968 . 0 0 "[ . 1 . 2 .]" 1
286 1 9 PHE HA 1 86 VAL MG1 3.800 . 3.800 3.643 3.305 3.913 0.113 10 0 "[ . 1 . 2 .]" 1
287 1 9 PHE QE 1 86 VAL MG1 4.700 . 4.700 2.356 2.175 2.664 . 0 0 "[ . 1 . 2 .]" 1
288 1 21 THR HA 1 86 VAL MG2 6.000 . 6.000 5.544 4.768 6.003 0.003 23 0 "[ . 1 . 2 .]" 1
289 1 9 PHE QD 1 88 ALA MB 3.500 . 3.500 3.125 2.801 3.364 . 0 0 "[ . 1 . 2 .]" 1
290 1 11 VAL HA 1 88 ALA MB 3.200 . 3.200 2.699 2.378 3.027 . 0 0 "[ . 1 . 2 .]" 1
291 1 11 VAL MG2 1 88 ALA MB 3.500 . 3.500 2.569 2.255 2.833 . 0 0 "[ . 1 . 2 .]" 1
292 1 12 ILE MD 1 93 PHE HB3 4.500 . 4.500 4.353 3.651 4.562 0.062 21 0 "[ . 1 . 2 .]" 1
293 1 12 ILE MD 1 93 PHE HB2 5.600 . 5.600 5.317 4.629 5.647 0.047 18 0 "[ . 1 . 2 .]" 1
294 1 12 ILE MG 1 93 PHE QD 5.000 . 5.000 3.251 2.314 4.052 . 0 0 "[ . 1 . 2 .]" 1
295 1 87 LEU HB2 1 95 THR H 4.700 . 4.700 4.762 4.606 4.845 0.145 3 0 "[ . 1 . 2 .]" 1
296 1 63 VAL MG1 1 97 LEU HA 3.500 . 3.500 3.356 2.566 3.524 0.024 22 0 "[ . 1 . 2 .]" 1
297 1 63 VAL MG2 1 97 LEU HA 4.700 . 4.700 4.557 3.768 4.719 0.019 14 0 "[ . 1 . 2 .]" 1
298 1 64 ARG HA 1 102 MET QG 4.500 . 4.500 3.043 2.280 4.534 0.034 24 0 "[ . 1 . 2 .]" 1
299 1 10 ILE MD 1 103 PHE HZ 3.500 . 3.500 2.880 2.125 3.511 0.011 17 0 "[ . 1 . 2 .]" 1
300 1 67 ALA HA 1 103 PHE QE 3.200 . 3.200 2.962 2.328 3.223 0.023 7 0 "[ . 1 . 2 .]" 1
301 1 70 ALA MB 1 103 PHE HA 5.500 . 5.500 5.438 5.228 5.532 0.032 20 0 "[ . 1 . 2 .]" 1
302 1 70 ALA MB 1 103 PHE QD 4.500 . 4.500 4.589 4.540 4.630 0.130 3 0 "[ . 1 . 2 .]" 1
303 1 70 ALA MB 1 103 PHE QE 3.400 . 3.400 3.320 3.205 3.459 0.059 10 0 "[ . 1 . 2 .]" 1
304 1 70 ALA MB 1 103 PHE HZ 3.800 . 3.800 3.373 2.872 3.774 . 0 0 "[ . 1 . 2 .]" 1
305 1 97 LEU HA 1 103 PHE QD 4.500 . 4.500 4.515 4.447 4.583 0.083 3 0 "[ . 1 . 2 .]" 1
306 1 97 LEU HA 1 103 PHE QE 5.400 . 5.400 5.341 4.961 5.486 0.086 10 0 "[ . 1 . 2 .]" 1
307 1 75 ILE MD 1 104 ASP HB2 4.600 . 4.600 4.535 4.349 4.649 0.049 16 0 "[ . 1 . 2 .]" 1
308 1 75 ILE MD 1 104 ASP HB3 4.100 . 4.100 3.995 3.806 4.114 0.014 14 0 "[ . 1 . 2 .]" 1
309 1 99 GLN QE 1 104 ASP H 4.900 . 4.900 5.084 4.949 5.196 0.296 7 0 "[ . 1 . 2 .]" 1
310 1 75 ILE MD 1 106 ARG HE 4.500 . 4.500 3.896 2.538 4.568 0.068 4 0 "[ . 1 . 2 .]" 1
311 1 75 ILE MD 1 106 ARG H 4.500 . 4.500 4.359 4.130 4.562 0.062 2 0 "[ . 1 . 2 .]" 1
312 1 80 VAL MG2 1 106 ARG HE 5.500 . 5.500 4.792 3.687 5.558 0.058 3 0 "[ . 1 . 2 .]" 1
313 1 70 ALA MB 1 107 LEU MD2 3.500 . 3.500 2.820 2.450 3.213 . 0 0 "[ . 1 . 2 .]" 1
314 1 70 ALA MB 1 107 LEU MD1 2.800 . 2.800 2.516 2.168 2.795 . 0 0 "[ . 1 . 2 .]" 1
315 1 71 VAL HA 1 107 LEU MD1 3.600 . 3.600 3.428 3.048 3.621 0.021 12 0 "[ . 1 . 2 .]" 1
316 1 74 PHE HA 1 107 LEU MD2 4.900 . 4.900 4.919 4.829 5.025 0.125 18 0 "[ . 1 . 2 .]" 1
317 1 74 PHE QB 1 107 LEU MD2 3.300 . 3.300 2.436 2.336 2.488 . 0 0 "[ . 1 . 2 .]" 1
318 1 74 PHE HB3 1 107 LEU MD2 3.500 . 3.500 3.123 2.986 3.369 . 0 0 "[ . 1 . 2 .]" 1
319 1 74 PHE HB2 1 107 LEU MD2 2.600 . 2.600 2.543 2.428 2.596 . 0 0 "[ . 1 . 2 .]" 1
320 1 80 VAL MG1 1 107 LEU HA 5.100 . 5.100 5.137 5.110 5.181 0.081 24 0 "[ . 1 . 2 .]" 1
321 1 85 LEU MD1 1 107 LEU MD2 3.500 . 3.500 1.950 1.852 2.252 . 0 0 "[ . 1 . 2 .]" 1
322 1 85 LEU MD2 1 107 LEU MD2 3.500 . 3.500 3.132 2.855 3.480 . 0 0 "[ . 1 . 2 .]" 1
323 1 103 PHE QD 1 108 GLN HA 4.200 . 4.200 3.546 3.062 4.063 . 0 0 "[ . 1 . 2 .]" 1
324 1 103 PHE QE 1 108 GLN HA 4.600 . 4.600 4.206 3.275 4.644 0.044 10 0 "[ . 1 . 2 .]" 1
325 1 85 LEU MD1 1 110 LYS HB3 3.900 . 3.900 2.854 2.285 3.382 . 0 0 "[ . 1 . 2 .]" 1
326 1 85 LEU MD1 1 110 LYS QB 3.400 . 3.400 2.296 2.100 2.601 . 0 0 "[ . 1 . 2 .]" 1
327 1 85 LEU HG 1 110 LYS QB 3.600 . 3.600 3.160 2.265 3.609 0.009 7 0 "[ . 1 . 2 .]" 1
328 1 85 LEU QB 1 111 VAL HA 3.600 . 3.600 3.056 2.756 3.283 . 0 0 "[ . 1 . 2 .]" 1
329 1 85 LEU HB2 1 111 VAL HA 3.500 . 3.500 3.172 2.805 3.447 . 0 0 "[ . 1 . 2 .]" 1
330 1 85 LEU HB3 1 111 VAL HA 4.100 . 4.100 4.024 3.803 4.149 0.049 23 0 "[ . 1 . 2 .]" 1
331 1 7 PHE QD 1 112 LEU MD1 4.100 . 4.100 3.976 3.550 4.124 0.024 1 0 "[ . 1 . 2 .]" 1
332 1 7 PHE QD 1 112 LEU MD2 3.500 . 3.500 2.492 2.185 3.310 . 0 0 "[ . 1 . 2 .]" 1
333 1 7 PHE QE 1 112 LEU MD2 3.500 . 3.500 2.575 2.234 3.329 . 0 0 "[ . 1 . 2 .]" 1
334 1 7 PHE QE 1 112 LEU MD1 4.500 . 4.500 3.776 3.195 4.306 . 0 0 "[ . 1 . 2 .]" 1
335 1 7 PHE HZ 1 112 LEU MD2 4.500 . 4.500 4.215 3.897 4.540 0.040 5 0 "[ . 1 . 2 .]" 1
336 1 84 GLY HA3 1 112 LEU QB 3.700 . 3.700 3.411 2.983 3.716 0.016 10 0 "[ . 1 . 2 .]" 1
337 1 84 GLY H 1 112 LEU MD2 4.800 . 4.800 4.550 4.272 4.792 . 0 0 "[ . 1 . 2 .]" 1
338 1 86 VAL HA 1 112 LEU HB2 4.500 . 4.500 4.301 4.034 4.488 . 0 0 "[ . 1 . 2 .]" 1
339 1 86 VAL HA 1 112 LEU QB 4.500 . 4.500 3.654 3.370 3.821 . 0 0 "[ . 1 . 2 .]" 1
340 1 86 VAL HA 1 113 LYS QB 4.500 . 4.500 3.267 2.787 3.563 . 0 0 "[ . 1 . 2 .]" 1
341 1 86 VAL MG2 1 113 LYS H 4.100 . 4.100 3.465 3.149 4.092 . 0 0 "[ . 1 . 2 .]" 1
342 1 87 LEU HB3 1 114 LEU HA 4.600 . 4.600 4.542 4.245 4.639 0.039 2 0 "[ . 1 . 2 .]" 1
343 1 87 LEU HB2 1 114 LEU HA 3.500 . 3.500 2.955 2.651 3.162 . 0 0 "[ . 1 . 2 .]" 1
344 1 87 LEU QB 1 114 LEU HA 4.300 . 4.300 2.919 2.626 3.111 . 0 0 "[ . 1 . 2 .]" 1
345 1 95 THR H 1 114 LEU HG 5.200 . 5.200 5.211 4.874 5.438 0.238 5 0 "[ . 1 . 2 .]" 1
346 1 9 PHE QD 1 115 VAL HB 6.200 . 6.200 6.108 5.690 6.249 0.049 18 0 "[ . 1 . 2 .]" 1
347 1 86 VAL HA 1 115 VAL QG 5.000 . 5.000 4.771 4.472 4.993 . 0 0 "[ . 1 . 2 .]" 1
348 1 88 ALA HA 1 115 VAL HB 4.500 . 4.500 4.237 3.959 4.427 . 0 0 "[ . 1 . 2 .]" 1
349 1 89 GLY H 1 115 VAL HB 5.600 . 5.600 5.594 5.343 5.680 0.080 5 0 "[ . 1 . 2 .]" 1
350 1 88 ALA HA 1 117 ILE MD 5.000 . 5.000 4.933 4.230 5.053 0.053 18 0 "[ . 1 . 2 .]" 1
351 1 88 ALA MB 1 117 ILE H 5.500 . 5.500 4.704 4.349 4.928 . 0 0 "[ . 1 . 2 .]" 1
352 1 89 GLY H 1 117 ILE MD 3.900 . 3.900 3.875 3.425 3.952 0.052 16 0 "[ . 1 . 2 .]" 1
353 1 89 GLY H 1 117 ILE MG 4.500 . 4.500 4.211 4.023 4.512 0.012 16 0 "[ . 1 . 2 .]" 1
354 1 11 VAL MG1 1 120 GLY HA2 3.600 . 3.600 3.652 3.472 3.710 0.110 6 0 "[ . 1 . 2 .]" 1
355 1 11 VAL MG1 1 120 GLY HA3 4.500 . 4.500 4.387 4.138 4.482 . 0 0 "[ . 1 . 2 .]" 1
356 1 11 VAL MG1 1 120 GLY QA 3.500 . 3.500 3.481 3.303 3.540 0.040 6 0 "[ . 1 . 2 .]" 1
357 1 18 LEU HB2 1 121 GLY HA3 4.500 . 4.500 3.073 2.567 3.389 . 0 0 "[ . 1 . 2 .]" 1
358 1 18 LEU HB2 1 121 GLY HA2 4.600 . 4.600 4.078 3.639 4.367 . 0 0 "[ . 1 . 2 .]" 1
359 1 18 LEU HB3 1 121 GLY HA2 4.600 . 4.600 3.096 2.715 3.363 . 0 0 "[ . 1 . 2 .]" 1
360 1 18 LEU HB3 1 121 GLY HA3 4.500 . 4.500 2.901 2.552 3.200 . 0 0 "[ . 1 . 2 .]" 1
361 1 18 LEU QB 1 121 GLY QA 4.500 . 4.500 2.482 2.188 2.694 . 0 0 "[ . 1 . 2 .]" 1
362 1 18 LEU MD1 1 121 GLY HA2 3.700 . 3.700 3.631 3.223 3.739 0.039 6 0 "[ . 1 . 2 .]" 1
363 1 18 LEU MD1 1 121 GLY HA3 3.500 . 3.500 2.618 2.275 2.933 . 0 0 "[ . 1 . 2 .]" 1
364 1 18 LEU MD2 1 121 GLY HA3 4.500 . 4.500 3.356 2.953 3.729 . 0 0 "[ . 1 . 2 .]" 1
365 1 18 LEU MD1 1 121 GLY QA 3.500 . 3.500 2.560 2.231 2.832 . 0 0 "[ . 1 . 2 .]" 1
366 1 18 LEU MD2 1 122 GLU HA 6.000 . 6.000 3.639 3.198 3.968 . 0 0 "[ . 1 . 2 .]" 1
367 1 18 LEU MD1 1 122 GLU HA 3.300 . 3.300 3.167 2.625 3.313 0.013 2 0 "[ . 1 . 2 .]" 1
368 1 18 LEU MD1 1 122 GLU HB2 3.500 . 3.500 3.288 3.015 3.572 0.072 16 0 "[ . 1 . 2 .]" 1
369 1 18 LEU MD1 1 122 GLU HB3 4.000 . 4.000 4.022 3.780 4.128 0.128 19 0 "[ . 1 . 2 .]" 1
370 1 18 LEU MD2 1 122 GLU H 4.500 . 4.500 3.763 3.280 4.430 . 0 0 "[ . 1 . 2 .]" 1
371 1 18 LEU MD1 1 122 GLU H 3.500 . 3.500 2.402 1.767 3.116 . 0 0 "[ . 1 . 2 .]" 1
372 1 119 TYR QB 1 124 GLY QA 4.800 . 4.800 4.346 4.175 4.630 . 0 0 "[ . 1 . 2 .]" 1
373 1 9 PHE QB 1 125 PHE QE 3.500 . 3.500 2.173 2.080 2.265 . 0 0 "[ . 1 . 2 .]" 1
374 1 11 VAL MG1 1 125 PHE HA 4.500 . 4.500 4.174 3.904 4.510 0.010 6 0 "[ . 1 . 2 .]" 1
375 1 11 VAL MG2 1 125 PHE HA 3.500 . 3.500 3.144 2.672 3.370 . 0 0 "[ . 1 . 2 .]" 1
376 1 11 VAL MG2 1 125 PHE QB 4.500 . 4.500 2.325 2.183 2.609 . 0 0 "[ . 1 . 2 .]" 1
377 1 11 VAL MG2 1 125 PHE HB2 3.500 . 3.500 2.343 2.199 2.635 . 0 0 "[ . 1 . 2 .]" 1
378 1 11 VAL MG2 1 125 PHE QD 3.300 . 3.300 2.506 2.320 2.595 . 0 0 "[ . 1 . 2 .]" 1
379 1 11 VAL MG2 1 125 PHE QE 3.600 . 3.600 3.688 3.614 3.756 0.156 16 0 "[ . 1 . 2 .]" 1
380 1 18 LEU MD2 1 125 PHE HA 4.500 . 4.500 4.437 4.210 4.546 0.046 20 0 "[ . 1 . 2 .]" 1
381 1 18 LEU MD2 1 125 PHE QB 3.500 . 3.500 2.517 2.355 2.642 . 0 0 "[ . 1 . 2 .]" 1
382 1 18 LEU MD2 1 125 PHE HB3 3.700 . 3.700 3.353 3.065 3.542 . 0 0 "[ . 1 . 2 .]" 1
383 1 18 LEU MD2 1 125 PHE HB2 3.500 . 3.500 2.602 2.404 2.726 . 0 0 "[ . 1 . 2 .]" 1
384 1 18 LEU MD2 1 125 PHE QD 3.500 . 3.500 3.017 2.829 3.259 . 0 0 "[ . 1 . 2 .]" 1
385 1 18 LEU MD2 1 125 PHE QE 4.500 . 4.500 3.373 2.952 3.734 . 0 0 "[ . 1 . 2 .]" 1
386 1 20 GLY QA 1 125 PHE QE 4.200 . 4.200 2.553 2.274 2.913 . 0 0 "[ . 1 . 2 .]" 1
387 1 20 GLY HA2 1 125 PHE QE 4.500 . 4.500 4.025 3.868 4.293 . 0 0 "[ . 1 . 2 .]" 1
388 1 20 GLY HA3 1 125 PHE QE 4.500 . 4.500 2.583 2.290 2.968 . 0 0 "[ . 1 . 2 .]" 1
389 1 20 GLY QA 1 125 PHE HZ 3.800 . 3.800 2.363 2.227 2.511 . 0 0 "[ . 1 . 2 .]" 1
390 1 20 GLY HA3 1 125 PHE HZ 4.500 . 4.500 2.403 2.265 2.558 . 0 0 "[ . 1 . 2 .]" 1
391 1 20 GLY HA2 1 125 PHE HZ 4.500 . 4.500 3.506 3.296 3.741 . 0 0 "[ . 1 . 2 .]" 1
392 1 21 THR H 1 125 PHE QE 4.200 . 4.200 3.527 3.192 3.867 . 0 0 "[ . 1 . 2 .]" 1
393 1 21 THR H 1 125 PHE HZ 3.400 . 3.400 2.430 2.120 2.796 . 0 0 "[ . 1 . 2 .]" 1
394 1 27 ARG QD 1 125 PHE QD 4.500 . 4.500 3.468 3.201 3.814 . 0 0 "[ . 1 . 2 .]" 1
395 1 27 ARG HD3 1 125 PHE QD 3.800 . 3.800 3.600 3.287 3.901 0.101 20 0 "[ . 1 . 2 .]" 1
396 1 27 ARG HD2 1 125 PHE QD 6.000 . 6.000 4.585 4.030 5.387 . 0 0 "[ . 1 . 2 .]" 1
397 1 27 ARG QD 1 125 PHE QE 4.300 . 4.300 2.469 2.140 3.163 . 0 0 "[ . 1 . 2 .]" 1
398 1 27 ARG HD2 1 125 PHE QE 6.000 . 6.000 3.141 2.299 4.473 . 0 0 "[ . 1 . 2 .]" 1
399 1 27 ARG HD3 1 125 PHE QE 3.500 . 3.500 2.679 2.316 3.240 . 0 0 "[ . 1 . 2 .]" 1
400 1 27 ARG HE 1 125 PHE QE 4.500 . 4.500 3.189 2.060 4.236 . 0 0 "[ . 1 . 2 .]" 1
401 1 28 GLU H 1 125 PHE QD 6.600 . 6.600 6.489 6.196 6.667 0.067 4 0 "[ . 1 . 2 .]" 1
402 1 28 GLU H 1 125 PHE QE 5.500 . 5.500 4.468 4.149 4.762 . 0 0 "[ . 1 . 2 .]" 1
403 1 28 GLU H 1 125 PHE HZ 3.800 . 3.800 3.651 3.365 3.897 0.097 3 0 "[ . 1 . 2 .]" 1
404 1 29 VAL HA 1 125 PHE QE 4.000 . 4.000 3.785 3.103 4.021 0.021 23 0 "[ . 1 . 2 .]" 1
405 1 120 GLY QA 1 125 PHE QB 5.900 . 5.900 5.840 5.681 6.007 0.107 14 0 "[ . 1 . 2 .]" 1
406 1 118 SER H 1 127 GLN HE21 4.500 . 4.500 4.399 4.260 4.526 0.026 22 0 "[ . 1 . 2 .]" 1
407 1 118 SER H 1 127 GLN HE22 6.000 . 6.000 6.005 5.874 6.035 0.035 16 0 "[ . 1 . 2 .]" 1
408 1 22 LEU HA 1 129 ILE MD 5.200 . 5.200 4.041 3.477 4.802 . 0 0 "[ . 1 . 2 .]" 1
409 1 22 LEU QB 1 129 ILE MD 4.600 . 4.600 3.774 3.401 4.152 . 0 0 "[ . 1 . 2 .]" 1
410 1 27 ARG HA 1 129 ILE MD 5.000 . 5.000 3.974 3.421 4.996 . 0 0 "[ . 1 . 2 .]" 1
411 1 27 ARG QB 1 129 ILE MD 4.500 . 4.500 2.310 1.929 3.558 0.071 25 0 "[ . 1 . 2 .]" 1
412 1 27 ARG QD 1 129 ILE MD 4.100 2.700 4.100 2.649 2.568 3.155 0.132 4 0 "[ . 1 . 2 .]" 1
413 1 27 ARG HD3 1 129 ILE MD 3.500 . 3.500 3.016 2.654 3.645 0.145 7 0 "[ . 1 . 2 .]" 1
414 1 27 ARG HD2 1 129 ILE MD 3.500 . 3.500 3.234 2.634 3.614 0.114 18 0 "[ . 1 . 2 .]" 1
415 1 27 ARG HE 1 129 ILE MD 4.500 . 4.500 3.790 1.810 4.617 0.117 1 0 "[ . 1 . 2 .]" 1
416 1 27 ARG QG 1 129 ILE MD 4.500 . 4.500 3.143 1.934 4.435 . 0 0 "[ . 1 . 2 .]" 1
417 1 22 LEU MD2 1 133 THR H 5.500 . 5.500 5.454 4.575 5.591 0.091 20 0 "[ . 1 . 2 .]" 1
418 1 7 PHE QD 1 136 LEU MD2 4.500 . 4.500 3.280 2.364 4.530 0.030 25 0 "[ . 1 . 2 .]" 1
419 1 7 PHE QE 1 136 LEU MD2 4.500 . 4.500 3.625 2.671 4.506 0.006 25 0 "[ . 1 . 2 .]" 1
420 1 7 PHE HZ 1 136 LEU MD2 6.000 . 6.000 4.308 3.266 5.207 . 0 0 "[ . 1 . 2 .]" 1
421 1 112 LEU MD2 1 136 LEU MD2 3.500 . 3.500 2.444 1.954 3.572 0.072 5 0 "[ . 1 . 2 .]" 1
422 1 7 PHE H 1 21 THR HB 5.500 . 5.500 5.056 4.504 5.516 0.016 10 0 "[ . 1 . 2 .]" 1
423 1 7 PHE H 1 82 VAL MG1 5.500 . 5.500 4.078 4.001 4.159 . 0 0 "[ . 1 . 2 .]" 1
424 1 9 PHE H 1 21 THR HB 5.800 . 5.800 5.629 4.965 5.882 0.082 8 0 "[ . 1 . 2 .]" 1
425 1 9 PHE H 1 21 THR MG 4.500 . 4.500 3.794 3.448 4.344 . 0 0 "[ . 1 . 2 .]" 1
426 1 9 PHE H 1 74 PHE HZ 3.500 . 3.500 2.541 2.297 3.503 0.003 10 0 "[ . 1 . 2 .]" 1
427 1 76 SER H 1 80 VAL H 5.500 . 5.500 4.494 4.408 4.588 . 0 0 "[ . 1 . 2 .]" 1
428 1 104 ASP H 1 108 GLN H 4.300 . 4.300 4.511 4.334 4.604 0.304 24 0 "[ . 1 . 2 .]" 1
429 1 76 SER H 1 79 LYS H 3.600 . 3.600 2.827 2.717 3.121 . 0 0 "[ . 1 . 2 .]" 1
430 1 106 ARG H 1 109 SER H 5.600 . 5.600 5.317 4.957 5.681 0.081 13 0 "[ . 1 . 2 .]" 1
431 1 107 LEU H 1 110 LYS H 5.300 . 5.300 5.189 4.920 5.386 0.086 5 0 "[ . 1 . 2 .]" 1
432 1 125 PHE H 1 128 ALA H 5.500 . 5.500 4.901 4.732 5.163 . 0 0 "[ . 1 . 2 .]" 1
433 1 127 GLN H 1 130 GLU H 5.500 . 5.500 4.908 4.723 5.036 . 0 0 "[ . 1 . 2 .]" 1
434 1 13 ASP H 1 16 GLY H 4.900 . 4.900 4.892 4.712 4.981 0.081 8 0 "[ . 1 . 2 .]" 1
435 1 23 GLN H 1 26 THR H 4.500 . 4.500 4.057 3.846 4.327 . 0 0 "[ . 1 . 2 .]" 1
436 1 60 HIS H 1 63 VAL H 4.800 . 4.800 4.548 4.480 4.627 . 0 0 "[ . 1 . 2 .]" 1
437 1 53 ARG H 1 55 ARG H 4.700 . 4.700 4.324 4.040 4.494 . 0 0 "[ . 1 . 2 .]" 1
438 1 61 ASN H 1 63 VAL H 4.500 . 4.500 4.126 4.068 4.192 . 0 0 "[ . 1 . 2 .]" 1
439 1 72 GLN H 1 74 PHE H 4.500 . 4.500 4.008 3.906 4.172 . 0 0 "[ . 1 . 2 .]" 1
440 1 92 ASP H 1 94 LYS H 4.800 . 4.800 4.768 4.638 4.839 0.039 17 0 "[ . 1 . 2 .]" 1
441 1 96 GLU H 1 98 SER H 5.500 . 5.500 4.446 4.216 4.583 . 0 0 "[ . 1 . 2 .]" 1
442 1 97 LEU H 1 99 GLN H 6.200 . 6.200 5.817 5.677 5.912 . 0 0 "[ . 1 . 2 .]" 1
443 1 101 ASP H 1 103 PHE H 5.500 . 5.500 4.320 4.143 4.493 . 0 0 "[ . 1 . 2 .]" 1
444 1 105 GLN H 1 107 LEU H 5.500 . 5.500 4.420 4.245 4.654 . 0 0 "[ . 1 . 2 .]" 1
445 1 106 ARG H 1 108 GLN H 4.800 . 4.800 4.368 4.005 4.745 . 0 0 "[ . 1 . 2 .]" 1
446 1 107 LEU H 1 109 SER H 4.500 . 4.500 4.109 3.921 4.363 . 0 0 "[ . 1 . 2 .]" 1
447 1 108 GLN H 1 110 LYS H 5.000 . 5.000 4.020 3.831 4.258 . 0 0 "[ . 1 . 2 .]" 1
448 1 109 SER H 1 111 VAL H 4.900 . 4.900 4.230 4.051 4.497 . 0 0 "[ . 1 . 2 .]" 1
449 1 123 ASN H 1 125 PHE H 4.500 . 4.500 4.013 3.012 4.160 . 0 0 "[ . 1 . 2 .]" 1
450 1 124 GLY H 1 126 ASN H 4.200 . 4.200 4.156 4.057 4.246 0.046 23 0 "[ . 1 . 2 .]" 1
451 1 125 PHE H 1 127 GLN H 4.900 . 4.900 4.274 4.110 4.465 . 0 0 "[ . 1 . 2 .]" 1
452 1 127 GLN H 1 129 ILE H 4.500 . 4.500 4.289 4.155 4.520 0.020 3 0 "[ . 1 . 2 .]" 1
453 1 128 ALA H 1 130 GLU H 4.500 . 4.500 4.213 4.067 4.318 . 0 0 "[ . 1 . 2 .]" 1
454 1 129 ILE H 1 131 LEU H 5.500 . 5.500 4.291 4.133 4.563 . 0 0 "[ . 1 . 2 .]" 1
455 1 131 LEU H 1 133 THR H 5.300 . 5.300 4.949 4.125 5.274 . 0 0 "[ . 1 . 2 .]" 1
456 1 133 THR H 1 135 VAL H 3.500 . 3.500 3.427 2.586 3.793 0.293 16 0 "[ . 1 . 2 .]" 1
457 1 134 GLU H 1 136 LEU H 5.900 2.100 5.900 4.039 3.744 4.454 . 0 0 "[ . 1 . 2 .]" 1
458 1 13 ASP H 1 15 SER H 5.500 . 5.500 4.979 3.986 5.239 . 0 0 "[ . 1 . 2 .]" 1
459 1 24 GLY H 1 26 THR H 4.800 . 4.800 4.614 4.173 4.748 . 0 0 "[ . 1 . 2 .]" 1
460 1 48 ALA H 1 50 ARG H 4.500 . 4.500 4.099 3.976 4.336 . 0 0 "[ . 1 . 2 .]" 1
461 1 93 PHE HA 1 97 LEU H 5.500 . 5.500 3.974 3.631 4.674 . 0 0 "[ . 1 . 2 .]" 1
462 1 13 ASP H 1 17 ALA HA 4.500 . 4.500 3.066 2.458 3.482 . 0 0 "[ . 1 . 2 .]" 1
463 1 23 GLN H 1 27 ARG HA 3.500 . 3.500 3.025 2.573 3.446 . 0 0 "[ . 1 . 2 .]" 1
464 1 51 PHE HA 1 55 ARG H 5.500 . 5.500 4.185 3.663 4.490 . 0 0 "[ . 1 . 2 .]" 1
465 1 57 GLU HA 1 61 ASN H 6.200 . 6.200 6.261 6.201 6.314 0.114 24 0 "[ . 1 . 2 .]" 1
466 1 71 VAL HA 1 75 ILE H 3.500 . 3.500 3.494 2.800 3.580 0.080 5 0 "[ . 1 . 2 .]" 1
467 1 72 GLN HA 1 75 ILE H 4.600 . 4.600 3.713 3.615 4.333 . 0 0 "[ . 1 . 2 .]" 1
468 1 93 PHE HA 1 96 GLU H 3.500 . 3.500 3.235 3.044 3.516 0.016 24 0 "[ . 1 . 2 .]" 1
469 1 94 LYS HA 1 97 LEU H 3.500 . 3.500 3.086 2.608 3.489 . 0 0 "[ . 1 . 2 .]" 1
470 1 96 GLU HA 1 99 GLN H 4.700 . 4.700 4.824 4.724 4.899 0.199 13 0 "[ . 1 . 2 .]" 1
471 1 104 ASP HA 1 107 LEU H 5.500 2.100 5.500 4.654 4.474 5.077 . 0 0 "[ . 1 . 2 .]" 1
472 1 105 GLN HA 1 108 GLN H 4.500 . 4.500 4.140 3.799 4.535 0.035 10 0 "[ . 1 . 2 .]" 1
473 1 108 GLN HA 1 111 VAL H 4.500 . 4.500 3.947 3.551 4.519 0.019 14 0 "[ . 1 . 2 .]" 1
474 1 123 ASN HA 1 126 ASN H 3.500 . 3.500 3.331 3.172 3.517 0.017 20 0 "[ . 1 . 2 .]" 1
475 1 125 PHE HA 1 128 ALA H 4.500 . 4.500 3.818 3.641 4.059 . 0 0 "[ . 1 . 2 .]" 1
476 1 127 GLN HA 1 130 GLU H 3.500 . 3.500 3.472 3.319 3.556 0.056 22 0 "[ . 1 . 2 .]" 1
477 1 52 ALA HA 1 55 ARG H 4.500 . 4.500 3.696 3.394 4.026 . 0 0 "[ . 1 . 2 .]" 1
478 1 55 ARG HA 1 58 LYS H 4.500 . 4.500 3.114 2.774 3.299 . 0 0 "[ . 1 . 2 .]" 1
479 1 132 SER HA 1 135 VAL H 4.500 . 4.500 3.328 2.914 3.872 . 0 0 "[ . 1 . 2 .]" 1
480 1 66 VAL HA 1 69 THR H 4.500 . 4.500 3.271 3.112 3.397 . 0 0 "[ . 1 . 2 .]" 1
481 1 71 VAL HA 1 74 PHE H 4.500 . 4.500 3.216 3.098 3.442 . 0 0 "[ . 1 . 2 .]" 1
482 1 90 SER HA 1 92 ASP H 4.500 . 4.500 3.390 3.181 3.668 . 0 0 "[ . 1 . 2 .]" 1
483 1 97 LEU HA 1 99 GLN H 6.100 . 6.100 5.681 5.563 5.804 . 0 0 "[ . 1 . 2 .]" 1
484 1 100 SER HA 1 102 MET H 4.500 . 4.500 4.352 4.117 4.628 0.128 21 0 "[ . 1 . 2 .]" 1
485 1 101 ASP HA 1 103 PHE H 5.500 . 5.500 5.041 4.734 5.375 . 0 0 "[ . 1 . 2 .]" 1
486 1 104 ASP HA 1 106 ARG H 4.500 . 4.500 4.019 3.824 4.350 . 0 0 "[ . 1 . 2 .]" 1
487 1 109 SER HA 1 111 VAL H 4.500 . 4.500 3.535 3.397 3.702 . 0 0 "[ . 1 . 2 .]" 1
488 1 131 LEU HA 1 133 THR H 4.700 . 4.700 4.574 4.202 4.770 0.070 15 0 "[ . 1 . 2 .]" 1
489 1 132 SER HA 1 134 GLU H 4.500 . 4.500 3.661 3.056 4.505 0.005 12 0 "[ . 1 . 2 .]" 1
490 1 29 VAL HA 1 31 HIS H 4.500 . 4.500 4.228 3.801 4.497 . 0 0 "[ . 1 . 2 .]" 1
491 1 72 GLN HA 1 74 PHE H 5.500 . 5.500 4.476 4.430 4.540 . 0 0 "[ . 1 . 2 .]" 1
492 1 73 LEU HA 1 75 ILE H 5.500 . 5.500 4.572 4.445 5.453 . 0 0 "[ . 1 . 2 .]" 1
493 1 76 SER HA 1 78 ASP H 4.500 . 4.500 4.700 4.673 4.731 0.231 18 0 "[ . 1 . 2 .]" 1
494 1 82 VAL HA 1 84 GLY H 4.500 . 4.500 3.546 3.375 3.810 . 0 0 "[ . 1 . 2 .]" 1
495 1 58 LYS HB3 1 61 ASN H 4.500 . 4.500 4.441 4.099 4.546 0.046 4 0 "[ . 1 . 2 .]" 1
496 1 58 LYS HB2 1 61 ASN H 5.500 . 5.500 5.349 5.101 5.485 . 0 0 "[ . 1 . 2 .]" 1
497 1 60 HIS H 1 63 VAL HB 4.900 . 4.900 4.878 4.793 4.925 0.025 20 0 "[ . 1 . 2 .]" 1
498 1 80 VAL HB 1 82 VAL H 4.500 . 4.500 4.111 3.967 4.319 . 0 0 "[ . 1 . 2 .]" 1
499 1 82 VAL HB 1 84 GLY H 3.500 . 3.500 1.944 1.774 2.147 . 0 0 "[ . 1 . 2 .]" 1
500 1 97 LEU QB 1 99 GLN H 5.900 . 5.900 5.657 5.545 5.760 . 0 0 "[ . 1 . 2 .]" 1
501 1 99 GLN QB 1 101 ASP H 5.500 . 5.500 4.483 4.151 4.929 . 0 0 "[ . 1 . 2 .]" 1
502 1 99 GLN QB 1 102 MET H 5.500 . 5.500 4.347 4.174 4.549 . 0 0 "[ . 1 . 2 .]" 1
503 1 100 SER QB 1 103 PHE H 5.400 . 5.400 5.356 5.195 5.464 0.064 19 0 "[ . 1 . 2 .]" 1
504 1 104 ASP QB 1 106 ARG H 4.500 . 4.500 2.914 2.784 2.982 . 0 0 "[ . 1 . 2 .]" 1
505 1 104 ASP QB 1 107 LEU H 4.500 . 4.500 2.045 1.806 2.430 . 0 0 "[ . 1 . 2 .]" 1
506 1 104 ASP HB2 1 107 LEU H 4.500 . 4.500 3.711 3.496 4.033 . 0 0 "[ . 1 . 2 .]" 1
507 1 104 ASP HB3 1 107 LEU H 3.500 . 3.500 2.055 1.812 2.450 . 0 0 "[ . 1 . 2 .]" 1
508 1 107 LEU HB3 1 109 SER H 5.500 . 5.500 5.301 5.145 5.455 . 0 0 "[ . 1 . 2 .]" 1
509 1 109 SER H 1 111 VAL HB 5.100 . 5.100 5.102 4.977 5.153 0.053 18 0 "[ . 1 . 2 .]" 1
510 1 117 ILE HB 1 119 TYR H 3.500 . 3.500 2.946 2.860 3.078 . 0 0 "[ . 1 . 2 .]" 1
511 1 119 TYR QB 1 121 GLY H 5.800 . 5.800 5.798 5.215 5.897 0.097 14 0 "[ . 1 . 2 .]" 1
512 1 132 SER HB3 1 135 VAL H 5.600 . 5.600 5.322 5.021 5.647 0.047 19 0 "[ . 1 . 2 .]" 1
513 1 39 LYS H 1 41 HIS QB 6.700 . 6.700 6.685 6.139 6.993 0.293 10 0 "[ . 1 . 2 .]" 1
514 1 10 ILE HB 1 12 ILE H 5.800 . 5.800 5.591 5.432 5.684 . 0 0 "[ . 1 . 2 .]" 1
515 1 23 GLN H 1 26 THR HB 4.500 . 4.500 4.348 3.778 4.538 0.038 25 0 "[ . 1 . 2 .]" 1
516 1 13 ASP HB3 1 15 SER H 5.500 . 5.500 3.204 2.888 3.680 . 0 0 "[ . 1 . 2 .]" 1
517 1 13 ASP HB2 1 15 SER H 5.500 . 5.500 3.696 2.874 4.061 . 0 0 "[ . 1 . 2 .]" 1
518 1 51 PHE QB 1 55 ARG H 5.500 . 5.500 5.410 5.107 5.536 0.036 6 0 "[ . 1 . 2 .]" 1
519 1 55 ARG HA 1 58 LYS HB3 5.500 . 5.500 3.947 3.653 4.488 . 0 0 "[ . 1 . 2 .]" 1
520 1 58 LYS HA 1 61 ASN QB 3.500 . 3.500 3.387 3.078 3.513 0.013 1 0 "[ . 1 . 2 .]" 1
521 1 58 LYS HA 1 61 ASN HB3 4.900 . 4.900 4.861 4.572 4.949 0.049 1 0 "[ . 1 . 2 .]" 1
522 1 59 ARG HA 1 62 TYR HB2 3.700 . 3.700 3.593 3.436 3.714 0.014 1 0 "[ . 1 . 2 .]" 1
523 1 59 ARG HA 1 62 TYR HB3 4.500 . 4.500 2.269 2.212 2.317 . 0 0 "[ . 1 . 2 .]" 1
524 1 59 ARG HA 1 62 TYR QB 3.800 . 3.800 2.246 2.193 2.290 . 0 0 "[ . 1 . 2 .]" 1
525 1 60 HIS HA 1 63 VAL HB 3.200 . 3.200 2.393 2.319 2.495 . 0 0 "[ . 1 . 2 .]" 1
526 1 61 ASN HA 1 64 ARG QB 3.700 . 3.700 2.792 2.614 2.953 . 0 0 "[ . 1 . 2 .]" 1
527 1 61 ASN HA 1 64 ARG HB2 3.500 . 3.500 3.389 3.111 3.517 0.017 6 0 "[ . 1 . 2 .]" 1
528 1 61 ASN HA 1 64 ARG HB3 3.500 . 3.500 2.999 2.716 3.499 . 0 0 "[ . 1 . 2 .]" 1
529 1 62 TYR HA 1 65 LYS QB 3.800 . 3.800 2.532 2.287 2.762 . 0 0 "[ . 1 . 2 .]" 1
530 1 62 TYR HA 1 65 LYS HB3 3.500 . 3.500 3.020 2.656 3.515 0.015 20 0 "[ . 1 . 2 .]" 1
531 1 62 TYR HA 1 65 LYS HB2 3.500 . 3.500 2.838 2.317 3.270 . 0 0 "[ . 1 . 2 .]" 1
532 1 63 VAL HA 1 66 VAL HB 3.200 . 3.200 2.568 2.294 2.813 . 0 0 "[ . 1 . 2 .]" 1
533 1 64 ARG HA 1 67 ALA MB 3.500 . 3.500 2.334 2.224 2.561 . 0 0 "[ . 1 . 2 .]" 1
534 1 66 VAL HA 1 69 THR HB 3.500 . 3.500 2.395 2.319 2.656 . 0 0 "[ . 1 . 2 .]" 1
535 1 67 ALA HA 1 70 ALA MB 2.700 . 2.700 2.550 2.326 2.722 0.022 10 0 "[ . 1 . 2 .]" 1
536 1 69 THR HA 1 72 GLN HB3 4.700 . 4.700 4.638 4.318 4.725 0.025 4 0 "[ . 1 . 2 .]" 1
537 1 69 THR HA 1 72 GLN HB2 5.500 . 5.500 2.998 2.736 3.102 . 0 0 "[ . 1 . 2 .]" 1
538 1 69 THR HA 1 72 GLN QB 3.500 . 3.500 2.963 2.708 3.062 . 0 0 "[ . 1 . 2 .]" 1
539 1 70 ALA HA 1 73 LEU QB 3.500 . 3.500 2.328 2.236 2.486 . 0 0 "[ . 1 . 2 .]" 1
540 1 71 VAL HA 1 75 ILE HB 4.500 . 4.500 3.623 3.454 3.837 . 0 0 "[ . 1 . 2 .]" 1
541 1 92 ASP HA 1 95 THR HB 4.700 . 4.700 4.104 3.699 4.675 . 0 0 "[ . 1 . 2 .]" 1
542 1 94 LYS HA 1 97 LEU QB 3.500 . 3.500 2.159 2.096 2.249 . 0 0 "[ . 1 . 2 .]" 1
543 1 96 GLU HA 1 99 GLN QB 4.500 . 4.500 3.856 3.698 4.165 . 0 0 "[ . 1 . 2 .]" 1
544 1 109 SER HA 1 111 VAL HB 5.000 . 5.000 4.909 4.754 5.005 0.005 5 0 "[ . 1 . 2 .]" 1
545 1 122 GLU HA 1 125 PHE QB 3.500 . 3.500 2.234 2.148 2.493 . 0 0 "[ . 1 . 2 .]" 1
546 1 122 GLU HA 1 125 PHE HB2 3.700 . 3.700 3.505 3.358 3.651 . 0 0 "[ . 1 . 2 .]" 1
547 1 122 GLU HA 1 125 PHE HB3 3.500 . 3.500 2.261 2.172 2.543 . 0 0 "[ . 1 . 2 .]" 1
548 1 125 PHE HA 1 128 ALA MB 3.500 . 3.500 3.161 2.674 3.508 0.008 3 0 "[ . 1 . 2 .]" 1
549 1 126 ASN HA 1 129 ILE HB 3.500 . 3.500 3.095 2.819 3.563 0.063 15 0 "[ . 1 . 2 .]" 1
550 1 128 ALA HA 1 131 LEU QB 3.500 . 3.500 2.587 2.313 2.957 . 0 0 "[ . 1 . 2 .]" 1
551 1 128 ALA HA 1 131 LEU HB2 3.500 . 3.500 2.611 2.334 2.992 . 0 0 "[ . 1 . 2 .]" 1
552 1 128 ALA HA 1 131 LEU HB3 4.600 . 4.600 4.209 3.778 4.633 0.033 22 0 "[ . 1 . 2 .]" 1
553 1 129 ILE HA 1 132 SER QB 4.500 . 4.500 3.126 2.255 3.500 . 0 0 "[ . 1 . 2 .]" 1
554 1 129 ILE HA 1 132 SER HB3 3.500 . 3.500 3.196 2.318 3.583 0.083 19 0 "[ . 1 . 2 .]" 1
555 1 130 GLU HA 1 133 THR HB 4.500 . 4.500 2.895 2.357 4.259 . 0 0 "[ . 1 . 2 .]" 1
556 1 133 THR HA 1 136 LEU QB 4.500 . 4.500 3.258 2.221 3.634 . 0 0 "[ . 1 . 2 .]" 1
557 1 133 THR HA 1 136 LEU HB3 5.500 . 5.500 4.860 3.583 5.346 . 0 0 "[ . 1 . 2 .]" 1
558 1 133 THR HA 1 136 LEU HB2 3.600 . 3.600 3.312 2.243 3.697 0.097 21 0 "[ . 1 . 2 .]" 1
559 1 48 ALA HA 1 51 PHE QB 2.800 . 2.800 2.682 2.279 2.841 0.041 6 0 "[ . 1 . 2 .]" 1
560 1 49 LEU HA 1 51 PHE QB 4.800 . 4.800 4.668 4.369 4.858 0.058 8 0 "[ . 1 . 2 .]" 1
561 1 49 LEU HA 1 52 ALA MB 4.500 . 4.500 4.079 3.424 4.468 . 0 0 "[ . 1 . 2 .]" 1
562 1 51 PHE HA 1 54 LEU QB 2.900 . 2.900 2.322 2.221 2.769 . 0 0 "[ . 1 . 2 .]" 1
563 1 55 ARG HA 1 58 LYS HB2 5.500 . 5.500 2.422 2.200 2.888 . 0 0 "[ . 1 . 2 .]" 1
564 1 9 PHE HB3 1 11 VAL MG2 3.700 . 3.700 3.623 3.433 3.701 0.001 25 0 "[ . 1 . 2 .]" 1
565 1 9 PHE QB 1 11 VAL MG2 3.800 . 3.800 3.549 3.371 3.620 . 0 0 "[ . 1 . 2 .]" 1
566 1 9 PHE QD 1 11 VAL MG2 3.500 . 3.500 2.678 2.380 2.936 . 0 0 "[ . 1 . 2 .]" 1
567 1 10 ILE MG 1 12 ILE H 3.900 . 3.900 3.716 3.440 3.900 . 0 0 "[ . 1 . 2 .]" 1
568 1 11 VAL QG 1 13 ASP H 5.500 . 5.500 4.706 4.547 4.929 . 0 0 "[ . 1 . 2 .]" 1
569 1 18 LEU MD2 1 20 GLY HA2 3.900 . 3.900 3.673 3.467 3.917 0.017 20 0 "[ . 1 . 2 .]" 1
570 1 18 LEU MD2 1 20 GLY HA3 3.500 . 3.500 3.060 2.858 3.279 . 0 0 "[ . 1 . 2 .]" 1
571 1 21 THR MG 1 23 GLN HA 5.500 . 5.500 4.866 4.309 5.428 . 0 0 "[ . 1 . 2 .]" 1
572 1 22 LEU MD2 1 26 THR H 4.500 . 4.500 3.666 3.373 4.303 . 0 0 "[ . 1 . 2 .]" 1
573 1 24 GLY HA3 1 26 THR H 3.500 . 3.500 3.197 2.867 3.414 . 0 0 "[ . 1 . 2 .]" 1
574 1 24 GLY HA2 1 26 THR H 4.500 . 4.500 4.319 4.043 4.431 . 0 0 "[ . 1 . 2 .]" 1
575 1 29 VAL MG1 1 31 HIS H 5.500 . 5.500 2.943 2.577 3.398 . 0 0 "[ . 1 . 2 .]" 1
576 1 33 PHE QD 1 35 VAL MG1 5.500 . 5.500 3.846 3.593 4.481 . 0 0 "[ . 1 . 2 .]" 1
577 1 35 VAL MG1 1 37 LEU HA 5.800 . 5.800 3.851 3.464 4.299 . 0 0 "[ . 1 . 2 .]" 1
578 1 35 VAL MG1 1 37 LEU H 4.300 . 4.300 3.929 3.664 4.360 0.060 10 0 "[ . 1 . 2 .]" 1
579 1 48 ALA HA 1 51 PHE HA 5.500 . 5.500 5.232 4.900 5.498 . 0 0 "[ . 1 . 2 .]" 1
580 1 48 ALA HA 1 51 PHE QD 4.500 . 4.500 4.460 3.913 4.575 0.075 22 0 "[ . 1 . 2 .]" 1
581 1 51 PHE HA 1 54 LEU QD 3.500 . 3.500 3.415 2.729 3.564 0.064 25 0 "[ . 1 . 2 .]" 1
582 1 52 ALA HA 1 55 ARG QD 3.500 . 3.500 2.599 2.231 3.239 . 0 0 "[ . 1 . 2 .]" 1
583 1 53 ARG H 1 56 MET QG 5.300 . 5.300 5.163 4.868 5.372 0.072 14 0 "[ . 1 . 2 .]" 1
584 1 56 MET HA 1 59 ARG QD 4.500 . 4.500 3.378 2.363 3.879 . 0 0 "[ . 1 . 2 .]" 1
585 1 57 GLU HA 1 61 ASN HD21 5.800 . 5.800 5.790 5.718 5.821 0.021 24 0 "[ . 1 . 2 .]" 1
586 1 59 ARG HA 1 62 TYR QD 3.500 . 3.500 3.211 2.826 3.498 . 0 0 "[ . 1 . 2 .]" 1
587 1 59 ARG HE 1 62 TYR QD 5.500 . 5.500 3.812 2.109 4.850 . 0 0 "[ . 1 . 2 .]" 1
588 1 59 ARG HE 1 62 TYR QE 4.600 . 4.600 3.943 2.568 4.712 0.112 1 0 "[ . 1 . 2 .]" 1
589 1 59 ARG HA 1 63 VAL MG2 4.500 . 4.500 4.384 4.027 4.529 0.029 16 0 "[ . 1 . 2 .]" 1
590 1 60 HIS HA 1 63 VAL MG2 3.500 . 3.500 3.142 2.683 3.406 . 0 0 "[ . 1 . 2 .]" 1
591 1 60 HIS HA 1 63 VAL MG1 3.800 . 3.800 3.756 3.654 3.824 0.024 1 0 "[ . 1 . 2 .]" 1
592 1 63 VAL HA 1 66 VAL HA 5.300 . 5.300 5.176 4.950 5.330 0.030 18 0 "[ . 1 . 2 .]" 1
593 1 63 VAL HA 1 66 VAL MG1 4.500 . 4.500 3.955 3.668 4.201 . 0 0 "[ . 1 . 2 .]" 1
594 1 63 VAL HA 1 66 VAL MG2 3.400 . 3.400 2.467 2.274 3.199 . 0 0 "[ . 1 . 2 .]" 1
595 1 66 VAL MG2 1 69 THR HB 4.200 . 4.200 4.219 3.951 4.269 0.069 4 0 "[ . 1 . 2 .]" 1
596 1 66 VAL MG1 1 69 THR HB 4.500 . 4.500 3.141 2.941 3.419 . 0 0 "[ . 1 . 2 .]" 1
597 1 66 VAL HA 1 69 THR MG 4.500 . 4.500 3.805 3.541 4.038 . 0 0 "[ . 1 . 2 .]" 1
598 1 68 GLU HA 1 71 VAL MG2 3.500 . 3.500 3.296 2.987 3.515 0.015 15 0 "[ . 1 . 2 .]" 1
599 1 68 GLU HA 1 71 VAL MG1 3.500 . 3.500 2.241 2.183 2.309 . 0 0 "[ . 1 . 2 .]" 1
600 1 69 THR MG 1 72 GLN HB2 4.100 . 4.100 3.794 3.676 3.965 . 0 0 "[ . 1 . 2 .]" 1
601 1 69 THR HA 1 72 GLN HE21 4.600 . 4.600 4.121 3.115 4.576 . 0 0 "[ . 1 . 2 .]" 1
602 1 69 THR HA 1 72 GLN QG 4.400 . 4.400 4.289 4.079 4.413 0.013 24 0 "[ . 1 . 2 .]" 1
603 1 69 THR HA 1 73 LEU MD1 4.400 . 4.400 3.930 3.582 4.173 . 0 0 "[ . 1 . 2 .]" 1
604 1 70 ALA HA 1 73 LEU QD 3.500 . 3.500 3.055 2.743 3.386 . 0 0 "[ . 1 . 2 .]" 1
605 1 70 ALA MB 1 74 PHE HB2 4.500 . 4.500 3.951 3.773 4.308 . 0 0 "[ . 1 . 2 .]" 1
606 1 70 ALA MB 1 74 PHE HB3 5.500 . 5.500 5.198 5.024 5.511 0.011 18 0 "[ . 1 . 2 .]" 1
607 1 70 ALA HA 1 74 PHE QD 3.400 . 3.400 3.105 2.950 3.378 . 0 0 "[ . 1 . 2 .]" 1
608 1 70 ALA MB 1 74 PHE QD 2.600 . 2.600 2.362 2.214 2.606 0.006 3 0 "[ . 1 . 2 .]" 1
609 1 70 ALA MB 1 74 PHE QE 4.300 . 4.300 2.852 2.432 3.240 . 0 0 "[ . 1 . 2 .]" 1
610 1 75 ILE MG 1 78 ASP HA 3.500 . 3.500 3.518 3.409 3.548 0.048 16 0 "[ . 1 . 2 .]" 1
611 1 75 ILE MG 1 78 ASP H 4.500 . 4.500 4.375 4.272 4.438 . 0 0 "[ . 1 . 2 .]" 1
612 1 78 ASP H 1 80 VAL MG2 6.000 . 6.000 6.008 5.895 6.038 0.038 13 0 "[ . 1 . 2 .]" 1
613 1 75 ILE MG 1 79 LYS H 3.500 . 3.500 3.488 3.416 3.565 0.065 18 0 "[ . 1 . 2 .]" 1
614 1 80 VAL MG1 1 82 VAL H 3.500 . 3.500 1.913 1.824 2.014 . 0 0 "[ . 1 . 2 .]" 1
615 1 82 VAL MG2 1 84 GLY H 3.600 . 3.600 3.494 3.244 3.693 0.093 10 0 "[ . 1 . 2 .]" 1
616 1 82 VAL MG2 1 85 LEU MD2 3.500 . 3.500 2.772 2.115 3.190 . 0 0 "[ . 1 . 2 .]" 1
617 1 92 ASP QB 1 95 THR HB 4.500 . 4.500 2.676 2.273 3.604 . 0 0 "[ . 1 . 2 .]" 1
618 1 93 PHE QE 1 96 GLU H 6.300 . 6.300 6.326 6.208 6.371 0.071 20 0 "[ . 1 . 2 .]" 1
619 1 96 GLU HA 1 99 GLN QE 5.800 . 5.800 5.840 5.732 5.908 0.108 18 0 "[ . 1 . 2 .]" 1
620 1 93 PHE QD 1 97 LEU H 4.800 . 4.800 4.098 3.538 4.817 0.017 20 0 "[ . 1 . 2 .]" 1
621 1 94 LYS HA 1 97 LEU QD 3.500 . 3.500 2.375 2.055 3.255 . 0 0 "[ . 1 . 2 .]" 1
622 1 97 LEU QD 1 99 GLN H 6.400 . 6.400 6.186 5.934 6.412 0.012 10 0 "[ . 1 . 2 .]" 1
623 1 99 GLN QG 1 101 ASP H 5.500 . 5.500 2.730 2.233 3.371 . 0 0 "[ . 1 . 2 .]" 1
624 1 99 GLN QE 1 102 MET HA 5.500 . 5.500 4.408 3.722 4.755 . 0 0 "[ . 1 . 2 .]" 1
625 1 100 SER HB2 1 103 PHE HB3 5.000 . 5.000 4.968 4.806 5.049 0.049 4 0 "[ . 1 . 2 .]" 1
626 1 103 PHE H 1 107 LEU MD1 5.900 . 5.900 5.847 5.512 5.975 0.075 3 0 "[ . 1 . 2 .]" 1
627 1 103 PHE HA 1 107 LEU MD1 4.100 . 4.100 3.856 3.479 4.112 0.012 10 0 "[ . 1 . 2 .]" 1
628 1 104 ASP H 1 107 LEU MD1 3.500 . 3.500 2.189 1.853 3.427 . 0 0 "[ . 1 . 2 .]" 1
629 1 104 ASP H 1 107 LEU HG 5.500 . 5.500 4.476 4.158 5.507 0.007 13 0 "[ . 1 . 2 .]" 1
630 1 104 ASP H 1 108 GLN QE 4.900 . 4.900 4.721 2.826 4.982 0.082 21 0 "[ . 1 . 2 .]" 1
631 1 107 LEU MD1 1 109 SER H 5.800 . 5.800 5.889 5.766 5.955 0.155 4 0 "[ . 1 . 2 .]" 1
632 1 108 GLN HA 1 111 VAL MG2 4.500 . 4.500 3.988 3.618 4.220 . 0 0 "[ . 1 . 2 .]" 1
633 1 108 GLN HA 1 111 VAL MG1 4.500 . 4.500 3.991 3.608 4.455 . 0 0 "[ . 1 . 2 .]" 1
634 1 117 ILE MD 1 119 TYR H 4.500 . 4.500 4.398 4.248 4.510 0.010 23 0 "[ . 1 . 2 .]" 1
635 1 117 ILE MG 1 119 TYR H 4.500 . 4.500 4.017 3.795 4.159 . 0 0 "[ . 1 . 2 .]" 1
636 1 117 ILE MD 1 120 GLY H 4.500 . 4.500 3.556 3.275 4.107 . 0 0 "[ . 1 . 2 .]" 1
637 1 117 ILE MG 1 120 GLY H 5.500 . 5.500 5.414 5.284 5.504 0.004 9 0 "[ . 1 . 2 .]" 1
638 1 117 ILE MD 1 121 GLY H 4.700 . 4.700 4.738 4.587 4.830 0.130 25 0 "[ . 1 . 2 .]" 1
639 1 117 ILE MG 1 121 GLY H 5.300 . 5.300 5.333 5.296 5.371 0.071 16 0 "[ . 1 . 2 .]" 1
640 1 121 GLY HA2 1 123 ASN H 5.300 . 5.300 5.333 4.343 5.432 0.132 18 0 "[ . 1 . 2 .]" 1
641 1 122 GLU HA 1 125 PHE QD 3.500 . 3.500 2.582 2.281 3.048 . 0 0 "[ . 1 . 2 .]" 1
642 1 122 GLU HA 1 125 PHE QE 5.200 . 5.200 4.766 4.442 5.220 0.020 13 0 "[ . 1 . 2 .]" 1
643 1 123 ASN HA 1 126 ASN HD21 3.500 . 3.500 2.525 2.276 3.005 . 0 0 "[ . 1 . 2 .]" 1
644 1 123 ASN HA 1 126 ASN HD22 4.100 . 4.100 4.069 3.896 4.137 0.037 13 0 "[ . 1 . 2 .]" 1
645 1 125 PHE QD 1 129 ILE MD 3.500 . 3.500 3.100 2.819 3.385 . 0 0 "[ . 1 . 2 .]" 1
646 1 125 PHE QE 1 129 ILE MD 3.400 . 3.400 2.749 2.331 3.087 . 0 0 "[ . 1 . 2 .]" 1
647 1 125 PHE HZ 1 129 ILE MD 3.900 . 3.900 3.052 2.509 3.933 0.033 2 0 "[ . 1 . 2 .]" 1
648 1 125 PHE QD 1 129 ILE H 5.800 2.100 5.800 5.205 4.859 5.510 . 0 0 "[ . 1 . 2 .]" 1
649 1 125 PHE QE 1 129 ILE H 6.100 2.100 6.100 5.936 5.544 6.247 0.147 4 0 "[ . 1 . 2 .]" 1
650 1 126 ASN HA 1 129 ILE MD 3.500 . 3.500 2.838 2.242 3.495 . 0 0 "[ . 1 . 2 .]" 1
651 1 126 ASN HA 1 129 ILE MG 4.100 . 4.100 4.115 4.005 4.194 0.094 4 0 "[ . 1 . 2 .]" 1
652 1 127 GLN QG 1 131 LEU MD1 3.800 . 3.800 3.392 2.562 3.840 0.040 7 0 "[ . 1 . 2 .]" 1
653 1 128 ALA HA 1 131 LEU HG 4.500 . 4.500 4.162 3.686 4.496 . 0 0 "[ . 1 . 2 .]" 1
654 1 129 ILE MG 1 133 THR H 4.800 . 4.800 4.538 3.625 4.831 0.031 6 0 "[ . 1 . 2 .]" 1
655 1 130 GLU HA 1 133 THR MG 3.700 . 3.700 3.737 3.476 3.826 0.126 22 0 "[ . 1 . 2 .]" 1
656 1 133 THR HA 1 136 LEU MD2 6.000 . 6.000 5.626 4.495 6.032 0.032 7 0 "[ . 1 . 2 .]" 1
657 1 133 THR HA 1 136 LEU MD1 4.000 . 4.000 3.728 2.377 4.055 0.055 5 0 "[ . 1 . 2 .]" 1
658 1 77 GLY QA 1 79 LYS H 4.500 . 4.500 3.390 3.322 3.444 . 0 0 "[ . 1 . 2 .]" 1
659 1 5 SER H 1 7 PHE QE 4.500 . 4.500 2.830 2.371 3.945 . 0 0 "[ . 1 . 2 .]" 1
660 1 5 SER H 1 7 PHE HZ 4.500 . 4.500 4.029 3.036 4.547 0.047 5 0 "[ . 1 . 2 .]" 1
661 1 9 PHE HA 1 11 VAL MG2 5.100 . 5.100 5.064 4.916 5.144 0.044 6 0 "[ . 1 . 2 .]" 1
662 1 9 PHE HB2 1 11 VAL MG2 5.100 . 5.100 5.083 4.911 5.149 0.049 4 0 "[ . 1 . 2 .]" 1
663 1 13 ASP H 1 14 GLY H 4.500 . 4.500 4.321 4.261 4.380 . 0 0 "[ . 1 . 2 .]" 1
664 1 14 GLY H 1 15 SER H 3.800 . 3.800 2.927 2.749 3.051 . 0 0 "[ . 1 . 2 .]" 1
665 1 15 SER H 1 16 GLY H 2.600 . 2.600 3.003 2.874 3.121 0.521 12 1 "[ . 1 + . 2 .]" 1
666 1 16 GLY H 1 17 ALA H 4.500 . 4.500 4.199 4.118 4.362 . 0 0 "[ . 1 . 2 .]" 1
667 1 17 ALA H 1 18 LEU H 4.500 . 4.500 4.350 4.251 4.392 . 0 0 "[ . 1 . 2 .]" 1
668 1 18 LEU H 1 19 PHE H 4.500 . 4.500 4.375 4.220 4.426 . 0 0 "[ . 1 . 2 .]" 1
669 1 19 PHE H 1 20 GLY H 4.500 . 4.500 4.205 4.090 4.286 . 0 0 "[ . 1 . 2 .]" 1
670 1 20 GLY H 1 21 THR H 4.500 . 4.500 4.391 4.299 4.498 . 0 0 "[ . 1 . 2 .]" 1
671 1 21 THR H 1 22 LEU H 4.600 . 4.600 4.418 4.367 4.472 . 0 0 "[ . 1 . 2 .]" 1
672 1 22 LEU H 1 23 GLN H 5.000 2.100 5.000 4.284 4.207 4.378 . 0 0 "[ . 1 . 2 .]" 1
673 1 23 GLN H 1 24 GLY H 4.500 . 4.500 4.183 3.273 4.270 . 0 0 "[ . 1 . 2 .]" 1
674 1 24 GLY H 1 25 ASN H 4.700 . 4.700 4.583 4.392 4.638 . 0 0 "[ . 1 . 2 .]" 1
675 1 25 ASN H 1 26 THR H 3.500 . 3.500 2.418 2.160 2.603 . 0 0 "[ . 1 . 2 .]" 1
676 1 26 THR H 1 27 ARG H 4.700 . 4.700 4.507 4.451 4.563 . 0 0 "[ . 1 . 2 .]" 1
677 1 29 VAL H 1 30 LEU H 4.600 . 4.600 4.437 4.074 4.612 0.012 20 0 "[ . 1 . 2 .]" 1
678 1 30 LEU H 1 31 HIS H 3.500 . 3.500 2.381 2.153 2.965 . 0 0 "[ . 1 . 2 .]" 1
679 1 31 HIS H 1 32 LYS H 5.500 . 5.500 4.259 4.004 4.487 . 0 0 "[ . 1 . 2 .]" 1
680 1 33 PHE H 1 34 THR H 4.500 . 4.500 4.314 4.255 4.358 . 0 0 "[ . 1 . 2 .]" 1
681 1 34 THR H 1 35 VAL H 4.500 . 4.500 4.295 4.253 4.359 . 0 0 "[ . 1 . 2 .]" 1
682 1 35 VAL H 1 36 ASP H 4.500 . 4.500 4.409 4.357 4.438 . 0 0 "[ . 1 . 2 .]" 1
683 1 36 ASP H 1 37 LEU H 4.500 . 4.500 4.375 4.320 4.509 0.009 10 0 "[ . 1 . 2 .]" 1
684 1 39 LYS H 1 40 LYS H 4.500 . 4.500 2.772 2.334 3.021 . 0 0 "[ . 1 . 2 .]" 1
685 1 40 LYS H 1 41 HIS H 4.500 . 4.500 4.473 4.150 4.554 0.054 12 0 "[ . 1 . 2 .]" 1
686 1 43 ARG H 1 44 GLY H 3.500 . 3.500 2.656 2.213 3.586 0.086 12 0 "[ . 1 . 2 .]" 1
687 1 48 ALA H 1 49 LEU H 4.500 . 4.500 2.689 2.575 3.025 . 0 0 "[ . 1 . 2 .]" 1
688 1 49 LEU H 1 50 ARG H 3.500 . 3.500 2.593 2.524 2.664 . 0 0 "[ . 1 . 2 .]" 1
689 1 50 ARG H 1 51 PHE H 3.500 . 3.500 2.641 2.458 2.772 . 0 0 "[ . 1 . 2 .]" 1
690 1 54 LEU H 1 55 ARG H 3.500 . 3.500 2.805 2.568 2.962 . 0 0 "[ . 1 . 2 .]" 1
691 1 55 ARG H 1 56 MET H 3.500 . 3.500 2.788 2.656 3.019 . 0 0 "[ . 1 . 2 .]" 1
692 1 57 GLU H 1 58 LYS H 4.500 . 4.500 2.425 2.380 2.499 . 0 0 "[ . 1 . 2 .]" 1
693 1 61 ASN H 1 62 TYR H 3.500 . 3.500 2.383 2.331 2.449 . 0 0 "[ . 1 . 2 .]" 1
694 1 62 TYR H 1 63 VAL H 5.500 3.000 5.500 2.871 2.844 2.895 0.156 20 0 "[ . 1 . 2 .]" 1
695 1 63 VAL H 1 64 ARG H 3.500 . 3.500 2.850 2.821 2.884 . 0 0 "[ . 1 . 2 .]" 1
696 1 64 ARG H 1 65 LYS H 4.500 . 4.500 2.540 2.491 2.606 . 0 0 "[ . 1 . 2 .]" 1
697 1 65 LYS H 1 66 VAL H 3.500 . 3.500 2.770 2.711 2.872 . 0 0 "[ . 1 . 2 .]" 1
698 1 66 VAL H 1 67 ALA H 3.500 . 3.500 2.649 2.580 2.700 . 0 0 "[ . 1 . 2 .]" 1
699 1 67 ALA H 1 68 GLU H 3.500 . 3.500 2.573 2.508 2.662 . 0 0 "[ . 1 . 2 .]" 1
700 1 68 GLU H 1 69 THR H 3.500 . 3.500 2.482 2.431 2.538 . 0 0 "[ . 1 . 2 .]" 1
701 1 70 ALA H 1 71 VAL H 3.500 . 3.500 2.822 2.772 2.867 . 0 0 "[ . 1 . 2 .]" 1
702 1 71 VAL H 1 72 GLN H 3.500 . 3.500 2.814 2.723 2.894 . 0 0 "[ . 1 . 2 .]" 1
703 1 72 GLN H 1 73 LEU H 3.500 . 3.500 2.450 2.385 2.618 . 0 0 "[ . 1 . 2 .]" 1
704 1 73 LEU H 1 74 PHE H 3.500 . 3.500 2.664 2.599 2.728 . 0 0 "[ . 1 . 2 .]" 1
705 1 74 PHE H 1 75 ILE H 4.500 . 4.500 2.357 2.260 2.579 . 0 0 "[ . 1 . 2 .]" 1
706 1 75 ILE H 1 76 SER H 5.500 . 5.500 4.379 4.282 4.480 . 0 0 "[ . 1 . 2 .]" 1
707 1 77 GLY H 1 78 ASP H 4.500 . 4.500 3.904 3.833 3.938 . 0 0 "[ . 1 . 2 .]" 1
708 1 78 ASP H 1 79 LYS H 2.700 . 2.700 1.590 1.429 1.663 . 0 0 "[ . 1 . 2 .]" 1
709 1 79 LYS H 1 80 VAL H 5.500 . 5.500 4.528 4.499 4.563 . 0 0 "[ . 1 . 2 .]" 1
710 1 80 VAL H 1 81 ASN H 5.500 . 5.500 4.085 4.047 4.121 . 0 0 "[ . 1 . 2 .]" 1
711 1 81 ASN H 1 82 VAL H 3.500 . 3.500 2.711 2.581 2.825 . 0 0 "[ . 1 . 2 .]" 1
712 1 82 VAL H 1 83 ALA H 5.500 . 5.500 4.398 4.334 4.445 . 0 0 "[ . 1 . 2 .]" 1
713 1 83 ALA H 1 84 GLY H 2.600 . 2.600 2.363 2.219 2.499 . 0 0 "[ . 1 . 2 .]" 1
714 1 84 GLY H 1 85 LEU H 5.500 . 5.500 4.293 4.200 4.421 . 0 0 "[ . 1 . 2 .]" 1
715 1 86 VAL H 1 87 LEU H 5.500 . 5.500 4.335 4.281 4.375 . 0 0 "[ . 1 . 2 .]" 1
716 1 87 LEU H 1 88 ALA H 5.500 . 5.500 4.514 4.481 4.542 . 0 0 "[ . 1 . 2 .]" 1
717 1 88 ALA H 1 89 GLY H 4.500 . 4.500 4.326 4.249 4.443 . 0 0 "[ . 1 . 2 .]" 1
718 1 90 SER H 1 91 ALA H 4.800 . 4.800 4.622 4.586 4.666 . 0 0 "[ . 1 . 2 .]" 1
719 1 91 ALA H 1 92 ASP H 3.500 . 3.500 2.855 2.759 2.972 . 0 0 "[ . 1 . 2 .]" 1
720 1 92 ASP H 1 93 PHE H 4.500 . 4.500 2.584 2.539 2.633 . 0 0 "[ . 1 . 2 .]" 1
721 1 93 PHE H 1 94 LYS H 5.500 . 5.500 2.791 2.701 2.913 . 0 0 "[ . 1 . 2 .]" 1
722 1 94 LYS H 1 95 THR H 3.500 . 3.500 2.734 2.486 3.177 . 0 0 "[ . 1 . 2 .]" 1
723 1 95 THR H 1 96 GLU H 3.500 . 3.500 2.878 2.782 3.033 . 0 0 "[ . 1 . 2 .]" 1
724 1 96 GLU H 1 97 LEU H 3.500 . 3.500 2.553 2.461 2.628 . 0 0 "[ . 1 . 2 .]" 1
725 1 97 LEU H 1 98 SER H 3.500 . 3.500 2.814 2.693 2.924 . 0 0 "[ . 1 . 2 .]" 1
726 1 98 SER H 1 99 GLN H 4.500 . 4.500 3.782 3.703 3.902 . 0 0 "[ . 1 . 2 .]" 1
727 1 99 GLN H 1 100 SER H 4.500 . 4.500 3.797 3.602 3.977 . 0 0 "[ . 1 . 2 .]" 1
728 1 101 ASP H 1 102 MET H 3.500 . 3.500 2.784 2.623 2.982 . 0 0 "[ . 1 . 2 .]" 1
729 1 102 MET H 1 103 PHE H 3.500 . 3.500 2.450 2.156 2.686 . 0 0 "[ . 1 . 2 .]" 1
730 1 103 PHE H 1 104 ASP H 4.500 . 4.500 4.433 3.657 4.560 0.060 23 0 "[ . 1 . 2 .]" 1
731 1 104 ASP H 1 105 GLN H 4.500 . 4.500 4.501 4.269 4.575 0.075 4 0 "[ . 1 . 2 .]" 1
732 1 105 GLN H 1 106 ARG H 4.500 . 4.500 2.475 2.326 2.636 . 0 0 "[ . 1 . 2 .]" 1
733 1 106 ARG H 1 107 LEU H 3.500 . 3.500 3.067 2.992 3.211 . 0 0 "[ . 1 . 2 .]" 1
734 1 107 LEU H 1 108 GLN H 3.500 . 3.500 2.440 2.163 2.798 . 0 0 "[ . 1 . 2 .]" 1
735 1 108 GLN H 1 109 SER H 3.500 . 3.500 2.723 2.444 3.276 . 0 0 "[ . 1 . 2 .]" 1
736 1 109 SER H 1 110 LYS H 3.400 . 3.400 2.513 2.405 2.764 . 0 0 "[ . 1 . 2 .]" 1
737 1 110 LYS H 1 111 VAL H 3.500 . 3.500 2.285 2.179 2.364 . 0 0 "[ . 1 . 2 .]" 1
738 1 111 VAL H 1 112 LEU H 4.600 . 4.600 4.221 4.156 4.292 . 0 0 "[ . 1 . 2 .]" 1
739 1 112 LEU H 1 113 LYS H 5.500 3.000 5.500 2.708 2.675 2.739 0.325 4 0 "[ . 1 . 2 .]" 1
740 1 113 LYS H 1 114 LEU H 4.700 . 4.700 4.489 4.458 4.536 . 0 0 "[ . 1 . 2 .]" 1
741 1 114 LEU H 1 115 VAL H 4.500 . 4.500 4.300 4.242 4.352 . 0 0 "[ . 1 . 2 .]" 1
742 1 115 VAL H 1 116 ASP H 4.700 . 4.700 4.531 4.481 4.624 . 0 0 "[ . 1 . 2 .]" 1
743 1 116 ASP H 1 117 ILE H 4.700 . 4.700 4.572 4.491 4.602 . 0 0 "[ . 1 . 2 .]" 1
744 1 117 ILE H 1 118 SER H 5.500 . 5.500 4.287 4.171 4.352 . 0 0 "[ . 1 . 2 .]" 1
745 1 118 SER H 1 119 TYR H 3.500 . 3.500 2.704 2.673 2.752 . 0 0 "[ . 1 . 2 .]" 1
746 1 119 TYR H 1 120 GLY H 5.500 . 5.500 4.332 4.297 4.390 . 0 0 "[ . 1 . 2 .]" 1
747 1 120 GLY H 1 121 GLY H 4.500 . 4.500 4.418 4.334 4.470 . 0 0 "[ . 1 . 2 .]" 1
748 1 121 GLY H 1 122 GLU H 4.500 . 4.500 3.412 3.107 3.631 . 0 0 "[ . 1 . 2 .]" 1
749 1 122 GLU H 1 123 ASN H 3.900 . 3.900 3.562 3.045 3.781 . 0 0 "[ . 1 . 2 .]" 1
750 1 123 ASN H 1 124 GLY H 3.500 . 3.500 2.828 2.022 2.954 . 0 0 "[ . 1 . 2 .]" 1
751 1 124 GLY H 1 125 PHE H 2.500 . 2.500 2.360 2.290 2.439 . 0 0 "[ . 1 . 2 .]" 1
752 1 125 PHE H 1 126 ASN H 3.500 . 3.500 2.859 2.762 2.965 . 0 0 "[ . 1 . 2 .]" 1
753 1 126 ASN H 1 127 GLN H 3.500 . 3.500 2.808 2.656 2.959 . 0 0 "[ . 1 . 2 .]" 1
754 1 127 GLN H 1 128 ALA H 3.500 . 3.500 2.767 2.613 2.921 . 0 0 "[ . 1 . 2 .]" 1
755 1 128 ALA H 1 129 ILE H 3.500 . 3.500 2.643 2.596 2.696 . 0 0 "[ . 1 . 2 .]" 1
756 1 129 ILE H 1 130 GLU H 3.500 . 3.500 2.603 2.468 2.728 . 0 0 "[ . 1 . 2 .]" 1
757 1 130 GLU H 1 131 LEU H 3.500 . 3.500 2.773 2.708 2.919 . 0 0 "[ . 1 . 2 .]" 1
758 1 131 LEU H 1 132 SER H 3.500 . 3.500 2.840 2.780 2.926 . 0 0 "[ . 1 . 2 .]" 1
759 1 132 SER H 1 133 THR H 3.600 . 3.600 3.344 2.587 3.614 0.014 7 0 "[ . 1 . 2 .]" 1
760 1 133 THR H 1 134 GLU H 3.500 . 3.500 1.806 1.293 2.876 . 0 0 "[ . 1 . 2 .]" 1
761 1 134 GLU H 1 135 VAL H 3.500 . 3.500 2.709 2.407 2.932 . 0 0 "[ . 1 . 2 .]" 1
762 1 135 VAL H 1 136 LEU H 3.500 . 3.500 2.348 1.933 2.876 . 0 0 "[ . 1 . 2 .]" 1
763 1 4 ASP H 1 5 SER H 4.700 . 4.700 4.573 4.543 4.611 . 0 0 "[ . 1 . 2 .]" 1
764 1 5 SER H 1 6 LYS H 4.600 . 4.600 4.448 4.406 4.477 . 0 0 "[ . 1 . 2 .]" 1
765 1 8 GLY H 1 9 PHE H 4.700 . 4.700 4.591 4.328 4.635 . 0 0 "[ . 1 . 2 .]" 1
766 1 9 PHE H 1 10 ILE H 4.500 . 4.500 4.205 4.114 4.513 0.013 10 0 "[ . 1 . 2 .]" 1
767 1 12 ILE H 1 13 ASP H 4.500 . 4.500 4.389 4.350 4.432 . 0 0 "[ . 1 . 2 .]" 1
768 1 10 ILE HA 1 11 VAL H 2.500 . 2.500 2.054 1.966 2.359 . 0 0 "[ . 1 . 2 .]" 1
769 1 11 VAL HA 1 12 ILE H 3.500 . 3.500 2.140 2.057 2.295 . 0 0 "[ . 1 . 2 .]" 1
770 1 12 ILE HA 1 13 ASP H 2.500 . 2.500 2.108 1.991 2.175 . 0 0 "[ . 1 . 2 .]" 1
771 1 13 ASP HA 1 14 GLY H 3.500 . 3.500 2.333 2.278 2.482 . 0 0 "[ . 1 . 2 .]" 1
772 1 16 GLY HA2 1 17 ALA H 3.500 . 3.500 2.334 2.283 2.385 . 0 0 "[ . 1 . 2 .]" 1
773 1 16 GLY HA3 1 17 ALA H 3.500 . 3.500 2.830 2.614 2.930 . 0 0 "[ . 1 . 2 .]" 1
774 1 17 ALA HA 1 18 LEU H 2.500 . 2.500 2.270 2.210 2.324 . 0 0 "[ . 1 . 2 .]" 1
775 1 19 PHE HA 1 20 GLY H 2.500 . 2.500 2.151 2.019 2.272 . 0 0 "[ . 1 . 2 .]" 1
776 1 20 GLY HA3 1 21 THR H 3.500 . 3.500 2.428 2.350 2.504 . 0 0 "[ . 1 . 2 .]" 1
777 1 20 GLY HA2 1 21 THR H 2.600 . 2.600 2.505 2.439 2.600 . 0 0 "[ . 1 . 2 .]" 1
778 1 21 THR HA 1 22 LEU H 2.500 . 2.500 2.303 2.238 2.353 . 0 0 "[ . 1 . 2 .]" 1
779 1 23 GLN HA 1 24 GLY H 2.500 . 2.500 2.181 2.084 2.583 0.083 16 0 "[ . 1 . 2 .]" 1
780 1 24 GLY HA3 1 25 ASN H 3.500 . 3.500 2.193 2.132 2.405 . 0 0 "[ . 1 . 2 .]" 1
781 1 24 GLY HA2 1 25 ASN H 3.500 . 3.500 3.113 3.011 3.170 . 0 0 "[ . 1 . 2 .]" 1
782 1 25 ASN H 1 26 THR HA 5.500 . 5.500 4.896 4.573 5.123 . 0 0 "[ . 1 . 2 .]" 1
783 1 25 ASN HA 1 26 THR H 3.500 . 3.500 3.225 3.178 3.298 . 0 0 "[ . 1 . 2 .]" 1
784 1 26 THR HA 1 27 ARG H 2.500 . 2.500 2.302 2.115 2.424 . 0 0 "[ . 1 . 2 .]" 1
785 1 27 ARG HA 1 28 GLU H 2.500 . 2.500 2.211 2.141 2.304 . 0 0 "[ . 1 . 2 .]" 1
786 1 28 GLU HA 1 29 VAL H 2.500 . 2.500 2.265 2.153 2.360 . 0 0 "[ . 1 . 2 .]" 1
787 1 29 VAL HA 1 30 LEU H 2.500 . 2.500 2.201 2.139 2.262 . 0 0 "[ . 1 . 2 .]" 1
788 1 31 HIS HA 1 32 LYS H 2.500 . 2.500 2.257 1.943 2.546 0.046 10 0 "[ . 1 . 2 .]" 1
789 1 32 LYS HA 1 33 PHE H 2.500 . 2.500 2.291 2.127 2.433 . 0 0 "[ . 1 . 2 .]" 1
790 1 33 PHE HA 1 34 THR H 3.500 . 3.500 2.212 2.149 2.331 . 0 0 "[ . 1 . 2 .]" 1
791 1 34 THR HA 1 35 VAL H 2.500 . 2.500 2.301 2.265 2.345 . 0 0 "[ . 1 . 2 .]" 1
792 1 35 VAL HA 1 36 ASP H 3.500 . 3.500 2.172 2.085 2.220 . 0 0 "[ . 1 . 2 .]" 1
793 1 36 ASP HA 1 37 LEU H 2.500 . 2.500 2.040 1.980 2.093 . 0 0 "[ . 1 . 2 .]" 1
794 1 38 PRO HA 1 39 LYS H 3.500 . 3.500 2.278 2.108 2.461 . 0 0 "[ . 1 . 2 .]" 1
795 1 39 LYS HA 1 40 LYS H 4.500 . 4.500 3.552 3.399 3.621 . 0 0 "[ . 1 . 2 .]" 1
796 1 41 HIS HA 1 42 GLY H 3.500 . 3.500 2.643 2.032 3.549 0.049 10 0 "[ . 1 . 2 .]" 1
797 1 45 GLY HA3 1 46 GLN H 4.500 . 4.500 2.999 2.770 3.287 . 0 0 "[ . 1 . 2 .]" 1
798 1 45 GLY HA2 1 46 GLN H 4.500 . 4.500 3.426 3.260 3.550 . 0 0 "[ . 1 . 2 .]" 1
799 1 46 GLN HA 1 47 SER H 4.500 . 4.500 2.221 2.142 2.403 . 0 0 "[ . 1 . 2 .]" 1
800 1 47 SER HA 1 48 ALA H 3.500 . 3.500 2.377 2.189 2.479 . 0 0 "[ . 1 . 2 .]" 1
801 1 48 ALA HA 1 49 LEU H 3.700 . 3.700 3.573 3.529 3.655 . 0 0 "[ . 1 . 2 .]" 1
802 1 49 LEU HA 1 50 ARG H 3.700 . 3.700 3.499 3.447 3.529 . 0 0 "[ . 1 . 2 .]" 1
803 1 50 ARG HA 1 51 PHE H 3.700 . 3.700 3.466 3.368 3.553 . 0 0 "[ . 1 . 2 .]" 1
804 1 51 PHE HA 1 52 ALA H 3.700 . 3.700 3.597 3.550 3.657 . 0 0 "[ . 1 . 2 .]" 1
805 1 54 LEU HA 1 55 ARG H 4.500 . 4.500 3.536 3.446 3.605 . 0 0 "[ . 1 . 2 .]" 1
806 1 55 ARG HA 1 56 MET H 3.600 . 3.600 3.431 3.394 3.474 . 0 0 "[ . 1 . 2 .]" 1
807 1 57 GLU HA 1 58 LYS H 3.600 . 3.600 3.440 3.390 3.494 . 0 0 "[ . 1 . 2 .]" 1
808 1 60 HIS HA 1 61 ASN H 3.700 . 3.700 3.591 3.565 3.623 . 0 0 "[ . 1 . 2 .]" 1
809 1 61 ASN HA 1 62 TYR H 3.500 . 3.500 3.353 3.294 3.430 . 0 0 "[ . 1 . 2 .]" 1
810 1 66 VAL HA 1 67 ALA H 3.700 . 3.700 3.600 3.569 3.629 . 0 0 "[ . 1 . 2 .]" 1
811 1 67 ALA HA 1 68 GLU H 3.700 . 3.700 3.523 3.503 3.548 . 0 0 "[ . 1 . 2 .]" 1
812 1 69 THR HA 1 70 ALA H 3.700 . 3.700 3.583 3.541 3.611 . 0 0 "[ . 1 . 2 .]" 1
813 1 71 VAL HA 1 72 GLN H 3.700 . 3.700 3.517 3.480 3.558 . 0 0 "[ . 1 . 2 .]" 1
814 1 72 GLN HA 1 73 LEU H 3.600 . 3.600 3.475 3.453 3.538 . 0 0 "[ . 1 . 2 .]" 1
815 1 73 LEU HA 1 74 PHE H 3.700 . 3.700 3.556 3.525 3.590 . 0 0 "[ . 1 . 2 .]" 1
816 1 74 PHE HA 1 75 ILE H 3.500 . 3.500 3.294 3.224 3.515 0.015 18 0 "[ . 1 . 2 .]" 1
817 1 75 ILE HA 1 76 SER H 3.500 . 3.500 2.227 2.028 2.285 . 0 0 "[ . 1 . 2 .]" 1
818 1 76 SER HA 1 77 GLY H 4.500 . 4.500 2.207 2.184 2.230 . 0 0 "[ . 1 . 2 .]" 1
819 1 77 GLY HA3 1 78 ASP H 3.500 . 3.500 2.191 2.145 2.274 . 0 0 "[ . 1 . 2 .]" 1
820 1 77 GLY HA2 1 78 ASP H 3.500 . 3.500 3.418 3.378 3.459 . 0 0 "[ . 1 . 2 .]" 1
821 1 78 ASP HA 1 79 LYS H 3.500 . 3.500 3.024 2.987 3.054 . 0 0 "[ . 1 . 2 .]" 1
822 1 79 LYS HA 1 80 VAL H 3.500 . 3.500 2.365 2.312 2.415 . 0 0 "[ . 1 . 2 .]" 1
823 1 80 VAL HA 1 81 ASN H 2.500 . 2.500 2.240 2.211 2.272 . 0 0 "[ . 1 . 2 .]" 1
824 1 81 ASN HA 1 82 VAL H 3.500 . 3.500 3.217 3.163 3.273 . 0 0 "[ . 1 . 2 .]" 1
825 1 82 VAL HA 1 83 ALA H 3.500 . 3.500 2.083 1.965 2.167 . 0 0 "[ . 1 . 2 .]" 1
826 1 83 ALA HA 1 84 GLY H 3.500 . 3.500 3.321 3.021 3.544 0.044 22 0 "[ . 1 . 2 .]" 1
827 1 84 GLY HA3 1 85 LEU H 3.500 . 3.500 2.717 2.592 2.807 . 0 0 "[ . 1 . 2 .]" 1
828 1 84 GLY HA2 1 85 LEU H 2.700 . 2.700 2.650 2.533 2.764 0.064 5 0 "[ . 1 . 2 .]" 1
829 1 85 LEU HA 1 86 VAL H 2.500 . 2.500 2.146 2.087 2.196 . 0 0 "[ . 1 . 2 .]" 1
830 1 86 VAL HA 1 87 LEU H 2.500 . 2.500 2.268 2.200 2.318 . 0 0 "[ . 1 . 2 .]" 1
831 1 87 LEU HA 1 88 ALA H 2.500 . 2.500 2.229 2.183 2.270 . 0 0 "[ . 1 . 2 .]" 1
832 1 88 ALA HA 1 89 GLY H 2.500 . 2.500 2.130 2.061 2.254 . 0 0 "[ . 1 . 2 .]" 1
833 1 89 GLY HA3 1 90 SER H 2.800 . 2.800 2.695 2.633 2.750 . 0 0 "[ . 1 . 2 .]" 1
834 1 89 GLY HA2 1 90 SER H 2.500 . 2.500 2.352 2.280 2.423 . 0 0 "[ . 1 . 2 .]" 1
835 1 90 SER HA 1 91 ALA H 3.500 . 3.500 2.387 2.321 2.452 . 0 0 "[ . 1 . 2 .]" 1
836 1 91 ALA HA 1 92 ASP H 3.500 . 3.500 2.891 2.787 2.984 . 0 0 "[ . 1 . 2 .]" 1
837 1 92 ASP HA 1 93 PHE H 3.500 . 3.500 2.803 2.761 2.867 . 0 0 "[ . 1 . 2 .]" 1
838 1 93 PHE HA 1 94 LYS H 5.500 . 5.500 3.523 3.476 3.562 . 0 0 "[ . 1 . 2 .]" 1
839 1 95 THR HA 1 96 GLU H 3.700 . 3.700 3.540 3.493 3.595 . 0 0 "[ . 1 . 2 .]" 1
840 1 98 SER HA 1 99 GLN H 3.600 . 3.600 3.515 3.471 3.564 . 0 0 "[ . 1 . 2 .]" 1
841 1 100 SER HA 1 101 ASP H 3.600 . 3.600 3.551 3.502 3.591 . 0 0 "[ . 1 . 2 .]" 1
842 1 101 ASP HA 1 102 MET H 4.500 . 4.500 3.519 3.467 3.607 . 0 0 "[ . 1 . 2 .]" 1
843 1 103 PHE HA 1 104 ASP H 3.600 . 3.600 2.536 2.143 3.542 . 0 0 "[ . 1 . 2 .]" 1
844 1 104 ASP HA 1 105 GLN H 3.500 . 3.500 2.198 2.092 2.356 . 0 0 "[ . 1 . 2 .]" 1
845 1 107 LEU HA 1 108 GLN H 3.700 . 3.700 3.486 3.321 3.652 . 0 0 "[ . 1 . 2 .]" 1
846 1 109 SER HA 1 110 LYS H 3.500 . 3.500 3.325 3.287 3.405 . 0 0 "[ . 1 . 2 .]" 1
847 1 110 LYS HA 1 111 VAL H 3.500 . 3.500 2.980 2.794 3.038 . 0 0 "[ . 1 . 2 .]" 1
848 1 111 VAL HA 1 112 LEU H 2.500 . 2.500 1.923 1.871 1.968 . 0 0 "[ . 1 . 2 .]" 1
849 1 112 LEU HA 1 113 LYS H 3.500 . 3.500 3.523 3.496 3.552 0.052 3 0 "[ . 1 . 2 .]" 1
850 1 113 LYS HA 1 114 LEU H 2.500 . 2.500 2.358 2.313 2.414 . 0 0 "[ . 1 . 2 .]" 1
851 1 114 LEU HA 1 115 VAL H 2.500 . 2.500 2.394 2.315 2.462 . 0 0 "[ . 1 . 2 .]" 1
852 1 115 VAL HA 1 116 ASP H 3.500 . 3.500 2.564 2.518 2.633 . 0 0 "[ . 1 . 2 .]" 1
853 1 116 ASP HA 1 117 ILE H 3.500 . 3.500 2.819 2.768 2.869 . 0 0 "[ . 1 . 2 .]" 1
854 1 117 ILE HA 1 118 SER H 2.600 . 2.600 2.339 2.246 2.381 . 0 0 "[ . 1 . 2 .]" 1
855 1 118 SER HA 1 119 TYR H 3.600 . 3.600 3.545 3.522 3.562 . 0 0 "[ . 1 . 2 .]" 1
856 1 119 TYR HA 1 120 GLY H 3.500 . 3.500 2.368 2.324 2.423 . 0 0 "[ . 1 . 2 .]" 1
857 1 120 GLY HA2 1 121 GLY H 3.500 . 3.500 3.110 2.992 3.186 . 0 0 "[ . 1 . 2 .]" 1
858 1 121 GLY HA3 1 122 GLU H 3.500 . 3.500 2.218 2.001 2.494 . 0 0 "[ . 1 . 2 .]" 1
859 1 121 GLY HA2 1 122 GLU H 3.500 . 3.500 3.365 3.156 3.567 0.067 25 0 "[ . 1 . 2 .]" 1
860 1 122 GLU HA 1 123 ASN H 4.500 . 4.500 3.656 3.607 3.685 . 0 0 "[ . 1 . 2 .]" 1
861 1 123 ASN HA 1 124 GLY H 3.700 . 3.700 3.566 3.482 3.600 . 0 0 "[ . 1 . 2 .]" 1
862 1 124 GLY HA3 1 125 PHE H 3.500 . 3.500 2.635 2.560 2.809 . 0 0 "[ . 1 . 2 .]" 1
863 1 124 GLY HA2 1 125 PHE H 3.500 . 3.500 3.370 3.312 3.428 . 0 0 "[ . 1 . 2 .]" 1
864 1 125 PHE HA 1 126 ASN H 3.800 . 3.800 3.600 3.563 3.623 . 0 0 "[ . 1 . 2 .]" 1
865 1 126 ASN HA 1 127 GLN H 3.800 . 3.800 3.639 3.556 3.681 . 0 0 "[ . 1 . 2 .]" 1
866 1 127 GLN HA 1 128 ALA H 3.700 . 3.700 3.544 3.506 3.598 . 0 0 "[ . 1 . 2 .]" 1
867 1 128 ALA HA 1 129 ILE H 3.600 . 3.600 3.520 3.479 3.549 . 0 0 "[ . 1 . 2 .]" 1
868 1 129 ILE HA 1 130 GLU H 3.600 . 3.600 3.480 3.413 3.528 . 0 0 "[ . 1 . 2 .]" 1
869 1 130 GLU HA 1 131 LEU H 3.600 . 3.600 3.503 3.427 3.564 . 0 0 "[ . 1 . 2 .]" 1
870 1 131 LEU HA 1 132 SER H 3.700 . 3.700 3.536 3.486 3.578 . 0 0 "[ . 1 . 2 .]" 1
871 1 133 THR HA 1 134 GLU H 3.600 . 3.600 3.427 3.308 3.533 . 0 0 "[ . 1 . 2 .]" 1
872 1 134 GLU HA 1 135 VAL H 3.600 . 3.600 3.543 3.460 3.690 0.090 19 0 "[ . 1 . 2 .]" 1
873 1 135 VAL H 1 136 LEU HA 5.500 . 5.500 4.921 4.611 5.457 . 0 0 "[ . 1 . 2 .]" 1
874 1 135 VAL HA 1 136 LEU H 4.500 . 4.500 3.275 3.154 3.630 . 0 0 "[ . 1 . 2 .]" 1
875 1 34 THR H 1 35 VAL HA 5.500 . 5.500 4.637 4.515 4.762 . 0 0 "[ . 1 . 2 .]" 1
876 1 35 VAL H 1 36 ASP HA 5.500 . 5.500 4.970 4.906 5.046 . 0 0 "[ . 1 . 2 .]" 1
877 1 4 ASP HA 1 5 SER H 3.500 . 3.500 2.269 2.218 2.364 . 0 0 "[ . 1 . 2 .]" 1
878 1 7 PHE HA 1 8 GLY H 3.500 . 3.500 2.195 2.124 2.273 . 0 0 "[ . 1 . 2 .]" 1
879 1 15 SER H 1 16 GLY HA3 5.500 . 5.500 4.583 4.520 4.663 . 0 0 "[ . 1 . 2 .]" 1
880 1 15 SER H 1 16 GLY HA2 5.500 . 5.500 4.993 4.769 5.064 . 0 0 "[ . 1 . 2 .]" 1
881 1 8 GLY HA2 1 9 PHE H 2.500 . 2.500 2.268 1.923 2.435 . 0 0 "[ . 1 . 2 .]" 1
882 1 8 GLY HA3 1 9 PHE H 3.500 . 3.500 2.773 2.656 3.047 . 0 0 "[ . 1 . 2 .]" 1
883 1 9 PHE HA 1 10 ILE H 2.500 . 2.500 2.330 2.176 2.391 . 0 0 "[ . 1 . 2 .]" 1
884 1 15 SER QB 1 16 GLY H 4.500 . 4.500 3.900 3.807 4.025 . 0 0 "[ . 1 . 2 .]" 1
885 1 17 ALA MB 1 18 LEU H 4.500 . 4.500 2.833 2.755 2.891 . 0 0 "[ . 1 . 2 .]" 1
886 1 18 LEU HB3 1 19 PHE H 4.500 . 4.500 4.379 4.318 4.443 . 0 0 "[ . 1 . 2 .]" 1
887 1 18 LEU HB2 1 19 PHE H 4.600 . 4.600 4.391 4.314 4.463 . 0 0 "[ . 1 . 2 .]" 1
888 1 21 THR HB 1 22 LEU H 4.500 . 4.500 3.543 3.335 3.847 . 0 0 "[ . 1 . 2 .]" 1
889 1 25 ASN H 1 26 THR HB 5.500 . 5.500 4.909 4.405 5.220 . 0 0 "[ . 1 . 2 .]" 1
890 1 25 ASN HB3 1 26 THR H 4.500 . 4.500 4.158 3.528 4.541 0.041 14 0 "[ . 1 . 2 .]" 1
891 1 25 ASN HB2 1 26 THR H 4.500 . 4.500 3.847 3.635 4.447 . 0 0 "[ . 1 . 2 .]" 1
892 1 26 THR HB 1 27 ARG H 4.500 . 4.500 3.297 3.022 3.959 . 0 0 "[ . 1 . 2 .]" 1
893 1 28 GLU HB2 1 29 VAL H 3.800 . 3.800 3.742 3.456 3.850 0.050 20 0 "[ . 1 . 2 .]" 1
894 1 28 GLU HB3 1 29 VAL H 3.500 . 3.500 2.553 2.391 3.167 . 0 0 "[ . 1 . 2 .]" 1
895 1 31 HIS HB2 1 32 LYS H 4.500 . 4.500 4.254 4.126 4.439 . 0 0 "[ . 1 . 2 .]" 1
896 1 31 HIS HB3 1 32 LYS H 3.600 . 3.600 3.144 2.774 3.592 . 0 0 "[ . 1 . 2 .]" 1
897 1 32 LYS QB 1 33 PHE H 4.500 . 4.500 3.068 2.734 3.617 . 0 0 "[ . 1 . 2 .]" 1
898 1 33 PHE HB3 1 34 THR H 3.500 . 3.500 3.375 3.186 3.573 0.073 12 0 "[ . 1 . 2 .]" 1
899 1 33 PHE HB2 1 34 THR H 3.500 . 3.500 2.026 1.913 2.194 . 0 0 "[ . 1 . 2 .]" 1
900 1 34 THR HB 1 35 VAL H 3.600 . 3.600 3.466 3.407 3.511 . 0 0 "[ . 1 . 2 .]" 1
901 1 36 ASP HB3 1 37 LEU H 4.500 . 4.500 3.879 3.155 4.452 . 0 0 "[ . 1 . 2 .]" 1
902 1 36 ASP HB2 1 37 LEU H 4.500 . 4.500 3.973 3.465 4.474 . 0 0 "[ . 1 . 2 .]" 1
903 1 38 PRO HB2 1 39 LYS H 3.500 . 3.500 3.600 3.487 3.700 0.200 23 0 "[ . 1 . 2 .]" 1
904 1 39 LYS HB3 1 40 LYS H 3.500 . 3.500 3.293 2.754 3.545 0.045 3 0 "[ . 1 . 2 .]" 1
905 1 39 LYS HB2 1 40 LYS H 3.500 . 3.500 2.982 2.500 3.560 0.060 15 0 "[ . 1 . 2 .]" 1
906 1 41 HIS QB 1 42 GLY H 4.500 . 4.500 3.620 1.753 3.980 . 0 0 "[ . 1 . 2 .]" 1
907 1 46 GLN HB3 1 47 SER H 4.500 . 4.500 3.438 2.842 4.064 . 0 0 "[ . 1 . 2 .]" 1
908 1 46 GLN HB2 1 47 SER H 5.500 . 5.500 4.408 4.142 4.513 . 0 0 "[ . 1 . 2 .]" 1
909 1 47 SER HB2 1 48 ALA H 4.500 . 4.500 3.682 3.070 4.379 . 0 0 "[ . 1 . 2 .]" 1
910 1 47 SER HB3 1 48 ALA H 4.500 . 4.500 3.665 2.884 4.394 . 0 0 "[ . 1 . 2 .]" 1
911 1 48 ALA MB 1 49 LEU H 3.500 . 3.500 2.622 2.446 2.716 . 0 0 "[ . 1 . 2 .]" 1
912 1 50 ARG QB 1 51 PHE H 3.500 . 3.500 2.937 2.699 3.210 . 0 0 "[ . 1 . 2 .]" 1
913 1 51 PHE QB 1 52 ALA H 3.500 . 3.500 2.297 2.028 2.564 . 0 0 "[ . 1 . 2 .]" 1
914 1 52 ALA MB 1 53 ARG H 3.500 . 3.500 2.654 2.529 2.760 . 0 0 "[ . 1 . 2 .]" 1
915 1 53 ARG QB 1 54 LEU H 2.800 . 2.800 2.569 2.470 2.719 . 0 0 "[ . 1 . 2 .]" 1
916 1 54 LEU QB 1 55 ARG H 3.500 . 3.500 2.719 2.433 3.036 . 0 0 "[ . 1 . 2 .]" 1
917 1 59 ARG HB3 1 60 HIS H 3.500 . 3.500 2.637 2.486 3.517 0.017 5 0 "[ . 1 . 2 .]" 1
918 1 60 HIS QB 1 61 ASN H 2.700 . 2.700 2.618 2.440 2.755 0.055 2 0 "[ . 1 . 2 .]" 1
919 1 61 ASN HB3 1 62 TYR H 3.700 . 3.700 3.562 3.446 3.645 . 0 0 "[ . 1 . 2 .]" 1
920 1 61 ASN HB2 1 62 TYR H 3.500 . 3.500 2.366 2.292 2.464 . 0 0 "[ . 1 . 2 .]" 1
921 1 64 ARG HB3 1 65 LYS H 4.500 . 4.500 2.357 2.292 2.491 . 0 0 "[ . 1 . 2 .]" 1
922 1 64 ARG HB2 1 65 LYS H 4.500 . 4.500 3.567 3.258 3.715 . 0 0 "[ . 1 . 2 .]" 1
923 1 65 LYS HB2 1 66 VAL H 4.500 . 4.500 3.493 2.901 3.817 . 0 0 "[ . 1 . 2 .]" 1
924 1 65 LYS HB3 1 66 VAL H 4.500 . 4.500 2.646 2.487 3.065 . 0 0 "[ . 1 . 2 .]" 1
925 1 66 VAL HB 1 67 ALA H 3.500 . 3.500 2.634 2.490 2.839 . 0 0 "[ . 1 . 2 .]" 1
926 1 67 ALA MB 1 68 GLU H 2.700 . 2.700 2.591 2.539 2.643 . 0 0 "[ . 1 . 2 .]" 1
927 1 68 GLU HB3 1 69 THR H 4.500 . 4.500 3.138 2.602 3.692 . 0 0 "[ . 1 . 2 .]" 1
928 1 68 GLU HB2 1 69 THR H 3.500 . 3.500 3.057 2.584 3.520 0.020 15 0 "[ . 1 . 2 .]" 1
929 1 71 VAL HB 1 72 GLN H 4.500 . 4.500 4.058 3.971 4.120 . 0 0 "[ . 1 . 2 .]" 1
930 1 72 GLN HB3 1 73 LEU H 4.500 . 4.500 3.477 3.386 3.578 . 0 0 "[ . 1 . 2 .]" 1
931 1 72 GLN HB2 1 73 LEU H 2.800 . 2.800 2.620 2.553 2.740 . 0 0 "[ . 1 . 2 .]" 1
932 1 73 LEU HB2 1 74 PHE H 3.500 . 3.500 3.130 3.052 3.191 . 0 0 "[ . 1 . 2 .]" 1
933 1 73 LEU HB3 1 74 PHE H 4.500 . 4.500 3.018 2.960 3.148 . 0 0 "[ . 1 . 2 .]" 1
934 1 74 PHE HB2 1 75 ILE H 3.500 . 3.500 3.303 2.363 3.408 . 0 0 "[ . 1 . 2 .]" 1
935 1 74 PHE HB3 1 75 ILE H 3.800 . 3.800 3.920 3.344 3.984 0.184 5 0 "[ . 1 . 2 .]" 1
936 1 78 ASP QB 1 79 LYS H 4.500 . 4.500 3.645 3.483 3.886 . 0 0 "[ . 1 . 2 .]" 1
937 1 79 LYS HB3 1 80 VAL H 2.500 . 2.500 2.468 2.396 2.538 0.038 14 0 "[ . 1 . 2 .]" 1
938 1 79 LYS HB2 1 80 VAL H 4.500 . 4.500 3.767 3.516 3.879 . 0 0 "[ . 1 . 2 .]" 1
939 1 80 VAL HB 1 81 ASN H 4.600 . 4.600 4.385 4.346 4.443 . 0 0 "[ . 1 . 2 .]" 1
940 1 82 VAL HB 1 83 ALA H 3.500 . 3.500 2.793 2.625 3.081 . 0 0 "[ . 1 . 2 .]" 1
941 1 83 ALA MB 1 84 GLY H 4.500 . 4.500 3.248 2.772 3.407 . 0 0 "[ . 1 . 2 .]" 1
942 1 85 LEU HB2 1 86 VAL H 4.500 . 4.500 4.194 4.103 4.323 . 0 0 "[ . 1 . 2 .]" 1
943 1 85 LEU HB3 1 86 VAL H 3.500 . 3.500 3.021 2.858 3.225 . 0 0 "[ . 1 . 2 .]" 1
944 1 86 VAL HB 1 87 LEU H 4.500 . 4.500 4.189 3.849 4.352 . 0 0 "[ . 1 . 2 .]" 1
945 1 87 LEU HB3 1 88 ALA H 3.600 . 3.600 3.335 3.243 3.437 . 0 0 "[ . 1 . 2 .]" 1
946 1 87 LEU HB2 1 88 ALA H 4.500 . 4.500 4.094 3.878 4.222 . 0 0 "[ . 1 . 2 .]" 1
947 1 88 ALA MB 1 89 GLY H 4.500 . 4.500 3.030 2.896 3.150 . 0 0 "[ . 1 . 2 .]" 1
948 1 90 SER HB3 1 91 ALA H 3.500 . 3.500 3.038 2.522 3.481 . 0 0 "[ . 1 . 2 .]" 1
949 1 91 ALA MB 1 92 ASP H 3.700 . 3.700 3.595 3.531 3.657 . 0 0 "[ . 1 . 2 .]" 1
950 1 92 ASP QB 1 93 PHE H 3.900 . 3.900 3.777 3.716 3.816 . 0 0 "[ . 1 . 2 .]" 1
951 1 95 THR HB 1 96 GLU H 2.900 . 2.900 2.486 2.301 2.698 . 0 0 "[ . 1 . 2 .]" 1
952 1 96 GLU H 1 97 LEU QB 4.500 . 4.500 4.417 4.174 4.575 0.075 1 0 "[ . 1 . 2 .]" 1
953 1 97 LEU HB2 1 98 SER H 2.900 . 2.900 2.831 2.674 2.968 0.068 5 0 "[ . 1 . 2 .]" 1
954 1 97 LEU HB3 1 98 SER H 4.500 . 4.500 3.246 2.863 3.527 . 0 0 "[ . 1 . 2 .]" 1
955 1 97 LEU QB 1 98 SER H 3.500 . 3.500 2.645 2.587 2.738 . 0 0 "[ . 1 . 2 .]" 1
956 1 98 SER HB2 1 99 GLN H 4.500 . 4.500 2.534 1.836 3.442 . 0 0 "[ . 1 . 2 .]" 1
957 1 98 SER HB3 1 99 GLN H 4.500 . 4.500 2.354 1.751 3.466 . 0 0 "[ . 1 . 2 .]" 1
958 1 99 GLN H 1 100 SER HB2 5.700 . 5.700 5.662 5.502 5.758 0.058 7 0 "[ . 1 . 2 .]" 1
959 1 100 SER HB2 1 101 ASP H 4.500 . 4.500 4.193 3.951 4.353 . 0 0 "[ . 1 . 2 .]" 1
960 1 100 SER HB3 1 101 ASP H 3.500 . 3.500 3.075 2.765 3.257 . 0 0 "[ . 1 . 2 .]" 1
961 1 103 PHE HB3 1 104 ASP H 3.500 . 3.500 2.931 1.676 3.359 . 0 0 "[ . 1 . 2 .]" 1
962 1 103 PHE HB2 1 104 ASP H 4.500 . 4.500 3.869 3.262 4.048 . 0 0 "[ . 1 . 2 .]" 1
963 1 104 ASP HB3 1 105 GLN H 4.500 . 4.500 3.363 3.266 3.484 . 0 0 "[ . 1 . 2 .]" 1
964 1 105 GLN QB 1 106 ARG H 3.500 . 3.500 2.617 2.518 2.754 . 0 0 "[ . 1 . 2 .]" 1
965 1 106 ARG HB2 1 107 LEU H 4.500 . 4.500 3.527 3.064 4.040 . 0 0 "[ . 1 . 2 .]" 1
966 1 109 SER H 1 110 LYS HB2 4.500 . 4.500 4.336 4.057 4.525 0.025 18 0 "[ . 1 . 2 .]" 1
967 1 109 SER H 1 110 LYS HB3 5.900 . 5.900 5.823 5.561 5.942 0.042 19 0 "[ . 1 . 2 .]" 1
968 1 109 SER QB 1 110 LYS H 4.500 . 4.500 3.451 3.280 3.845 . 0 0 "[ . 1 . 2 .]" 1
969 1 111 VAL HB 1 112 LEU H 4.500 . 4.500 4.292 4.239 4.346 . 0 0 "[ . 1 . 2 .]" 1
970 1 112 LEU HB2 1 113 LYS H 3.500 . 3.500 3.089 2.887 3.259 . 0 0 "[ . 1 . 2 .]" 1
971 1 113 LYS QB 1 114 LEU H 4.500 . 4.500 2.987 2.646 3.466 . 0 0 "[ . 1 . 2 .]" 1
972 1 114 LEU QB 1 115 VAL H 4.500 . 4.500 3.356 3.180 3.519 . 0 0 "[ . 1 . 2 .]" 1
973 1 115 VAL HB 1 116 ASP H 3.900 . 3.900 3.709 3.597 3.863 . 0 0 "[ . 1 . 2 .]" 1
974 1 116 ASP HB3 1 117 ILE H 3.500 . 3.500 2.946 2.573 3.211 . 0 0 "[ . 1 . 2 .]" 1
975 1 116 ASP HB2 1 117 ILE H 4.500 . 4.500 3.941 3.837 4.016 . 0 0 "[ . 1 . 2 .]" 1
976 1 117 ILE HB 1 118 SER H 3.500 . 3.500 3.187 3.113 3.271 . 0 0 "[ . 1 . 2 .]" 1
977 1 118 SER HB3 1 119 TYR H 3.500 . 3.500 3.213 3.149 3.464 . 0 0 "[ . 1 . 2 .]" 1
978 1 118 SER HB2 1 119 TYR H 3.500 . 3.500 2.585 2.455 3.575 0.075 20 0 "[ . 1 . 2 .]" 1
979 1 119 TYR HB2 1 120 GLY H 3.500 . 3.500 3.177 3.032 3.534 0.034 20 0 "[ . 1 . 2 .]" 1
980 1 119 TYR HB3 1 120 GLY H 4.500 . 4.500 4.169 2.921 4.323 . 0 0 "[ . 1 . 2 .]" 1
981 1 122 GLU HB2 1 123 ASN H 4.500 . 4.500 3.843 2.576 4.516 0.016 23 0 "[ . 1 . 2 .]" 1
982 1 123 ASN HB3 1 124 GLY H 4.500 . 4.500 3.646 2.969 3.927 . 0 0 "[ . 1 . 2 .]" 1
983 1 123 ASN HB2 1 124 GLY H 2.900 . 2.900 2.843 2.691 2.980 0.080 13 0 "[ . 1 . 2 .]" 1
984 1 125 PHE QB 1 126 ASN H 3.800 . 3.800 2.506 2.437 2.611 . 0 0 "[ . 1 . 2 .]" 1
985 1 125 PHE HB3 1 126 ASN H 2.700 . 2.700 2.535 2.463 2.647 . 0 0 "[ . 1 . 2 .]" 1
986 1 125 PHE HB2 1 126 ASN H 4.500 . 4.500 3.925 3.871 3.990 . 0 0 "[ . 1 . 2 .]" 1
987 1 127 GLN HB2 1 128 ALA H 3.500 . 3.500 3.072 2.909 3.528 0.028 2 0 "[ . 1 . 2 .]" 1
988 1 127 GLN HB3 1 128 ALA H 4.500 . 4.500 3.012 2.582 3.184 . 0 0 "[ . 1 . 2 .]" 1
989 1 129 ILE HB 1 130 GLU H 2.800 . 2.800 2.471 2.067 2.660 . 0 0 "[ . 1 . 2 .]" 1
990 1 130 GLU HB2 1 131 LEU H 4.500 . 4.500 3.587 3.481 3.681 . 0 0 "[ . 1 . 2 .]" 1
991 1 130 GLU HB3 1 131 LEU H 3.500 . 3.500 2.206 2.124 2.265 . 0 0 "[ . 1 . 2 .]" 1
992 1 131 LEU HB2 1 132 SER H 3.500 . 3.500 2.609 2.450 2.751 . 0 0 "[ . 1 . 2 .]" 1
993 1 131 LEU HB3 1 132 SER H 4.500 . 4.500 3.532 3.246 3.692 . 0 0 "[ . 1 . 2 .]" 1
994 1 132 SER HB3 1 133 THR H 4.500 . 4.500 4.155 2.494 4.487 . 0 0 "[ . 1 . 2 .]" 1
995 1 133 THR H 1 134 GLU QB 4.500 . 4.500 3.657 3.032 4.561 0.061 25 0 "[ . 1 . 2 .]" 1
996 1 133 THR HB 1 134 GLU H 4.500 . 4.500 2.710 2.277 2.915 . 0 0 "[ . 1 . 2 .]" 1
997 1 134 GLU QB 1 135 VAL H 4.500 . 4.500 3.066 2.468 3.830 . 0 0 "[ . 1 . 2 .]" 1
998 1 40 LYS H 1 41 HIS QB 5.500 . 5.500 5.246 4.803 5.496 . 0 0 "[ . 1 . 2 .]" 1
999 1 78 ASP H 1 79 LYS QB 5.500 . 5.500 3.350 3.091 3.686 . 0 0 "[ . 1 . 2 .]" 1
1000 1 4 ASP HB2 1 5 SER H 3.900 . 3.900 3.831 3.645 3.966 0.066 22 0 "[ . 1 . 2 .]" 1
1001 1 4 ASP HB3 1 5 SER H 3.500 . 3.500 2.862 2.510 3.518 0.018 5 0 "[ . 1 . 2 .]" 1
1002 1 16 GLY H 1 17 ALA MB 5.500 . 5.500 4.263 4.050 4.659 . 0 0 "[ . 1 . 2 .]" 1
1003 1 9 PHE HB2 1 10 ILE H 4.700 . 4.700 4.607 4.441 4.650 . 0 0 "[ . 1 . 2 .]" 1
1004 1 9 PHE HB3 1 10 ILE H 3.800 . 3.800 3.794 3.657 3.828 0.028 23 0 "[ . 1 . 2 .]" 1
1005 1 13 ASP HB3 1 14 GLY H 2.900 . 2.900 2.676 2.548 2.883 . 0 0 "[ . 1 . 2 .]" 1
1006 1 12 ILE MG 1 13 ASP H 3.700 . 3.700 3.707 3.397 3.867 0.167 8 0 "[ . 1 . 2 .]" 1
1007 1 18 LEU MD2 1 19 PHE HA 3.800 . 3.800 3.353 3.250 3.450 . 0 0 "[ . 1 . 2 .]" 1
1008 1 18 LEU HA 1 19 PHE QD 4.100 . 4.100 3.558 2.870 3.781 . 0 0 "[ . 1 . 2 .]" 1
1009 1 18 LEU MD2 1 19 PHE H 3.700 . 3.700 3.541 3.458 3.656 . 0 0 "[ . 1 . 2 .]" 1
1010 1 18 LEU MD1 1 19 PHE H 4.600 . 4.600 4.363 4.182 4.593 . 0 0 "[ . 1 . 2 .]" 1
1011 1 22 LEU MD2 1 23 GLN HA 4.800 . 4.800 3.214 2.789 3.404 . 0 0 "[ . 1 . 2 .]" 1
1012 1 26 THR MG 1 27 ARG H 2.500 . 2.500 1.986 1.758 2.500 . 0 0 "[ . 1 . 2 .]" 1
1013 1 29 VAL MG1 1 30 LEU H 4.500 . 4.500 2.564 2.366 3.209 . 0 0 "[ . 1 . 2 .]" 1
1014 1 29 VAL MG2 1 30 LEU H 4.500 . 4.500 4.215 3.983 4.341 . 0 0 "[ . 1 . 2 .]" 1
1015 1 30 LEU QD 1 31 HIS H 4.500 . 4.500 3.809 2.194 4.083 . 0 0 "[ . 1 . 2 .]" 1
1016 1 33 PHE HA 1 34 THR MG 3.500 . 3.500 3.356 3.175 3.493 . 0 0 "[ . 1 . 2 .]" 1
1017 1 34 THR HA 1 35 VAL MG1 4.500 . 4.500 4.094 3.687 4.513 0.013 4 0 "[ . 1 . 2 .]" 1
1018 1 34 THR MG 1 35 VAL H 4.500 . 4.500 4.205 4.083 4.275 . 0 0 "[ . 1 . 2 .]" 1
1019 1 35 VAL MG1 1 36 ASP H 4.500 . 4.500 3.740 3.507 4.002 . 0 0 "[ . 1 . 2 .]" 1
1020 1 37 LEU HA 1 38 PRO HD2 3.700 . 3.700 3.692 3.634 3.727 0.027 11 0 "[ . 1 . 2 .]" 1
1021 1 37 LEU HA 1 38 PRO HD3 3.500 . 3.500 3.270 3.205 3.357 . 0 0 "[ . 1 . 2 .]" 1
1022 1 37 LEU HB2 1 38 PRO HD3 3.800 . 3.800 3.538 3.425 3.626 . 0 0 "[ . 1 . 2 .]" 1
1023 1 37 LEU HB2 1 38 PRO HD2 3.500 . 3.500 2.447 2.293 2.541 . 0 0 "[ . 1 . 2 .]" 1
1024 1 37 LEU QB 1 38 PRO QD 4.100 . 4.100 1.864 1.853 1.885 0.047 17 0 "[ . 1 . 2 .]" 1
1025 1 37 LEU MD2 1 38 PRO HD3 3.900 . 3.900 3.424 3.218 3.706 . 0 0 "[ . 1 . 2 .]" 1
1026 1 37 LEU MD2 1 38 PRO HD2 4.100 . 4.100 3.925 3.801 4.072 . 0 0 "[ . 1 . 2 .]" 1
1027 1 37 LEU MD1 1 38 PRO HD2 4.500 . 4.500 3.698 3.495 3.899 . 0 0 "[ . 1 . 2 .]" 1
1028 1 37 LEU MD1 1 38 PRO HD3 5.500 . 5.500 4.266 4.078 4.469 . 0 0 "[ . 1 . 2 .]" 1
1029 1 37 LEU QD 1 38 PRO QD 3.600 . 3.600 2.962 2.904 3.053 . 0 0 "[ . 1 . 2 .]" 1
1030 1 37 LEU H 1 38 PRO HD3 5.500 . 5.500 5.203 5.112 5.291 . 0 0 "[ . 1 . 2 .]" 1
1031 1 37 LEU H 1 38 PRO HD2 5.500 . 5.500 4.588 4.448 4.700 . 0 0 "[ . 1 . 2 .]" 1
1032 1 37 LEU HB2 1 38 PRO HG3 5.300 . 5.300 5.297 5.159 5.357 0.057 11 0 "[ . 1 . 2 .]" 1
1033 1 37 LEU HB2 1 38 PRO HG2 5.500 . 5.500 4.651 4.477 4.819 . 0 0 "[ . 1 . 2 .]" 1
1034 1 37 LEU MD2 1 38 PRO HG2 5.800 . 5.800 5.593 5.443 5.827 0.027 3 0 "[ . 1 . 2 .]" 1
1035 1 37 LEU MD2 1 38 PRO HG3 5.800 . 5.800 5.438 5.213 5.736 . 0 0 "[ . 1 . 2 .]" 1
1036 1 38 PRO HG3 1 39 LYS H 4.600 . 4.600 4.039 3.799 4.210 . 0 0 "[ . 1 . 2 .]" 1
1037 1 49 LEU QD 1 50 ARG H 4.500 . 4.500 3.972 3.729 4.067 . 0 0 "[ . 1 . 2 .]" 1
1038 1 50 ARG HG2 1 51 PHE H 5.500 . 5.500 4.721 4.338 5.171 . 0 0 "[ . 1 . 2 .]" 1
1039 1 50 ARG HG3 1 51 PHE H 5.500 . 5.500 4.933 4.219 5.366 . 0 0 "[ . 1 . 2 .]" 1
1040 1 51 PHE QD 1 52 ALA HA 4.100 . 4.100 3.900 3.275 4.250 0.150 1 0 "[ . 1 . 2 .]" 1
1041 1 51 PHE QD 1 52 ALA H 5.500 . 5.500 3.534 2.717 4.151 . 0 0 "[ . 1 . 2 .]" 1
1042 1 54 LEU MD1 1 55 ARG HA 4.900 . 4.900 2.607 2.184 4.884 . 0 0 "[ . 1 . 2 .]" 1
1043 1 54 LEU QD 1 55 ARG H 4.500 . 4.500 2.691 2.056 3.538 . 0 0 "[ . 1 . 2 .]" 1
1044 1 55 ARG HA 1 56 MET HA 5.400 3.000 5.400 4.945 4.802 5.017 . 0 0 "[ . 1 . 2 .]" 1
1045 1 60 HIS HA 1 61 ASN HD21 4.800 . 4.800 4.702 4.577 4.807 0.007 7 0 "[ . 1 . 2 .]" 1
1046 1 61 ASN H 1 62 TYR QD 5.900 . 5.900 5.754 5.508 5.963 0.063 10 0 "[ . 1 . 2 .]" 1
1047 1 62 TYR QD 1 63 VAL HA 4.400 . 4.400 3.551 3.179 3.853 . 0 0 "[ . 1 . 2 .]" 1
1048 1 62 TYR QD 1 63 VAL H 4.500 . 4.500 2.812 2.340 3.254 . 0 0 "[ . 1 . 2 .]" 1
1049 1 63 VAL MG1 1 64 ARG H 4.500 . 4.500 2.977 2.801 3.285 . 0 0 "[ . 1 . 2 .]" 1
1050 1 63 VAL MG2 1 64 ARG H 4.500 . 4.500 4.098 3.961 4.161 . 0 0 "[ . 1 . 2 .]" 1
1051 1 66 VAL MG2 1 67 ALA H 5.500 . 5.500 3.852 3.722 4.165 . 0 0 "[ . 1 . 2 .]" 1
1052 1 66 VAL MG1 1 67 ALA H 5.500 3.000 5.500 3.544 3.010 3.676 . 0 0 "[ . 1 . 2 .]" 1
1053 1 69 THR MG 1 70 ALA H 3.500 . 3.500 3.268 3.016 3.459 . 0 0 "[ . 1 . 2 .]" 1
1054 1 71 VAL MG2 1 72 GLN H 5.500 . 5.500 1.976 1.870 2.066 . 0 0 "[ . 1 . 2 .]" 1
1055 1 71 VAL MG1 1 72 GLN H 3.600 . 3.600 3.209 3.035 3.398 . 0 0 "[ . 1 . 2 .]" 1
1056 1 72 GLN HA 1 73 LEU MD1 4.900 2.100 4.900 4.883 4.790 4.936 0.036 25 0 "[ . 1 . 2 .]" 1
1057 1 72 GLN HG3 1 73 LEU H 5.500 . 5.500 4.420 4.309 4.608 . 0 0 "[ . 1 . 2 .]" 1
1058 1 72 GLN HG2 1 73 LEU H 5.500 . 5.500 5.061 5.002 5.129 . 0 0 "[ . 1 . 2 .]" 1
1059 1 73 LEU MD2 1 74 PHE QE 4.500 . 4.500 3.862 3.614 4.211 . 0 0 "[ . 1 . 2 .]" 1
1060 1 73 LEU MD1 1 74 PHE QE 5.800 . 5.800 5.712 5.534 5.815 0.015 7 0 "[ . 1 . 2 .]" 1
1061 1 73 LEU MD2 1 74 PHE H 4.800 . 4.800 4.719 4.644 4.776 . 0 0 "[ . 1 . 2 .]" 1
1062 1 73 LEU MD1 1 74 PHE H 4.500 . 4.500 4.394 4.338 4.447 . 0 0 "[ . 1 . 2 .]" 1
1063 1 75 ILE MG 1 76 SER HA 4.500 . 4.500 3.674 3.589 3.756 . 0 0 "[ . 1 . 2 .]" 1
1064 1 78 ASP H 1 79 LYS QG 4.700 . 4.700 3.355 2.360 4.462 . 0 0 "[ . 1 . 2 .]" 1
1065 1 79 LYS QG 1 80 VAL H 4.000 . 4.000 3.613 3.020 4.021 0.021 6 0 "[ . 1 . 2 .]" 1
1066 1 80 VAL MG1 1 81 ASN H 2.600 . 2.600 2.454 2.374 2.551 . 0 0 "[ . 1 . 2 .]" 1
1067 1 80 VAL MG2 1 81 ASN H 5.500 . 5.500 3.749 3.682 3.894 . 0 0 "[ . 1 . 2 .]" 1
1068 1 81 ASN H 1 82 VAL MG2 4.500 . 4.500 3.047 2.931 3.229 . 0 0 "[ . 1 . 2 .]" 1
1069 1 82 VAL MG2 1 83 ALA H 5.500 3.000 5.500 4.052 3.924 4.202 . 0 0 "[ . 1 . 2 .]" 1
1070 1 84 GLY H 1 85 LEU MD2 5.500 . 5.500 4.973 3.741 5.436 . 0 0 "[ . 1 . 2 .]" 1
1071 1 85 LEU MD2 1 86 VAL H 5.500 . 5.500 2.462 2.286 2.840 . 0 0 "[ . 1 . 2 .]" 1
1072 1 86 VAL MG1 1 87 LEU H 5.500 3.000 5.500 2.927 2.895 2.954 0.105 11 0 "[ . 1 . 2 .]" 1
1073 1 86 VAL MG2 1 87 LEU H 5.500 3.000 5.500 4.261 4.130 4.431 . 0 0 "[ . 1 . 2 .]" 1
1074 1 92 ASP QB 1 93 PHE QD 5.600 . 5.600 5.623 4.902 5.699 0.099 5 0 "[ . 1 . 2 .]" 1
1075 1 95 THR MG 1 96 GLU H 3.500 . 3.500 3.388 3.056 3.552 0.052 9 0 "[ . 1 . 2 .]" 1
1076 1 97 LEU QD 1 98 SER H 5.500 . 5.500 4.090 3.923 4.200 . 0 0 "[ . 1 . 2 .]" 1
1077 1 98 SER HA 1 99 GLN HE22 5.300 . 5.300 5.078 4.750 5.365 0.065 10 0 "[ . 1 . 2 .]" 1
1078 1 103 PHE QD 1 104 ASP H 5.500 3.000 5.500 3.068 2.937 3.268 0.063 16 0 "[ . 1 . 2 .]" 1
1079 1 105 GLN QG 1 106 ARG H 4.500 . 4.500 4.020 3.487 4.528 0.028 8 0 "[ . 1 . 2 .]" 1
1080 1 106 ARG H 1 107 LEU MD1 4.600 . 4.600 4.646 4.545 4.714 0.114 20 0 "[ . 1 . 2 .]" 1
1081 1 111 VAL MG2 1 112 LEU H 3.500 . 3.500 2.994 2.825 3.110 . 0 0 "[ . 1 . 2 .]" 1
1082 1 111 VAL MG1 1 112 LEU H 4.000 . 4.000 3.958 3.895 4.009 0.009 2 0 "[ . 1 . 2 .]" 1
1083 1 112 LEU MD2 1 113 LYS H 4.500 . 4.500 4.418 4.176 4.519 0.019 20 0 "[ . 1 . 2 .]" 1
1084 1 112 LEU MD1 1 113 LYS H 4.500 . 4.500 4.440 3.712 4.543 0.043 12 0 "[ . 1 . 2 .]" 1
1085 1 114 LEU QD 1 115 VAL H 5.500 3.000 5.500 4.325 3.543 4.590 . 0 0 "[ . 1 . 2 .]" 1
1086 1 115 VAL QG 1 116 ASP H 3.500 . 3.500 2.008 1.837 2.194 . 0 0 "[ . 1 . 2 .]" 1
1087 1 117 ILE MD 1 118 SER H 5.100 . 5.100 4.975 4.888 5.041 . 0 0 "[ . 1 . 2 .]" 1
1088 1 117 ILE MG 1 118 SER H 3.500 . 3.500 3.335 2.935 3.533 0.033 18 0 "[ . 1 . 2 .]" 1
1089 1 118 SER HB3 1 119 TYR QD 4.200 . 4.200 4.252 4.215 4.272 0.072 8 0 "[ . 1 . 2 .]" 1
1090 1 118 SER HB2 1 119 TYR QD 3.800 . 3.800 3.803 3.423 3.856 0.056 24 0 "[ . 1 . 2 .]" 1
1091 1 119 TYR QD 1 120 GLY H 5.500 3.000 5.500 3.260 3.054 4.481 . 0 0 "[ . 1 . 2 .]" 1
1092 1 125 PHE QD 1 126 ASN H 5.500 . 5.500 3.545 3.342 3.839 . 0 0 "[ . 1 . 2 .]" 1
1093 1 128 ALA H 1 129 ILE MD 5.500 . 5.500 4.580 3.720 5.063 . 0 0 "[ . 1 . 2 .]" 1
1094 1 129 ILE MD 1 130 GLU H 5.500 . 5.500 4.266 4.016 4.393 . 0 0 "[ . 1 . 2 .]" 1
1095 1 129 ILE MG 1 130 GLU H 3.500 . 3.500 2.924 2.615 3.513 0.013 15 0 "[ . 1 . 2 .]" 1
1096 1 129 ILE HG13 1 130 GLU H 5.500 . 5.500 4.456 4.128 4.884 . 0 0 "[ . 1 . 2 .]" 1
1097 1 131 LEU MD1 1 132 SER H 5.500 . 5.500 4.396 4.174 4.566 . 0 0 "[ . 1 . 2 .]" 1
1098 1 131 LEU MD2 1 132 SER H 5.500 . 5.500 4.713 4.575 4.797 . 0 0 "[ . 1 . 2 .]" 1
1099 1 131 LEU HG 1 132 SER H 5.500 . 5.500 4.375 4.098 4.676 . 0 0 "[ . 1 . 2 .]" 1
1100 1 133 THR MG 1 134 GLU H 5.500 3.000 5.500 3.141 2.935 3.792 0.065 21 0 "[ . 1 . 2 .]" 1
1101 1 134 GLU H 1 135 VAL MG2 5.500 . 5.500 4.016 3.494 4.549 . 0 0 "[ . 1 . 2 .]" 1
1102 1 134 GLU H 1 135 VAL MG1 6.000 . 6.000 5.868 5.703 6.027 0.027 14 0 "[ . 1 . 2 .]" 1
1103 1 135 VAL H 1 136 LEU MD1 5.500 . 5.500 4.422 3.621 5.475 . 0 0 "[ . 1 . 2 .]" 1
1104 1 135 VAL H 1 136 LEU MD2 5.500 . 5.500 5.357 4.908 5.555 0.055 12 0 "[ . 1 . 2 .]" 1
1105 1 135 VAL MG2 1 136 LEU H 4.500 . 4.500 4.021 3.813 4.217 . 0 0 "[ . 1 . 2 .]" 1
1106 1 6 LYS HA 1 7 PHE QD 4.500 . 4.500 3.613 3.124 4.326 . 0 0 "[ . 1 . 2 .]" 1
1107 1 8 GLY HA2 1 9 PHE QD 4.700 . 4.700 4.735 4.411 4.793 0.093 20 0 "[ . 1 . 2 .]" 1
1108 1 8 GLY HA3 1 9 PHE QD 5.300 . 5.300 5.332 5.308 5.441 0.141 10 0 "[ . 1 . 2 .]" 1
1109 1 12 ILE MD 1 13 ASP H 3.500 . 3.500 2.982 1.894 3.569 0.069 20 0 "[ . 1 . 2 .]" 1
1110 1 12 ILE QG 1 13 ASP H 4.500 . 4.500 2.782 1.915 3.606 . 0 0 "[ . 1 . 2 .]" 1
1111 1 14 GLY H 1 14 GLY QA 2.500 . 2.500 2.179 2.158 2.230 . 0 0 "[ . 1 . 2 .]" 1
1112 1 121 GLY H 1 121 GLY HA3 2.600 . 2.600 2.301 2.240 2.431 . 0 0 "[ . 1 . 2 .]" 1
1113 1 7 PHE H 1 7 PHE HB3 4.500 . 4.500 3.809 3.741 3.887 . 0 0 "[ . 1 . 2 .]" 1
1114 1 10 ILE H 1 10 ILE HB 4.500 . 4.500 2.572 2.463 2.694 . 0 0 "[ . 1 . 2 .]" 1
1115 1 11 VAL H 1 11 VAL HB 4.500 . 4.500 2.736 2.534 2.922 . 0 0 "[ . 1 . 2 .]" 1
1116 1 12 ILE H 1 12 ILE HB 3.500 . 3.500 2.799 2.529 3.023 . 0 0 "[ . 1 . 2 .]" 1
1117 1 17 ALA H 1 17 ALA MB 2.800 . 2.800 2.633 2.569 2.690 . 0 0 "[ . 1 . 2 .]" 1
1118 1 18 LEU H 1 18 LEU HB3 3.500 . 3.500 2.550 2.473 2.609 . 0 0 "[ . 1 . 2 .]" 1
1119 1 18 LEU H 1 18 LEU HB2 3.500 . 3.500 3.118 3.021 3.234 . 0 0 "[ . 1 . 2 .]" 1
1120 1 19 PHE H 1 19 PHE HB2 3.500 . 3.500 2.354 2.259 2.633 . 0 0 "[ . 1 . 2 .]" 1
1121 1 19 PHE H 1 19 PHE HB3 3.700 . 3.700 3.552 3.487 3.738 0.038 12 0 "[ . 1 . 2 .]" 1
1122 1 22 LEU H 1 22 LEU HB3 3.500 . 3.500 2.919 2.836 3.014 . 0 0 "[ . 1 . 2 .]" 1
1123 1 22 LEU H 1 22 LEU HB2 3.500 . 3.500 2.762 2.684 2.863 . 0 0 "[ . 1 . 2 .]" 1
1124 1 23 GLN H 1 23 GLN HB3 4.500 . 4.500 3.201 3.014 3.425 . 0 0 "[ . 1 . 2 .]" 1
1125 1 25 ASN H 1 25 ASN HB2 3.500 . 3.500 2.474 2.205 3.090 . 0 0 "[ . 1 . 2 .]" 1
1126 1 26 THR H 1 26 THR HB 3.500 . 3.500 2.913 2.524 3.168 . 0 0 "[ . 1 . 2 .]" 1
1127 1 28 GLU H 1 28 GLU HB2 4.500 . 4.500 2.697 2.559 3.013 . 0 0 "[ . 1 . 2 .]" 1
1128 1 28 GLU H 1 28 GLU HB3 4.500 . 4.500 3.779 3.632 3.861 . 0 0 "[ . 1 . 2 .]" 1
1129 1 29 VAL H 1 29 VAL HB 4.500 . 4.500 2.764 2.505 2.940 . 0 0 "[ . 1 . 2 .]" 1
1130 1 30 LEU H 1 30 LEU HB3 4.500 . 4.500 3.420 2.301 3.702 . 0 0 "[ . 1 . 2 .]" 1
1131 1 31 HIS H 1 31 HIS HB2 3.500 . 3.500 2.834 2.727 2.948 . 0 0 "[ . 1 . 2 .]" 1
1132 1 32 LYS H 1 32 LYS QB 4.500 . 4.500 2.912 2.285 3.190 . 0 0 "[ . 1 . 2 .]" 1
1133 1 35 VAL H 1 35 VAL HB 3.800 . 3.800 2.725 2.584 2.860 . 0 0 "[ . 1 . 2 .]" 1
1134 1 36 ASP H 1 36 ASP HB2 3.500 . 3.500 2.876 2.093 3.549 0.049 7 0 "[ . 1 . 2 .]" 1
1135 1 36 ASP H 1 36 ASP HB3 3.500 . 3.500 3.035 2.086 3.544 0.044 20 0 "[ . 1 . 2 .]" 1
1136 1 37 LEU H 1 37 LEU HB2 4.500 . 4.500 2.548 2.428 2.710 . 0 0 "[ . 1 . 2 .]" 1
1137 1 37 LEU H 1 37 LEU HB3 4.500 . 4.500 3.541 3.496 3.660 . 0 0 "[ . 1 . 2 .]" 1
1138 1 39 LYS H 1 39 LYS HB2 3.500 . 3.500 2.232 2.036 2.498 . 0 0 "[ . 1 . 2 .]" 1
1139 1 39 LYS H 1 39 LYS HB3 3.600 . 3.600 3.435 3.216 3.592 . 0 0 "[ . 1 . 2 .]" 1
1140 1 41 HIS H 1 41 HIS HB2 3.500 . 3.500 2.997 2.623 3.536 0.036 6 0 "[ . 1 . 2 .]" 1
1141 1 48 ALA H 1 48 ALA MB 3.500 . 3.500 2.178 2.024 2.324 . 0 0 "[ . 1 . 2 .]" 1
1142 1 49 LEU H 1 49 LEU HB3 3.500 . 3.500 3.296 2.911 3.539 0.039 19 0 "[ . 1 . 2 .]" 1
1143 1 50 ARG H 1 50 ARG QB 3.500 . 3.500 2.386 2.231 2.495 . 0 0 "[ . 1 . 2 .]" 1
1144 1 51 PHE H 1 51 PHE QB 2.500 . 2.500 2.101 1.978 2.201 . 0 0 "[ . 1 . 2 .]" 1
1145 1 52 ALA H 1 52 ALA MB 2.500 . 2.500 2.138 2.048 2.261 . 0 0 "[ . 1 . 2 .]" 1
1146 1 53 ARG H 1 53 ARG QB 3.500 . 3.500 2.248 2.072 2.501 . 0 0 "[ . 1 . 2 .]" 1
1147 1 55 ARG H 1 55 ARG QB 3.500 . 3.500 2.402 2.162 2.891 . 0 0 "[ . 1 . 2 .]" 1
1148 1 60 HIS H 1 60 HIS QB 2.500 . 2.500 2.269 2.038 2.511 0.011 15 0 "[ . 1 . 2 .]" 1
1149 1 61 ASN H 1 61 ASN HB2 2.700 . 2.700 2.608 2.487 2.673 . 0 0 "[ . 1 . 2 .]" 1
1150 1 61 ASN H 1 61 ASN HB3 4.500 . 4.500 3.612 3.581 3.635 . 0 0 "[ . 1 . 2 .]" 1
1151 1 62 TYR H 1 62 TYR HB3 2.500 . 2.500 2.466 2.366 2.545 0.045 10 0 "[ . 1 . 2 .]" 1
1152 1 62 TYR H 1 62 TYR HB2 4.500 . 4.500 3.171 3.051 3.274 . 0 0 "[ . 1 . 2 .]" 1
1153 1 63 VAL H 1 63 VAL HB 2.500 . 2.500 2.265 2.178 2.405 . 0 0 "[ . 1 . 2 .]" 1
1154 1 64 ARG H 1 64 ARG HB2 3.500 . 3.500 2.435 2.203 2.592 . 0 0 "[ . 1 . 2 .]" 1
1155 1 64 ARG H 1 64 ARG HB3 3.500 . 3.500 2.665 2.492 3.025 . 0 0 "[ . 1 . 2 .]" 1
1156 1 65 LYS H 1 65 LYS HB3 4.500 . 4.500 3.030 2.715 3.476 . 0 0 "[ . 1 . 2 .]" 1
1157 1 65 LYS H 1 65 LYS HB2 2.500 . 2.500 2.311 2.158 2.498 . 0 0 "[ . 1 . 2 .]" 1
1158 1 66 VAL H 1 66 VAL HB 2.500 . 2.500 2.498 2.231 2.553 0.053 7 0 "[ . 1 . 2 .]" 1
1159 1 67 ALA H 1 67 ALA MB 2.500 . 2.500 2.175 2.081 2.231 . 0 0 "[ . 1 . 2 .]" 1
1160 1 68 GLU H 1 68 GLU HB3 4.500 . 4.500 3.297 2.833 3.600 . 0 0 "[ . 1 . 2 .]" 1
1161 1 68 GLU H 1 68 GLU HB2 2.500 . 2.500 2.222 2.080 2.474 . 0 0 "[ . 1 . 2 .]" 1
1162 1 69 THR H 1 69 THR HB 2.500 . 2.500 2.364 2.199 2.483 . 0 0 "[ . 1 . 2 .]" 1
1163 1 70 ALA H 1 70 ALA MB 2.500 . 2.500 2.156 2.063 2.249 . 0 0 "[ . 1 . 2 .]" 1
1164 1 71 VAL H 1 71 VAL HB 4.500 . 4.500 3.488 3.419 3.564 . 0 0 "[ . 1 . 2 .]" 1
1165 1 72 GLN H 1 72 GLN HB3 4.500 . 4.500 3.583 3.552 3.629 . 0 0 "[ . 1 . 2 .]" 1
1166 1 72 GLN H 1 72 GLN HB2 2.500 . 2.500 2.336 2.256 2.432 . 0 0 "[ . 1 . 2 .]" 1
1167 1 73 LEU H 1 73 LEU HB3 4.500 . 4.500 3.349 3.306 3.427 . 0 0 "[ . 1 . 2 .]" 1
1168 1 73 LEU H 1 73 LEU HB2 4.500 . 4.500 2.120 2.056 2.190 . 0 0 "[ . 1 . 2 .]" 1
1169 1 74 PHE H 1 74 PHE HB2 4.500 . 4.500 2.320 2.264 2.479 . 0 0 "[ . 1 . 2 .]" 1
1170 1 74 PHE H 1 74 PHE HB3 4.500 . 4.500 3.563 3.536 3.654 . 0 0 "[ . 1 . 2 .]" 1
1171 1 75 ILE H 1 75 ILE HB 4.500 . 4.500 2.924 2.835 2.969 . 0 0 "[ . 1 . 2 .]" 1
1172 1 76 SER H 1 76 SER HB3 4.500 . 4.500 2.850 2.775 3.869 . 0 0 "[ . 1 . 2 .]" 1
1173 1 76 SER H 1 76 SER HB2 4.500 . 4.500 3.766 3.334 3.840 . 0 0 "[ . 1 . 2 .]" 1
1174 1 78 ASP H 1 78 ASP QB 3.500 . 3.500 2.962 2.687 3.336 . 0 0 "[ . 1 . 2 .]" 1
1175 1 79 LYS H 1 79 LYS HB2 4.500 . 4.500 2.285 2.173 2.540 . 0 0 "[ . 1 . 2 .]" 1
1176 1 79 LYS H 1 79 LYS HB3 4.500 . 4.500 3.536 3.401 3.625 . 0 0 "[ . 1 . 2 .]" 1
1177 1 80 VAL H 1 80 VAL HB 4.500 . 4.500 2.885 2.723 2.933 . 0 0 "[ . 1 . 2 .]" 1
1178 1 83 ALA H 1 83 ALA MB 2.500 . 2.500 2.317 2.200 2.355 . 0 0 "[ . 1 . 2 .]" 1
1179 1 85 LEU H 1 85 LEU HB3 4.500 . 4.500 3.667 3.566 3.952 . 0 0 "[ . 1 . 2 .]" 1
1180 1 85 LEU H 1 85 LEU HB2 3.500 . 3.500 2.542 2.482 2.890 . 0 0 "[ . 1 . 2 .]" 1
1181 1 86 VAL H 1 86 VAL HB 4.500 . 4.500 2.713 2.553 3.096 . 0 0 "[ . 1 . 2 .]" 1
1182 1 87 LEU H 1 87 LEU HB2 4.500 . 4.500 2.702 2.590 2.983 . 0 0 "[ . 1 . 2 .]" 1
1183 1 87 LEU H 1 87 LEU HB3 4.500 . 4.500 3.713 3.682 3.737 . 0 0 "[ . 1 . 2 .]" 1
1184 1 88 ALA H 1 88 ALA MB 2.600 . 2.600 2.543 2.450 2.632 0.032 9 0 "[ . 1 . 2 .]" 1
1185 1 90 SER H 1 90 SER HB2 4.500 . 4.500 2.615 2.082 3.452 . 0 0 "[ . 1 . 2 .]" 1
1186 1 90 SER H 1 90 SER HB3 3.500 . 3.500 3.193 2.628 3.551 0.051 22 0 "[ . 1 . 2 .]" 1
1187 1 91 ALA H 1 91 ALA MB 3.500 . 3.500 2.751 2.682 2.807 . 0 0 "[ . 1 . 2 .]" 1
1188 1 92 ASP H 1 92 ASP QB 3.500 . 3.500 3.283 2.919 3.462 . 0 0 "[ . 1 . 2 .]" 1
1189 1 93 PHE H 1 93 PHE HB3 4.500 . 4.500 3.459 3.346 3.583 . 0 0 "[ . 1 . 2 .]" 1
1190 1 93 PHE H 1 93 PHE HB2 2.500 . 2.500 2.213 2.134 2.319 . 0 0 "[ . 1 . 2 .]" 1
1191 1 94 LYS H 1 94 LYS HB3 4.500 . 4.500 2.902 2.541 3.250 . 0 0 "[ . 1 . 2 .]" 1
1192 1 94 LYS H 1 94 LYS HB2 3.600 . 3.600 3.476 3.322 3.591 . 0 0 "[ . 1 . 2 .]" 1
1193 1 95 THR H 1 95 THR HB 3.500 . 3.500 2.804 2.585 2.965 . 0 0 "[ . 1 . 2 .]" 1
1194 1 96 GLU H 1 96 GLU HB2 4.500 . 4.500 2.286 2.098 2.672 . 0 0 "[ . 1 . 2 .]" 1
1195 1 97 LEU H 1 97 LEU HB3 4.500 . 4.500 3.509 3.309 3.618 . 0 0 "[ . 1 . 2 .]" 1
1196 1 97 LEU H 1 97 LEU HB2 2.500 . 2.500 2.243 2.029 2.414 . 0 0 "[ . 1 . 2 .]" 1
1197 1 97 LEU H 1 97 LEU QB 3.500 . 3.500 2.218 2.012 2.380 . 0 0 "[ . 1 . 2 .]" 1
1198 1 98 SER H 1 98 SER HB2 4.500 . 4.500 2.762 2.288 3.664 . 0 0 "[ . 1 . 2 .]" 1
1199 1 98 SER H 1 98 SER HB3 4.500 . 4.500 3.136 2.282 3.680 . 0 0 "[ . 1 . 2 .]" 1
1200 1 99 GLN H 1 99 GLN HB2 4.500 . 4.500 3.183 3.104 3.263 . 0 0 "[ . 1 . 2 .]" 1
1201 1 99 GLN H 1 99 GLN HB3 4.500 . 4.500 2.869 2.745 3.142 . 0 0 "[ . 1 . 2 .]" 1
1202 1 101 ASP H 1 101 ASP HB3 3.700 . 3.700 3.566 3.292 3.612 . 0 0 "[ . 1 . 2 .]" 1
1203 1 102 MET H 1 102 MET QB 2.500 . 2.500 2.397 2.221 2.639 0.139 12 0 "[ . 1 . 2 .]" 1
1204 1 103 PHE H 1 103 PHE HB2 3.500 . 3.500 2.122 2.034 2.211 . 0 0 "[ . 1 . 2 .]" 1
1205 1 104 ASP H 1 104 ASP HB2 3.500 . 3.500 2.528 2.358 3.343 . 0 0 "[ . 1 . 2 .]" 1
1206 1 104 ASP H 1 104 ASP HB3 3.500 . 3.500 2.992 2.876 3.426 . 0 0 "[ . 1 . 2 .]" 1
1207 1 105 GLN H 1 105 GLN QB 3.500 . 3.500 2.283 2.079 2.644 . 0 0 "[ . 1 . 2 .]" 1
1208 1 106 ARG H 1 106 ARG HB2 3.500 . 3.500 2.067 1.949 2.222 . 0 0 "[ . 1 . 2 .]" 1
1209 1 107 LEU H 1 107 LEU QB 2.600 . 2.600 2.489 2.386 2.606 0.006 20 0 "[ . 1 . 2 .]" 1
1210 1 108 GLN H 1 108 GLN QB 2.500 . 2.500 2.372 2.195 2.558 0.058 22 0 "[ . 1 . 2 .]" 1
1211 1 109 SER H 1 109 SER QB 2.500 . 2.500 2.202 2.058 2.426 . 0 0 "[ . 1 . 2 .]" 1
1212 1 110 LYS H 1 110 LYS HB3 4.500 . 4.500 3.575 3.326 3.700 . 0 0 "[ . 1 . 2 .]" 1
1213 1 110 LYS H 1 110 LYS HB2 2.600 . 2.600 2.434 2.333 2.546 . 0 0 "[ . 1 . 2 .]" 1
1214 1 111 VAL H 1 111 VAL HB 2.600 . 2.600 2.528 2.437 2.602 0.002 13 0 "[ . 1 . 2 .]" 1
1215 1 112 LEU H 1 112 LEU HB3 3.700 . 3.700 3.322 3.076 3.482 . 0 0 "[ . 1 . 2 .]" 1
1216 1 112 LEU H 1 112 LEU HB2 3.500 . 3.500 2.272 1.932 2.337 . 0 0 "[ . 1 . 2 .]" 1
1217 1 113 LYS H 1 113 LYS QB 4.500 . 4.500 2.791 2.703 2.871 . 0 0 "[ . 1 . 2 .]" 1
1218 1 114 LEU H 1 114 LEU QB 4.500 . 4.500 2.917 2.549 3.230 . 0 0 "[ . 1 . 2 .]" 1
1219 1 115 VAL H 1 115 VAL HB 4.500 . 4.500 2.861 2.742 3.001 . 0 0 "[ . 1 . 2 .]" 1
1220 1 116 ASP H 1 116 ASP HB2 2.500 . 2.500 2.290 2.091 2.486 . 0 0 "[ . 1 . 2 .]" 1
1221 1 116 ASP H 1 116 ASP HB3 4.500 . 4.500 2.704 2.505 2.906 . 0 0 "[ . 1 . 2 .]" 1
1222 1 118 SER H 1 118 SER HB2 3.500 . 3.500 2.506 2.426 3.580 0.080 20 0 "[ . 1 . 2 .]" 1
1223 1 119 TYR H 1 119 TYR HB2 4.500 . 4.500 3.930 3.210 3.987 . 0 0 "[ . 1 . 2 .]" 1
1224 1 122 GLU H 1 122 GLU HB2 3.500 . 3.500 2.634 2.186 3.014 . 0 0 "[ . 1 . 2 .]" 1
1225 1 123 ASN H 1 123 ASN HB2 2.700 . 2.700 2.557 2.265 2.756 0.056 19 0 "[ . 1 . 2 .]" 1
1226 1 123 ASN H 1 123 ASN HB3 4.500 . 4.500 3.644 3.489 3.701 . 0 0 "[ . 1 . 2 .]" 1
1227 1 125 PHE H 1 125 PHE HB2 2.700 . 2.700 2.573 2.462 2.650 . 0 0 "[ . 1 . 2 .]" 1
1228 1 125 PHE H 1 125 PHE HB3 2.600 . 2.600 2.357 2.243 2.459 . 0 0 "[ . 1 . 2 .]" 1
1229 1 126 ASN H 1 126 ASN QB 2.500 . 2.500 2.337 2.042 2.414 . 0 0 "[ . 1 . 2 .]" 1
1230 1 127 GLN H 1 127 GLN HB3 4.500 . 4.500 3.300 2.883 3.473 . 0 0 "[ . 1 . 2 .]" 1
1231 1 127 GLN H 1 127 GLN HB2 2.500 . 2.500 2.034 1.906 2.170 . 0 0 "[ . 1 . 2 .]" 1
1232 1 128 ALA H 1 128 ALA MB 2.500 . 2.500 2.205 2.038 2.245 . 0 0 "[ . 1 . 2 .]" 1
1233 1 129 ILE H 1 129 ILE HB 2.500 . 2.500 2.187 2.000 2.634 0.134 15 0 "[ . 1 . 2 .]" 1
1234 1 130 GLU H 1 130 GLU HB2 2.700 . 2.700 2.638 2.540 2.738 0.038 10 0 "[ . 1 . 2 .]" 1
1235 1 130 GLU H 1 130 GLU HB3 2.800 . 2.800 2.731 2.561 2.819 0.019 7 0 "[ . 1 . 2 .]" 1
1236 1 131 LEU H 1 131 LEU HB3 4.500 . 4.500 3.646 3.584 3.699 . 0 0 "[ . 1 . 2 .]" 1
1237 1 131 LEU H 1 131 LEU HB2 4.500 . 4.500 2.538 2.335 2.700 . 0 0 "[ . 1 . 2 .]" 1
1238 1 132 SER H 1 132 SER HB3 4.500 . 4.500 2.731 2.365 2.899 . 0 0 "[ . 1 . 2 .]" 1
1239 1 132 SER H 1 132 SER HB2 3.500 . 3.500 2.839 2.270 3.549 0.049 12 0 "[ . 1 . 2 .]" 1
1240 1 133 THR H 1 133 THR HB 2.700 . 2.700 2.460 2.076 2.778 0.078 15 0 "[ . 1 . 2 .]" 1
1241 1 134 GLU H 1 134 GLU QB 2.500 . 2.500 2.259 2.024 2.533 0.033 20 0 "[ . 1 . 2 .]" 1
1242 1 135 VAL H 1 135 VAL HB 2.500 . 2.500 2.415 2.248 2.522 0.022 16 0 "[ . 1 . 2 .]" 1
1243 1 136 LEU H 1 136 LEU HB2 2.700 . 2.700 2.651 2.259 2.778 0.078 8 0 "[ . 1 . 2 .]" 1
1244 1 136 LEU H 1 136 LEU HB3 4.500 . 4.500 3.764 3.450 3.850 . 0 0 "[ . 1 . 2 .]" 1
1245 1 4 ASP H 1 4 ASP HB2 2.500 . 2.500 2.413 2.178 2.542 0.042 24 0 "[ . 1 . 2 .]" 1
1246 1 4 ASP H 1 4 ASP HB3 3.600 . 3.600 3.344 2.652 3.600 . 12 0 "[ . 1 . 2 .]" 1
1247 1 5 SER H 1 5 SER HB2 3.500 . 3.500 2.786 2.616 2.959 . 0 0 "[ . 1 . 2 .]" 1
1248 1 5 SER H 1 5 SER HB3 4.500 . 4.500 3.834 3.755 3.871 . 0 0 "[ . 1 . 2 .]" 1
1249 1 7 PHE H 1 7 PHE HB2 4.500 . 4.500 2.684 2.564 2.831 . 0 0 "[ . 1 . 2 .]" 1
1250 1 15 SER HA 1 15 SER QB 2.500 . 2.500 2.200 2.186 2.215 . 0 0 "[ . 1 . 2 .]" 1
1251 1 31 HIS HA 1 31 HIS HB3 2.800 . 2.800 2.718 2.562 2.837 0.037 17 0 "[ . 1 . 2 .]" 1
1252 1 32 LYS HA 1 32 LYS QB 2.500 . 2.500 2.202 2.135 2.318 . 0 0 "[ . 1 . 2 .]" 1
1253 1 33 PHE HA 1 33 PHE HB3 2.500 . 2.500 2.402 2.321 2.526 0.026 12 0 "[ . 1 . 2 .]" 1
1254 1 33 PHE HA 1 33 PHE HB2 2.600 . 2.600 2.411 2.248 2.498 . 0 0 "[ . 1 . 2 .]" 1
1255 1 34 THR HA 1 34 THR HB 2.600 . 2.600 2.438 2.392 2.500 . 0 0 "[ . 1 . 2 .]" 1
1256 1 50 ARG HA 1 50 ARG QB 2.500 . 2.500 2.385 2.318 2.451 . 0 0 "[ . 1 . 2 .]" 1
1257 1 51 PHE HA 1 51 PHE QB 2.600 . 2.600 2.402 2.258 2.497 . 0 0 "[ . 1 . 2 .]" 1
1258 1 53 ARG HA 1 53 ARG QB 2.500 . 2.500 2.400 2.254 2.536 0.036 22 0 "[ . 1 . 2 .]" 1
1259 1 54 LEU HA 1 54 LEU QB 2.600 . 2.600 2.303 2.171 2.493 . 0 0 "[ . 1 . 2 .]" 1
1260 1 71 VAL HA 1 71 VAL HB 2.500 . 2.500 2.264 2.246 2.296 . 0 0 "[ . 1 . 2 .]" 1
1261 1 78 ASP HA 1 78 ASP QB 2.600 . 2.600 2.342 2.178 2.540 . 0 0 "[ . 1 . 2 .]" 1
1262 1 79 LYS HA 1 79 LYS HB3 2.600 . 2.600 2.578 2.412 2.674 0.074 11 0 "[ . 1 . 2 .]" 1
1263 1 82 VAL HA 1 82 VAL HB 2.900 . 2.900 2.657 2.591 2.708 . 0 0 "[ . 1 . 2 .]" 1
1264 1 92 ASP HA 1 92 ASP QB 2.600 . 2.600 2.377 2.215 2.520 . 0 0 "[ . 1 . 2 .]" 1
1265 1 101 ASP HA 1 101 ASP HB3 2.500 . 2.500 2.395 2.225 2.524 0.024 19 0 "[ . 1 . 2 .]" 1
1266 1 102 MET HA 1 102 MET QB 2.500 . 2.500 2.468 2.269 2.519 0.019 22 0 "[ . 1 . 2 .]" 1
1267 1 113 LYS HA 1 113 LYS QB 2.600 . 2.600 2.486 2.382 2.535 . 0 0 "[ . 1 . 2 .]" 1
1268 1 114 LEU HA 1 114 LEU QB 2.500 . 2.500 2.240 2.160 2.395 . 0 0 "[ . 1 . 2 .]" 1
1269 1 116 ASP HA 1 116 ASP HB2 2.700 . 2.700 2.647 2.546 2.740 0.040 4 0 "[ . 1 . 2 .]" 1
1270 1 123 ASN HA 1 123 ASN HB3 2.600 . 2.600 2.507 2.356 2.691 0.091 23 0 "[ . 1 . 2 .]" 1
1271 1 126 ASN HA 1 126 ASN QB 2.500 . 2.500 2.400 2.117 2.439 . 0 0 "[ . 1 . 2 .]" 1
1272 1 136 LEU HA 1 136 LEU HB3 2.700 . 2.700 2.534 2.476 2.591 . 0 0 "[ . 1 . 2 .]" 1
1273 1 9 PHE HA 1 9 PHE QD 3.500 . 3.500 2.805 2.688 2.875 . 0 0 "[ . 1 . 2 .]" 1
1274 1 9 PHE HB3 1 9 PHE QD 2.600 . 2.600 2.416 2.384 2.445 . 0 0 "[ . 1 . 2 .]" 1
1275 1 10 ILE HB 1 10 ILE MG 2.500 . 2.500 2.119 2.099 2.131 . 0 0 "[ . 1 . 2 .]" 1
1276 1 10 ILE HA 1 10 ILE MD 4.500 . 4.500 3.448 3.158 3.848 . 0 0 "[ . 1 . 2 .]" 1
1277 1 10 ILE HB 1 10 ILE MD 3.500 . 3.500 2.233 2.176 2.345 . 0 0 "[ . 1 . 2 .]" 1
1278 1 10 ILE H 1 10 ILE MD 4.500 . 4.500 2.813 2.149 3.829 . 0 0 "[ . 1 . 2 .]" 1
1279 1 10 ILE HA 1 10 ILE MG 3.500 . 3.500 2.326 2.255 2.400 . 0 0 "[ . 1 . 2 .]" 1
1280 1 10 ILE H 1 10 ILE MG 4.500 . 4.500 3.814 3.752 3.889 . 0 0 "[ . 1 . 2 .]" 1
1281 1 11 VAL HA 1 11 VAL MG2 3.500 . 3.500 2.453 2.287 2.618 . 0 0 "[ . 1 . 2 .]" 1
1282 1 11 VAL HA 1 11 VAL MG1 . . 2.500 2.229 2.173 2.304 . 0 0 "[ . 1 . 2 .]" 1
1283 1 11 VAL H 1 11 VAL MG2 4.500 . 4.500 2.297 1.989 2.756 0.011 9 0 "[ . 1 . 2 .]" 1
1284 1 11 VAL H 1 11 VAL MG1 4.500 . 4.500 3.874 3.761 3.921 . 0 0 "[ . 1 . 2 .]" 1
1285 1 12 ILE HA 1 12 ILE MD 3.500 . 3.500 2.709 2.267 3.584 0.084 5 0 "[ . 1 . 2 .]" 1
1286 1 12 ILE HA 1 12 ILE MG 3.500 . 3.500 3.138 3.108 3.189 . 0 0 "[ . 1 . 2 .]" 1
1287 1 12 ILE HB 1 12 ILE MD 3.500 . 3.500 2.613 2.114 3.231 . 0 0 "[ . 1 . 2 .]" 1
1288 1 12 ILE HB 1 12 ILE MG 2.500 . 2.500 2.119 2.091 2.153 . 0 0 "[ . 1 . 2 .]" 1
1289 1 12 ILE H 1 12 ILE MD 4.500 . 4.500 4.424 4.219 4.598 0.098 5 0 "[ . 1 . 2 .]" 1
1290 1 12 ILE HA 1 12 ILE HG13 4.500 . 4.500 2.950 2.415 3.593 . 0 0 "[ . 1 . 2 .]" 1
1291 1 12 ILE MD 1 12 ILE HG13 2.500 . 2.500 2.126 2.101 2.145 . 0 0 "[ . 1 . 2 .]" 1
1292 1 12 ILE H 1 12 ILE MG 4.500 . 4.500 2.216 1.918 2.666 0.082 7 0 "[ . 1 . 2 .]" 1
1293 1 12 ILE H 1 12 ILE HG13 4.800 . 4.800 4.617 4.459 4.828 0.028 4 0 "[ . 1 . 2 .]" 1
1294 1 18 LEU HA 1 18 LEU MD2 3.700 . 3.700 3.552 3.479 3.645 . 0 0 "[ . 1 . 2 .]" 1
1295 1 18 LEU HA 1 18 LEU MD1 3.500 . 3.500 3.387 3.319 3.470 . 0 0 "[ . 1 . 2 .]" 1
1296 1 18 LEU HA 1 18 LEU HG 4.500 . 4.500 2.455 2.386 2.581 . 0 0 "[ . 1 . 2 .]" 1
1297 1 18 LEU HB2 1 18 LEU MD1 3.500 . 3.500 2.157 2.135 2.189 . 0 0 "[ . 1 . 2 .]" 1
1298 1 18 LEU HB2 1 18 LEU MD2 3.500 . 3.500 3.094 3.054 3.131 . 0 0 "[ . 1 . 2 .]" 1
1299 1 18 LEU HB3 1 18 LEU MD2 3.500 . 3.500 2.172 2.139 2.195 . 0 0 "[ . 1 . 2 .]" 1
1300 1 18 LEU H 1 18 LEU MD2 4.500 . 4.500 3.898 3.803 3.997 . 0 0 "[ . 1 . 2 .]" 1
1301 1 18 LEU H 1 18 LEU MD1 4.700 . 4.700 4.606 4.525 4.673 . 0 0 "[ . 1 . 2 .]" 1
1302 1 18 LEU H 1 18 LEU HG 4.600 . 4.600 4.496 4.464 4.535 . 0 0 "[ . 1 . 2 .]" 1
1303 1 19 PHE HA 1 19 PHE QD 3.500 . 3.500 2.855 2.720 3.233 . 0 0 "[ . 1 . 2 .]" 1
1304 1 21 THR HA 1 21 THR MG 2.500 . 2.500 2.216 2.133 2.418 . 0 0 "[ . 1 . 2 .]" 1
1305 1 21 THR HB 1 21 THR MG 2.500 . 2.500 2.133 2.092 2.159 . 0 0 "[ . 1 . 2 .]" 1
1306 1 22 LEU HA 1 22 LEU MD1 4.500 . 4.500 3.718 3.664 3.757 . 0 0 "[ . 1 . 2 .]" 1
1307 1 22 LEU HA 1 22 LEU MD2 2.600 . 2.600 2.545 2.362 2.624 0.024 23 0 "[ . 1 . 2 .]" 1
1308 1 22 LEU H 1 22 LEU MD1 4.600 . 4.600 4.524 4.449 4.575 . 0 0 "[ . 1 . 2 .]" 1
1309 1 22 LEU H 1 22 LEU MD2 4.500 . 4.500 4.214 4.118 4.310 . 0 0 "[ . 1 . 2 .]" 1
1310 1 22 LEU HA 1 22 LEU HG 3.500 . 3.500 2.336 2.271 2.437 . 0 0 "[ . 1 . 2 .]" 1
1311 1 23 GLN HB2 1 23 GLN HE21 4.500 . 4.500 3.752 2.024 4.507 0.007 21 0 "[ . 1 . 2 .]" 1
1312 1 23 GLN HA 1 23 GLN HG2 3.700 . 3.700 3.623 3.525 3.801 0.101 16 0 "[ . 1 . 2 .]" 1
1313 1 23 GLN HE22 1 23 GLN HG3 3.700 . 3.700 3.550 3.503 3.753 0.053 24 0 "[ . 1 . 2 .]" 1
1314 1 23 GLN HE21 1 23 GLN HG3 3.500 . 3.500 2.361 2.239 2.911 . 0 0 "[ . 1 . 2 .]" 1
1315 1 23 GLN HE21 1 23 GLN HG2 3.500 . 3.500 3.190 2.613 3.537 0.037 24 0 "[ . 1 . 2 .]" 1
1316 1 25 ASN HA 1 25 ASN HD22 4.500 . 4.500 3.735 3.242 4.480 . 0 0 "[ . 1 . 2 .]" 1
1317 1 25 ASN HA 1 25 ASN HD21 3.500 . 3.500 2.736 1.871 3.478 . 0 0 "[ . 1 . 2 .]" 1
1318 1 25 ASN HB2 1 25 ASN HD21 3.500 . 3.500 3.273 2.291 3.559 0.059 8 0 "[ . 1 . 2 .]" 1
1319 1 25 ASN HB3 1 25 ASN HD21 3.500 . 3.500 2.823 2.253 3.563 0.063 19 0 "[ . 1 . 2 .]" 1
1320 1 26 THR HA 1 26 THR MG 4.500 . 4.500 2.186 2.125 2.287 . 0 0 "[ . 1 . 2 .]" 1
1321 1 26 THR HB 1 26 THR MG 2.500 . 2.500 2.143 2.122 2.164 . 0 0 "[ . 1 . 2 .]" 1
1322 1 26 THR H 1 26 THR MG 4.500 . 4.500 3.791 3.600 3.900 . 0 0 "[ . 1 . 2 .]" 1
1323 1 27 ARG HA 1 27 ARG HD3 4.800 . 4.800 4.798 4.466 5.045 0.245 3 0 "[ . 1 . 2 .]" 1
1324 1 27 ARG HA 1 27 ARG HD2 4.500 . 4.500 3.976 3.578 4.595 0.095 4 0 "[ . 1 . 2 .]" 1
1325 1 27 ARG HB3 1 27 ARG HD2 3.500 . 3.500 3.340 2.613 3.590 0.090 24 0 "[ . 1 . 2 .]" 1
1326 1 27 ARG HB2 1 27 ARG HD2 3.500 . 3.500 2.367 2.172 3.560 0.060 20 0 "[ . 1 . 2 .]" 1
1327 1 27 ARG HD2 1 27 ARG QG 2.500 . 2.500 2.414 2.248 2.531 0.031 11 0 "[ . 1 . 2 .]" 1
1328 1 29 VAL HA 1 29 VAL MG2 4.500 . 4.500 2.469 2.288 2.612 . 0 0 "[ . 1 . 2 .]" 1
1329 1 29 VAL HA 1 29 VAL MG1 2.500 . 2.500 2.267 2.180 2.351 . 0 0 "[ . 1 . 2 .]" 1
1330 1 29 VAL H 1 29 VAL MG2 2.500 . 2.500 2.338 2.138 2.512 0.012 23 0 "[ . 1 . 2 .]" 1
1331 1 29 VAL H 1 29 VAL MG1 4.500 . 4.500 3.871 3.779 3.903 . 0 0 "[ . 1 . 2 .]" 1
1332 1 30 LEU HA 1 30 LEU QD 4.500 . 4.500 2.311 1.960 3.364 0.040 2 0 "[ . 1 . 2 .]" 1
1333 1 30 LEU H 1 30 LEU QD 4.500 . 4.500 2.959 1.968 3.611 0.032 22 0 "[ . 1 . 2 .]" 1
1334 1 32 LYS HA 1 32 LYS QG 3.500 . 3.500 3.121 2.497 3.505 0.005 1 0 "[ . 1 . 2 .]" 1
1335 1 34 THR HA 1 34 THR MG 3.500 . 3.500 2.362 2.276 2.456 . 0 0 "[ . 1 . 2 .]" 1
1336 1 34 THR HB 1 34 THR MG 2.500 . 2.500 2.138 2.103 2.160 . 0 0 "[ . 1 . 2 .]" 1
1337 1 34 THR H 1 34 THR MG 4.500 . 4.500 2.920 2.797 3.027 . 0 0 "[ . 1 . 2 .]" 1
1338 1 35 VAL HA 1 35 VAL MG1 . . 3.500 3.171 3.151 3.186 . 0 0 "[ . 1 . 2 .]" 1
1339 1 35 VAL H 1 35 VAL MG1 3.500 . 3.500 2.150 1.760 2.575 . 0 0 "[ . 1 . 2 .]" 1
1340 1 35 VAL H 1 35 VAL MG2 4.500 . 4.500 3.809 3.738 3.837 . 0 0 "[ . 1 . 2 .]" 1
1341 1 37 LEU HA 1 37 LEU MD2 4.500 . 4.500 2.167 2.086 2.235 . 0 0 "[ . 1 . 2 .]" 1
1342 1 37 LEU HA 1 37 LEU MD1 4.500 . 4.500 3.840 3.800 3.929 . 0 0 "[ . 1 . 2 .]" 1
1343 1 37 LEU H 1 37 LEU MD2 3.500 . 3.500 3.298 2.753 3.536 0.036 10 0 "[ . 1 . 2 .]" 1
1344 1 37 LEU H 1 37 LEU MD1 4.500 . 4.500 3.366 3.081 3.674 . 0 0 "[ . 1 . 2 .]" 1
1345 1 37 LEU H 1 37 LEU HG 4.500 . 4.500 1.985 1.901 2.408 0.099 3 0 "[ . 1 . 2 .]" 1
1346 1 38 PRO HA 1 38 PRO HD2 4.500 . 4.500 3.633 3.565 3.669 . 0 0 "[ . 1 . 2 .]" 1
1347 1 38 PRO HA 1 38 PRO HD3 4.500 . 4.500 3.001 2.909 3.079 . 0 0 "[ . 1 . 2 .]" 1
1348 1 38 PRO HB2 1 38 PRO HD2 . . 3.500 2.806 2.702 2.968 . 0 0 "[ . 1 . 2 .]" 1
1349 1 38 PRO HD2 1 38 PRO HG2 . . 2.500 2.266 2.226 2.302 . 0 0 "[ . 1 . 2 .]" 1
1350 1 46 GLN HA 1 46 GLN HE22 4.600 . 4.600 4.577 4.438 4.719 0.119 4 0 "[ . 1 . 2 .]" 1
1351 1 46 GLN HB2 1 46 GLN HE21 4.500 . 4.500 3.628 2.119 4.510 0.010 1 0 "[ . 1 . 2 .]" 1
1352 1 46 GLN HB3 1 46 GLN HE21 4.500 . 4.500 2.631 1.986 3.966 . 0 0 "[ . 1 . 2 .]" 1
1353 1 46 GLN HA 1 46 GLN QG 3.500 . 3.500 2.297 2.232 2.371 . 0 0 "[ . 1 . 2 .]" 1
1354 1 46 GLN HE22 1 46 GLN QG 3.600 . 3.600 3.356 3.256 3.438 . 0 0 "[ . 1 . 2 .]" 1
1355 1 46 GLN H 1 46 GLN QG 4.500 . 4.500 3.412 2.788 3.971 . 0 0 "[ . 1 . 2 .]" 1
1356 1 49 LEU HA 1 49 LEU QD 2.500 . 2.500 2.222 1.955 2.472 . 0 0 "[ . 1 . 2 .]" 1
1357 1 49 LEU H 1 49 LEU QD 3.500 . 3.500 2.870 2.000 3.518 0.018 8 0 "[ . 1 . 2 .]" 1
1358 1 50 ARG HA 1 50 ARG QD 4.500 . 4.500 2.970 2.127 4.165 . 0 0 "[ . 1 . 2 .]" 1
1359 1 50 ARG H 1 50 ARG HD2 4.500 . 4.500 4.336 3.517 4.578 0.078 16 0 "[ . 1 . 2 .]" 1
1360 1 50 ARG H 1 50 ARG HD3 4.500 . 4.500 4.274 3.727 4.577 0.077 1 0 "[ . 1 . 2 .]" 1
1361 1 50 ARG HA 1 50 ARG HG2 3.600 . 3.600 2.640 2.280 3.015 . 0 0 "[ . 1 . 2 .]" 1
1362 1 50 ARG H 1 50 ARG HG2 3.600 . 3.600 2.732 2.029 3.609 0.009 15 0 "[ . 1 . 2 .]" 1
1363 1 50 ARG H 1 50 ARG HG3 3.700 . 3.700 3.047 1.854 3.717 0.017 3 0 "[ . 1 . 2 .]" 1
1364 1 51 PHE HA 1 51 PHE QD 3.500 . 3.500 2.486 2.142 2.973 . 0 0 "[ . 1 . 2 .]" 1
1365 1 51 PHE QB 1 51 PHE QD 2.500 . 2.500 2.151 2.132 2.182 . 0 0 "[ . 1 . 2 .]" 1
1366 1 51 PHE H 1 51 PHE QD 4.500 . 4.500 4.027 3.650 4.160 . 0 0 "[ . 1 . 2 .]" 1
1367 1 54 LEU HA 1 54 LEU QD 2.500 . 2.500 2.130 2.050 2.315 . 0 0 "[ . 1 . 2 .]" 1
1368 1 54 LEU QB 1 54 LEU QD 2.500 . 2.500 2.011 1.919 2.051 . 0 0 "[ . 1 . 2 .]" 1
1369 1 54 LEU H 1 54 LEU QD 4.500 . 4.500 3.520 3.206 3.758 . 0 0 "[ . 1 . 2 .]" 1
1370 1 55 ARG HA 1 55 ARG QD 4.500 . 4.500 4.171 3.760 4.282 . 0 0 "[ . 1 . 2 .]" 1
1371 1 56 MET HB2 1 56 MET ME 3.500 . 3.500 2.972 2.146 3.491 . 0 0 "[ . 1 . 2 .]" 1
1372 1 56 MET HB3 1 56 MET ME 3.500 . 3.500 2.547 2.213 3.313 . 0 0 "[ . 1 . 2 .]" 1
1373 1 56 MET HA 1 56 MET QG 3.500 . 3.500 2.450 2.257 2.806 . 0 0 "[ . 1 . 2 .]" 1
1374 1 56 MET HB2 1 56 MET QG 2.500 . 2.500 2.205 2.162 2.503 0.003 18 0 "[ . 1 . 2 .]" 1
1375 1 56 MET HB3 1 56 MET QG 2.600 . 2.600 2.500 2.236 2.548 . 0 0 "[ . 1 . 2 .]" 1
1376 1 59 ARG HB3 1 59 ARG HE 4.800 . 4.800 4.649 2.841 4.890 0.090 23 0 "[ . 1 . 2 .]" 1
1377 1 59 ARG HB2 1 59 ARG HE 4.600 . 4.600 4.340 3.722 4.521 . 0 0 "[ . 1 . 2 .]" 1
1378 1 59 ARG HA 1 59 ARG HD2 3.500 . 3.500 2.574 2.318 3.023 . 0 0 "[ . 1 . 2 .]" 1
1379 1 59 ARG HA 1 59 ARG HD3 3.600 . 3.600 3.205 2.365 3.631 0.031 12 0 "[ . 1 . 2 .]" 1
1380 1 59 ARG HA 1 59 ARG HG3 3.500 . 3.500 2.549 2.301 3.565 0.065 5 0 "[ . 1 . 2 .]" 1
1381 1 59 ARG HA 1 59 ARG HG2 3.700 . 3.700 3.587 2.436 3.730 0.030 21 0 "[ . 1 . 2 .]" 1
1382 1 61 ASN HB2 1 61 ASN HD21 3.500 . 3.500 2.608 2.554 2.687 . 0 0 "[ . 1 . 2 .]" 1
1383 1 61 ASN H 1 61 ASN HD21 4.500 . 4.500 1.346 1.231 1.472 . 0 0 "[ . 1 . 2 .]" 1
1384 1 61 ASN H 1 61 ASN HD22 4.500 . 4.500 2.878 2.742 3.059 . 0 0 "[ . 1 . 2 .]" 1
1385 1 62 TYR HA 1 62 TYR QD 3.500 . 3.500 2.766 2.407 3.056 . 0 0 "[ . 1 . 2 .]" 1
1386 1 62 TYR HB3 1 62 TYR QD 3.500 . 3.500 2.329 2.294 2.386 . 0 0 "[ . 1 . 2 .]" 1
1387 1 62 TYR HB2 1 62 TYR QD 3.500 . 3.500 2.549 2.428 2.633 . 0 0 "[ . 1 . 2 .]" 1
1388 1 63 VAL HA 1 63 VAL MG1 4.500 . 4.500 2.534 2.359 2.648 . 0 0 "[ . 1 . 2 .]" 1
1389 1 63 VAL HA 1 63 VAL MG2 2.500 . 2.500 2.223 2.182 2.339 . 0 0 "[ . 1 . 2 .]" 1
1390 1 63 VAL H 1 63 VAL MG1 4.500 . 4.500 3.668 3.621 3.708 . 0 0 "[ . 1 . 2 .]" 1
1391 1 63 VAL H 1 63 VAL MG2 4.500 . 4.500 2.509 2.142 2.645 . 0 0 "[ . 1 . 2 .]" 1
1392 1 64 ARG HA 1 64 ARG HE 4.500 . 4.500 4.315 3.849 4.535 0.035 25 0 "[ . 1 . 2 .]" 1
1393 1 64 ARG HB2 1 64 ARG HE 4.500 . 4.500 2.318 1.807 3.529 . 0 0 "[ . 1 . 2 .]" 1
1394 1 64 ARG HB3 1 64 ARG HE 4.500 . 4.500 2.282 1.774 3.212 . 0 0 "[ . 1 . 2 .]" 1
1395 1 64 ARG H 1 64 ARG QD 4.900 . 4.900 4.842 4.669 4.935 0.035 13 0 "[ . 1 . 2 .]" 1
1396 1 64 ARG H 1 64 ARG HG3 4.500 . 4.500 4.379 4.053 4.523 0.023 25 0 "[ . 1 . 2 .]" 1
1397 1 64 ARG H 1 64 ARG HG2 4.600 . 4.600 4.477 4.347 4.577 . 0 0 "[ . 1 . 2 .]" 1
1398 1 64 ARG H 1 64 ARG HE 4.500 . 4.500 4.152 3.800 4.492 . 0 0 "[ . 1 . 2 .]" 1
1399 1 66 VAL HA 1 66 VAL MG1 4.500 . 4.500 2.294 2.237 2.578 . 0 0 "[ . 1 . 2 .]" 1
1400 1 66 VAL HA 1 66 VAL MG2 2.500 . 2.500 2.261 2.164 2.322 . 0 0 "[ . 1 . 2 .]" 1
1401 1 66 VAL H 1 66 VAL MG2 4.500 . 4.500 2.271 2.180 2.749 . 0 0 "[ . 1 . 2 .]" 1
1402 1 66 VAL H 1 66 VAL MG1 4.500 . 4.500 3.734 3.646 3.754 . 0 0 "[ . 1 . 2 .]" 1
1403 1 69 THR HA 1 69 THR MG 3.500 . 3.500 2.466 2.365 2.625 . 0 0 "[ . 1 . 2 .]" 1
1404 1 69 THR H 1 69 THR MG 4.500 . 4.500 3.721 3.600 3.768 . 0 0 "[ . 1 . 2 .]" 1
1405 1 71 VAL HA 1 71 VAL MG1 2.800 . 2.800 2.677 2.604 2.748 . 0 0 "[ . 1 . 2 .]" 1
1406 1 71 VAL HA 1 71 VAL MG2 3.500 . 3.500 3.133 3.088 3.166 . 0 0 "[ . 1 . 2 .]" 1
1407 1 71 VAL H 1 71 VAL MG1 2.500 . 2.500 1.716 1.641 1.839 . 0 0 "[ . 1 . 2 .]" 1
1408 1 71 VAL H 1 71 VAL MG2 3.000 . 3.000 2.950 2.797 3.062 0.062 20 0 "[ . 1 . 2 .]" 1
1409 1 72 GLN HA 1 72 GLN HE21 4.600 . 4.600 4.524 4.256 4.631 0.031 9 0 "[ . 1 . 2 .]" 1
1410 1 72 GLN HB2 1 72 GLN HE21 4.500 . 4.500 2.594 2.104 3.013 . 0 0 "[ . 1 . 2 .]" 1
1411 1 72 GLN HB3 1 72 GLN HE21 3.500 . 3.500 2.306 1.946 2.602 . 0 0 "[ . 1 . 2 .]" 1
1412 1 72 GLN HA 1 72 GLN HG2 3.500 . 3.500 2.683 2.432 2.968 . 0 0 "[ . 1 . 2 .]" 1
1413 1 72 GLN HA 1 72 GLN HG3 3.500 . 3.500 2.547 2.349 2.783 . 0 0 "[ . 1 . 2 .]" 1
1414 1 72 GLN HE22 1 72 GLN HG2 3.900 . 3.900 3.745 3.633 3.788 . 0 0 "[ . 1 . 2 .]" 1
1415 1 72 GLN HE21 1 72 GLN HG2 2.900 . 2.900 2.831 2.583 2.914 0.014 23 0 "[ . 1 . 2 .]" 1
1416 1 72 GLN H 1 72 GLN HG2 4.500 . 4.500 3.940 3.822 4.026 . 0 0 "[ . 1 . 2 .]" 1
1417 1 72 GLN H 1 72 GLN HG3 2.700 . 2.700 2.598 2.441 2.714 0.014 23 0 "[ . 1 . 2 .]" 1
1418 1 73 LEU HA 1 73 LEU MD2 4.500 . 4.500 3.673 3.662 3.691 . 0 0 "[ . 1 . 2 .]" 1
1419 1 73 LEU HA 1 73 LEU MD1 4.500 . 4.500 2.256 2.207 2.342 . 0 0 "[ . 1 . 2 .]" 1
1420 1 73 LEU H 1 73 LEU MD2 4.500 . 4.500 4.097 3.984 4.235 . 0 0 "[ . 1 . 2 .]" 1
1421 1 73 LEU H 1 73 LEU MD1 2.600 . 2.600 2.547 2.458 2.630 0.030 25 0 "[ . 1 . 2 .]" 1
1422 1 73 LEU HA 1 73 LEU HG 3.500 . 3.500 2.321 2.245 2.364 . 0 0 "[ . 1 . 2 .]" 1
1423 1 73 LEU H 1 73 LEU HG 4.500 . 4.500 4.304 4.263 4.341 . 0 0 "[ . 1 . 2 .]" 1
1424 1 74 PHE HA 1 74 PHE QD . . 3.500 2.242 2.197 2.280 . 0 0 "[ . 1 . 2 .]" 1
1425 1 74 PHE HA 1 74 PHE QE 4.500 . 4.500 4.287 4.255 4.336 . 0 0 "[ . 1 . 2 .]" 1
1426 1 75 ILE HA 1 75 ILE MG 2.500 . 2.500 2.268 2.224 2.305 . 0 0 "[ . 1 . 2 .]" 1
1427 1 75 ILE HB 1 75 ILE MG 2.500 . 2.500 2.143 2.125 2.159 . 0 0 "[ . 1 . 2 .]" 1
1428 1 75 ILE HB 1 75 ILE MD 3.500 . 3.500 2.417 2.377 2.562 . 0 0 "[ . 1 . 2 .]" 1
1429 1 75 ILE H 1 75 ILE MD 4.500 . 4.500 4.157 3.822 4.231 . 0 0 "[ . 1 . 2 .]" 1
1430 1 75 ILE HA 1 75 ILE HG13 3.500 . 3.500 3.274 3.217 3.484 . 0 0 "[ . 1 . 2 .]" 1
1431 1 75 ILE H 1 75 ILE MG 4.500 . 4.500 3.950 3.812 3.979 . 0 0 "[ . 1 . 2 .]" 1
1432 1 75 ILE H 1 75 ILE HG13 2.600 . 2.600 2.657 2.234 2.733 0.133 4 0 "[ . 1 . 2 .]" 1
1433 1 79 LYS HA 1 79 LYS QG 2.500 . 2.500 2.318 2.209 2.530 0.030 10 0 "[ . 1 . 2 .]" 1
1434 1 80 VAL HA 1 80 VAL MG1 2.600 . 2.600 2.469 2.400 2.522 . 0 0 "[ . 1 . 2 .]" 1
1435 1 80 VAL HA 1 80 VAL MG2 2.500 . 2.500 2.165 2.146 2.209 . 0 0 "[ . 1 . 2 .]" 1
1436 1 80 VAL H 1 80 VAL MG1 4.500 . 4.500 3.805 3.714 3.866 . 0 0 "[ . 1 . 2 .]" 1
1437 1 80 VAL H 1 80 VAL MG2 4.500 . 4.500 3.361 3.301 3.444 . 0 0 "[ . 1 . 2 .]" 1
1438 1 81 ASN HA 1 81 ASN HD22 5.500 . 5.500 4.861 4.739 4.912 . 0 0 "[ . 1 . 2 .]" 1
1439 1 81 ASN H 1 81 ASN HD21 3.500 . 3.500 3.490 3.342 3.525 0.025 20 0 "[ . 1 . 2 .]" 1
1440 1 81 ASN H 1 81 ASN HD22 3.600 . 3.600 3.612 3.551 3.679 0.079 18 0 "[ . 1 . 2 .]" 1
1441 1 82 VAL HA 1 82 VAL MG2 . . 3.500 3.084 3.041 3.123 . 0 0 "[ . 1 . 2 .]" 1
1442 1 82 VAL HA 1 82 VAL MG1 2.500 . 2.500 2.087 2.040 2.154 . 0 0 "[ . 1 . 2 .]" 1
1443 1 82 VAL H 1 82 VAL MG2 2.500 . 2.500 2.108 2.051 2.163 . 0 0 "[ . 1 . 2 .]" 1
1444 1 82 VAL H 1 82 VAL MG1 4.500 . 4.500 3.446 3.264 3.558 . 0 0 "[ . 1 . 2 .]" 1
1445 1 85 LEU HA 1 85 LEU MD2 2.500 . 2.500 2.221 2.104 2.284 . 0 0 "[ . 1 . 2 .]" 1
1446 1 85 LEU HA 1 85 LEU MD1 4.500 . 4.500 3.695 3.636 3.752 . 0 0 "[ . 1 . 2 .]" 1
1447 1 85 LEU HB3 1 85 LEU MD1 3.500 . 3.500 2.517 2.349 2.638 . 0 0 "[ . 1 . 2 .]" 1
1448 1 85 LEU HB2 1 85 LEU MD1 3.500 . 3.500 2.202 2.149 2.240 . 0 0 "[ . 1 . 2 .]" 1
1449 1 85 LEU HB2 1 85 LEU MD2 3.500 . 3.500 3.178 3.141 3.213 . 0 0 "[ . 1 . 2 .]" 1
1450 1 85 LEU HB3 1 85 LEU MD2 3.500 . 3.500 2.235 2.195 2.274 . 0 0 "[ . 1 . 2 .]" 1
1451 1 85 LEU H 1 85 LEU MD2 4.500 . 4.500 4.378 4.179 4.461 . 0 0 "[ . 1 . 2 .]" 1
1452 1 85 LEU H 1 85 LEU MD1 4.500 . 4.500 4.096 3.943 4.459 . 0 0 "[ . 1 . 2 .]" 1
1453 1 85 LEU H 1 85 LEU HG 4.500 . 4.500 3.592 3.416 3.748 . 0 0 "[ . 1 . 2 .]" 1
1454 1 86 VAL HA 1 86 VAL MG2 2.600 . 2.600 2.428 2.281 2.683 0.083 10 0 "[ . 1 . 2 .]" 1
1455 1 86 VAL HA 1 86 VAL MG1 3.500 . 3.500 2.303 2.148 2.455 . 0 0 "[ . 1 . 2 .]" 1
1456 1 86 VAL H 1 86 VAL MG1 4.500 . 4.500 3.892 3.808 3.936 . 0 0 "[ . 1 . 2 .]" 1
1457 1 86 VAL H 1 86 VAL MG2 4.500 . 4.500 2.587 2.054 2.906 . 0 0 "[ . 1 . 2 .]" 1
1458 1 87 LEU HA 1 87 LEU MD2 3.500 . 3.500 2.435 2.151 3.036 . 0 0 "[ . 1 . 2 .]" 1
1459 1 87 LEU HA 1 87 LEU MD1 4.500 . 4.500 3.887 3.814 3.971 . 0 0 "[ . 1 . 2 .]" 1
1460 1 87 LEU HB3 1 87 LEU MD2 3.500 . 3.500 2.216 2.119 2.373 . 0 0 "[ . 1 . 2 .]" 1
1461 1 87 LEU HB3 1 87 LEU MD1 3.500 . 3.500 2.583 2.298 2.980 . 0 0 "[ . 1 . 2 .]" 1
1462 1 87 LEU H 1 87 LEU MD1 4.500 . 4.500 3.298 2.394 3.780 . 0 0 "[ . 1 . 2 .]" 1
1463 1 87 LEU H 1 87 LEU MD2 4.500 . 4.500 3.613 2.853 4.041 . 0 0 "[ . 1 . 2 .]" 1
1464 1 87 LEU HA 1 87 LEU HG 3.600 . 3.600 2.978 2.622 3.440 . 0 0 "[ . 1 . 2 .]" 1
1465 1 87 LEU H 1 87 LEU HG 2.500 . 2.500 2.370 1.945 2.560 0.060 22 0 "[ . 1 . 2 .]" 1
1466 1 93 PHE HA 1 93 PHE QD 3.500 . 3.500 2.516 2.310 2.868 . 0 0 "[ . 1 . 2 .]" 1
1467 1 93 PHE HB2 1 93 PHE QD 2.600 . 2.600 2.356 2.317 2.617 0.017 20 0 "[ . 1 . 2 .]" 1
1468 1 93 PHE H 1 93 PHE QD 4.500 . 4.500 3.383 2.987 3.584 . 0 0 "[ . 1 . 2 .]" 1
1469 1 95 THR HA 1 95 THR MG 2.500 . 2.500 2.346 2.249 2.520 0.020 21 0 "[ . 1 . 2 .]" 1
1470 1 95 THR HB 1 95 THR MG 2.500 . 2.500 2.129 2.091 2.153 . 0 0 "[ . 1 . 2 .]" 1
1471 1 95 THR H 1 95 THR MG 4.500 . 4.500 3.867 3.789 3.907 . 0 0 "[ . 1 . 2 .]" 1
1472 1 97 LEU HA 1 97 LEU QD 3.500 . 3.500 2.163 2.017 2.894 . 0 0 "[ . 1 . 2 .]" 1
1473 1 97 LEU H 1 97 LEU QD 4.500 . 4.500 3.184 2.028 3.598 . 0 0 "[ . 1 . 2 .]" 1
1474 1 97 LEU H 1 97 LEU HG 3.500 . 3.500 3.052 2.445 3.558 0.058 18 0 "[ . 1 . 2 .]" 1
1475 1 99 GLN HA 1 99 GLN HE21 3.700 . 3.700 3.744 3.665 3.784 0.084 20 0 "[ . 1 . 2 .]" 1
1476 1 99 GLN HB3 1 99 GLN HE21 4.500 . 4.500 2.538 1.870 2.856 . 0 0 "[ . 1 . 2 .]" 1
1477 1 99 GLN HB2 1 99 GLN HE21 4.500 . 4.500 3.753 3.403 3.905 . 0 0 "[ . 1 . 2 .]" 1
1478 1 99 GLN HB2 1 99 GLN HE22 4.900 . 4.900 4.831 4.733 4.902 0.002 12 0 "[ . 1 . 2 .]" 1
1479 1 99 GLN H 1 99 GLN HE21 4.500 . 4.500 4.012 3.840 4.147 . 0 0 "[ . 1 . 2 .]" 1
1480 1 99 GLN HA 1 99 GLN QG 3.600 . 3.600 2.933 2.665 3.006 . 0 0 "[ . 1 . 2 .]" 1
1481 1 99 GLN HE21 1 99 GLN QG 3.100 . 3.100 2.698 2.592 2.977 . 0 0 "[ . 1 . 2 .]" 1
1482 1 99 GLN HE22 1 99 GLN QG 3.700 . 3.700 3.476 3.438 3.570 . 0 0 "[ . 1 . 2 .]" 1
1483 1 99 GLN H 1 99 GLN QG 4.500 . 4.500 4.350 4.310 4.386 . 0 0 "[ . 1 . 2 .]" 1
1484 1 102 MET HA 1 102 MET ME 4.500 . 4.500 3.857 2.353 4.522 0.022 24 0 "[ . 1 . 2 .]" 1
1485 1 102 MET QB 1 102 MET ME 2.500 . 2.500 2.287 2.113 2.523 0.023 10 0 "[ . 1 . 2 .]" 1
1486 1 102 MET H 1 102 MET ME 4.500 . 4.500 4.106 3.492 4.566 0.066 12 0 "[ . 1 . 2 .]" 1
1487 1 103 PHE HA 1 103 PHE QD 2.500 . 2.500 2.300 2.261 2.343 . 0 0 "[ . 1 . 2 .]" 1
1488 1 103 PHE HB2 1 103 PHE QD 3.500 . 3.500 2.644 2.569 2.711 . 0 0 "[ . 1 . 2 .]" 1
1489 1 103 PHE H 1 103 PHE QD 4.500 . 4.500 3.817 3.657 3.929 . 0 0 "[ . 1 . 2 .]" 1
1490 1 105 GLN HA 1 105 GLN HE22 3.500 . 3.500 3.383 3.227 3.519 0.019 23 0 "[ . 1 . 2 .]" 1
1491 1 105 GLN HA 1 105 GLN HE21 3.500 . 3.500 2.514 1.788 3.428 . 0 0 "[ . 1 . 2 .]" 1
1492 1 105 GLN HE21 1 105 GLN QG 2.500 . 2.500 2.356 2.214 2.525 0.025 5 0 "[ . 1 . 2 .]" 1
1493 1 105 GLN HE22 1 105 GLN QG 3.500 . 3.500 3.351 3.296 3.407 . 0 0 "[ . 1 . 2 .]" 1
1494 1 105 GLN H 1 105 GLN QG 4.500 . 4.500 3.260 1.837 4.050 . 0 0 "[ . 1 . 2 .]" 1
1495 1 106 ARG HA 1 106 ARG HD2 3.600 . 3.600 3.133 2.483 3.733 0.133 8 0 "[ . 1 . 2 .]" 1
1496 1 106 ARG HA 1 106 ARG HD3 4.500 . 4.500 3.329 2.270 4.319 . 0 0 "[ . 1 . 2 .]" 1
1497 1 106 ARG HA 1 106 ARG HE 4.500 . 4.500 2.539 1.727 4.597 0.097 7 0 "[ . 1 . 2 .]" 1
1498 1 106 ARG HB2 1 106 ARG HE 4.500 . 4.500 2.680 1.874 3.222 . 0 0 "[ . 1 . 2 .]" 1
1499 1 106 ARG H 1 106 ARG HD3 5.500 . 5.500 4.865 3.163 5.566 0.066 4 0 "[ . 1 . 2 .]" 1
1500 1 106 ARG H 1 106 ARG HD2 4.800 . 4.800 4.724 4.325 4.848 0.048 20 0 "[ . 1 . 2 .]" 1
1501 1 106 ARG H 1 106 ARG HE 4.500 . 4.500 3.697 2.309 4.509 0.009 20 0 "[ . 1 . 2 .]" 1
1502 1 106 ARG HE 1 106 ARG HG3 3.500 . 3.500 3.276 2.411 3.623 0.123 14 0 "[ . 1 . 2 .]" 1
1503 1 107 LEU HA 1 107 LEU MD1 4.500 . 4.500 3.917 3.841 3.990 . 0 0 "[ . 1 . 2 .]" 1
1504 1 107 LEU HA 1 107 LEU MD2 3.500 . 3.500 2.574 2.384 2.970 . 0 0 "[ . 1 . 2 .]" 1
1505 1 107 LEU HB3 1 107 LEU MD1 3.500 . 3.500 2.721 2.644 2.804 . 0 0 "[ . 1 . 2 .]" 1
1506 1 107 LEU H 1 107 LEU MD2 4.500 . 4.500 3.539 3.371 3.671 . 0 0 "[ . 1 . 2 .]" 1
1507 1 107 LEU H 1 107 LEU MD1 4.500 . 4.500 2.806 2.627 2.903 . 0 0 "[ . 1 . 2 .]" 1
1508 1 107 LEU HA 1 107 LEU HG 3.500 . 3.500 2.853 2.637 3.039 . 0 0 "[ . 1 . 2 .]" 1
1509 1 107 LEU H 1 107 LEU HG 2.500 . 2.500 1.930 1.757 2.077 . 0 0 "[ . 1 . 2 .]" 1
1510 1 108 GLN HA 1 108 GLN HE21 3.500 . 3.500 3.003 2.051 3.543 0.043 4 0 "[ . 1 . 2 .]" 1
1511 1 108 GLN HA 1 108 GLN HE22 4.500 . 4.500 3.805 3.143 4.592 0.092 22 0 "[ . 1 . 2 .]" 1
1512 1 108 GLN QB 1 108 GLN HE22 4.500 . 4.500 3.996 3.399 4.310 . 0 0 "[ . 1 . 2 .]" 1
1513 1 108 GLN HE21 1 108 GLN HG3 4.500 . 4.500 3.374 3.122 3.541 . 0 0 "[ . 1 . 2 .]" 1
1514 1 108 GLN HE21 1 108 GLN HG2 2.500 . 2.500 2.338 2.226 2.569 0.069 10 0 "[ . 1 . 2 .]" 1
1515 1 108 GLN H 1 108 GLN HG2 3.600 . 3.600 2.760 2.036 3.748 0.148 4 0 "[ . 1 . 2 .]" 1
1516 1 108 GLN H 1 108 GLN HG3 4.500 . 4.500 3.707 3.344 4.226 . 0 0 "[ . 1 . 2 .]" 1
1517 1 111 VAL HA 1 111 VAL MG1 4.500 . 4.500 3.189 3.173 3.201 . 0 0 "[ . 1 . 2 .]" 1
1518 1 111 VAL HA 1 111 VAL MG2 2.500 . 2.500 2.288 2.234 2.328 . 0 0 "[ . 1 . 2 .]" 1
1519 1 111 VAL H 1 111 VAL MG1 4.500 . 4.500 2.268 2.130 2.432 . 0 0 "[ . 1 . 2 .]" 1
1520 1 111 VAL H 1 111 VAL MG2 4.500 . 4.500 3.818 3.791 3.853 . 0 0 "[ . 1 . 2 .]" 1
1521 1 112 LEU HA 1 112 LEU MD1 2.700 . 2.700 2.231 2.132 2.350 . 0 0 "[ . 1 . 2 .]" 1
1522 1 112 LEU HA 1 112 LEU MD2 4.500 . 4.500 3.603 2.223 3.680 . 0 0 "[ . 1 . 2 .]" 1
1523 1 112 LEU HA 1 112 LEU HG 3.500 . 3.500 2.367 2.279 3.537 0.037 5 0 "[ . 1 . 2 .]" 1
1524 1 112 LEU HB3 1 112 LEU MD2 3.500 . 3.500 2.340 2.219 3.223 . 0 0 "[ . 1 . 2 .]" 1
1525 1 112 LEU HB2 1 112 LEU MD2 3.500 . 3.500 2.350 2.267 2.517 . 0 0 "[ . 1 . 2 .]" 1
1526 1 112 LEU H 1 112 LEU MD2 4.500 . 4.500 4.265 3.202 4.383 . 0 0 "[ . 1 . 2 .]" 1
1527 1 112 LEU H 1 112 LEU MD1 4.500 . 4.500 3.094 2.764 4.126 . 0 0 "[ . 1 . 2 .]" 1
1528 1 112 LEU H 1 112 LEU HG 4.600 . 4.600 4.523 4.334 4.587 . 0 0 "[ . 1 . 2 .]" 1
1529 1 114 LEU HA 1 114 LEU QD 4.500 . 4.500 3.178 2.177 3.437 . 0 0 "[ . 1 . 2 .]" 1
1530 1 114 LEU H 1 114 LEU QD 4.500 . 4.500 2.149 1.913 3.139 0.087 16 0 "[ . 1 . 2 .]" 1
1531 1 114 LEU HA 1 114 LEU HG 3.700 . 3.700 3.269 2.332 3.827 0.127 24 0 "[ . 1 . 2 .]" 1
1532 1 115 VAL HA 1 115 VAL QG 2.500 . 2.500 2.092 2.044 2.123 . 0 0 "[ . 1 . 2 .]" 1
1533 1 115 VAL H 1 115 VAL QG 3.500 . 3.500 2.606 2.503 2.799 . 0 0 "[ . 1 . 2 .]" 1
1534 1 117 ILE HA 1 117 ILE MG 3.500 . 3.500 2.161 2.120 2.178 . 0 0 "[ . 1 . 2 .]" 1
1535 1 117 ILE HA 1 117 ILE MD 4.500 . 4.500 4.124 4.036 4.161 . 0 0 "[ . 1 . 2 .]" 1
1536 1 117 ILE H 1 117 ILE MD 4.500 . 4.500 3.669 3.561 3.801 . 0 0 "[ . 1 . 2 .]" 1
1537 1 117 ILE H 1 117 ILE MG 4.500 . 4.500 3.580 3.469 3.722 . 0 0 "[ . 1 . 2 .]" 1
1538 1 119 TYR HA 1 119 TYR QD 3.700 . 3.700 3.541 2.976 3.596 . 0 0 "[ . 1 . 2 .]" 1
1539 1 119 TYR HB3 1 119 TYR QD 2.700 . 2.700 2.568 2.429 2.621 . 0 0 "[ . 1 . 2 .]" 1
1540 1 119 TYR HB2 1 119 TYR QD 2.500 . 2.500 2.320 2.302 2.400 . 0 0 "[ . 1 . 2 .]" 1
1541 1 119 TYR H 1 119 TYR QD 3.500 . 3.500 2.687 2.580 3.073 . 0 0 "[ . 1 . 2 .]" 1
1542 1 119 TYR H 1 119 TYR QE 4.900 . 4.900 4.864 4.640 4.924 0.024 23 0 "[ . 1 . 2 .]" 1
1543 1 123 ASN HA 1 123 ASN HD22 4.500 . 4.500 4.116 3.295 4.516 0.016 6 0 "[ . 1 . 2 .]" 1
1544 1 123 ASN HA 1 123 ASN HD21 4.500 . 4.500 3.557 1.962 4.391 . 0 0 "[ . 1 . 2 .]" 1
1545 1 123 ASN HB3 1 123 ASN HD21 3.500 . 3.500 3.001 2.242 3.569 0.069 9 0 "[ . 1 . 2 .]" 1
1546 1 125 PHE HA 1 125 PHE QD . . 2.500 2.362 2.290 2.507 0.007 19 0 "[ . 1 . 2 .]" 1
1547 1 125 PHE H 1 125 PHE QD 4.500 . 4.500 4.150 4.084 4.195 . 0 0 "[ . 1 . 2 .]" 1
1548 1 126 ASN HA 1 126 ASN HD22 4.500 . 4.500 4.280 4.151 4.645 0.145 15 0 "[ . 1 . 2 .]" 1
1549 1 126 ASN HA 1 126 ASN HD21 4.000 . 4.000 3.923 3.703 4.018 0.018 16 0 "[ . 1 . 2 .]" 1
1550 1 126 ASN QB 1 126 ASN HD21 2.500 . 2.500 2.276 2.217 2.502 0.002 15 0 "[ . 1 . 2 .]" 1
1551 1 126 ASN H 1 126 ASN HD21 3.500 . 3.500 2.455 2.121 2.971 . 0 0 "[ . 1 . 2 .]" 1
1552 1 126 ASN H 1 126 ASN HD22 4.500 . 4.500 3.665 3.473 4.524 0.024 15 0 "[ . 1 . 2 .]" 1
1553 1 127 GLN HA 1 127 GLN HE21 4.500 . 4.500 4.107 3.818 4.322 . 0 0 "[ . 1 . 2 .]" 1
1554 1 127 GLN HA 1 127 GLN HE22 4.600 . 4.600 4.495 4.191 4.628 0.028 9 0 "[ . 1 . 2 .]" 1
1555 1 127 GLN HE21 1 127 GLN HG2 3.500 . 3.500 2.763 2.503 3.559 0.059 25 0 "[ . 1 . 2 .]" 1
1556 1 127 GLN HE21 1 127 GLN HG3 4.500 . 4.500 3.536 2.691 3.620 . 0 0 "[ . 1 . 2 .]" 1
1557 1 129 ILE HA 1 129 ILE MD . . 3.700 3.559 2.284 3.792 0.092 19 0 "[ . 1 . 2 .]" 1
1558 1 129 ILE HA 1 129 ILE MG 2.800 . 2.800 2.527 2.228 2.718 . 0 0 "[ . 1 . 2 .]" 1
1559 1 129 ILE MD 1 129 ILE MG 2.500 . 2.500 2.289 1.900 2.825 0.325 2 0 "[ . 1 . 2 .]" 1
1560 1 129 ILE H 1 129 ILE MD 4.500 . 4.500 3.014 2.015 3.450 . 0 0 "[ . 1 . 2 .]" 1
1561 1 129 ILE HA 1 129 ILE HG13 4.500 . 4.500 2.504 2.158 3.880 . 0 0 "[ . 1 . 2 .]" 1
1562 1 129 ILE MD 1 129 ILE HG13 2.500 . 2.500 2.110 2.097 2.121 . 0 0 "[ . 1 . 2 .]" 1
1563 1 129 ILE H 1 129 ILE MG 4.500 . 4.500 3.607 3.500 3.671 . 0 0 "[ . 1 . 2 .]" 1
1564 1 129 ILE H 1 129 ILE HG13 4.500 . 4.500 2.702 2.225 3.471 . 0 0 "[ . 1 . 2 .]" 1
1565 1 131 LEU HA 1 131 LEU HG 3.500 . 3.500 2.721 2.368 2.947 . 0 0 "[ . 1 . 2 .]" 1
1566 1 131 LEU H 1 131 LEU MD1 4.500 . 4.500 3.340 3.111 3.647 . 0 0 "[ . 1 . 2 .]" 1
1567 1 131 LEU H 1 131 LEU MD2 4.500 . 4.500 3.595 3.203 4.041 . 0 0 "[ . 1 . 2 .]" 1
1568 1 131 LEU H 1 131 LEU HG 3.500 . 3.500 2.223 1.886 2.759 . 0 0 "[ . 1 . 2 .]" 1
1569 1 133 THR HA 1 133 THR MG 2.600 . 2.600 2.550 2.214 2.667 0.067 6 0 "[ . 1 . 2 .]" 1
1570 1 133 THR HB 1 133 THR MG 2.500 . 2.500 2.127 2.097 2.148 . 0 0 "[ . 1 . 2 .]" 1
1571 1 133 THR H 1 133 THR MG 4.500 . 4.500 3.568 3.366 3.838 . 0 0 "[ . 1 . 2 .]" 1
1572 1 135 VAL HA 1 135 VAL MG1 3.500 . 3.500 2.294 2.212 2.475 . 0 0 "[ . 1 . 2 .]" 1
1573 1 135 VAL HA 1 135 VAL MG2 2.500 . 2.500 2.330 2.211 2.470 . 0 0 "[ . 1 . 2 .]" 1
1574 1 135 VAL H 1 135 VAL MG2 4.500 . 4.500 2.410 2.108 2.685 . 0 0 "[ . 1 . 2 .]" 1
1575 1 135 VAL H 1 135 VAL MG1 4.500 . 4.500 3.709 3.618 3.825 . 0 0 "[ . 1 . 2 .]" 1
1576 1 136 LEU HA 1 136 LEU MD2 2.500 . 2.500 2.266 2.073 2.498 . 0 0 "[ . 1 . 2 .]" 1
1577 1 136 LEU HB3 1 136 LEU MD2 2.500 . 2.500 2.215 2.139 2.271 . 0 0 "[ . 1 . 2 .]" 1
1578 1 136 LEU HB2 1 136 LEU MD2 . . 3.500 3.155 3.067 3.214 . 0 0 "[ . 1 . 2 .]" 1
1579 1 136 LEU HA 1 136 LEU MD1 4.500 . 4.500 3.784 3.701 3.867 . 0 0 "[ . 1 . 2 .]" 1
1580 1 136 LEU HB2 1 136 LEU MD1 2.500 . 2.500 2.241 2.160 2.356 . 0 0 "[ . 1 . 2 .]" 1
1581 1 136 LEU HB3 1 136 LEU MD1 3.500 . 3.500 2.551 2.278 2.783 . 0 0 "[ . 1 . 2 .]" 1
1582 1 136 LEU H 1 136 LEU MD1 4.500 . 4.500 3.811 3.392 4.414 . 0 0 "[ . 1 . 2 .]" 1
1583 1 136 LEU H 1 136 LEU MD2 4.500 . 4.500 4.080 3.305 4.495 . 0 0 "[ . 1 . 2 .]" 1
1584 1 136 LEU HA 1 136 LEU HG 3.500 . 3.500 2.672 2.304 2.989 . 0 0 "[ . 1 . 2 .]" 1
1585 1 136 LEU H 1 136 LEU HG 4.500 . 4.500 3.067 2.014 3.535 . 0 0 "[ . 1 . 2 .]" 1
1586 1 7 PHE HA 1 7 PHE QD . . 3.500 2.800 2.316 3.068 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 2
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 2.730
_Distance_constraint_stats_list.Viol_max 0.027
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0182
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 51 PHE 0.016 0.016 18 0 "[ . 1 . 2 .]"
1 54 LEU 0.016 0.016 18 0 "[ . 1 . 2 .]"
1 96 GLU 0.093 0.027 6 0 "[ . 1 . 2 .]"
1 98 SER 0.093 0.027 6 0 "[ . 1 . 2 .]"
1 100 SER 0.093 0.027 6 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 96 GLU H 1 98 SER H 4.500 . 4.500 4.402 4.184 4.527 0.027 6 0 "[ . 1 . 2 .]" 2
2 1 51 PHE QR 1 54 LEU H 5.500 . 5.500 5.259 4.863 5.516 0.016 18 0 "[ . 1 . 2 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 24
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 23.288
_Distance_constraint_stats_list.Viol_max 0.071
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0239
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 PHE 0.400 0.065 25 0 "[ . 1 . 2 .]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 VAL 0.486 0.071 4 0 "[ . 1 . 2 .]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 18 LEU 0.486 0.071 4 0 "[ . 1 . 2 .]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 GLY 0.400 0.065 25 0 "[ . 1 . 2 .]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 65 LYS 0.046 0.021 14 0 "[ . 1 . 2 .]"
1 69 THR 0.046 0.021 14 0 "[ . 1 . 2 .]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 PHE H 1 22 LEU O 2.200 . 2.400 1.839 1.634 2.117 . 0 0 "[ . 1 . 2 .]" 3
2 1 7 PHE N 1 22 LEU O 3.200 2.400 3.400 2.704 2.561 3.048 . 0 0 "[ . 1 . 2 .]" 3
3 1 8 GLY H 1 84 GLY O 2.200 . 2.400 2.109 1.801 2.370 . 0 0 "[ . 1 . 2 .]" 3
4 1 8 GLY N 1 84 GLY O 3.200 2.400 3.400 3.028 2.714 3.264 . 0 0 "[ . 1 . 2 .]" 3
5 1 9 PHE H 1 20 GLY O 2.200 . 2.400 1.961 1.732 2.192 . 0 0 "[ . 1 . 2 .]" 3
6 1 9 PHE N 1 20 GLY O 3.200 2.400 3.400 2.639 2.386 2.909 0.014 8 0 "[ . 1 . 2 .]" 3
7 1 10 ILE H 1 86 VAL O 2.200 . 2.400 2.027 1.863 2.342 . 0 0 "[ . 1 . 2 .]" 3
8 1 10 ILE N 1 86 VAL O 3.200 2.400 3.400 2.842 2.686 3.115 . 0 0 "[ . 1 . 2 .]" 3
9 1 11 VAL H 1 18 LEU O 2.200 . 2.400 2.306 2.090 2.424 0.024 16 0 "[ . 1 . 2 .]" 3
10 1 11 VAL N 1 18 LEU O 3.200 2.400 3.400 3.023 2.876 3.135 . 0 0 "[ . 1 . 2 .]" 3
11 1 12 ILE H 1 88 ALA O 2.200 . 2.400 2.154 1.870 2.279 . 0 0 "[ . 1 . 2 .]" 3
12 1 12 ILE N 1 88 ALA O 3.200 2.400 3.400 3.028 2.723 3.173 . 0 0 "[ . 1 . 2 .]" 3
13 1 11 VAL O 1 18 LEU H 2.200 . 2.400 2.366 1.996 2.471 0.071 4 0 "[ . 1 . 2 .]" 3
14 1 11 VAL O 1 18 LEU N 3.200 2.400 3.400 3.145 2.809 3.281 . 0 0 "[ . 1 . 2 .]" 3
15 1 19 PHE H 1 31 HIS O 2.200 . 2.400 1.982 1.619 2.284 . 0 0 "[ . 1 . 2 .]" 3
16 1 19 PHE N 1 31 HIS O 3.200 2.400 3.400 2.898 2.599 3.111 . 0 0 "[ . 1 . 2 .]" 3
17 1 9 PHE O 1 20 GLY H 2.200 . 2.400 2.370 2.100 2.465 0.065 25 0 "[ . 1 . 2 .]" 3
18 1 9 PHE O 1 20 GLY N 3.200 2.400 3.400 2.907 2.678 3.039 . 0 0 "[ . 1 . 2 .]" 3
19 1 8 GLY O 1 86 VAL H 2.200 . 2.400 2.123 1.630 2.392 . 0 0 "[ . 1 . 2 .]" 3
20 1 8 GLY O 1 86 VAL N 3.200 2.400 3.400 2.885 2.575 3.112 . 0 0 "[ . 1 . 2 .]" 3
21 1 10 ILE O 1 88 ALA H 2.200 . 2.400 1.702 1.595 1.831 . 0 0 "[ . 1 . 2 .]" 3
22 1 10 ILE O 1 88 ALA N 3.200 2.400 3.400 2.574 2.440 2.744 . 0 0 "[ . 1 . 2 .]" 3
23 1 65 LYS O 1 69 THR HG1 2.400 . 2.600 2.482 2.151 2.621 0.021 14 0 "[ . 1 . 2 .]" 3
24 1 65 LYS O 1 69 THR OG1 3.400 2.600 3.600 3.300 3.034 3.486 . 0 0 "[ . 1 . 2 .]" 3
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