NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
587998 |
2my1   |
25439 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2my1
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 1367
_Distance_constraint_stats_list.Viol_count 7421
_Distance_constraint_stats_list.Viol_total 12147.612
_Distance_constraint_stats_list.Viol_max 0.323
_Distance_constraint_stats_list.Viol_rms 0.0237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 PRO 0.359 0.091 2 0 "[ . 1 . 2 . 3 .]"
1 5 ARG 0.682 0.109 16 0 "[ . 1 . 2 . 3 .]"
1 6 ILE 0.646 0.109 16 0 "[ . 1 . 2 . 3 .]"
1 7 LYS 0.323 0.108 28 0 "[ . 1 . 2 . 3 .]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 12 LYS 0.054 0.023 19 0 "[ . 1 . 2 . 3 .]"
1 13 PRO 3.504 0.116 14 0 "[ . 1 . 2 . 3 .]"
1 14 ALA 10.176 0.116 14 0 "[ . 1 . 2 . 3 .]"
1 15 PRO 4.153 0.161 33 0 "[ . 1 . 2 . 3 .]"
1 16 ASP 6.724 0.161 33 0 "[ . 1 . 2 . 3 .]"
1 17 GLY 2.844 0.135 13 0 "[ . 1 . 2 . 3 .]"
1 18 PHE 5.098 0.084 33 0 "[ . 1 . 2 . 3 .]"
1 19 GLU 8.129 0.080 33 0 "[ . 1 . 2 . 3 .]"
1 20 LYS 7.304 0.089 27 0 "[ . 1 . 2 . 3 .]"
1 21 ILE 11.352 0.140 34 0 "[ . 1 . 2 . 3 .]"
1 22 LYS 0.377 0.027 31 0 "[ . 1 . 2 . 3 .]"
1 23 PRO 0.001 0.001 32 0 "[ . 1 . 2 . 3 .]"
1 24 THR 6.491 0.093 34 0 "[ . 1 . 2 . 3 .]"
1 25 LEU 5.012 0.093 34 0 "[ . 1 . 2 . 3 .]"
1 26 THR 3.503 0.083 34 0 "[ . 1 . 2 . 3 .]"
1 27 ASP 7.227 0.084 34 0 "[ . 1 . 2 . 3 .]"
1 28 PHE 7.373 0.229 26 0 "[ . 1 . 2 . 3 .]"
1 29 GLU 5.925 0.092 35 0 "[ . 1 . 2 . 3 .]"
1 30 ILE 7.590 0.132 23 0 "[ . 1 . 2 . 3 .]"
1 31 GLN 3.049 0.123 27 0 "[ . 1 . 2 . 3 .]"
1 32 LEU 12.415 0.135 31 0 "[ . 1 . 2 . 3 .]"
1 33 ARG 4.695 0.132 23 0 "[ . 1 . 2 . 3 .]"
1 34 ASP 6.530 0.128 22 0 "[ . 1 . 2 . 3 .]"
1 35 ALA 9.482 0.220 17 0 "[ . 1 . 2 . 3 .]"
1 36 GLN 2.476 0.106 17 0 "[ . 1 . 2 . 3 .]"
1 37 LYS 5.592 0.128 22 0 "[ . 1 . 2 . 3 .]"
1 38 ASP 3.914 0.084 33 0 "[ . 1 . 2 . 3 .]"
1 39 LYS 0.931 0.066 32 0 "[ . 1 . 2 . 3 .]"
1 40 SER 0.527 0.062 27 0 "[ . 1 . 2 . 3 .]"
1 43 LEU 0.487 0.062 27 0 "[ . 1 . 2 . 3 .]"
1 44 ALA 0.767 0.151 5 0 "[ . 1 . 2 . 3 .]"
1 45 ALA 1.063 0.171 31 0 "[ . 1 . 2 . 3 .]"
1 46 LYS 0.869 0.171 31 0 "[ . 1 . 2 . 3 .]"
1 47 SER 4.331 0.109 35 0 "[ . 1 . 2 . 3 .]"
1 48 ASN 4.423 0.109 35 0 "[ . 1 . 2 . 3 .]"
1 49 GLU 1.752 0.059 18 0 "[ . 1 . 2 . 3 .]"
1 50 GLN 3.619 0.220 17 0 "[ . 1 . 2 . 3 .]"
1 51 LEU 2.924 0.125 29 0 "[ . 1 . 2 . 3 .]"
1 52 TRP 13.646 0.146 3 0 "[ . 1 . 2 . 3 .]"
1 53 GLU 2.153 0.085 8 0 "[ . 1 . 2 . 3 .]"
1 54 ILE 10.719 0.181 31 0 "[ . 1 . 2 . 3 .]"
1 55 MET 11.701 0.224 10 0 "[ . 1 . 2 . 3 .]"
1 56 GLN 2.998 0.085 8 0 "[ . 1 . 2 . 3 .]"
1 57 LEU 8.479 0.229 26 0 "[ . 1 . 2 . 3 .]"
1 58 HIS 4.989 0.102 30 0 "[ . 1 . 2 . 3 .]"
1 59 HIS 8.382 0.119 29 0 "[ . 1 . 2 . 3 .]"
1 60 GLN 0.846 0.040 4 0 "[ . 1 . 2 . 3 .]"
1 61 ARG 1.703 0.063 30 0 "[ . 1 . 2 . 3 .]"
1 62 SER 7.946 0.167 15 0 "[ . 1 . 2 . 3 .]"
1 63 ARG 1.014 0.064 13 0 "[ . 1 . 2 . 3 .]"
1 64 TYR 3.226 0.052 8 0 "[ . 1 . 2 . 3 .]"
1 65 ILE 4.693 0.081 29 0 "[ . 1 . 2 . 3 .]"
1 66 TYR 4.168 0.124 30 0 "[ . 1 . 2 . 3 .]"
1 67 THR 1.395 0.052 8 0 "[ . 1 . 2 . 3 .]"
1 68 LEU 8.429 0.120 32 0 "[ . 1 . 2 . 3 .]"
1 69 TYR 3.701 0.118 24 0 "[ . 1 . 2 . 3 .]"
1 70 TYR 6.290 0.171 8 0 "[ . 1 . 2 . 3 .]"
1 71 LYS 3.888 0.120 32 0 "[ . 1 . 2 . 3 .]"
1 72 ARG 2.242 0.085 27 0 "[ . 1 . 2 . 3 .]"
1 73 LYS 2.448 0.076 13 0 "[ . 1 . 2 . 3 .]"
1 74 ALA 2.828 0.094 21 0 "[ . 1 . 2 . 3 .]"
1 75 ILE 4.699 0.112 33 0 "[ . 1 . 2 . 3 .]"
1 76 SER 0.006 0.006 13 0 "[ . 1 . 2 . 3 .]"
1 77 LYS 3.330 0.118 24 0 "[ . 1 . 2 . 3 .]"
1 78 ASP 3.353 0.092 33 0 "[ . 1 . 2 . 3 .]"
1 79 LEU 5.330 0.140 34 0 "[ . 1 . 2 . 3 .]"
1 80 TYR 5.363 0.112 33 0 "[ . 1 . 2 . 3 .]"
1 81 ASP 2.627 0.092 33 0 "[ . 1 . 2 . 3 .]"
1 82 TRP 7.201 0.115 34 0 "[ . 1 . 2 . 3 .]"
1 83 LEU 3.657 0.104 31 0 "[ . 1 . 2 . 3 .]"
1 84 ILE 4.635 0.091 8 0 "[ . 1 . 2 . 3 .]"
1 85 LYS 3.015 0.073 30 0 "[ . 1 . 2 . 3 .]"
1 86 GLU 10.154 0.197 18 0 "[ . 1 . 2 . 3 .]"
1 87 LYS 18.683 0.233 22 0 "[ . 1 . 2 . 3 .]"
1 88 TYR 25.171 0.233 22 0 "[ . 1 . 2 . 3 .]"
1 89 ALA 4.105 0.107 35 0 "[ . 1 . 2 . 3 .]"
1 90 ASP 0.606 0.034 29 0 "[ . 1 . 2 . 3 .]"
1 91 LYS 0.620 0.049 21 0 "[ . 1 . 2 . 3 .]"
1 92 LEU 0.957 0.070 27 0 "[ . 1 . 2 . 3 .]"
1 93 LEU 5.020 0.115 5 0 "[ . 1 . 2 . 3 .]"
1 94 ILE 15.782 0.171 8 0 "[ . 1 . 2 . 3 .]"
1 95 ALA 0.652 0.051 30 0 "[ . 1 . 2 . 3 .]"
1 96 LYS 6.983 0.137 10 0 "[ . 1 . 2 . 3 .]"
1 97 TRP 6.975 0.097 23 0 "[ . 1 . 2 . 3 .]"
1 98 ARG 5.243 0.083 35 0 "[ . 1 . 2 . 3 .]"
1 99 LYS 7.262 0.137 20 0 "[ . 1 . 2 . 3 .]"
1 100 THR 1.365 0.098 20 0 "[ . 1 . 2 . 3 .]"
1 101 GLY 0.071 0.026 7 0 "[ . 1 . 2 . 3 .]"
1 102 TYR 8.908 0.137 20 0 "[ . 1 . 2 . 3 .]"
1 103 GLU 0.923 0.041 24 0 "[ . 1 . 2 . 3 .]"
1 104 LYS 2.420 0.064 1 0 "[ . 1 . 2 . 3 .]"
1 105 LEU 2.884 0.147 3 0 "[ . 1 . 2 . 3 .]"
1 106 CYS 7.825 0.211 24 0 "[ . 1 . 2 . 3 .]"
1 107 CYS 1.385 0.051 34 0 "[ . 1 . 2 . 3 .]"
1 108 LEU 7.680 0.137 10 0 "[ . 1 . 2 . 3 .]"
1 109 ARG 1.096 0.075 5 0 "[ . 1 . 2 . 3 .]"
1 110 CYS 5.404 0.145 23 0 "[ . 1 . 2 . 3 .]"
1 111 ILE 12.111 0.147 3 0 "[ . 1 . 2 . 3 .]"
1 112 GLN 0.306 0.054 10 0 "[ . 1 . 2 . 3 .]"
1 113 LYS 0.487 0.051 3 0 "[ . 1 . 2 . 3 .]"
1 114 ASN 0.596 0.230 35 0 "[ . 1 . 2 . 3 .]"
1 115 GLU 0.677 0.230 35 0 "[ . 1 . 2 . 3 .]"
1 116 THR 0.217 0.110 33 0 "[ . 1 . 2 . 3 .]"
1 117 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 118 ASN 0.047 0.010 25 0 "[ . 1 . 2 . 3 .]"
1 119 GLY 0.047 0.010 25 0 "[ . 1 . 2 . 3 .]"
1 120 SER 0.152 0.110 20 0 "[ . 1 . 2 . 3 .]"
1 121 THR 3.190 0.138 34 0 "[ . 1 . 2 . 3 .]"
1 122 CYS 7.309 0.157 17 0 "[ . 1 . 2 . 3 .]"
1 123 ILE 12.071 0.200 35 0 "[ . 1 . 2 . 3 .]"
1 124 CYS 10.732 0.222 35 0 "[ . 1 . 2 . 3 .]"
1 125 ARG 2.149 0.076 34 0 "[ . 1 . 2 . 3 .]"
1 126 VAL 2.795 0.200 35 0 "[ . 1 . 2 . 3 .]"
1 127 PRO 4.008 0.096 21 0 "[ . 1 . 2 . 3 .]"
1 128 ARG 0.153 0.024 14 0 "[ . 1 . 2 . 3 .]"
1 129 ALA 2.256 0.053 22 0 "[ . 1 . 2 . 3 .]"
1 130 GLN 2.315 0.052 23 0 "[ . 1 . 2 . 3 .]"
1 131 LEU 0.475 0.047 35 0 "[ . 1 . 2 . 3 .]"
1 132 GLU 1.675 0.053 22 0 "[ . 1 . 2 . 3 .]"
1 133 GLU 4.505 0.083 14 0 "[ . 1 . 2 . 3 .]"
1 134 GLU 4.708 0.156 16 0 "[ . 1 . 2 . 3 .]"
1 135 ALA 2.762 0.060 5 0 "[ . 1 . 2 . 3 .]"
1 136 ARG 0.356 0.035 28 0 "[ . 1 . 2 . 3 .]"
1 137 LYS 0.379 0.039 10 0 "[ . 1 . 2 . 3 .]"
1 138 LYS 1.350 0.082 10 0 "[ . 1 . 2 . 3 .]"
1 139 GLY 0.917 0.071 22 0 "[ . 1 . 2 . 3 .]"
1 140 THR 1.058 0.082 10 0 "[ . 1 . 2 . 3 .]"
1 141 GLN 0.778 0.240 22 0 "[ . 1 . 2 . 3 .]"
1 142 VAL 6.269 0.167 23 0 "[ . 1 . 2 . 3 .]"
1 143 SER 5.057 0.167 23 0 "[ . 1 . 2 . 3 .]"
1 144 PHE 23.593 0.222 35 0 "[ . 1 . 2 . 3 .]"
1 145 HIS 3.552 0.110 19 0 "[ . 1 . 2 . 3 .]"
1 146 GLN 11.639 0.221 27 0 "[ . 1 . 2 . 3 .]"
1 147 CYS 8.744 0.139 21 0 "[ . 1 . 2 . 3 .]"
1 148 VAL 7.164 0.146 3 0 "[ . 1 . 2 . 3 .]"
1 149 HIS 5.190 0.157 17 0 "[ . 1 . 2 . 3 .]"
1 150 CYS 10.631 0.323 8 0 "[ . 1 . 2 . 3 .]"
1 151 GLY 1.391 0.082 3 0 "[ . 1 . 2 . 3 .]"
1 152 CYS 4.418 0.089 14 0 "[ . 1 . 2 . 3 .]"
1 153 ARG 0.284 0.041 28 0 "[ . 1 . 2 . 3 .]"
1 154 GLY 4.752 0.221 27 0 "[ . 1 . 2 . 3 .]"
1 155 CYS 1.929 0.052 25 0 "[ . 1 . 2 . 3 .]"
1 156 ALA 2.978 0.096 21 0 "[ . 1 . 2 . 3 .]"
1 157 SER 2.435 0.070 14 0 "[ . 1 . 2 . 3 .]"
1 158 THR 2.372 0.113 2 0 "[ . 1 . 2 . 3 .]"
1 159 ASP 2.568 0.113 2 0 "[ . 1 . 2 . 3 .]"
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 4 PRO HA 1 5 ARG H 3.500 . 3.500 2.537 2.258 3.591 0.091 2 0 "[ . 1 . 2 . 3 .]" 1
2 1 5 ARG HA 1 6 ILE H 3.500 . 3.500 2.563 2.253 3.609 0.109 16 0 "[ . 1 . 2 . 3 .]" 1
3 1 6 ILE HA 1 7 LYS H 3.500 . 3.500 2.519 2.248 3.608 0.108 28 0 "[ . 1 . 2 . 3 .]" 1
4 1 9 ARG HA 1 9 ARG QD 5.000 . 5.000 3.519 2.172 4.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
5 1 10 ARG HA 1 10 ARG QD 5.000 . 5.000 3.614 2.006 4.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 12 LYS HA 1 13 PRO QG 5.000 . 5.000 4.047 3.910 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 12 LYS HA 1 13 PRO QD 2.300 . 2.300 2.144 2.004 2.323 0.023 19 0 "[ . 1 . 2 . 3 .]" 1
8 1 13 PRO HA 1 14 ALA H 2.300 . 2.300 2.390 2.375 2.416 0.116 14 0 "[ . 1 . 2 . 3 .]" 1
9 1 13 PRO QB 1 14 ALA H 2.800 . 2.800 2.797 2.716 2.827 0.027 4 0 "[ . 1 . 2 . 3 .]" 1
10 1 13 PRO QG 1 14 ALA H 5.000 . 5.000 4.358 4.296 4.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 14 ALA H 1 14 ALA MB 2.800 . 2.800 2.322 2.035 2.841 0.041 12 0 "[ . 1 . 2 . 3 .]" 1
12 1 14 ALA HA 1 15 PRO QD 2.300 . 2.300 2.078 1.941 2.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 14 ALA MB 1 15 PRO QD 2.800 . 2.800 2.510 2.352 2.848 0.048 34 0 "[ . 1 . 2 . 3 .]" 1
14 1 14 ALA MB 1 18 PHE H 5.000 . 5.000 3.705 2.425 3.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 14 ALA MB 1 18 PHE HA 5.000 . 5.000 4.238 3.768 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
16 1 14 ALA MB 1 18 PHE QB 2.800 . 2.800 2.064 1.750 2.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
17 1 14 ALA MB 1 18 PHE QD 2.800 . 2.800 2.745 2.611 2.871 0.071 33 0 "[ . 1 . 2 . 3 .]" 1
18 1 14 ALA HA 1 79 LEU QD 3.500 . 3.500 3.539 3.509 3.587 0.087 24 0 "[ . 1 . 2 . 3 .]" 1
19 1 14 ALA MB 1 79 LEU HA 5.000 . 5.000 4.366 4.200 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 14 ALA MB 1 79 LEU QD 3.500 . 3.500 2.585 2.237 2.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 14 ALA MB 1 82 TRP HE1 5.000 . 5.000 3.968 3.921 4.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 14 ALA MB 1 82 TRP HE3 2.800 . 2.800 2.851 2.820 2.915 0.115 34 0 "[ . 1 . 2 . 3 .]" 1
23 1 14 ALA MB 1 82 TRP HZ2 2.800 . 2.800 2.847 2.819 2.904 0.104 33 0 "[ . 1 . 2 . 3 .]" 1
24 1 14 ALA MB 1 82 TRP HZ3 2.800 . 2.800 2.838 2.794 2.896 0.096 13 0 "[ . 1 . 2 . 3 .]" 1
25 1 14 ALA MB 1 82 TRP HH2 2.800 . 2.800 2.727 2.641 2.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 15 PRO HA 1 16 ASP H 2.300 . 2.300 2.416 2.392 2.461 0.161 33 0 "[ . 1 . 2 . 3 .]" 1
27 1 15 PRO HA 1 16 ASP QB 5.000 . 5.000 4.373 3.763 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
28 1 15 PRO QB 1 16 ASP H 5.000 . 5.000 2.817 2.624 3.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
29 1 15 PRO QG 1 16 ASP H 5.000 . 5.000 4.337 4.225 4.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 15 PRO QB 1 79 LEU QD 5.000 . 5.000 3.627 3.491 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
31 1 15 PRO QG 1 79 LEU QD 3.500 . 3.500 2.079 1.919 3.521 0.021 33 0 "[ . 1 . 2 . 3 .]" 1
32 1 15 PRO QD 1 79 LEU QD 2.800 . 2.800 1.901 1.814 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 16 ASP H 1 16 ASP QB 3.500 . 3.500 2.310 2.125 3.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 16 ASP H 1 17 GLY H 3.500 . 3.500 3.017 2.947 3.635 0.135 13 0 "[ . 1 . 2 . 3 .]" 1
35 1 16 ASP HA 1 17 GLY H 3.500 . 3.500 3.468 2.350 3.574 0.074 7 0 "[ . 1 . 2 . 3 .]" 1
36 1 16 ASP QB 1 17 GLY H 5.000 . 5.000 2.951 2.715 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 16 ASP H 1 18 PHE H 5.000 . 5.000 4.575 4.537 4.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 17 GLY H 1 18 PHE H 3.500 . 3.500 2.830 2.325 2.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 17 GLY QA 1 19 GLU H 5.000 . 5.000 3.789 3.732 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 17 GLY QA 1 20 LYS H 3.500 . 3.500 3.478 3.423 3.554 0.054 13 0 "[ . 1 . 2 . 3 .]" 1
41 1 17 GLY QA 1 79 LEU QD 2.800 . 2.800 2.441 1.951 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 18 PHE H 1 18 PHE HB3 2.800 . 2.800 2.611 2.485 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
43 1 18 PHE H 1 18 PHE HB2 2.800 . 2.800 2.420 2.352 2.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 18 PHE H 1 18 PHE QD 5.000 . 5.000 4.145 4.104 4.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 18 PHE HA 1 18 PHE HB2 2.800 . 2.800 2.506 2.446 2.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 18 PHE H 1 19 GLU H 2.800 . 2.800 2.842 2.805 2.870 0.070 27 0 "[ . 1 . 2 . 3 .]" 1
47 1 18 PHE HA 1 19 GLU H 3.500 . 3.500 3.568 3.559 3.573 0.073 24 0 "[ . 1 . 2 . 3 .]" 1
48 1 18 PHE QB 1 19 GLU HA 5.000 . 5.000 4.166 4.118 4.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 18 PHE QD 1 19 GLU HA 5.000 . 5.000 4.385 4.308 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 18 PHE H 1 20 LYS H 5.000 . 5.000 4.514 4.456 4.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 18 PHE HA 1 20 LYS H 5.000 . 5.000 4.121 3.951 4.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 18 PHE HA 1 21 ILE QG 5.000 . 5.000 2.494 2.340 2.644 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 18 PHE HA 1 21 ILE MG 5.000 . 5.000 4.349 4.200 4.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
54 1 18 PHE HA 1 21 ILE MD 5.000 . 5.000 3.403 3.254 3.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
55 1 18 PHE QB 1 21 ILE MD 5.000 . 5.000 4.527 4.400 4.629 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 18 PHE QD 1 21 ILE HB 5.000 . 5.000 4.979 4.712 5.020 0.020 32 0 "[ . 1 . 2 . 3 .]" 1
57 1 18 PHE QD 1 21 ILE MG 5.000 . 5.000 4.797 4.508 4.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
58 1 18 PHE QD 1 21 ILE MD 5.000 . 5.000 2.482 2.327 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 18 PHE QE 1 21 ILE MD 5.000 . 5.000 2.281 2.066 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 18 PHE HZ 1 21 ILE MD 5.000 . 5.000 4.431 4.162 4.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 18 PHE QD 1 25 LEU QD 3.500 . 3.500 3.504 3.429 3.543 0.043 13 0 "[ . 1 . 2 . 3 .]" 1
62 1 18 PHE QE 1 25 LEU QD 2.800 . 2.800 1.899 1.818 1.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 18 PHE HZ 1 25 LEU QD 2.800 . 2.800 2.747 2.423 2.838 0.038 34 0 "[ . 1 . 2 . 3 .]" 1
64 1 18 PHE H 1 79 LEU QD 3.500 . 3.500 2.230 2.002 2.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 18 PHE QB 1 79 LEU QD 2.800 . 2.800 1.894 1.813 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 18 PHE QD 1 79 LEU QD 2.800 . 2.800 2.313 2.055 2.884 0.084 33 0 "[ . 1 . 2 . 3 .]" 1
67 1 18 PHE QD 1 83 LEU QD 3.500 . 3.500 2.303 2.066 2.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 19 GLU H 1 19 GLU HB3 2.800 . 2.800 2.743 2.611 2.810 0.010 18 0 "[ . 1 . 2 . 3 .]" 1
69 1 19 GLU H 1 19 GLU HB2 2.800 . 2.800 2.306 2.246 2.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 19 GLU H 1 19 GLU QG 5.000 . 5.000 3.957 3.877 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 19 GLU HA 1 19 GLU HB2 2.800 . 2.800 2.569 2.506 2.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 19 GLU H 1 20 LYS H 2.800 . 2.800 2.845 2.832 2.857 0.057 24 0 "[ . 1 . 2 . 3 .]" 1
73 1 19 GLU HA 1 20 LYS H 3.500 . 3.500 3.576 3.571 3.580 0.080 33 0 "[ . 1 . 2 . 3 .]" 1
74 1 19 GLU QB 1 20 LYS H 5.000 . 5.000 2.596 2.559 2.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 19 GLU HA 1 21 ILE H 5.000 . 5.000 4.233 4.154 4.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 19 GLU HA 1 22 LYS H 3.500 . 3.500 3.459 3.373 3.507 0.007 23 0 "[ . 1 . 2 . 3 .]" 1
77 1 20 LYS H 1 20 LYS HB2 2.800 . 2.800 2.335 2.173 2.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 20 LYS H 1 20 LYS QG 5.000 . 5.000 2.434 2.137 3.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 20 LYS HA 1 20 LYS HB3 2.800 . 2.800 2.583 2.511 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 20 LYS H 1 21 ILE H 2.800 . 2.800 2.797 2.766 2.816 0.016 31 0 "[ . 1 . 2 . 3 .]" 1
81 1 20 LYS HA 1 21 ILE H 3.500 . 3.500 3.580 3.575 3.589 0.089 27 0 "[ . 1 . 2 . 3 .]" 1
82 1 20 LYS QB 1 21 ILE H 5.000 . 5.000 2.677 2.572 2.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
83 1 20 LYS H 1 22 LYS H 5.000 . 5.000 4.347 4.282 4.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 20 LYS HA 1 22 LYS H 5.000 . 5.000 4.212 4.159 4.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 20 LYS QB 1 22 LYS H 5.000 . 5.000 4.721 4.662 4.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 20 LYS H 1 79 LEU QD 5.000 . 5.000 4.376 4.049 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 21 ILE H 1 22 LYS H 2.800 . 2.800 2.782 2.705 2.810 0.010 34 0 "[ . 1 . 2 . 3 .]" 1
88 1 21 ILE HA 1 22 LYS H 3.500 . 3.500 2.973 2.941 3.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 21 ILE HB 1 24 THR MG 5.000 . 5.000 4.644 4.456 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 21 ILE MD 1 25 LEU HG 5.000 . 5.000 3.651 3.292 4.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 21 ILE MD 1 25 LEU QD 5.000 . 5.000 1.807 1.756 2.119 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 21 ILE HB 1 64 TYR QD 5.000 . 5.000 4.132 4.055 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
93 1 21 ILE HB 1 64 TYR QE 2.800 . 2.800 1.976 1.943 1.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
94 1 21 ILE MG 1 64 TYR QD 5.000 . 5.000 3.970 3.876 4.160 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 21 ILE MG 1 64 TYR QE 2.800 . 2.800 1.968 1.933 2.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 21 ILE MD 1 64 TYR QD 3.500 . 3.500 3.491 3.354 3.534 0.034 10 0 "[ . 1 . 2 . 3 .]" 1
97 1 21 ILE MD 1 64 TYR QE 2.300 . 2.300 2.292 2.041 2.328 0.028 26 0 "[ . 1 . 2 . 3 .]" 1
98 1 21 ILE MD 1 65 ILE MG 5.000 . 5.000 4.026 3.649 4.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 21 ILE HB 1 68 LEU QD 3.500 . 3.500 3.521 3.445 3.564 0.064 5 0 "[ . 1 . 2 . 3 .]" 1
100 1 21 ILE QG 1 68 LEU QD 3.500 . 3.500 3.544 3.519 3.583 0.083 23 0 "[ . 1 . 2 . 3 .]" 1
101 1 21 ILE MG 1 68 LEU QD 2.300 . 2.300 2.041 1.890 2.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
102 1 21 ILE MD 1 68 LEU QD 2.800 . 2.800 2.820 2.761 2.849 0.049 34 0 "[ . 1 . 2 . 3 .]" 1
103 1 21 ILE H 1 79 LEU QD 5.000 . 5.000 4.023 3.799 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 21 ILE QG 1 79 LEU QD 3.500 . 3.500 2.674 2.477 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 21 ILE MG 1 79 LEU QD 3.500 . 3.500 3.556 3.519 3.640 0.140 34 0 "[ . 1 . 2 . 3 .]" 1
106 1 21 ILE MD 1 79 LEU QD 2.800 . 2.800 2.814 2.745 2.847 0.047 31 0 "[ . 1 . 2 . 3 .]" 1
107 1 21 ILE MD 1 83 LEU MD1 2.800 . 2.800 1.976 1.847 2.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
108 1 21 ILE MD 1 88 TYR QD 5.000 . 5.000 3.593 3.318 3.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 21 ILE MD 1 88 TYR QE 3.500 . 3.500 3.544 3.521 3.570 0.070 18 0 "[ . 1 . 2 . 3 .]" 1
110 1 22 LYS H 1 22 LYS HB3 2.800 . 2.800 2.595 2.443 2.806 0.006 10 0 "[ . 1 . 2 . 3 .]" 1
111 1 22 LYS H 1 22 LYS HB2 2.800 . 2.800 2.487 2.297 2.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 22 LYS HA 1 22 LYS HB2 2.800 . 2.800 2.535 2.464 2.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 22 LYS H 1 24 THR H 5.000 . 5.000 4.109 4.034 4.174 . 0 0 "[ . 1 . 2 . 3 .]" 1
114 1 22 LYS HA 1 25 LEU H 5.000 . 5.000 4.113 4.054 4.192 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 22 LYS HA 1 25 LEU QB 3.500 . 3.500 3.424 3.277 3.521 0.021 10 0 "[ . 1 . 2 . 3 .]" 1
116 1 22 LYS HA 1 25 LEU QD 3.500 . 3.500 3.146 2.846 3.516 0.016 34 0 "[ . 1 . 2 . 3 .]" 1
117 1 22 LYS QE 1 26 THR MG 3.500 . 3.500 3.448 3.018 3.527 0.027 31 0 "[ . 1 . 2 . 3 .]" 1
118 1 23 PRO HA 1 24 THR H 5.000 . 5.000 3.599 3.592 3.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 23 PRO HA 1 25 LEU H 5.000 . 5.000 4.508 4.371 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 23 PRO HA 1 26 THR H 3.500 . 3.500 3.388 3.310 3.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 23 PRO HA 1 26 THR HB 3.500 . 3.500 3.062 2.694 3.501 0.001 32 0 "[ . 1 . 2 . 3 .]" 1
122 1 23 PRO HA 1 26 THR MG 5.000 . 5.000 3.989 3.875 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 24 THR H 1 25 LEU H 2.800 . 2.800 2.807 2.786 2.824 0.024 22 0 "[ . 1 . 2 . 3 .]" 1
124 1 24 THR HA 1 25 LEU H 3.500 . 3.500 3.586 3.579 3.593 0.093 34 0 "[ . 1 . 2 . 3 .]" 1
125 1 24 THR HB 1 25 LEU H 5.000 . 5.000 2.508 2.408 2.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 24 THR MG 1 25 LEU H 3.500 . 3.500 3.493 3.422 3.522 0.022 25 0 "[ . 1 . 2 . 3 .]" 1
127 1 24 THR MG 1 25 LEU QD 5.000 . 5.000 3.967 3.345 4.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 24 THR H 1 26 THR H 5.000 . 5.000 4.202 4.086 4.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 24 THR HA 1 26 THR H 5.000 . 5.000 4.462 4.309 4.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 24 THR HA 1 27 ASP H 3.500 . 3.500 3.556 3.539 3.584 0.084 34 0 "[ . 1 . 2 . 3 .]" 1
131 1 24 THR HA 1 27 ASP QB 3.500 . 3.500 3.066 2.874 3.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 24 THR MG 1 27 ASP QB 3.500 . 3.500 3.515 3.447 3.540 0.040 4 0 "[ . 1 . 2 . 3 .]" 1
133 1 24 THR MG 1 28 PHE QD 5.000 . 5.000 3.724 3.490 3.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
134 1 24 THR MG 1 28 PHE QE 5.000 . 5.000 3.048 2.746 3.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 24 THR MG 1 28 PHE HZ 5.000 . 5.000 4.921 4.611 5.027 0.027 22 0 "[ . 1 . 2 . 3 .]" 1
136 1 24 THR MG 1 64 TYR QD 2.800 . 2.800 2.788 2.609 2.822 0.022 33 0 "[ . 1 . 2 . 3 .]" 1
137 1 24 THR MG 1 64 TYR QE 2.300 . 2.300 2.046 1.942 2.307 0.007 16 0 "[ . 1 . 2 . 3 .]" 1
138 1 25 LEU H 1 25 LEU HB2 2.800 . 2.800 2.255 2.161 2.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 25 LEU H 1 25 LEU QD 5.000 . 5.000 3.022 2.546 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 25 LEU HA 1 25 LEU HB3 2.800 . 2.800 2.620 2.520 2.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 25 LEU H 1 26 THR H 2.800 . 2.800 2.716 2.665 2.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 25 LEU QD 1 26 THR H 5.000 . 5.000 4.077 3.955 4.198 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 25 LEU H 1 27 ASP H 5.000 . 5.000 4.233 4.085 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 25 LEU HA 1 28 PHE H 3.500 . 3.500 3.509 3.402 3.565 0.065 25 0 "[ . 1 . 2 . 3 .]" 1
145 1 25 LEU QD 1 28 PHE QD 5.000 . 5.000 3.801 3.329 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 25 LEU QD 1 64 TYR QD 5.000 . 5.000 3.746 3.132 4.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 25 LEU QD 1 64 TYR QE 3.500 . 3.500 3.466 3.348 3.530 0.030 33 0 "[ . 1 . 2 . 3 .]" 1
148 1 25 LEU QD 1 65 ILE MD 3.500 . 3.500 2.947 2.643 3.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 25 LEU QD 1 83 LEU QD 2.800 . 2.800 2.256 1.863 2.725 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 25 LEU QD 1 88 TYR QB 3.500 . 3.500 3.037 2.840 3.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 25 LEU QD 1 88 TYR QD 2.800 . 2.800 1.771 1.693 2.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 25 LEU QD 1 88 TYR QE 2.800 . 2.800 1.853 1.761 1.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 26 THR H 1 27 ASP H 2.800 . 2.800 2.796 2.742 2.822 0.022 34 0 "[ . 1 . 2 . 3 .]" 1
154 1 26 THR HA 1 27 ASP H 3.500 . 3.500 3.579 3.576 3.583 0.083 34 0 "[ . 1 . 2 . 3 .]" 1
155 1 26 THR HB 1 27 ASP H 5.000 . 5.000 2.737 2.659 2.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 26 THR MG 1 27 ASP H 5.000 . 5.000 3.932 3.636 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 26 THR H 1 28 PHE H 5.000 . 5.000 4.406 4.349 4.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 26 THR HA 1 28 PHE H 5.000 . 5.000 4.188 4.088 4.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 26 THR HA 1 29 GLU H 3.500 . 3.500 3.473 3.374 3.527 0.027 32 0 "[ . 1 . 2 . 3 .]" 1
160 1 26 THR HA 1 29 GLU QB 3.500 . 3.500 3.413 3.122 3.519 0.019 31 0 "[ . 1 . 2 . 3 .]" 1
161 1 26 THR HA 1 29 GLU QG 3.500 . 3.500 2.831 2.497 3.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 26 THR MG 1 29 GLU QB 3.500 . 3.500 3.257 3.076 3.503 0.003 30 0 "[ . 1 . 2 . 3 .]" 1
163 1 26 THR MG 1 29 GLU QG 3.500 . 3.500 3.459 3.251 3.513 0.013 25 0 "[ . 1 . 2 . 3 .]" 1
164 1 26 THR HA 1 30 ILE MD 5.000 . 5.000 4.303 3.894 5.023 0.023 30 0 "[ . 1 . 2 . 3 .]" 1
165 1 26 THR HB 1 30 ILE MD 5.000 . 5.000 4.128 3.752 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 26 THR MG 1 30 ILE QG 5.000 . 5.000 4.563 4.156 5.023 0.023 31 0 "[ . 1 . 2 . 3 .]" 1
167 1 26 THR MG 1 30 ILE MD 5.000 . 5.000 3.011 2.511 3.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 27 ASP H 1 28 PHE H 2.800 . 2.800 2.820 2.787 2.833 0.033 10 0 "[ . 1 . 2 . 3 .]" 1
169 1 27 ASP HA 1 28 PHE H 5.000 . 5.000 3.589 3.581 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 27 ASP QB 1 28 PHE H 3.500 . 3.500 2.666 2.584 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 27 ASP H 1 29 GLU H 5.000 . 5.000 4.439 4.378 4.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 27 ASP HA 1 30 ILE H 3.500 . 3.500 3.500 3.365 3.544 0.044 4 0 "[ . 1 . 2 . 3 .]" 1
173 1 27 ASP HA 1 30 ILE MD 3.500 . 3.500 2.239 1.893 3.528 0.028 24 0 "[ . 1 . 2 . 3 .]" 1
174 1 27 ASP QB 1 30 ILE MD 5.000 . 5.000 4.083 3.668 5.072 0.072 33 0 "[ . 1 . 2 . 3 .]" 1
175 1 28 PHE H 1 28 PHE HB2 2.800 . 2.800 2.188 2.167 2.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 28 PHE H 1 28 PHE QD 5.000 . 5.000 2.245 2.143 2.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 28 PHE H 1 28 PHE QE 5.000 . 5.000 4.500 4.417 4.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
178 1 28 PHE HA 1 28 PHE HB3 2.800 . 2.800 2.674 2.645 2.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 28 PHE H 1 29 GLU H 2.800 . 2.800 2.821 2.786 2.843 0.043 25 0 "[ . 1 . 2 . 3 .]" 1
180 1 28 PHE HA 1 29 GLU H 5.000 . 5.000 3.591 3.585 3.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 28 PHE QB 1 29 GLU H 5.000 . 5.000 2.661 2.574 2.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 28 PHE HA 1 31 GLN H 3.500 . 3.500 3.428 3.242 3.538 0.038 30 0 "[ . 1 . 2 . 3 .]" 1
183 1 28 PHE HA 1 31 GLN QB 3.500 . 3.500 3.046 2.696 3.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 28 PHE QD 1 32 LEU QD 3.500 . 3.500 3.521 3.370 3.577 0.077 22 0 "[ . 1 . 2 . 3 .]" 1
185 1 28 PHE QD 1 57 LEU HA 5.000 . 5.000 4.005 3.417 4.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 28 PHE QD 1 57 LEU QD 2.300 . 2.300 2.167 2.004 2.398 0.098 35 0 "[ . 1 . 2 . 3 .]" 1
187 1 28 PHE QE 1 57 LEU HA 3.500 . 3.500 2.713 2.167 3.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 28 PHE QE 1 57 LEU QD 2.300 . 2.300 2.002 1.901 2.339 0.039 30 0 "[ . 1 . 2 . 3 .]" 1
189 1 28 PHE HZ 1 57 LEU HA 5.000 . 5.000 4.727 4.382 4.986 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 28 PHE HZ 1 57 LEU QD 3.500 . 3.500 3.571 3.505 3.729 0.229 26 0 "[ . 1 . 2 . 3 .]" 1
191 1 28 PHE QE 1 60 GLN QB 2.800 . 2.800 2.085 1.960 2.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 28 PHE HZ 1 60 GLN QB 2.800 . 2.800 1.975 1.952 2.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 28 PHE HZ 1 60 GLN QG 2.800 . 2.800 2.031 1.945 2.237 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 28 PHE QD 1 61 ARG HA 5.000 . 5.000 4.845 4.446 5.056 0.056 18 0 "[ . 1 . 2 . 3 .]" 1
195 1 28 PHE QD 1 61 ARG QD 2.800 . 2.800 2.536 1.987 2.857 0.057 26 0 "[ . 1 . 2 . 3 .]" 1
196 1 28 PHE QE 1 61 ARG QD 2.800 . 2.800 2.756 2.373 2.862 0.062 35 0 "[ . 1 . 2 . 3 .]" 1
197 1 28 PHE HZ 1 61 ARG HA 3.500 . 3.500 3.390 2.868 3.519 0.019 28 0 "[ . 1 . 2 . 3 .]" 1
198 1 29 GLU H 1 30 ILE H 2.800 . 2.800 2.818 2.793 2.841 0.041 31 0 "[ . 1 . 2 . 3 .]" 1
199 1 29 GLU HA 1 30 ILE H 3.500 . 3.500 3.564 3.538 3.584 0.084 26 0 "[ . 1 . 2 . 3 .]" 1
200 1 29 GLU QB 1 30 ILE H 3.500 . 3.500 2.774 2.564 2.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 29 GLU HA 1 32 LEU H 3.500 . 3.500 3.559 3.526 3.592 0.092 35 0 "[ . 1 . 2 . 3 .]" 1
202 1 29 GLU HA 1 32 LEU QB 3.500 . 3.500 2.753 2.532 2.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 29 GLU HA 1 32 LEU QD 5.000 . 5.000 3.683 3.473 3.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 29 GLU QB 1 32 LEU QB 5.000 . 5.000 4.443 4.196 4.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 29 GLU HA 1 33 ARG QD 5.000 . 5.000 4.094 3.603 4.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 30 ILE H 1 30 ILE MD 5.000 . 5.000 2.151 2.028 2.744 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 30 ILE H 1 31 GLN H 2.800 . 2.800 2.636 2.485 2.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 30 ILE HA 1 31 GLN H 5.000 . 5.000 3.596 3.579 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 30 ILE MD 1 31 GLN H 5.000 . 5.000 3.965 3.790 4.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 30 ILE H 1 32 LEU H 5.000 . 5.000 4.138 3.881 4.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
211 1 30 ILE HA 1 33 ARG H 3.500 . 3.500 3.538 3.391 3.632 0.132 23 0 "[ . 1 . 2 . 3 .]" 1
212 1 30 ILE HA 1 33 ARG QB 5.000 . 5.000 2.774 2.147 3.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 30 ILE HA 1 33 ARG QD 3.500 . 3.500 2.000 1.909 2.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 30 ILE MG 1 33 ARG QD 3.500 . 3.500 3.375 2.961 3.552 0.052 10 0 "[ . 1 . 2 . 3 .]" 1
215 1 30 ILE MD 1 33 ARG QD 3.500 . 3.500 3.375 2.253 3.547 0.047 25 0 "[ . 1 . 2 . 3 .]" 1
216 1 30 ILE MG 1 34 ASP QB 5.000 . 5.000 4.705 4.278 5.008 0.008 31 0 "[ . 1 . 2 . 3 .]" 1
217 1 31 GLN H 1 31 GLN QG 5.000 . 5.000 4.014 3.705 4.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 31 GLN H 1 32 LEU H 2.800 . 2.800 2.611 2.430 2.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
219 1 31 GLN HA 1 32 LEU H 5.000 . 5.000 3.602 3.581 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 31 GLN QG 1 32 LEU H 5.000 . 5.000 3.841 3.541 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 31 GLN HA 1 33 ARG H 5.000 . 5.000 4.342 4.195 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
222 1 31 GLN HA 1 34 ASP H 3.500 . 3.500 3.579 3.537 3.623 0.123 27 0 "[ . 1 . 2 . 3 .]" 1
223 1 31 GLN HA 1 34 ASP QB 5.000 . 5.000 3.113 2.776 3.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
224 1 31 GLN H 1 57 LEU QD 5.000 . 5.000 3.946 3.673 4.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 31 GLN HA 1 57 LEU QD 5.000 . 5.000 4.090 3.777 4.404 . 0 0 "[ . 1 . 2 . 3 .]" 1
226 1 31 GLN QB 1 57 LEU QD 2.300 . 2.300 2.060 1.802 2.338 0.038 30 0 "[ . 1 . 2 . 3 .]" 1
227 1 31 GLN QG 1 57 LEU QD 2.300 . 2.300 2.128 1.887 2.327 0.027 7 0 "[ . 1 . 2 . 3 .]" 1
228 1 32 LEU H 1 32 LEU QD 5.000 . 5.000 3.396 2.969 3.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 32 LEU H 1 33 ARG H 2.800 . 2.800 2.683 2.542 2.809 0.009 31 0 "[ . 1 . 2 . 3 .]" 1
230 1 32 LEU HA 1 33 ARG H 5.000 . 5.000 3.593 3.582 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
231 1 32 LEU QB 1 33 ARG H 3.500 . 3.500 2.784 2.693 2.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 32 LEU QD 1 33 ARG H 5.000 . 5.000 4.091 3.914 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
233 1 32 LEU H 1 34 ASP H 5.000 . 5.000 4.325 4.143 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
234 1 32 LEU HA 1 35 ALA H 3.500 . 3.500 3.479 3.253 3.565 0.065 18 0 "[ . 1 . 2 . 3 .]" 1
235 1 32 LEU HA 1 35 ALA MB 3.500 . 3.500 2.847 2.661 3.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 32 LEU QD 1 35 ALA MB 3.500 . 3.500 3.503 3.223 3.610 0.110 32 0 "[ . 1 . 2 . 3 .]" 1
237 1 32 LEU QD 1 36 GLN H 5.000 . 5.000 4.045 3.568 4.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 32 LEU HA 1 54 ILE MD 3.500 . 3.500 3.568 3.517 3.616 0.116 30 0 "[ . 1 . 2 . 3 .]" 1
239 1 32 LEU HG 1 54 ILE MD 3.500 . 3.500 3.031 2.319 3.515 0.015 33 0 "[ . 1 . 2 . 3 .]" 1
240 1 32 LEU QD 1 54 ILE HA 2.800 . 2.800 2.418 1.807 2.837 0.037 28 0 "[ . 1 . 2 . 3 .]" 1
241 1 32 LEU QD 1 54 ILE MG 2.800 . 2.800 1.687 1.611 1.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
242 1 32 LEU QD 1 54 ILE MD 2.800 . 2.800 2.664 2.389 2.900 0.100 32 0 "[ . 1 . 2 . 3 .]" 1
243 1 32 LEU H 1 57 LEU QD 2.800 . 2.800 2.862 2.809 2.935 0.135 31 0 "[ . 1 . 2 . 3 .]" 1
244 1 32 LEU HA 1 57 LEU QD 2.800 . 2.800 2.840 2.806 2.915 0.115 30 0 "[ . 1 . 2 . 3 .]" 1
245 1 32 LEU QD 1 57 LEU HA 5.000 . 5.000 4.880 4.389 5.043 0.043 14 0 "[ . 1 . 2 . 3 .]" 1
246 1 32 LEU QD 1 57 LEU QD 2.300 . 2.300 2.013 1.711 2.341 0.041 30 0 "[ . 1 . 2 . 3 .]" 1
247 1 33 ARG H 1 34 ASP H 2.800 . 2.800 2.759 2.608 2.837 0.037 6 0 "[ . 1 . 2 . 3 .]" 1
248 1 33 ARG HA 1 34 ASP H 5.000 . 5.000 3.598 3.586 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 33 ARG QB 1 34 ASP H 3.500 . 3.500 2.946 2.573 3.528 0.028 3 0 "[ . 1 . 2 . 3 .]" 1
250 1 33 ARG H 1 35 ALA H 5.000 . 5.000 4.424 4.182 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 33 ARG HA 1 36 GLN H 3.500 . 3.500 3.476 3.293 3.538 0.038 1 0 "[ . 1 . 2 . 3 .]" 1
252 1 33 ARG HA 1 36 GLN QG 5.000 . 5.000 3.585 2.926 4.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 33 ARG HA 1 37 LYS H 5.000 . 5.000 3.875 3.550 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 34 ASP H 1 34 ASP HB2 2.800 . 2.800 2.236 2.169 2.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 34 ASP HA 1 34 ASP HB3 2.800 . 2.800 2.637 2.516 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 34 ASP H 1 35 ALA H 2.800 . 2.800 2.777 2.668 2.851 0.051 31 0 "[ . 1 . 2 . 3 .]" 1
257 1 34 ASP HA 1 35 ALA H 5.000 . 5.000 3.605 3.593 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 34 ASP QB 1 35 ALA H 3.500 . 3.500 2.529 2.352 2.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 34 ASP H 1 36 GLN H 5.000 . 5.000 4.096 3.971 4.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
260 1 34 ASP HA 1 36 GLN H 5.000 . 5.000 4.618 4.513 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 34 ASP HA 1 37 LYS H 3.500 . 3.500 3.575 3.522 3.628 0.128 22 0 "[ . 1 . 2 . 3 .]" 1
262 1 35 ALA H 1 36 GLN H 2.800 . 2.800 2.631 2.550 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 35 ALA HA 1 36 GLN H 5.000 . 5.000 3.593 3.587 3.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 35 ALA MB 1 36 GLN H 5.000 . 5.000 2.509 2.458 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 35 ALA MB 1 36 GLN QG 5.000 . 5.000 3.433 3.017 3.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 35 ALA H 1 37 LYS H 5.000 . 5.000 4.078 3.945 4.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 35 ALA HA 1 37 LYS H 5.000 . 5.000 4.276 4.188 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 35 ALA MB 1 37 LYS H 5.000 . 5.000 4.470 4.421 4.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 35 ALA HA 1 38 ASP H 3.500 . 3.500 3.437 3.229 3.567 0.067 7 0 "[ . 1 . 2 . 3 .]" 1
270 1 35 ALA MB 1 38 ASP H 5.000 . 5.000 4.634 4.457 4.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 35 ALA MB 1 38 ASP QB 5.000 . 5.000 3.957 3.806 4.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 35 ALA MB 1 50 GLN QB 3.500 . 3.500 3.565 3.515 3.720 0.220 17 0 "[ . 1 . 2 . 3 .]" 1
273 1 35 ALA MB 1 50 GLN QG 2.800 . 2.800 2.072 1.859 2.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 35 ALA MB 1 51 LEU HA 3.500 . 3.500 3.318 3.136 3.539 0.039 3 0 "[ . 1 . 2 . 3 .]" 1
275 1 35 ALA MB 1 51 LEU QD 3.500 . 3.500 3.524 3.389 3.597 0.097 25 0 "[ . 1 . 2 . 3 .]" 1
276 1 35 ALA H 1 54 ILE MD 5.000 . 5.000 3.973 3.865 4.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 35 ALA MB 1 54 ILE HA 5.000 . 5.000 3.851 3.723 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 35 ALA MB 1 54 ILE HB 5.000 . 5.000 3.833 3.772 3.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 35 ALA MB 1 54 ILE QG 2.300 . 2.300 1.763 1.689 1.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 35 ALA MB 1 54 ILE MG 3.500 . 3.500 3.603 3.555 3.681 0.181 31 0 "[ . 1 . 2 . 3 .]" 1
281 1 35 ALA MB 1 54 ILE MD 2.300 . 2.300 1.834 1.768 2.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 36 GLN H 1 36 GLN HB2 2.800 . 2.800 2.237 2.159 2.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 36 GLN H 1 36 GLN QG 5.000 . 5.000 2.569 2.201 2.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
284 1 36 GLN HA 1 36 GLN HB3 2.800 . 2.800 2.630 2.500 2.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 36 GLN H 1 37 LYS H 2.800 . 2.800 2.738 2.613 2.817 0.017 28 0 "[ . 1 . 2 . 3 .]" 1
286 1 36 GLN H 1 38 ASP H 5.000 . 5.000 4.205 4.090 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 36 GLN H 1 54 ILE MG 5.000 . 5.000 4.768 4.620 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
288 1 36 GLN HA 1 54 ILE MD 2.800 . 2.800 2.857 2.833 2.906 0.106 17 0 "[ . 1 . 2 . 3 .]" 1
289 1 36 GLN QG 1 54 ILE MD 2.300 . 2.300 2.015 1.827 2.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 37 LYS H 1 37 LYS HB2 2.800 . 2.800 2.274 2.165 2.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 37 LYS HA 1 37 LYS HB3 2.800 . 2.800 2.584 2.485 2.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 37 LYS H 1 38 ASP H 2.800 . 2.800 2.422 2.326 2.811 0.011 20 0 "[ . 1 . 2 . 3 .]" 1
293 1 37 LYS HA 1 38 ASP H 3.500 . 3.500 3.575 3.534 3.584 0.084 33 0 "[ . 1 . 2 . 3 .]" 1
294 1 37 LYS HA 1 40 SER H 3.500 . 3.500 3.481 3.276 3.538 0.038 24 0 "[ . 1 . 2 . 3 .]" 1
295 1 38 ASP H 1 39 LYS H 2.800 . 2.800 2.821 2.638 2.866 0.066 32 0 "[ . 1 . 2 . 3 .]" 1
296 1 38 ASP HA 1 39 LYS H 5.000 . 5.000 3.590 3.582 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 40 SER HA 1 43 LEU QB 5.000 . 5.000 4.795 3.975 5.062 0.062 27 0 "[ . 1 . 2 . 3 .]" 1
298 1 40 SER HA 1 43 LEU QD 5.000 . 5.000 4.398 3.284 5.019 0.019 22 0 "[ . 1 . 2 . 3 .]" 1
299 1 43 LEU H 1 44 ALA H 3.500 . 3.500 2.997 2.314 3.538 0.038 5 0 "[ . 1 . 2 . 3 .]" 1
300 1 43 LEU HA 1 44 ALA H 5.000 . 5.000 2.915 2.354 3.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
301 1 43 LEU QB 1 44 ALA H 5.000 . 5.000 3.442 2.137 4.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 44 ALA MB 1 45 ALA H 3.500 . 3.500 2.502 2.114 3.651 0.151 5 0 "[ . 1 . 2 . 3 .]" 1
303 1 45 ALA HA 1 46 LYS H 2.800 . 2.800 2.533 2.257 2.874 0.074 11 0 "[ . 1 . 2 . 3 .]" 1
304 1 45 ALA MB 1 46 LYS H 3.500 . 3.500 2.729 2.119 3.671 0.171 31 0 "[ . 1 . 2 . 3 .]" 1
305 1 46 LYS HA 1 47 SER H 3.500 . 3.500 2.630 2.342 2.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 46 LYS QB 1 47 SER H 5.000 . 5.000 3.964 3.805 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 46 LYS HA 1 49 GLU QG 3.500 . 3.500 3.481 3.149 3.550 0.050 33 0 "[ . 1 . 2 . 3 .]" 1
308 1 47 SER H 1 47 SER QB 3.500 . 3.500 2.437 2.137 3.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 47 SER HA 1 48 ASN H 3.500 . 3.500 3.600 3.581 3.609 0.109 35 0 "[ . 1 . 2 . 3 .]" 1
310 1 47 SER QB 1 48 ASN H 3.500 . 3.500 2.554 2.169 3.192 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 47 SER HA 1 49 GLU H 5.000 . 5.000 4.424 4.239 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 47 SER QB 1 49 GLU H 5.000 . 5.000 4.694 4.461 5.010 0.010 27 0 "[ . 1 . 2 . 3 .]" 1
313 1 47 SER HA 1 50 GLN H 3.500 . 3.500 3.504 3.328 3.554 0.054 8 0 "[ . 1 . 2 . 3 .]" 1
314 1 47 SER HA 1 50 GLN QB 3.500 . 3.500 2.955 2.726 3.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 47 SER QB 1 50 GLN H 5.000 . 5.000 4.903 4.803 5.024 0.024 34 0 "[ . 1 . 2 . 3 .]" 1
316 1 48 ASN H 1 49 GLU H 2.800 . 2.800 2.815 2.720 2.837 0.037 24 0 "[ . 1 . 2 . 3 .]" 1
317 1 48 ASN HA 1 49 GLU H 5.000 . 5.000 3.593 3.588 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
318 1 48 ASN HA 1 51 LEU H 3.500 . 3.500 3.488 3.401 3.531 0.031 30 0 "[ . 1 . 2 . 3 .]" 1
319 1 48 ASN HA 1 51 LEU QB 3.500 . 3.500 2.783 2.328 3.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 48 ASN HA 1 51 LEU QD 5.000 . 5.000 2.848 2.530 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 48 ASN QB 1 51 LEU QB 5.000 . 5.000 4.323 4.062 4.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 48 ASN QB 1 51 LEU QD 5.000 . 5.000 4.453 4.062 4.764 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 48 ASN QB 1 52 TRP HZ2 5.000 . 5.000 2.853 2.171 3.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 49 GLU H 1 49 GLU HB2 2.800 . 2.800 2.452 2.349 2.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
325 1 49 GLU H 1 49 GLU QG 5.000 . 5.000 2.229 2.137 2.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
326 1 49 GLU HA 1 49 GLU HB3 2.800 . 2.800 2.513 2.477 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 49 GLU H 1 50 GLN H 2.800 . 2.800 2.768 2.685 2.819 0.019 12 0 "[ . 1 . 2 . 3 .]" 1
328 1 49 GLU HA 1 50 GLN H 5.000 . 5.000 3.598 3.592 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 49 GLU QB 1 50 GLN H 5.000 . 5.000 2.561 2.421 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 49 GLU QG 1 50 GLN H 5.000 . 5.000 4.040 3.893 4.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 49 GLU H 1 51 LEU H 5.000 . 5.000 4.323 4.070 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 49 GLU HA 1 51 LEU H 5.000 . 5.000 4.499 4.326 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 49 GLU HA 1 52 TRP H 3.500 . 3.500 3.468 3.258 3.559 0.059 18 0 "[ . 1 . 2 . 3 .]" 1
334 1 49 GLU HA 1 52 TRP HE3 3.500 . 3.500 2.756 2.482 3.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 49 GLU HA 1 52 TRP HH2 5.000 . 5.000 4.836 4.488 5.032 0.032 3 0 "[ . 1 . 2 . 3 .]" 1
336 1 49 GLU QG 1 52 TRP HE3 3.500 . 3.500 3.428 2.962 3.535 0.035 33 0 "[ . 1 . 2 . 3 .]" 1
337 1 49 GLU QG 1 52 TRP HZ3 3.500 . 3.500 2.851 2.529 3.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 50 GLN H 1 50 GLN QG 5.000 . 5.000 4.015 3.740 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 50 GLN H 1 51 LEU H 2.800 . 2.800 2.762 2.649 2.839 0.039 17 0 "[ . 1 . 2 . 3 .]" 1
340 1 50 GLN QB 1 51 LEU H 5.000 . 5.000 2.518 2.409 2.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 50 GLN QB 1 51 LEU QB 5.000 . 5.000 4.266 4.132 4.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 50 GLN QG 1 51 LEU H 5.000 . 5.000 3.998 3.746 4.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 50 GLN QG 1 51 LEU QD 5.000 . 5.000 4.364 3.532 4.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 50 GLN H 1 52 TRP H 5.000 . 5.000 4.220 4.109 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 50 GLN QG 1 54 ILE MD 5.000 . 5.000 3.734 3.343 4.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 50 GLN HE21 1 54 ILE MD 5.000 . 5.000 4.812 2.433 5.030 0.030 19 0 "[ . 1 . 2 . 3 .]" 1
347 1 51 LEU H 1 51 LEU HB2 2.800 . 2.800 2.238 2.166 2.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 51 LEU H 1 51 LEU QD 5.000 . 5.000 3.188 2.093 3.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 51 LEU HA 1 51 LEU HB3 2.800 . 2.800 2.637 2.492 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 51 LEU H 1 52 TRP H 2.800 . 2.800 2.758 2.586 2.812 0.012 13 0 "[ . 1 . 2 . 3 .]" 1
351 1 51 LEU HA 1 52 TRP H 5.000 . 5.000 3.591 3.580 3.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 51 LEU QB 1 52 TRP H 5.000 . 5.000 2.709 2.583 2.783 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 51 LEU QD 1 52 TRP H 5.000 . 5.000 4.152 3.856 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 51 LEU HA 1 54 ILE H 3.500 . 3.500 3.287 3.028 3.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 51 LEU HA 1 54 ILE MG 5.000 . 5.000 4.294 3.905 4.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 51 LEU QB 1 54 ILE MD 5.000 . 5.000 4.187 3.947 4.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 51 LEU QD 1 54 ILE H 5.000 . 5.000 4.343 4.140 4.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 51 LEU QD 1 54 ILE HB 5.000 . 5.000 3.256 2.894 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 51 LEU QB 1 55 MET ME 5.000 . 5.000 4.629 3.694 5.125 0.125 29 0 "[ . 1 . 2 . 3 .]" 1
360 1 51 LEU QD 1 55 MET QG 5.000 . 5.000 5.002 4.622 5.070 0.070 27 0 "[ . 1 . 2 . 3 .]" 1
361 1 52 TRP H 1 52 TRP HB2 2.800 . 2.800 2.524 2.456 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 52 TRP HA 1 52 TRP HB3 2.800 . 2.800 2.490 2.473 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 52 TRP HA 1 52 TRP HD1 5.000 . 5.000 2.203 2.096 2.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 52 TRP HA 1 52 TRP HE1 5.000 . 5.000 4.694 4.612 4.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 52 TRP H 1 53 GLU H 2.800 . 2.800 2.794 2.759 2.839 0.039 10 0 "[ . 1 . 2 . 3 .]" 1
366 1 52 TRP HA 1 53 GLU H 5.000 . 5.000 3.582 3.570 3.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 52 TRP QB 1 53 GLU H 3.500 . 3.500 2.646 2.540 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 52 TRP HA 1 55 MET H 3.500 . 3.500 3.584 3.495 3.644 0.144 32 0 "[ . 1 . 2 . 3 .]" 1
369 1 52 TRP HD1 1 55 MET ME 3.500 . 3.500 3.537 3.375 3.590 0.090 25 0 "[ . 1 . 2 . 3 .]" 1
370 1 52 TRP HA 1 56 GLN H 5.000 . 5.000 3.870 3.658 4.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 52 TRP QB 1 56 GLN QE 5.000 . 5.000 4.029 2.133 4.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 52 TRP HH2 1 146 GLN QB 5.000 . 5.000 4.594 4.352 4.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 52 TRP HH2 1 146 GLN QG 3.500 . 3.500 3.470 3.192 3.543 0.043 25 0 "[ . 1 . 2 . 3 .]" 1
374 1 52 TRP HE1 1 148 VAL HA 3.500 . 3.500 3.579 3.552 3.621 0.121 8 0 "[ . 1 . 2 . 3 .]" 1
375 1 52 TRP HE1 1 148 VAL QG 5.000 . 5.000 3.844 3.168 4.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 52 TRP HZ2 1 148 VAL HA 2.800 . 2.800 1.900 1.853 1.928 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 52 TRP HZ2 1 148 VAL HB 5.000 . 5.000 3.745 3.314 4.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 52 TRP HZ2 1 148 VAL QG 3.500 . 3.500 2.929 2.405 3.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 52 TRP HH2 1 148 VAL HA 3.500 . 3.500 3.606 3.552 3.646 0.146 3 0 "[ . 1 . 2 . 3 .]" 1
380 1 52 TRP HH2 1 148 VAL QG 5.000 . 5.000 4.180 3.907 4.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 52 TRP HD1 1 150 CYS H 5.000 . 5.000 4.822 4.726 5.009 0.009 5 0 "[ . 1 . 2 . 3 .]" 1
382 1 52 TRP HD1 1 150 CYS HA 3.500 . 3.500 2.265 2.128 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 52 TRP HD1 1 150 CYS HB3 5.000 . 5.000 4.627 4.532 4.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 52 TRP HE1 1 150 CYS H 5.000 . 5.000 4.182 3.977 4.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 52 TRP HE1 1 150 CYS HA 5.000 . 5.000 3.335 3.071 3.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 52 TRP HA 1 151 GLY H 5.000 . 5.000 3.349 3.053 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 52 TRP HA 1 151 GLY QA 5.000 . 5.000 4.336 3.981 4.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 52 TRP QB 1 151 GLY H 2.800 . 2.800 2.295 2.142 2.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
389 1 52 TRP QB 1 151 GLY QA 2.800 . 2.800 2.190 1.937 2.882 0.082 3 0 "[ . 1 . 2 . 3 .]" 1
390 1 52 TRP HZ3 1 151 GLY QA 3.500 . 3.500 3.442 2.846 3.552 0.052 22 0 "[ . 1 . 2 . 3 .]" 1
391 1 53 GLU H 1 53 GLU QG 5.000 . 5.000 3.132 2.152 4.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 53 GLU H 1 54 ILE H 2.800 . 2.800 2.709 2.622 2.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 53 GLU HA 1 54 ILE H 5.000 . 5.000 3.582 3.570 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 53 GLU HA 1 56 GLN H 3.500 . 3.500 3.548 3.349 3.585 0.085 8 0 "[ . 1 . 2 . 3 .]" 1
395 1 53 GLU HA 1 56 GLN QB 3.500 . 3.500 2.262 2.149 2.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 53 GLU HA 1 57 LEU H 5.000 . 5.000 4.106 3.718 4.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 54 ILE H 1 55 MET H 2.800 . 2.800 2.814 2.716 2.847 0.047 18 0 "[ . 1 . 2 . 3 .]" 1
398 1 54 ILE HA 1 55 MET H 5.000 . 5.000 3.641 3.614 3.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 54 ILE MD 1 55 MET H 5.000 . 5.000 4.403 4.248 4.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 54 ILE HA 1 57 LEU H 3.500 . 3.500 3.474 3.375 3.527 0.027 25 0 "[ . 1 . 2 . 3 .]" 1
401 1 54 ILE HA 1 57 LEU QD 3.500 . 3.500 2.253 1.932 2.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 54 ILE MG 1 58 HIS H 5.000 . 5.000 4.895 4.698 5.069 0.069 30 0 "[ . 1 . 2 . 3 .]" 1
403 1 55 MET H 1 56 GLN H 2.800 . 2.800 2.749 2.641 2.807 0.007 35 0 "[ . 1 . 2 . 3 .]" 1
404 1 55 MET HA 1 56 GLN H 5.000 . 5.000 3.566 3.544 3.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 55 MET HA 1 58 HIS H 3.500 . 3.500 3.481 3.336 3.547 0.047 21 0 "[ . 1 . 2 . 3 .]" 1
406 1 55 MET HA 1 58 HIS QB 3.500 . 3.500 3.094 2.798 3.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
407 1 55 MET QB 1 58 HIS H 5.000 . 5.000 4.835 4.617 4.964 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 55 MET QB 1 150 CYS HA 5.000 . 5.000 4.631 4.450 4.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 55 MET HB3 1 150 CYS HB3 5.000 . 5.000 5.096 5.062 5.224 0.224 10 0 "[ . 1 . 2 . 3 .]" 1
410 1 55 MET HB2 1 150 CYS HB2 5.000 . 5.000 4.462 4.105 5.032 0.032 27 0 "[ . 1 . 2 . 3 .]" 1
411 1 55 MET QG 1 150 CYS HB3 3.500 . 3.500 3.224 3.086 3.503 0.003 25 0 "[ . 1 . 2 . 3 .]" 1
412 1 55 MET QG 1 150 CYS HB2 3.500 . 3.500 2.613 2.288 3.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 55 MET ME 1 150 CYS HB3 2.800 . 2.800 2.047 1.842 2.965 0.165 8 0 "[ . 1 . 2 . 3 .]" 1
414 1 55 MET ME 1 150 CYS HB2 2.800 . 2.800 2.600 1.831 2.855 0.055 10 0 "[ . 1 . 2 . 3 .]" 1
415 1 56 GLN H 1 56 GLN HB2 2.800 . 2.800 2.203 2.163 2.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 56 GLN HA 1 56 GLN HB3 2.800 . 2.800 2.645 2.592 2.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
417 1 56 GLN H 1 57 LEU H 2.800 . 2.800 2.654 2.547 2.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
418 1 56 GLN HA 1 57 LEU H 5.000 . 5.000 3.598 3.592 3.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 56 GLN QB 1 57 LEU H 5.000 . 5.000 2.683 2.633 2.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 56 GLN HA 1 59 HIS H 3.500 . 3.500 3.501 3.393 3.538 0.038 31 0 "[ . 1 . 2 . 3 .]" 1
421 1 56 GLN HA 1 59 HIS QB 3.500 . 3.500 3.447 3.192 3.538 0.038 11 0 "[ . 1 . 2 . 3 .]" 1
422 1 57 LEU H 1 57 LEU HB2 2.800 . 2.800 2.214 2.188 2.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 57 LEU H 1 57 LEU QD 5.000 . 5.000 3.071 2.098 3.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 57 LEU HA 1 57 LEU HB3 2.800 . 2.800 2.680 2.611 2.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 57 LEU H 1 58 HIS H 2.800 . 2.800 2.839 2.819 2.851 0.051 6 0 "[ . 1 . 2 . 3 .]" 1
426 1 57 LEU HA 1 60 GLN H 3.500 . 3.500 3.382 3.224 3.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 57 LEU HA 1 60 GLN QB 3.500 . 3.500 2.972 2.732 3.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 57 LEU QD 1 60 GLN QG 5.000 . 5.000 3.891 3.503 4.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 57 LEU QD 1 61 ARG H 5.000 . 5.000 4.452 4.144 4.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
430 1 58 HIS H 1 58 HIS HB3 2.800 . 2.800 2.779 2.573 2.896 0.096 10 0 "[ . 1 . 2 . 3 .]" 1
431 1 58 HIS H 1 58 HIS HB2 2.800 . 2.800 2.258 2.150 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
432 1 58 HIS HA 1 58 HIS HB2 2.800 . 2.800 2.598 2.495 2.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 58 HIS QB 1 58 HIS HD2 2.800 . 2.800 2.746 2.680 2.834 0.034 20 0 "[ . 1 . 2 . 3 .]" 1
434 1 58 HIS H 1 59 HIS H 2.800 . 2.800 2.840 2.802 2.902 0.102 30 0 "[ . 1 . 2 . 3 .]" 1
435 1 58 HIS HA 1 59 HIS H 5.000 . 5.000 3.595 3.587 3.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
436 1 58 HIS QB 1 59 HIS H 3.500 . 3.500 2.598 2.537 2.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
437 1 58 HIS HD2 1 59 HIS H 5.000 . 5.000 4.590 3.914 5.014 0.014 10 0 "[ . 1 . 2 . 3 .]" 1
438 1 58 HIS HA 1 61 ARG H 3.500 . 3.500 3.380 3.261 3.563 0.063 30 0 "[ . 1 . 2 . 3 .]" 1
439 1 58 HIS HD2 1 93 LEU QD 5.000 . 5.000 2.668 1.907 3.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 59 HIS H 1 60 GLN H 2.800 . 2.800 2.810 2.653 2.840 0.040 4 0 "[ . 1 . 2 . 3 .]" 1
441 1 59 HIS HA 1 60 GLN H 5.000 . 5.000 3.608 3.601 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 59 HIS QB 1 60 GLN H 5.000 . 5.000 2.487 2.417 2.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 59 HIS HA 1 62 SER H 3.500 . 3.500 3.548 3.525 3.565 0.065 8 0 "[ . 1 . 2 . 3 .]" 1
444 1 59 HIS HA 1 93 LEU QD 5.000 . 5.000 3.273 2.931 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
445 1 59 HIS QB 1 93 LEU QD 5.000 . 5.000 4.290 4.063 4.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 59 HIS HD2 1 93 LEU HG 5.000 . 5.000 4.377 2.265 5.004 0.004 32 0 "[ . 1 . 2 . 3 .]" 1
447 1 59 HIS HD2 1 93 LEU QD 2.800 . 2.800 2.206 1.925 2.824 0.024 7 0 "[ . 1 . 2 . 3 .]" 1
448 1 59 HIS HE1 1 97 TRP HZ2 2.800 . 2.800 2.510 2.269 2.822 0.022 29 0 "[ . 1 . 2 . 3 .]" 1
449 1 59 HIS HE1 1 97 TRP HH2 3.500 . 3.500 3.530 3.515 3.546 0.046 23 0 "[ . 1 . 2 . 3 .]" 1
450 1 59 HIS HE1 1 106 CYS HA 2.300 . 2.300 2.201 1.951 2.355 0.055 29 0 "[ . 1 . 2 . 3 .]" 1
451 1 59 HIS HE1 1 106 CYS QB 3.500 . 3.500 3.562 3.509 3.619 0.119 29 0 "[ . 1 . 2 . 3 .]" 1
452 1 60 GLN H 1 60 GLN QG 5.000 . 5.000 4.003 3.855 4.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
453 1 60 GLN H 1 61 ARG H 2.800 . 2.800 2.754 2.700 2.807 0.007 26 0 "[ . 1 . 2 . 3 .]" 1
454 1 60 GLN QB 1 61 ARG H 5.000 . 5.000 2.644 2.525 2.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 60 GLN HA 1 62 SER H 5.000 . 5.000 4.738 4.540 4.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 60 GLN HA 1 63 ARG H 3.500 . 3.500 3.475 3.370 3.538 0.038 30 0 "[ . 1 . 2 . 3 .]" 1
457 1 61 ARG H 1 62 SER H 2.800 . 2.800 2.781 2.621 2.817 0.017 34 0 "[ . 1 . 2 . 3 .]" 1
458 1 61 ARG HA 1 64 TYR H 3.500 . 3.500 3.501 3.444 3.536 0.036 25 0 "[ . 1 . 2 . 3 .]" 1
459 1 62 SER H 1 62 SER HB3 2.800 . 2.800 2.501 2.189 2.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 62 SER HA 1 62 SER HB3 2.800 . 2.800 2.503 2.373 2.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
461 1 62 SER HA 1 62 SER HB2 2.800 . 2.800 2.473 2.338 2.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 62 SER H 1 63 ARG H 2.800 . 2.800 2.713 2.651 2.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 62 SER HA 1 63 ARG H 5.000 . 5.000 3.596 3.592 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 62 SER HA 1 65 ILE H 3.500 . 3.500 3.554 3.526 3.581 0.081 29 0 "[ . 1 . 2 . 3 .]" 1
465 1 62 SER HA 1 65 ILE QG 5.000 . 5.000 4.139 4.026 4.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 62 SER HA 1 65 ILE MD 5.000 . 5.000 3.488 2.989 3.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 62 SER HA 1 89 ALA MB 2.800 . 2.800 1.953 1.832 2.100 . 0 0 "[ . 1 . 2 . 3 .]" 1
468 1 62 SER QB 1 89 ALA MB 3.500 . 3.500 2.737 2.254 3.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 62 SER H 1 94 ILE MD 5.000 . 5.000 5.121 5.085 5.167 0.167 15 0 "[ . 1 . 2 . 3 .]" 1
470 1 62 SER QB 1 94 ILE MG 5.000 . 5.000 4.484 4.317 4.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 62 SER QB 1 94 ILE MD 2.800 . 2.800 2.286 2.141 2.416 . 0 0 "[ . 1 . 2 . 3 .]" 1
472 1 63 ARG H 1 63 ARG HB3 2.800 . 2.800 2.681 2.482 2.864 0.064 13 0 "[ . 1 . 2 . 3 .]" 1
473 1 63 ARG H 1 63 ARG HB2 2.800 . 2.800 2.360 2.177 2.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 63 ARG HA 1 63 ARG HB2 2.800 . 2.800 2.573 2.479 2.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 63 ARG H 1 64 TYR H 2.800 . 2.800 2.704 2.681 2.731 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 63 ARG HA 1 64 TYR H 5.000 . 5.000 3.595 3.590 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 63 ARG HA 1 66 TYR H 3.500 . 3.500 3.519 3.475 3.543 0.043 25 0 "[ . 1 . 2 . 3 .]" 1
478 1 63 ARG HA 1 66 TYR QB 3.500 . 3.500 2.238 2.071 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 63 ARG HA 1 66 TYR QD 5.000 . 5.000 3.852 3.150 4.401 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 64 TYR H 1 64 TYR HB3 2.800 . 2.800 2.475 2.402 2.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 64 TYR H 1 64 TYR HB2 2.800 . 2.800 2.526 2.470 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 64 TYR H 1 64 TYR QD 5.000 . 5.000 4.180 4.163 4.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 64 TYR HA 1 64 TYR HB2 2.800 . 2.800 2.475 2.448 2.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 64 TYR H 1 65 ILE H 2.800 . 2.800 2.824 2.802 2.843 0.043 29 0 "[ . 1 . 2 . 3 .]" 1
485 1 64 TYR HA 1 65 ILE H 5.000 . 5.000 3.619 3.612 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 64 TYR QD 1 65 ILE H 5.000 . 5.000 2.923 2.684 3.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 64 TYR H 1 66 TYR H 5.000 . 5.000 4.031 3.912 4.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 64 TYR QB 1 67 THR H 5.000 . 5.000 5.022 4.973 5.052 0.052 8 0 "[ . 1 . 2 . 3 .]" 1
489 1 64 TYR QB 1 68 LEU QD 5.000 . 5.000 4.013 3.802 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 64 TYR QD 1 68 LEU QD 5.000 . 5.000 2.461 2.221 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 64 TYR QE 1 68 LEU QD 5.000 . 5.000 2.316 2.142 2.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 65 ILE H 1 65 ILE QG 5.000 . 5.000 2.146 2.132 2.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 65 ILE H 1 66 TYR H 2.800 . 2.800 2.589 2.514 2.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 65 ILE HA 1 66 TYR H 5.000 . 5.000 3.587 3.580 3.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 65 ILE HB 1 66 TYR H 5.000 . 5.000 2.635 2.486 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 65 ILE MG 1 66 TYR H 5.000 . 5.000 3.463 3.393 3.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 65 ILE HA 1 68 LEU H 3.500 . 3.500 3.436 3.253 3.543 0.043 18 0 "[ . 1 . 2 . 3 .]" 1
498 1 65 ILE HA 1 68 LEU QD 3.500 . 3.500 1.953 1.904 2.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 65 ILE MG 1 68 LEU QD 5.000 . 5.000 2.807 2.675 2.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 65 ILE HA 1 69 TYR H 5.000 . 5.000 3.729 3.467 3.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 65 ILE MG 1 69 TYR QD 5.000 . 5.000 4.126 3.887 4.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 65 ILE MG 1 80 TYR HA 5.000 . 5.000 3.200 3.113 3.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 65 ILE MG 1 80 TYR QB 5.000 . 5.000 3.737 3.635 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
504 1 65 ILE MG 1 80 TYR QD 3.500 . 3.500 1.916 1.865 1.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 65 ILE MG 1 80 TYR QE 3.500 . 3.500 1.844 1.825 1.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 65 ILE MD 1 80 TYR HA 5.000 . 5.000 4.345 4.121 4.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 65 ILE MD 1 80 TYR QD 3.500 . 3.500 3.481 3.270 3.524 0.024 34 0 "[ . 1 . 2 . 3 .]" 1
508 1 65 ILE MD 1 80 TYR QE 3.500 . 3.500 3.395 3.136 3.508 0.008 29 0 "[ . 1 . 2 . 3 .]" 1
509 1 65 ILE MG 1 83 LEU QD 2.800 . 2.800 2.540 2.294 2.811 0.011 20 0 "[ . 1 . 2 . 3 .]" 1
510 1 65 ILE MD 1 83 LEU HA 5.000 . 5.000 4.392 4.256 4.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 65 ILE MD 1 83 LEU QB 2.800 . 2.800 2.205 2.073 2.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
512 1 65 ILE MD 1 83 LEU QD 2.300 . 2.300 2.286 1.834 2.350 0.050 35 0 "[ . 1 . 2 . 3 .]" 1
513 1 65 ILE MG 1 84 ILE MD 3.500 . 3.500 3.385 2.815 3.546 0.046 11 0 "[ . 1 . 2 . 3 .]" 1
514 1 65 ILE MD 1 84 ILE MD 3.500 . 3.500 3.246 2.989 3.539 0.039 14 0 "[ . 1 . 2 . 3 .]" 1
515 1 65 ILE MD 1 88 TYR H 5.000 . 5.000 4.608 4.426 4.762 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 65 ILE MD 1 88 TYR HA 5.000 . 5.000 3.855 3.686 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 65 ILE MD 1 88 TYR QB 2.300 . 2.300 1.923 1.823 2.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 65 ILE MD 1 88 TYR QD 2.800 . 2.800 2.790 2.623 2.834 0.034 34 0 "[ . 1 . 2 . 3 .]" 1
519 1 65 ILE MD 1 89 ALA MB 2.300 . 2.300 1.880 1.793 2.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 66 TYR H 1 66 TYR HB3 2.800 . 2.800 2.618 2.509 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 66 TYR H 1 66 TYR HB2 2.800 . 2.800 2.395 2.324 2.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 66 TYR HA 1 66 TYR HB2 2.800 . 2.800 2.547 2.502 2.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 66 TYR H 1 67 THR H 2.800 . 2.800 2.708 2.629 2.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 66 TYR QD 1 67 THR H 5.000 . 5.000 3.775 3.349 4.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 66 TYR H 1 68 LEU H 5.000 . 5.000 4.282 4.174 4.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
526 1 66 TYR HA 1 70 TYR H 3.500 . 3.500 3.293 2.959 3.566 0.066 25 0 "[ . 1 . 2 . 3 .]" 1
527 1 66 TYR QE 1 70 TYR QD 5.000 . 5.000 3.134 2.852 3.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 66 TYR QE 1 70 TYR QE 5.000 . 5.000 3.330 2.976 3.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 66 TYR HA 1 94 ILE MG 5.000 . 5.000 4.378 3.988 4.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 66 TYR HA 1 94 ILE MD 5.000 . 5.000 3.450 2.990 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 66 TYR QB 1 94 ILE MD 3.500 . 3.500 2.313 1.829 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 66 TYR QD 1 94 ILE MG 2.800 . 2.800 2.045 1.857 2.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 66 TYR QD 1 94 ILE MD 2.800 . 2.800 1.915 1.873 1.942 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 66 TYR QE 1 94 ILE MG 2.800 . 2.800 2.025 1.851 2.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 66 TYR QE 1 94 ILE MD 3.500 . 3.500 3.588 3.538 3.624 0.124 30 0 "[ . 1 . 2 . 3 .]" 1
536 1 67 THR H 1 68 LEU H 2.800 . 2.800 2.684 2.381 2.851 0.051 13 0 "[ . 1 . 2 . 3 .]" 1
537 1 67 THR HB 1 68 LEU H 5.000 . 5.000 2.646 2.578 2.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 67 THR MG 1 68 LEU H 5.000 . 5.000 3.564 3.440 3.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 67 THR MG 1 68 LEU HA 5.000 . 5.000 3.618 3.483 3.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 67 THR MG 1 68 LEU QD 5.000 . 5.000 4.716 4.614 4.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 67 THR HA 1 70 TYR H 5.000 . 5.000 4.185 4.073 4.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 67 THR HA 1 71 LYS H 5.000 . 5.000 3.675 3.417 4.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 67 THR HA 1 71 LYS QB 5.000 . 5.000 2.919 2.611 3.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 67 THR HA 1 71 LYS QG 5.000 . 5.000 3.482 2.735 3.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
545 1 67 THR HA 1 71 LYS QD 5.000 . 5.000 1.892 1.812 1.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
546 1 67 THR MG 1 71 LYS H 5.000 . 5.000 4.473 4.243 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 67 THR MG 1 71 LYS QB 3.500 . 3.500 2.876 2.582 3.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 67 THR MG 1 71 LYS QG 5.000 . 5.000 4.070 3.659 4.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 67 THR MG 1 71 LYS QD 3.500 . 3.500 2.654 1.943 3.532 0.032 26 0 "[ . 1 . 2 . 3 .]" 1
550 1 67 THR MG 1 71 LYS QE 3.500 . 3.500 3.218 2.560 3.516 0.016 29 0 "[ . 1 . 2 . 3 .]" 1
551 1 67 THR MG 1 72 ARG H 5.000 . 5.000 3.630 3.307 3.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 67 THR MG 1 72 ARG QD 5.000 . 5.000 3.820 1.971 4.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 1 68 LEU H 1 68 LEU HB3 2.800 . 2.800 2.561 2.542 2.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
554 1 68 LEU H 1 68 LEU QD 5.000 . 5.000 2.968 2.938 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 68 LEU HA 1 68 LEU HB3 2.800 . 2.800 2.513 2.503 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 68 LEU HA 1 68 LEU HB2 2.800 . 2.800 2.415 2.408 2.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
557 1 68 LEU H 1 69 TYR H 2.800 . 2.800 2.587 2.561 2.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 68 LEU HA 1 69 TYR H 5.000 . 5.000 3.585 3.574 3.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 68 LEU QD 1 69 TYR H 5.000 . 5.000 2.493 2.331 2.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 68 LEU HA 1 71 LYS QD 5.000 . 5.000 5.074 5.023 5.120 0.120 32 0 "[ . 1 . 2 . 3 .]" 1
561 1 68 LEU HA 1 72 ARG H 3.500 . 3.500 2.758 2.667 2.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 68 LEU HA 1 72 ARG QB 5.000 . 5.000 1.868 1.822 2.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 68 LEU QD 1 72 ARG H 5.000 . 5.000 5.053 5.004 5.085 0.085 27 0 "[ . 1 . 2 . 3 .]" 1
564 1 68 LEU HA 1 74 ALA MB 5.000 . 5.000 4.055 3.785 4.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 68 LEU QD 1 74 ALA H 3.500 . 3.500 3.309 3.194 3.570 0.070 21 0 "[ . 1 . 2 . 3 .]" 1
566 1 68 LEU QD 1 74 ALA MB 3.500 . 3.500 3.366 3.091 3.507 0.007 13 0 "[ . 1 . 2 . 3 .]" 1
567 1 68 LEU QD 1 75 ILE MG 3.500 . 3.500 1.705 1.670 1.733 . 0 0 "[ . 1 . 2 . 3 .]" 1
568 1 68 LEU QD 1 75 ILE MD 2.800 . 2.800 1.823 1.679 2.196 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 68 LEU QD 1 79 LEU QD 5.000 . 5.000 3.437 3.261 3.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 69 TYR H 1 69 TYR QD 5.000 . 5.000 4.202 4.166 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 69 TYR H 1 70 TYR H 2.800 . 2.800 2.509 2.499 2.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
572 1 69 TYR HA 1 70 TYR H 5.000 . 5.000 3.593 3.584 3.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 69 TYR QB 1 70 TYR H 5.000 . 5.000 2.757 2.632 2.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 69 TYR QB 1 70 TYR QE 5.000 . 5.000 4.512 4.082 4.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 69 TYR QD 1 70 TYR H 5.000 . 5.000 3.412 3.072 3.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 69 TYR QD 1 70 TYR QD 5.000 . 5.000 3.160 2.878 3.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 69 TYR QD 1 70 TYR QE 5.000 . 5.000 3.471 3.122 3.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
578 1 69 TYR QE 1 70 TYR QD 5.000 . 5.000 4.097 3.857 4.262 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 69 TYR QE 1 70 TYR QE 5.000 . 5.000 3.312 2.998 3.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 69 TYR H 1 71 LYS H 5.000 . 5.000 3.954 3.909 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
581 1 69 TYR HA 1 71 LYS H 5.000 . 5.000 4.577 4.317 4.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 69 TYR H 1 75 ILE MD 5.000 . 5.000 4.493 4.241 4.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 69 TYR QB 1 75 ILE MD 2.800 . 2.800 2.747 2.558 2.826 0.026 24 0 "[ . 1 . 2 . 3 .]" 1
584 1 69 TYR QD 1 75 ILE H 5.000 . 5.000 4.739 4.657 4.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 69 TYR QD 1 75 ILE QG 3.500 . 3.500 2.914 2.808 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 69 TYR QD 1 75 ILE MG 2.800 . 2.800 1.803 1.793 1.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
587 1 69 TYR QD 1 75 ILE MD 3.500 . 3.500 2.800 2.678 2.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 69 TYR QE 1 75 ILE MD 5.000 . 5.000 4.562 4.477 4.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 69 TYR QD 1 77 LYS HA 5.000 . 5.000 3.900 3.831 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 69 TYR QE 1 77 LYS H 2.800 . 2.800 2.894 2.878 2.918 0.118 24 0 "[ . 1 . 2 . 3 .]" 1
591 1 69 TYR QE 1 77 LYS HA 2.800 . 2.800 2.001 1.954 2.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 69 TYR QE 1 77 LYS QB 3.500 . 3.500 3.223 3.047 3.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
593 1 69 TYR QE 1 77 LYS QG 3.500 . 3.500 3.353 3.111 3.501 0.001 34 0 "[ . 1 . 2 . 3 .]" 1
594 1 69 TYR QE 1 77 LYS QE 5.000 . 5.000 4.509 3.524 5.014 0.014 16 0 "[ . 1 . 2 . 3 .]" 1
595 1 69 TYR QD 1 80 TYR H 5.000 . 5.000 3.996 3.895 4.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 69 TYR QD 1 80 TYR QD 3.500 . 3.500 3.494 3.408 3.545 0.045 21 0 "[ . 1 . 2 . 3 .]" 1
597 1 69 TYR QD 1 80 TYR QE 5.000 . 5.000 3.849 3.438 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 1 69 TYR QE 1 80 TYR QD 3.500 . 3.500 3.030 2.914 3.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 70 TYR H 1 70 TYR HB2 2.800 . 2.800 2.202 2.168 2.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 70 TYR H 1 70 TYR QD 5.000 . 5.000 3.330 3.022 3.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 70 TYR HA 1 70 TYR HB3 2.800 . 2.800 2.662 2.598 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 70 TYR H 1 71 LYS H 2.800 . 2.800 2.450 2.380 2.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 1 70 TYR HA 1 71 LYS H 3.500 . 3.500 3.518 3.427 3.572 0.072 21 0 "[ . 1 . 2 . 3 .]" 1
604 1 70 TYR QD 1 71 LYS H 5.000 . 5.000 4.839 4.693 4.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 70 TYR QD 1 94 ILE MG 5.000 . 5.000 3.553 3.387 3.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 70 TYR QD 1 94 ILE MD 3.500 . 3.500 3.624 3.591 3.671 0.171 8 0 "[ . 1 . 2 . 3 .]" 1
607 1 70 TYR QE 1 94 ILE MG 2.800 . 2.800 2.725 2.530 2.851 0.051 28 0 "[ . 1 . 2 . 3 .]" 1
608 1 70 TYR QE 1 94 ILE MD 3.500 . 3.500 3.225 2.914 3.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 71 LYS H 1 71 LYS HB2 2.800 . 2.800 2.558 2.399 2.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 71 LYS H 1 71 LYS QG 5.000 . 5.000 2.935 2.341 3.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
611 1 71 LYS H 1 71 LYS QD 5.000 . 5.000 3.104 2.108 3.803 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 71 LYS HA 1 71 LYS HB3 2.800 . 2.800 2.479 2.420 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 71 LYS H 1 72 ARG H 2.800 . 2.800 2.399 2.332 2.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 71 LYS QB 1 72 ARG H 2.800 . 2.800 2.164 2.107 2.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 71 LYS H 1 73 LYS H 5.000 . 5.000 3.185 2.919 3.461 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 72 ARG HA 1 72 ARG QD 5.000 . 5.000 3.261 1.976 4.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 72 ARG H 1 73 LYS H 2.800 . 2.800 2.739 2.583 2.823 0.023 21 0 "[ . 1 . 2 . 3 .]" 1
618 1 72 ARG HA 1 73 LYS H 5.000 . 5.000 3.576 3.570 3.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 72 ARG QB 1 73 LYS H 2.800 . 2.800 2.801 2.715 2.831 0.031 12 0 "[ . 1 . 2 . 3 .]" 1
620 1 72 ARG H 1 74 ALA H 5.000 . 5.000 4.767 4.658 4.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 72 ARG HA 1 74 ALA H 5.000 . 5.000 4.869 4.781 5.002 0.002 24 0 "[ . 1 . 2 . 3 .]" 1
622 1 72 ARG QD 1 74 ALA MB 5.000 . 5.000 3.517 1.921 4.459 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 73 LYS H 1 74 ALA H 2.800 . 2.800 2.805 2.781 2.849 0.049 21 0 "[ . 1 . 2 . 3 .]" 1
624 1 73 LYS HA 1 74 ALA H 2.800 . 2.800 2.851 2.818 2.876 0.076 13 0 "[ . 1 . 2 . 3 .]" 1
625 1 73 LYS QB 1 74 ALA H 5.000 . 5.000 3.905 3.877 3.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 73 LYS H 1 75 ILE H 5.000 . 5.000 4.887 4.855 4.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 73 LYS HA 1 75 ILE H 5.000 . 5.000 3.491 3.324 4.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 74 ALA H 1 75 ILE H 2.800 . 2.800 2.786 2.335 2.840 0.040 12 0 "[ . 1 . 2 . 3 .]" 1
629 1 74 ALA HA 1 75 ILE H 3.500 . 3.500 3.009 2.949 3.594 0.094 21 0 "[ . 1 . 2 . 3 .]" 1
630 1 74 ALA MB 1 75 ILE H 5.000 . 5.000 3.580 2.153 3.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 75 ILE H 1 75 ILE QG 5.000 . 5.000 4.095 3.966 4.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 75 ILE H 1 76 SER H 5.000 . 5.000 4.466 4.438 4.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
633 1 75 ILE HA 1 76 SER H 2.800 . 2.800 2.469 2.459 2.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
634 1 75 ILE HB 1 76 SER H 5.000 . 5.000 4.002 3.996 4.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
635 1 75 ILE MG 1 76 SER H 5.000 . 5.000 3.587 3.541 3.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 75 ILE MG 1 80 TYR H 5.000 . 5.000 4.250 4.145 4.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 75 ILE MG 1 80 TYR HA 5.000 . 5.000 4.381 4.216 4.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 75 ILE MG 1 80 TYR QB 2.800 . 2.800 2.889 2.841 2.912 0.112 33 0 "[ . 1 . 2 . 3 .]" 1
639 1 75 ILE MD 1 80 TYR H 5.000 . 5.000 2.960 2.720 3.065 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 75 ILE MD 1 80 TYR HA 3.500 . 3.500 2.610 2.453 2.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
641 1 75 ILE MD 1 80 TYR QB 2.800 . 2.800 2.504 2.402 2.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 75 ILE MD 1 80 TYR QD 3.500 . 3.500 3.300 3.133 3.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 75 ILE MD 1 80 TYR QE 5.000 . 5.000 5.021 4.931 5.048 0.048 34 0 "[ . 1 . 2 . 3 .]" 1
644 1 76 SER H 1 77 LYS H 5.000 . 5.000 4.586 4.572 4.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
645 1 76 SER HA 1 77 LYS H 2.800 . 2.800 2.322 2.298 2.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 76 SER HA 1 78 ASP H 5.000 . 5.000 4.191 4.146 4.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 76 SER QB 1 79 LEU QD 5.000 . 5.000 4.432 4.125 5.006 0.006 13 0 "[ . 1 . 2 . 3 .]" 1
648 1 77 LYS H 1 78 ASP H 5.000 . 5.000 3.011 2.989 3.059 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 77 LYS HA 1 78 ASP H 5.000 . 5.000 3.587 3.585 3.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 77 LYS H 1 79 LEU H 5.000 . 5.000 4.785 4.704 4.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 77 LYS HA 1 80 TYR H 3.500 . 3.500 3.430 3.354 3.502 0.002 27 0 "[ . 1 . 2 . 3 .]" 1
652 1 78 ASP H 1 78 ASP HB2 2.800 . 2.800 2.311 2.194 2.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 78 ASP HA 1 78 ASP HB3 2.800 . 2.800 2.594 2.495 2.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 78 ASP H 1 79 LEU H 2.800 . 2.800 2.830 2.758 2.860 0.060 33 0 "[ . 1 . 2 . 3 .]" 1
655 1 78 ASP HA 1 79 LEU H 5.000 . 5.000 3.618 3.611 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 78 ASP QB 1 79 LEU H 5.000 . 5.000 2.417 2.321 2.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
657 1 78 ASP QB 1 79 LEU QD 5.000 . 5.000 4.512 3.903 4.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 78 ASP H 1 80 TYR H 5.000 . 5.000 4.089 4.043 4.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
659 1 78 ASP HA 1 81 ASP H 3.500 . 3.500 3.563 3.553 3.592 0.092 33 0 "[ . 1 . 2 . 3 .]" 1
660 1 78 ASP HA 1 81 ASP QB 3.500 . 3.500 2.785 2.652 2.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 79 LEU H 1 80 TYR H 2.800 . 2.800 2.657 2.595 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 79 LEU HA 1 80 TYR H 5.000 . 5.000 3.598 3.593 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 79 LEU H 1 81 ASP H 5.000 . 5.000 4.070 4.026 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 79 LEU HA 1 81 ASP H 5.000 . 5.000 4.388 4.296 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 79 LEU QD 1 82 TRP H 5.000 . 5.000 4.479 4.225 4.648 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 79 LEU QD 1 82 TRP QB 5.000 . 5.000 2.837 2.625 3.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 79 LEU QD 1 83 LEU H 5.000 . 5.000 4.071 3.541 4.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 79 LEU QD 1 83 LEU QB 5.000 . 5.000 4.412 3.740 4.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 80 TYR H 1 80 TYR HB3 2.800 . 2.800 2.454 2.412 2.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
670 1 80 TYR H 1 80 TYR HB2 2.800 . 2.800 2.551 2.516 2.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 80 TYR H 1 80 TYR QD 5.000 . 5.000 4.185 4.180 4.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 80 TYR HA 1 80 TYR HB2 2.800 . 2.800 2.462 2.455 2.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 80 TYR HA 1 80 TYR QE 5.000 . 5.000 4.375 4.342 4.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 80 TYR H 1 81 ASP H 2.800 . 2.800 2.754 2.661 2.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 80 TYR QB 1 81 ASP H 5.000 . 5.000 2.627 2.561 2.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 80 TYR QD 1 81 ASP H 5.000 . 5.000 4.061 4.009 4.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 80 TYR HA 1 83 LEU QD 3.500 . 3.500 1.982 1.875 2.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 80 TYR QB 1 83 LEU QD 5.000 . 5.000 3.628 3.447 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 1 80 TYR QD 1 83 LEU QD 5.000 . 5.000 2.900 2.545 3.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 80 TYR QD 1 84 ILE MD 5.000 . 5.000 4.023 2.945 4.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 80 TYR QE 1 84 ILE MD 5.000 . 5.000 2.920 2.081 3.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 80 TYR QE 1 89 ALA MB 3.500 . 3.500 3.326 3.043 3.515 0.015 7 0 "[ . 1 . 2 . 3 .]" 1
683 1 80 TYR QE 1 94 ILE MG 5.000 . 5.000 4.763 4.599 4.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 80 TYR QE 1 94 ILE MD 3.500 . 3.500 3.506 3.371 3.564 0.064 3 0 "[ . 1 . 2 . 3 .]" 1
685 1 81 ASP H 1 81 ASP HB3 2.800 . 2.800 2.603 2.499 2.724 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 81 ASP H 1 81 ASP HB2 2.800 . 2.800 2.454 2.335 2.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 81 ASP HA 1 81 ASP HB2 2.800 . 2.800 2.556 2.504 2.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
688 1 81 ASP H 1 82 TRP H 2.800 . 2.800 2.570 2.511 2.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 81 ASP HA 1 82 TRP H 5.000 . 5.000 3.596 3.593 3.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 81 ASP QB 1 82 TRP H 5.000 . 5.000 2.488 2.446 2.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
691 1 81 ASP HA 1 83 LEU H 5.000 . 5.000 4.260 4.159 4.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 81 ASP HA 1 84 ILE H 3.500 . 3.500 3.452 3.294 3.544 0.044 14 0 "[ . 1 . 2 . 3 .]" 1
693 1 81 ASP HA 1 84 ILE HB 3.500 . 3.500 2.872 2.485 3.503 0.003 12 0 "[ . 1 . 2 . 3 .]" 1
694 1 81 ASP HA 1 84 ILE MG 5.000 . 5.000 3.568 2.065 4.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 81 ASP HA 1 84 ILE MD 5.000 . 5.000 4.591 3.175 5.005 0.005 27 0 "[ . 1 . 2 . 3 .]" 1
696 1 81 ASP HA 1 85 LYS H 5.000 . 5.000 4.172 3.895 4.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 82 TRP H 1 82 TRP HB3 2.800 . 2.800 2.515 2.458 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 82 TRP H 1 82 TRP HB2 2.800 . 2.800 2.481 2.426 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 82 TRP HA 1 82 TRP HB2 2.800 . 2.800 2.488 2.469 2.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 82 TRP HA 1 82 TRP HD1 5.000 . 5.000 2.903 2.766 3.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 82 TRP H 1 83 LEU H 2.800 . 2.800 2.783 2.743 2.817 0.017 13 0 "[ . 1 . 2 . 3 .]" 1
702 1 82 TRP HA 1 83 LEU H 5.000 . 5.000 3.591 3.588 3.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 82 TRP QB 1 83 LEU H 5.000 . 5.000 2.623 2.562 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 82 TRP HE3 1 83 LEU H 5.000 . 5.000 3.330 3.062 3.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 82 TRP HZ3 1 83 LEU QD 3.500 . 3.500 2.545 2.189 3.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
706 1 82 TRP HH2 1 83 LEU QD 5.000 . 5.000 4.428 4.192 4.994 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 82 TRP HA 1 85 LYS H 3.500 . 3.500 3.541 3.508 3.573 0.073 30 0 "[ . 1 . 2 . 3 .]" 1
708 1 82 TRP HA 1 86 GLU H 5.000 . 5.000 4.353 4.133 4.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 82 TRP HD1 1 86 GLU QG 5.000 . 5.000 3.512 3.160 3.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
710 1 82 TRP HZ3 1 88 TYR QE 3.500 . 3.500 3.526 3.439 3.567 0.067 33 0 "[ . 1 . 2 . 3 .]" 1
711 1 82 TRP HH2 1 88 TYR QE 5.000 . 5.000 4.207 4.080 4.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 83 LEU H 1 83 LEU HB2 2.800 . 2.800 2.430 2.165 2.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 83 LEU HA 1 83 LEU HB3 2.800 . 2.800 2.513 2.486 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 83 LEU H 1 84 ILE H 2.800 . 2.800 2.754 2.648 2.858 0.058 14 0 "[ . 1 . 2 . 3 .]" 1
715 1 83 LEU QD 1 84 ILE H 5.000 . 5.000 3.821 3.728 3.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
716 1 83 LEU HA 1 86 GLU H 3.500 . 3.500 3.299 3.181 3.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 83 LEU HA 1 88 TYR QD 3.500 . 3.500 2.980 2.835 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 83 LEU HA 1 88 TYR QE 3.500 . 3.500 3.523 3.336 3.591 0.091 34 0 "[ . 1 . 2 . 3 .]" 1
719 1 83 LEU QD 1 88 TYR HA 5.000 . 5.000 4.571 4.414 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 83 LEU QD 1 88 TYR QB 2.800 . 2.800 2.837 2.410 2.904 0.104 31 0 "[ . 1 . 2 . 3 .]" 1
721 1 83 LEU QD 1 88 TYR QD 2.800 . 2.800 2.122 1.906 2.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 83 LEU QD 1 88 TYR QE 2.800 . 2.800 2.523 2.424 2.800 0.000 20 0 "[ . 1 . 2 . 3 .]" 1
723 1 84 ILE H 1 84 ILE MD 5.000 . 5.000 3.287 2.615 3.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 84 ILE H 1 85 LYS H 2.800 . 2.800 2.818 2.785 2.848 0.048 35 0 "[ . 1 . 2 . 3 .]" 1
725 1 84 ILE MG 1 85 LYS H 5.000 . 5.000 3.205 2.139 3.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 84 ILE MD 1 85 LYS H 5.000 . 5.000 4.776 4.584 5.031 0.031 18 0 "[ . 1 . 2 . 3 .]" 1
727 1 84 ILE HA 1 89 ALA MB 5.000 . 5.000 3.607 3.378 3.832 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 84 ILE MG 1 89 ALA H 5.000 . 5.000 4.537 3.993 5.044 0.044 29 0 "[ . 1 . 2 . 3 .]" 1
729 1 84 ILE MG 1 89 ALA MB 5.000 . 5.000 4.371 3.882 4.880 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 84 ILE MD 1 89 ALA H 5.000 . 5.000 2.871 2.376 4.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 84 ILE MD 1 89 ALA MB 2.300 . 2.300 1.966 1.822 2.364 0.064 14 0 "[ . 1 . 2 . 3 .]" 1
732 1 84 ILE MG 1 90 ASP HA 5.000 . 5.000 4.057 2.993 5.026 0.026 11 0 "[ . 1 . 2 . 3 .]" 1
733 1 84 ILE MD 1 91 LYS H 3.500 . 3.500 2.810 2.110 3.540 0.040 19 0 "[ . 1 . 2 . 3 .]" 1
734 1 84 ILE MD 1 91 LYS HA 3.500 . 3.500 3.409 2.949 3.525 0.025 3 0 "[ . 1 . 2 . 3 .]" 1
735 1 84 ILE MD 1 91 LYS QG 3.500 . 3.500 2.104 1.825 2.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 84 ILE QG 1 94 ILE MD 5.000 . 5.000 4.654 4.093 5.022 0.022 30 0 "[ . 1 . 2 . 3 .]" 1
737 1 84 ILE MD 1 94 ILE MG 5.000 . 5.000 5.051 4.998 5.091 0.091 8 0 "[ . 1 . 2 . 3 .]" 1
738 1 84 ILE MD 1 94 ILE MD 3.500 . 3.500 3.228 3.024 3.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 85 LYS H 1 86 GLU H 2.800 . 2.800 2.505 2.440 2.590 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 85 LYS HA 1 86 GLU H 3.500 . 3.500 3.517 3.451 3.549 0.049 13 0 "[ . 1 . 2 . 3 .]" 1
741 1 85 LYS QB 1 86 GLU H 5.000 . 5.000 3.109 2.946 3.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
742 1 86 GLU H 1 86 GLU HB2 2.800 . 2.800 2.362 2.312 2.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 86 GLU H 1 86 GLU QG 5.000 . 5.000 2.571 2.463 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 86 GLU HA 1 86 GLU HB3 2.800 . 2.800 2.505 2.479 2.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 86 GLU H 1 87 LYS H 5.000 . 5.000 2.711 2.573 2.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 86 GLU HA 1 87 LYS H 3.500 . 3.500 3.140 3.100 3.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
747 1 86 GLU QB 1 87 LYS H 3.500 . 3.500 3.670 3.647 3.697 0.197 18 0 "[ . 1 . 2 . 3 .]" 1
748 1 86 GLU H 1 88 TYR QD 5.000 . 5.000 3.089 2.981 3.226 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 86 GLU H 1 88 TYR QE 5.000 . 5.000 4.008 3.934 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
750 1 86 GLU HA 1 88 TYR QD 5.000 . 5.000 4.255 4.237 4.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 86 GLU QB 1 88 TYR QD 2.800 . 2.800 2.654 2.585 2.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 86 GLU QB 1 88 TYR QE 2.800 . 2.800 1.805 1.792 1.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 86 GLU QG 1 88 TYR QD 5.000 . 5.000 4.419 4.324 4.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 86 GLU QG 1 88 TYR QE 3.500 . 3.500 3.597 3.559 3.645 0.145 22 0 "[ . 1 . 2 . 3 .]" 1
755 1 87 LYS H 1 88 TYR H 5.000 . 5.000 3.012 2.896 3.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 87 LYS H 1 88 TYR QD 2.800 . 2.800 2.944 2.919 2.974 0.174 26 0 "[ . 1 . 2 . 3 .]" 1
757 1 87 LYS H 1 88 TYR QE 5.000 . 5.000 4.483 4.427 4.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 87 LYS HA 1 88 TYR H 2.800 . 2.800 2.456 2.365 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 87 LYS HA 1 88 TYR QD 3.500 . 3.500 3.720 3.698 3.733 0.233 22 0 "[ . 1 . 2 . 3 .]" 1
760 1 87 LYS QB 1 88 TYR H 5.000 . 5.000 4.040 3.938 4.064 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 88 TYR H 1 88 TYR HB2 2.800 . 2.800 2.478 2.450 2.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 88 TYR H 1 88 TYR QD 3.500 . 3.500 2.788 2.637 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
763 1 88 TYR HA 1 88 TYR HB3 2.800 . 2.800 2.595 2.574 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
764 1 88 TYR HA 1 88 TYR QE 5.000 . 5.000 4.541 4.488 4.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 88 TYR H 1 89 ALA H 2.800 . 2.800 2.364 2.343 2.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
766 1 88 TYR HA 1 89 ALA H 3.500 . 3.500 3.601 3.598 3.607 0.107 35 0 "[ . 1 . 2 . 3 .]" 1
767 1 88 TYR QB 1 89 ALA H 5.000 . 5.000 2.136 2.106 2.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 88 TYR QD 1 89 ALA H 5.000 . 5.000 4.117 4.052 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
769 1 89 ALA H 1 90 ASP H 5.000 . 5.000 4.488 4.425 4.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 89 ALA HA 1 90 ASP H 2.800 . 2.800 2.585 2.447 2.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 89 ALA MB 1 90 ASP H 3.500 . 3.500 2.423 2.125 2.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
772 1 89 ALA MB 1 90 ASP HA 5.000 . 5.000 4.111 3.995 4.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 89 ALA MB 1 90 ASP QB 5.000 . 5.000 4.175 3.980 4.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
774 1 90 ASP H 1 90 ASP HB3 2.800 . 2.800 2.667 2.478 2.834 0.034 29 0 "[ . 1 . 2 . 3 .]" 1
775 1 90 ASP H 1 90 ASP HB2 2.800 . 2.800 2.767 2.521 2.825 0.025 32 0 "[ . 1 . 2 . 3 .]" 1
776 1 90 ASP HA 1 90 ASP HB2 2.800 . 2.800 2.567 2.484 2.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 90 ASP HA 1 91 LYS H 2.800 . 2.800 2.264 2.231 2.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 90 ASP HA 1 92 LEU H 5.000 . 5.000 3.849 3.753 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
779 1 90 ASP QB 1 93 LEU QD 5.000 . 5.000 3.039 2.706 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 91 LYS H 1 91 LYS HB2 2.800 . 2.800 2.197 2.157 2.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 91 LYS HA 1 91 LYS HB3 2.800 . 2.800 2.663 2.547 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 91 LYS H 1 92 LEU H 2.800 . 2.800 2.747 2.538 2.814 0.014 14 0 "[ . 1 . 2 . 3 .]" 1
783 1 91 LYS HA 1 92 LEU H 5.000 . 5.000 3.593 3.589 3.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 91 LYS HA 1 94 ILE H 3.500 . 3.500 3.477 3.363 3.549 0.049 21 0 "[ . 1 . 2 . 3 .]" 1
785 1 91 LYS HA 1 94 ILE MG 5.000 . 5.000 3.895 3.651 4.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 91 LYS HA 1 95 ALA MB 5.000 . 5.000 4.358 4.101 4.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
787 1 92 LEU H 1 92 LEU HG 5.000 . 5.000 4.493 4.435 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 92 LEU H 1 92 LEU QD 5.000 . 5.000 3.545 3.282 3.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 92 LEU H 1 93 LEU H 2.800 . 2.800 2.797 2.760 2.829 0.029 15 0 "[ . 1 . 2 . 3 .]" 1
790 1 92 LEU HA 1 93 LEU H 5.000 . 5.000 3.600 3.596 3.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 92 LEU QB 1 93 LEU H 5.000 . 5.000 2.576 2.412 2.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 92 LEU QD 1 93 LEU H 5.000 . 5.000 3.980 3.568 4.159 . 0 0 "[ . 1 . 2 . 3 .]" 1
793 1 92 LEU HA 1 95 ALA H 3.500 . 3.500 3.513 3.428 3.551 0.051 30 0 "[ . 1 . 2 . 3 .]" 1
794 1 92 LEU HA 1 95 ALA MB 3.500 . 3.500 2.419 2.121 2.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 92 LEU QD 1 95 ALA H 5.000 . 5.000 4.699 4.009 4.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 92 LEU QD 1 95 ALA MB 5.000 . 5.000 3.067 2.624 3.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 92 LEU QD 1 96 LYS QB 5.000 . 5.000 4.655 3.279 5.018 0.018 26 0 "[ . 1 . 2 . 3 .]" 1
798 1 92 LEU QB 1 108 LEU QD 2.300 . 2.300 1.808 1.674 1.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
799 1 92 LEU HG 1 108 LEU QD 2.300 . 2.300 2.027 1.789 2.370 0.070 27 0 "[ . 1 . 2 . 3 .]" 1
800 1 93 LEU H 1 93 LEU HB3 2.800 . 2.800 2.530 2.435 2.849 0.049 7 0 "[ . 1 . 2 . 3 .]" 1
801 1 93 LEU H 1 93 LEU HB2 2.800 . 2.800 2.535 2.191 2.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 93 LEU HA 1 93 LEU HB2 2.800 . 2.800 2.507 2.465 2.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
803 1 93 LEU H 1 94 ILE H 2.800 . 2.800 2.707 2.605 2.820 0.020 22 0 "[ . 1 . 2 . 3 .]" 1
804 1 93 LEU HA 1 94 ILE H 5.000 . 5.000 3.615 3.601 3.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
805 1 93 LEU HA 1 96 LYS H 3.500 . 3.500 3.343 3.190 3.529 0.029 10 0 "[ . 1 . 2 . 3 .]" 1
806 1 93 LEU QD 1 96 LYS H 5.000 . 5.000 4.267 4.055 4.479 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 93 LEU HG 1 97 TRP HH2 5.000 . 5.000 3.737 3.470 4.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
808 1 93 LEU QD 1 97 TRP HD1 5.000 . 5.000 5.041 4.775 5.097 0.097 23 0 "[ . 1 . 2 . 3 .]" 1
809 1 93 LEU QD 1 97 TRP HZ2 3.500 . 3.500 3.327 3.050 3.515 0.015 30 0 "[ . 1 . 2 . 3 .]" 1
810 1 93 LEU QD 1 97 TRP HH2 3.500 . 3.500 2.408 2.070 2.870 . 0 0 "[ . 1 . 2 . 3 .]" 1
811 1 93 LEU QD 1 105 LEU QB 5.000 . 5.000 4.275 3.940 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 93 LEU QD 1 105 LEU QD 2.800 . 2.800 2.022 1.700 2.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 93 LEU QD 1 107 CYS H 5.000 . 5.000 3.977 3.788 4.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
814 1 93 LEU QD 1 107 CYS HA 3.500 . 3.500 2.556 2.232 2.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 93 LEU QD 1 107 CYS QB 5.000 . 5.000 3.838 3.673 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 93 LEU HA 1 108 LEU QD 2.800 . 2.800 1.999 1.821 2.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 93 LEU QB 1 108 LEU QD 3.500 . 3.500 2.120 1.904 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 93 LEU HG 1 108 LEU QD 5.000 . 5.000 4.030 3.808 4.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 93 LEU QD 1 108 LEU H 5.000 . 5.000 3.385 3.187 3.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 93 LEU QD 1 108 LEU HA 3.500 . 3.500 3.216 3.061 3.517 0.017 7 0 "[ . 1 . 2 . 3 .]" 1
821 1 93 LEU QD 1 108 LEU QB 3.500 . 3.500 3.559 3.443 3.615 0.115 5 0 "[ . 1 . 2 . 3 .]" 1
822 1 93 LEU QD 1 108 LEU HG 5.000 . 5.000 1.924 1.827 1.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 93 LEU QD 1 108 LEU QD 2.300 . 2.300 2.234 1.830 2.338 0.038 27 0 "[ . 1 . 2 . 3 .]" 1
824 1 93 LEU QD 1 111 ILE MG 5.000 . 5.000 4.894 4.489 5.055 0.055 28 0 "[ . 1 . 2 . 3 .]" 1
825 1 93 LEU QD 1 111 ILE MD 5.000 . 5.000 4.083 3.860 4.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
826 1 94 ILE H 1 94 ILE MD 5.000 . 5.000 3.572 3.515 3.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 94 ILE H 1 95 ALA H 2.800 . 2.800 2.734 2.696 2.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
828 1 94 ILE HA 1 95 ALA H 5.000 . 5.000 3.589 3.574 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 94 ILE HB 1 95 ALA H 5.000 . 5.000 2.808 2.671 2.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
830 1 94 ILE MG 1 95 ALA H 5.000 . 5.000 3.434 3.278 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 94 ILE MD 1 95 ALA H 5.000 . 5.000 4.766 4.645 4.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 94 ILE HA 1 97 TRP H 3.500 . 3.500 3.517 3.413 3.560 0.060 29 0 "[ . 1 . 2 . 3 .]" 1
833 1 94 ILE HA 1 97 TRP HE3 5.000 . 5.000 2.119 1.985 2.467 . 0 0 "[ . 1 . 2 . 3 .]" 1
834 1 94 ILE QG 1 97 TRP HE3 5.000 . 5.000 3.036 2.779 3.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
835 1 94 ILE MG 1 98 ARG QB 5.000 . 5.000 3.999 3.635 4.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
836 1 94 ILE MG 1 98 ARG QG 5.000 . 5.000 3.760 3.394 4.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
837 1 94 ILE MG 1 98 ARG QD 5.000 . 5.000 2.125 1.793 2.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 95 ALA H 1 96 LYS H 2.800 . 2.800 2.677 2.594 2.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 95 ALA HA 1 96 LYS H 5.000 . 5.000 3.606 3.596 3.628 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 95 ALA MB 1 96 LYS H 5.000 . 5.000 2.529 2.379 2.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 95 ALA H 1 97 TRP H 5.000 . 5.000 4.262 4.107 4.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
842 1 95 ALA HA 1 98 ARG H 3.500 . 3.500 3.354 3.216 3.512 0.012 33 0 "[ . 1 . 2 . 3 .]" 1
843 1 95 ALA HA 1 98 ARG QD 3.500 . 3.500 2.726 2.007 3.512 0.012 28 0 "[ . 1 . 2 . 3 .]" 1
844 1 95 ALA MB 1 99 LYS QB 5.000 . 5.000 4.691 4.397 5.008 0.008 21 0 "[ . 1 . 2 . 3 .]" 1
845 1 95 ALA MB 1 99 LYS QE 5.000 . 5.000 3.952 1.975 4.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 95 ALA MB 1 108 LEU QD 5.000 . 5.000 4.197 3.966 4.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 96 LYS H 1 96 LYS HB2 2.800 . 2.800 2.197 2.171 2.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 96 LYS HA 1 96 LYS HB3 2.800 . 2.800 2.681 2.638 2.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 96 LYS HA 1 96 LYS QD 5.000 . 5.000 2.586 1.951 3.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
850 1 96 LYS H 1 97 TRP H 2.800 . 2.800 2.813 2.768 2.849 0.049 18 0 "[ . 1 . 2 . 3 .]" 1
851 1 96 LYS HA 1 97 TRP H 5.000 . 5.000 3.603 3.594 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 96 LYS QB 1 97 TRP H 5.000 . 5.000 2.600 2.458 2.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 96 LYS HA 1 98 ARG H 5.000 . 5.000 4.339 4.008 4.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
854 1 96 LYS HA 1 99 LYS H 3.500 . 3.500 3.426 3.225 3.592 0.092 20 0 "[ . 1 . 2 . 3 .]" 1
855 1 96 LYS HA 1 99 LYS QB 3.500 . 3.500 2.507 2.182 2.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 96 LYS HA 1 99 LYS QG 5.000 . 5.000 3.012 2.468 3.806 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 96 LYS HA 1 108 LEU QD 5.000 . 5.000 4.749 4.443 5.054 0.054 3 0 "[ . 1 . 2 . 3 .]" 1
858 1 96 LYS QB 1 108 LEU QD 2.800 . 2.800 2.847 2.687 2.937 0.137 10 0 "[ . 1 . 2 . 3 .]" 1
859 1 96 LYS QE 1 108 LEU QD 2.800 . 2.800 2.602 1.950 2.881 0.081 28 0 "[ . 1 . 2 . 3 .]" 1
860 1 96 LYS QB 1 111 ILE MD 3.500 . 3.500 3.225 2.985 3.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 96 LYS QG 1 111 ILE MD 2.800 . 2.800 2.882 2.843 2.932 0.132 13 0 "[ . 1 . 2 . 3 .]" 1
862 1 96 LYS QD 1 111 ILE MD 3.500 . 3.500 2.863 2.599 3.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 96 LYS QE 1 111 ILE MD 2.300 . 2.300 2.290 2.107 2.317 0.017 1 0 "[ . 1 . 2 . 3 .]" 1
864 1 97 TRP H 1 97 TRP HB2 2.800 . 2.800 2.189 2.165 2.232 . 0 0 "[ . 1 . 2 . 3 .]" 1
865 1 97 TRP H 1 97 TRP HD1 5.000 . 5.000 4.249 4.090 4.376 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 97 TRP H 1 97 TRP HE3 5.000 . 5.000 3.885 3.690 4.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 97 TRP HA 1 97 TRP HB3 2.800 . 2.800 2.669 2.629 2.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
868 1 97 TRP H 1 98 ARG H 2.800 . 2.800 2.724 2.641 2.805 0.005 20 0 "[ . 1 . 2 . 3 .]" 1
869 1 97 TRP HA 1 98 ARG H 3.500 . 3.500 3.571 3.550 3.583 0.083 35 0 "[ . 1 . 2 . 3 .]" 1
870 1 97 TRP QB 1 98 ARG H 5.000 . 5.000 2.769 2.588 2.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 97 TRP HE3 1 98 ARG QD 5.000 . 5.000 4.943 4.515 5.038 0.038 10 0 "[ . 1 . 2 . 3 .]" 1
872 1 97 TRP H 1 99 LYS H 5.000 . 5.000 4.182 4.043 4.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
873 1 98 ARG H 1 98 ARG HB2 2.800 . 2.800 2.212 2.148 2.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 98 ARG H 1 98 ARG QD 5.000 . 5.000 2.911 2.130 3.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 98 ARG HA 1 98 ARG HB3 2.800 . 2.800 2.629 2.530 2.688 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 98 ARG H 1 99 LYS H 2.800 . 2.800 2.557 2.429 2.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 98 ARG HA 1 99 LYS H 3.500 . 3.500 3.535 3.149 3.580 0.080 17 0 "[ . 1 . 2 . 3 .]" 1
878 1 99 LYS H 1 99 LYS HB2 2.800 . 2.800 2.189 2.166 2.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 99 LYS H 1 99 LYS QG 5.000 . 5.000 2.737 2.455 3.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
880 1 99 LYS HA 1 99 LYS HB3 2.800 . 2.800 2.688 2.643 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
881 1 99 LYS H 1 100 THR H 5.000 . 5.000 4.640 3.072 4.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 99 LYS HA 1 100 THR H 3.500 . 3.500 2.681 2.579 3.594 0.094 20 0 "[ . 1 . 2 . 3 .]" 1
883 1 99 LYS QB 1 100 THR H 5.000 . 5.000 2.182 2.084 2.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 99 LYS QB 1 102 TYR H 5.000 . 5.000 4.155 3.718 4.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 99 LYS QB 1 102 TYR QD 2.800 . 2.800 1.834 1.805 1.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 99 LYS QB 1 102 TYR QE 2.800 . 2.800 2.354 2.132 2.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 99 LYS QG 1 102 TYR QD 3.500 . 3.500 3.561 3.456 3.637 0.137 20 0 "[ . 1 . 2 . 3 .]" 1
888 1 99 LYS QG 1 102 TYR QE 2.800 . 2.800 2.864 2.832 2.901 0.101 25 0 "[ . 1 . 2 . 3 .]" 1
889 1 100 THR H 1 101 GLY H 5.000 . 5.000 4.545 4.068 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 100 THR HA 1 101 GLY H 3.500 . 3.500 2.279 2.238 2.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
891 1 100 THR HA 1 101 GLY QA 5.000 . 5.000 4.041 4.012 4.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 100 THR HB 1 101 GLY H 5.000 . 5.000 3.811 3.142 4.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 100 THR MG 1 101 GLY H 5.000 . 5.000 3.012 2.370 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 100 THR MG 1 101 GLY QA 5.000 . 5.000 3.910 3.160 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
895 1 100 THR HA 1 102 TYR H 3.500 . 3.500 3.521 3.359 3.598 0.098 20 0 "[ . 1 . 2 . 3 .]" 1
896 1 100 THR MG 1 102 TYR H 5.000 . 5.000 4.752 4.468 5.046 0.046 15 0 "[ . 1 . 2 . 3 .]" 1
897 1 101 GLY H 1 102 TYR H 2.800 . 2.800 2.555 2.344 2.808 0.008 14 0 "[ . 1 . 2 . 3 .]" 1
898 1 101 GLY QA 1 102 TYR H 3.500 . 3.500 2.963 2.880 3.013 . 0 0 "[ . 1 . 2 . 3 .]" 1
899 1 101 GLY H 1 103 GLU H 5.000 . 5.000 4.563 4.051 5.026 0.026 7 0 "[ . 1 . 2 . 3 .]" 1
900 1 102 TYR H 1 102 TYR HB2 2.800 . 2.800 2.360 2.270 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
901 1 102 TYR H 1 102 TYR QD 5.000 . 5.000 3.086 2.742 3.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
902 1 102 TYR H 1 102 TYR QE 5.000 . 5.000 4.856 4.471 5.083 0.083 26 0 "[ . 1 . 2 . 3 .]" 1
903 1 102 TYR HA 1 102 TYR HB3 2.800 . 2.800 2.545 2.465 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
904 1 102 TYR H 1 103 GLU H 3.500 . 3.500 3.472 3.092 3.541 0.041 24 0 "[ . 1 . 2 . 3 .]" 1
905 1 102 TYR HA 1 103 GLU H 2.800 . 2.800 2.657 2.546 2.832 0.032 35 0 "[ . 1 . 2 . 3 .]" 1
906 1 102 TYR QB 1 103 GLU H 5.000 . 5.000 3.942 3.900 3.956 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 102 TYR QB 1 105 LEU QD 3.500 . 3.500 2.128 1.794 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
908 1 102 TYR QD 1 105 LEU QD 3.500 . 3.500 2.711 1.966 3.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 102 TYR QE 1 105 LEU QD 5.000 . 5.000 3.944 3.496 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
910 1 102 TYR QB 1 111 ILE MD 5.000 . 5.000 3.948 3.140 4.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 102 TYR QD 1 111 ILE MG 5.000 . 5.000 4.543 4.169 4.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 102 TYR QD 1 111 ILE MD 2.800 . 2.800 2.592 2.149 2.843 0.043 20 0 "[ . 1 . 2 . 3 .]" 1
913 1 102 TYR QE 1 111 ILE MG 5.000 . 5.000 5.028 5.009 5.053 0.053 34 0 "[ . 1 . 2 . 3 .]" 1
914 1 102 TYR QE 1 111 ILE MD 2.800 . 2.800 2.218 1.966 2.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 103 GLU HA 1 104 LYS H 5.000 . 5.000 3.595 3.586 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 103 GLU QB 1 104 LYS H 2.800 . 2.800 2.667 2.560 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
917 1 104 LYS H 1 104 LYS HB2 2.800 . 2.800 2.377 2.293 2.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 104 LYS HA 1 104 LYS HB3 2.800 . 2.800 2.590 2.495 2.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 104 LYS H 1 105 LEU H 5.000 . 5.000 3.723 3.293 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 104 LYS HA 1 105 LEU H 3.500 . 3.500 2.484 2.254 2.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
921 1 104 LYS QB 1 155 CYS HA 3.500 . 3.500 3.342 2.993 3.552 0.052 25 0 "[ . 1 . 2 . 3 .]" 1
922 1 104 LYS QG 1 155 CYS HA 5.000 . 5.000 4.978 4.672 5.045 0.045 14 0 "[ . 1 . 2 . 3 .]" 1
923 1 104 LYS QD 1 155 CYS HA 3.500 . 3.500 3.427 2.599 3.513 0.013 15 0 "[ . 1 . 2 . 3 .]" 1
924 1 104 LYS QE 1 155 CYS HA 3.500 . 3.500 3.193 2.870 3.540 0.040 1 0 "[ . 1 . 2 . 3 .]" 1
925 1 104 LYS QB 1 157 SER HA 2.800 . 2.800 2.755 2.450 2.849 0.049 5 0 "[ . 1 . 2 . 3 .]" 1
926 1 104 LYS QG 1 157 SER HA 3.500 . 3.500 2.296 1.975 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 104 LYS QG 1 157 SER QB 3.500 . 3.500 3.517 3.266 3.558 0.058 14 0 "[ . 1 . 2 . 3 .]" 1
928 1 104 LYS QE 1 157 SER HA 3.500 . 3.500 3.449 3.300 3.564 0.064 1 0 "[ . 1 . 2 . 3 .]" 1
929 1 105 LEU H 1 105 LEU QD 5.000 . 5.000 3.384 3.023 3.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
930 1 105 LEU H 1 106 CYS H 5.000 . 5.000 4.495 4.244 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
931 1 105 LEU HA 1 106 CYS H 2.800 . 2.800 2.325 2.257 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
932 1 105 LEU QD 1 106 CYS H 3.500 . 3.500 2.570 2.054 3.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 105 LEU QD 1 107 CYS H 2.800 . 2.800 2.450 2.074 2.848 0.048 10 0 "[ . 1 . 2 . 3 .]" 1
934 1 105 LEU QD 1 108 LEU HA 5.000 . 5.000 3.585 3.000 4.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
935 1 105 LEU QD 1 108 LEU QD 3.500 . 3.500 3.223 2.812 3.551 0.051 27 0 "[ . 1 . 2 . 3 .]" 1
936 1 105 LEU QB 1 111 ILE MG 3.500 . 3.500 2.592 1.937 3.538 0.038 1 0 "[ . 1 . 2 . 3 .]" 1
937 1 105 LEU QB 1 111 ILE MD 2.800 . 2.800 2.300 1.851 2.947 0.147 3 0 "[ . 1 . 2 . 3 .]" 1
938 1 105 LEU QD 1 111 ILE MG 2.800 . 2.800 2.557 1.850 2.905 0.105 33 0 "[ . 1 . 2 . 3 .]" 1
939 1 105 LEU QD 1 111 ILE MD 2.800 . 2.800 2.097 1.660 2.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
940 1 106 CYS H 1 106 CYS HB3 2.800 . 2.800 2.953 2.889 3.011 0.211 24 0 "[ . 1 . 2 . 3 .]" 1
941 1 106 CYS HA 1 106 CYS HB3 2.800 . 2.800 2.417 2.403 2.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 106 CYS HA 1 106 CYS HB2 2.800 . 2.800 2.471 2.456 2.481 . 0 0 "[ . 1 . 2 . 3 .]" 1
943 1 106 CYS H 1 107 CYS H 2.800 . 2.800 2.281 2.239 2.315 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 106 CYS HA 1 107 CYS H 5.000 . 5.000 3.605 3.574 3.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
945 1 106 CYS HB3 1 107 CYS H 5.000 . 5.000 4.163 4.096 4.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 106 CYS HB2 1 107 CYS H 5.000 . 5.000 3.915 3.811 4.003 . 0 0 "[ . 1 . 2 . 3 .]" 1
947 1 107 CYS H 1 107 CYS QB 2.800 . 2.800 2.834 2.818 2.851 0.051 34 0 "[ . 1 . 2 . 3 .]" 1
948 1 107 CYS HA 1 107 CYS QB 2.800 . 2.800 2.298 2.289 2.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
949 1 107 CYS H 1 108 LEU H 5.000 . 5.000 4.407 4.388 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 107 CYS QB 1 108 LEU H 2.800 . 2.800 2.112 2.077 2.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
951 1 107 CYS QB 1 109 ARG H 3.500 . 3.500 2.926 2.861 3.080 . 0 0 "[ . 1 . 2 . 3 .]" 1
952 1 107 CYS QB 1 110 CYS QB 2.800 . 2.800 1.696 1.656 1.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
953 1 108 LEU H 1 108 LEU HB2 2.800 . 2.800 2.211 2.171 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
954 1 108 LEU H 1 108 LEU HG 5.000 . 5.000 3.036 2.483 3.202 . 0 0 "[ . 1 . 2 . 3 .]" 1
955 1 108 LEU H 1 108 LEU QD 5.000 . 5.000 3.474 3.242 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
956 1 108 LEU HA 1 108 LEU HB3 2.800 . 2.800 2.646 2.500 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 108 LEU H 1 109 ARG H 2.800 . 2.800 2.307 2.267 2.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
958 1 108 LEU HA 1 109 ARG H 5.000 . 5.000 3.604 3.596 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 108 LEU QB 1 109 ARG H 3.500 . 3.500 2.698 2.518 2.785 . 0 0 "[ . 1 . 2 . 3 .]" 1
960 1 108 LEU QD 1 109 ARG H 5.000 . 5.000 4.158 4.064 4.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 108 LEU H 1 110 CYS H 5.000 . 5.000 3.875 3.338 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
962 1 108 LEU HA 1 111 ILE QG 5.000 . 5.000 3.306 2.968 3.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 108 LEU HA 1 111 ILE MD 3.500 . 3.500 3.476 3.221 3.575 0.075 9 0 "[ . 1 . 2 . 3 .]" 1
964 1 108 LEU QD 1 111 ILE MD 3.500 . 3.500 3.530 3.351 3.602 0.102 4 0 "[ . 1 . 2 . 3 .]" 1
965 1 109 ARG H 1 109 ARG HB3 2.800 . 2.800 2.661 2.488 2.804 0.004 21 0 "[ . 1 . 2 . 3 .]" 1
966 1 109 ARG H 1 109 ARG HB2 2.800 . 2.800 2.595 2.461 2.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
967 1 109 ARG HA 1 109 ARG HB2 2.800 . 2.800 2.595 2.502 2.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
968 1 109 ARG HA 1 109 ARG QD 5.000 . 5.000 3.665 2.077 4.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 109 ARG H 1 110 CYS H 2.800 . 2.800 2.819 2.494 2.875 0.075 5 0 "[ . 1 . 2 . 3 .]" 1
970 1 109 ARG HA 1 110 CYS H 5.000 . 5.000 3.026 2.927 3.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 109 ARG QB 1 110 CYS H 5.000 . 5.000 3.784 3.368 3.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 109 ARG QB 1 110 CYS HA 5.000 . 5.000 4.534 4.395 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 109 ARG H 1 111 ILE H 5.000 . 5.000 4.829 4.506 4.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 109 ARG HA 1 112 GLN H 5.000 . 5.000 4.432 3.098 4.735 . 0 0 "[ . 1 . 2 . 3 .]" 1
975 1 109 ARG HA 1 112 GLN QG 5.000 . 5.000 4.209 2.463 5.022 0.022 23 0 "[ . 1 . 2 . 3 .]" 1
976 1 110 CYS H 1 110 CYS HB3 2.800 . 2.800 2.731 2.714 2.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 110 CYS H 1 110 CYS HB2 2.800 . 2.800 2.515 2.169 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 110 CYS HA 1 110 CYS HB2 2.800 . 2.800 2.661 2.654 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 110 CYS H 1 111 ILE H 2.800 . 2.800 2.253 2.214 2.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
980 1 110 CYS H 1 111 ILE QG 3.500 . 3.500 2.939 2.818 3.534 0.034 23 0 "[ . 1 . 2 . 3 .]" 1
981 1 110 CYS H 1 111 ILE MG 5.000 . 5.000 3.560 3.276 4.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 110 CYS HA 1 111 ILE H 5.000 . 5.000 3.322 3.219 3.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 110 CYS H 1 112 GLN H 5.000 . 5.000 4.211 2.682 4.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
984 1 110 CYS HA 1 112 GLN H 5.000 . 5.000 4.480 4.300 4.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
985 1 110 CYS HA 1 122 CYS H 5.000 . 5.000 3.998 3.737 4.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 110 CYS HA 1 122 CYS HB3 3.500 . 3.500 3.013 2.891 3.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 110 CYS HA 1 122 CYS HB2 3.500 . 3.500 2.048 1.974 2.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
988 1 110 CYS HB3 1 122 CYS HB3 5.000 . 5.000 4.442 4.334 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 110 CYS HB3 1 122 CYS HB2 5.000 . 5.000 4.576 4.502 4.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 110 CYS HB2 1 122 CYS HB3 5.000 . 5.000 5.079 5.030 5.145 0.145 23 0 "[ . 1 . 2 . 3 .]" 1
991 1 110 CYS HB2 1 122 CYS HB2 5.000 . 5.000 4.581 4.517 4.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 110 CYS HA 1 149 HIS HD2 2.800 . 2.800 2.845 2.825 2.862 0.062 8 0 "[ . 1 . 2 . 3 .]" 1
993 1 110 CYS HB2 1 149 HIS HD2 5.000 . 5.000 4.539 4.441 4.709 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 111 ILE H 1 111 ILE MD 5.000 . 5.000 3.878 3.749 3.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 111 ILE H 1 112 GLN H 3.500 . 3.500 2.362 2.286 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
996 1 111 ILE HA 1 112 GLN H 3.500 . 3.500 3.080 2.971 3.554 0.054 10 0 "[ . 1 . 2 . 3 .]" 1
997 1 111 ILE QG 1 112 GLN H 5.000 . 5.000 3.318 2.122 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 111 ILE MG 1 112 GLN H 5.000 . 5.000 4.379 3.988 4.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 111 ILE MD 1 112 GLN H 5.000 . 5.000 4.535 3.827 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 111 ILE H 1 121 THR MG 5.000 . 5.000 4.014 3.831 4.373 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 111 ILE HA 1 121 THR MG 2.800 . 2.800 2.862 2.799 2.938 0.138 34 0 "[ . 1 . 2 . 3 .]" 1
1002 1 111 ILE HB 1 121 THR MG 5.000 . 5.000 4.454 4.300 4.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
1003 1 111 ILE QG 1 121 THR MG 5.000 . 5.000 4.575 4.085 4.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
1004 1 111 ILE MG 1 121 THR MG 5.000 . 5.000 4.369 4.258 4.502 . 0 0 "[ . 1 . 2 . 3 .]" 1
1005 1 111 ILE MD 1 121 THR MG 5.000 . 5.000 4.995 4.766 5.064 0.064 3 0 "[ . 1 . 2 . 3 .]" 1
1006 1 112 GLN H 1 112 GLN QG 5.000 . 5.000 3.441 2.092 4.186 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 112 GLN H 1 113 LYS H 5.000 . 5.000 4.346 3.793 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 112 GLN HA 1 113 LYS H 2.800 . 2.800 2.356 2.242 2.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 112 GLN QG 1 113 LYS H 5.000 . 5.000 3.618 2.052 4.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1010 1 113 LYS QB 1 114 ASN H 2.800 . 2.800 2.438 2.137 2.851 0.051 3 0 "[ . 1 . 2 . 3 .]" 1
1011 1 113 LYS HA 1 121 THR MG 3.500 . 3.500 2.885 2.010 3.545 0.045 12 0 "[ . 1 . 2 . 3 .]" 1
1012 1 113 LYS QB 1 121 THR MG 2.800 . 2.800 2.217 1.936 2.835 0.035 34 0 "[ . 1 . 2 . 3 .]" 1
1013 1 113 LYS QE 1 121 THR MG 2.800 . 2.800 2.664 2.132 2.841 0.041 7 0 "[ . 1 . 2 . 3 .]" 1
1014 1 114 ASN QB 1 115 GLU H 3.500 . 3.500 2.532 2.099 3.730 0.230 35 0 "[ . 1 . 2 . 3 .]" 1
1015 1 115 GLU HA 1 116 THR H 3.500 . 3.500 2.708 2.249 3.610 0.110 33 0 "[ . 1 . 2 . 3 .]" 1
1016 1 117 ASN QB 1 118 ASN HA 5.000 . 5.000 4.335 4.119 4.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 118 ASN HA 1 119 GLY H 2.800 . 2.800 2.525 2.254 2.810 0.010 25 0 "[ . 1 . 2 . 3 .]" 1
1018 1 119 GLY QA 1 120 SER H 2.800 . 2.800 2.326 2.201 2.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 120 SER H 1 120 SER HB2 2.800 . 2.800 2.583 2.277 2.814 0.014 22 0 "[ . 1 . 2 . 3 .]" 1
1020 1 120 SER HA 1 120 SER HB3 2.800 . 2.800 2.537 2.361 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 120 SER HA 1 121 THR H 3.500 . 3.500 2.516 2.246 3.610 0.110 20 0 "[ . 1 . 2 . 3 .]" 1
1022 1 120 SER QB 1 121 THR H 5.000 . 5.000 3.178 2.105 3.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
1023 1 121 THR HA 1 122 CYS H 2.800 . 2.800 2.523 2.402 2.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 121 THR HB 1 122 CYS H 3.500 . 3.500 3.260 2.782 3.536 0.036 22 0 "[ . 1 . 2 . 3 .]" 1
1025 1 121 THR MG 1 122 CYS H 5.000 . 5.000 2.120 2.042 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 121 THR MG 1 122 CYS HA 5.000 . 5.000 4.429 4.281 4.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 122 CYS H 1 122 CYS HB3 2.800 . 2.800 2.536 2.489 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 122 CYS H 1 122 CYS HB2 2.800 . 2.800 2.658 2.371 2.833 0.033 28 0 "[ . 1 . 2 . 3 .]" 1
1029 1 122 CYS HA 1 122 CYS HB2 2.800 . 2.800 2.507 2.489 2.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 122 CYS H 1 123 ILE H 5.000 . 5.000 4.660 4.573 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
1031 1 122 CYS HA 1 123 ILE H 2.800 . 2.800 2.396 2.379 2.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 122 CYS HA 1 123 ILE HB 5.000 . 5.000 4.462 4.411 4.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 122 CYS QB 1 123 ILE H 3.500 . 3.500 3.524 3.495 3.548 0.048 22 0 "[ . 1 . 2 . 3 .]" 1
1034 1 122 CYS QB 1 124 CYS H 5.000 . 5.000 3.605 3.510 3.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 122 CYS HA 1 149 HIS HD2 3.500 . 3.500 3.601 3.569 3.657 0.157 17 0 "[ . 1 . 2 . 3 .]" 1
1036 1 122 CYS QB 1 149 HIS HD2 5.000 . 5.000 2.429 2.284 2.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 123 ILE H 1 123 ILE MD 5.000 . 5.000 4.196 4.130 4.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
1038 1 123 ILE H 1 124 CYS H 2.800 . 2.800 2.669 2.609 2.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1039 1 123 ILE HA 1 124 CYS H 5.000 . 5.000 3.589 3.578 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
1040 1 123 ILE HB 1 124 CYS H 5.000 . 5.000 3.979 3.898 4.139 . 0 0 "[ . 1 . 2 . 3 .]" 1
1041 1 123 ILE QG 1 124 CYS H 5.000 . 5.000 4.406 3.834 4.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1042 1 123 ILE H 1 125 ARG H 5.000 . 5.000 4.416 4.348 4.485 . 0 0 "[ . 1 . 2 . 3 .]" 1
1043 1 123 ILE HA 1 125 ARG H 5.000 . 5.000 4.101 3.978 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 123 ILE HA 1 126 VAL H 3.500 . 3.500 3.400 3.156 3.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 123 ILE MG 1 126 VAL HB 5.000 . 5.000 4.988 4.637 5.067 0.067 14 0 "[ . 1 . 2 . 3 .]" 1
1046 1 123 ILE QG 1 126 VAL QG 3.500 . 3.500 3.410 2.469 3.546 0.046 26 0 "[ . 1 . 2 . 3 .]" 1
1047 1 123 ILE MG 1 126 VAL QG 5.000 . 5.000 4.685 4.219 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
1048 1 123 ILE MD 1 126 VAL HB 5.000 . 5.000 2.869 2.591 4.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 123 ILE MD 1 126 VAL QG 3.500 . 3.500 3.367 3.250 3.700 0.200 35 0 "[ . 1 . 2 . 3 .]" 1
1050 1 123 ILE MG 1 144 PHE HA 5.000 . 5.000 5.061 5.016 5.173 0.173 21 0 "[ . 1 . 2 . 3 .]" 1
1051 1 123 ILE MG 1 144 PHE QB 5.000 . 5.000 3.867 3.628 4.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
1052 1 123 ILE MG 1 144 PHE QD 2.800 . 2.800 2.683 2.585 2.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
1053 1 123 ILE MG 1 144 PHE QE 2.800 . 2.800 2.148 1.799 2.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 123 ILE MG 1 144 PHE HZ 2.800 . 2.800 2.758 2.683 2.853 0.053 21 0 "[ . 1 . 2 . 3 .]" 1
1055 1 123 ILE MD 1 144 PHE HA 5.000 . 5.000 4.126 3.916 4.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
1056 1 123 ILE MD 1 144 PHE QB 3.500 . 3.500 2.170 1.972 3.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 123 ILE MD 1 144 PHE QD 2.800 . 2.800 2.416 1.945 2.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
1058 1 123 ILE MD 1 144 PHE QE 2.800 . 2.800 2.935 2.851 2.975 0.175 19 0 "[ . 1 . 2 . 3 .]" 1
1059 1 123 ILE MG 1 147 CYS H 5.000 . 5.000 4.362 4.254 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 123 ILE MG 1 147 CYS HA 5.000 . 5.000 3.112 2.910 3.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 123 ILE MG 1 147 CYS HB3 2.800 . 2.800 2.455 2.316 2.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 123 ILE MG 1 147 CYS HB2 2.800 . 2.800 2.843 2.664 2.939 0.139 21 0 "[ . 1 . 2 . 3 .]" 1
1063 1 124 CYS H 1 124 CYS HB3 2.800 . 2.800 2.304 2.259 2.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 124 CYS HA 1 124 CYS HB3 2.800 . 2.800 2.567 2.542 2.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
1065 1 124 CYS HA 1 124 CYS HB2 2.800 . 2.800 2.375 2.358 2.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
1066 1 124 CYS H 1 125 ARG H 3.500 . 3.500 2.876 2.789 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
1067 1 124 CYS H 1 126 VAL H 5.000 . 5.000 4.360 4.224 4.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 124 CYS HA 1 126 VAL H 5.000 . 5.000 4.028 3.833 4.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
1069 1 124 CYS H 1 144 PHE QE 5.000 . 5.000 3.887 3.818 3.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 124 CYS H 1 144 PHE HZ 5.000 . 5.000 3.407 3.341 3.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
1071 1 124 CYS HA 1 144 PHE QD 3.500 . 3.500 3.650 3.579 3.691 0.191 34 0 "[ . 1 . 2 . 3 .]" 1
1072 1 124 CYS HA 1 144 PHE QE 2.800 . 2.800 2.067 1.912 2.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 124 CYS HA 1 144 PHE HZ 5.000 . 5.000 2.802 2.637 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 124 CYS HB3 1 144 PHE QE 3.500 . 3.500 3.317 3.186 3.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
1075 1 124 CYS HB2 1 144 PHE QE 3.500 . 3.500 3.010 2.741 3.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
1076 1 124 CYS HB3 1 144 PHE HZ 2.800 . 2.800 2.173 2.074 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
1077 1 124 CYS HB2 1 144 PHE HZ 2.800 . 2.800 2.957 2.937 3.022 0.222 35 0 "[ . 1 . 2 . 3 .]" 1
1078 1 124 CYS H 1 147 CYS H 5.000 . 5.000 4.859 4.714 4.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
1079 1 124 CYS H 1 147 CYS HA 5.000 . 5.000 4.715 4.572 4.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
1080 1 124 CYS H 1 147 CYS QB 5.000 . 5.000 2.452 2.376 2.543 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 124 CYS HA 1 147 CYS H 5.000 . 5.000 4.809 4.462 5.001 0.001 4 0 "[ . 1 . 2 . 3 .]" 1
1082 1 124 CYS QB 1 147 CYS H 5.000 . 5.000 2.844 2.667 2.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
1083 1 124 CYS QB 1 147 CYS HA 5.000 . 5.000 4.063 4.011 4.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
1084 1 124 CYS HB3 1 147 CYS QB 3.500 . 3.500 1.921 1.868 1.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
1085 1 124 CYS QB 1 152 CYS H 5.000 . 5.000 4.896 4.735 4.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 124 CYS QB 1 152 CYS QB 5.000 . 5.000 3.131 3.010 3.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 124 CYS HA 1 154 GLY H 5.000 . 5.000 4.239 3.982 4.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 124 CYS HA 1 155 CYS H 5.000 . 5.000 3.525 3.355 3.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
1089 1 124 CYS QB 1 155 CYS H 5.000 . 5.000 2.461 2.283 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1090 1 125 ARG H 1 126 VAL H 2.800 . 2.800 2.756 2.686 2.807 0.007 27 0 "[ . 1 . 2 . 3 .]" 1
1091 1 125 ARG HA 1 127 PRO QD 5.000 . 5.000 4.999 4.783 5.060 0.060 20 0 "[ . 1 . 2 . 3 .]" 1
1092 1 125 ARG QB 1 127 PRO QD 5.000 . 5.000 5.033 4.904 5.076 0.076 34 0 "[ . 1 . 2 . 3 .]" 1
1093 1 126 VAL HA 1 127 PRO QD 5.000 . 5.000 1.971 1.941 1.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
1094 1 126 VAL QG 1 127 PRO QD 5.000 . 5.000 2.290 2.089 2.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
1095 1 126 VAL HA 1 130 GLN QB 5.000 . 5.000 3.904 3.518 4.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 126 VAL HA 1 130 GLN QG 5.000 . 5.000 4.548 3.765 5.017 0.017 27 0 "[ . 1 . 2 . 3 .]" 1
1097 1 126 VAL QG 1 130 GLN H 5.000 . 5.000 3.846 3.651 4.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 126 VAL QG 1 130 GLN QB 2.800 . 2.800 1.996 1.828 2.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
1099 1 126 VAL QG 1 130 GLN QG 2.800 . 2.800 2.429 1.881 2.810 0.010 25 0 "[ . 1 . 2 . 3 .]" 1
1100 1 126 VAL H 1 131 LEU QD 5.000 . 5.000 4.184 3.795 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
1101 1 126 VAL QG 1 131 LEU QB 3.500 . 3.500 3.501 3.423 3.547 0.047 35 0 "[ . 1 . 2 . 3 .]" 1
1102 1 126 VAL QG 1 131 LEU QD 3.500 . 3.500 2.292 1.867 2.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 126 VAL QG 1 156 ALA MB 5.000 . 5.000 4.259 3.926 4.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
1104 1 127 PRO HA 1 128 ARG H 3.500 . 3.500 2.578 2.499 2.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 127 PRO QB 1 130 GLN H 5.000 . 5.000 3.215 2.941 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 127 PRO QD 1 130 GLN QB 5.000 . 5.000 2.626 2.340 2.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 127 PRO HA 1 156 ALA HA 5.000 . 5.000 4.872 4.560 5.015 0.015 27 0 "[ . 1 . 2 . 3 .]" 1
1108 1 127 PRO HA 1 156 ALA MB 2.800 . 2.800 2.333 2.036 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
1109 1 127 PRO QB 1 156 ALA MB 2.800 . 2.800 1.877 1.818 1.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
1110 1 127 PRO QG 1 156 ALA MB 2.800 . 2.800 2.683 2.508 2.835 0.035 30 0 "[ . 1 . 2 . 3 .]" 1
1111 1 127 PRO QD 1 156 ALA HA 3.500 . 3.500 3.548 3.520 3.596 0.096 21 0 "[ . 1 . 2 . 3 .]" 1
1112 1 127 PRO QD 1 156 ALA MB 2.800 . 2.800 2.053 1.832 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 128 ARG HA 1 128 ARG QD 5.000 . 5.000 2.315 1.976 2.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
1114 1 128 ARG H 1 129 ALA H 2.800 . 2.800 2.601 2.588 2.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
1115 1 128 ARG HA 1 129 ALA H 5.000 . 5.000 3.593 3.590 3.596 . 0 0 "[ . 1 . 2 . 3 .]" 1
1116 1 128 ARG H 1 130 GLN H 5.000 . 5.000 4.302 4.214 4.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
1117 1 128 ARG HA 1 130 GLN H 5.000 . 5.000 4.379 4.318 4.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 128 ARG HA 1 131 LEU H 3.500 . 3.500 3.322 3.252 3.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 128 ARG HA 1 131 LEU QD 3.500 . 3.500 2.386 2.002 3.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
1120 1 128 ARG QD 1 131 LEU QD 3.500 . 3.500 3.064 2.620 3.506 0.006 17 0 "[ . 1 . 2 . 3 .]" 1
1121 1 128 ARG HA 1 132 GLU H 5.000 . 5.000 3.915 3.746 4.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 128 ARG QD 1 132 GLU QG 5.000 . 5.000 3.181 1.912 3.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 128 ARG QD 1 142 VAL QG 3.500 . 3.500 3.425 3.137 3.524 0.024 14 0 "[ . 1 . 2 . 3 .]" 1
1124 1 128 ARG H 1 156 ALA MB 5.000 . 5.000 4.132 3.892 4.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
1125 1 129 ALA H 1 130 GLN H 2.800 . 2.800 2.824 2.798 2.837 0.037 12 0 "[ . 1 . 2 . 3 .]" 1
1126 1 129 ALA HA 1 130 GLN H 5.000 . 5.000 3.595 3.591 3.608 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 129 ALA MB 1 130 GLN H 5.000 . 5.000 2.527 2.371 2.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 129 ALA H 1 131 LEU H 5.000 . 5.000 4.257 4.173 4.303 . 0 0 "[ . 1 . 2 . 3 .]" 1
1129 1 129 ALA HA 1 131 LEU H 5.000 . 5.000 4.587 4.497 4.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 129 ALA MB 1 131 LEU H 5.000 . 5.000 4.556 4.473 4.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 129 ALA HA 1 132 GLU H 3.500 . 3.500 3.540 3.519 3.553 0.053 22 0 "[ . 1 . 2 . 3 .]" 1
1132 1 129 ALA HA 1 132 GLU QB 3.500 . 3.500 2.616 2.456 2.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 129 ALA HA 1 132 GLU QG 5.000 . 5.000 3.393 2.910 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 129 ALA MB 1 132 GLU H 5.000 . 5.000 4.661 4.628 4.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 129 ALA MB 1 132 GLU QB 5.000 . 5.000 4.030 3.960 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
1136 1 129 ALA MB 1 132 GLU QG 5.000 . 5.000 4.725 4.383 4.992 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 129 ALA HA 1 133 GLU H 5.000 . 5.000 4.396 4.051 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
1138 1 129 ALA MB 1 133 GLU H 5.000 . 5.000 4.918 4.672 5.014 0.014 12 0 "[ . 1 . 2 . 3 .]" 1
1139 1 130 GLN H 1 130 GLN QG 5.000 . 5.000 3.956 2.140 4.069 . 0 0 "[ . 1 . 2 . 3 .]" 1
1140 1 130 GLN H 1 131 LEU H 2.800 . 2.800 2.653 2.614 2.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
1141 1 130 GLN HA 1 131 LEU H 5.000 . 5.000 3.595 3.594 3.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
1142 1 130 GLN QB 1 131 LEU H 5.000 . 5.000 2.518 2.493 2.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 130 GLN QG 1 131 LEU H 5.000 . 5.000 3.849 3.581 4.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 130 GLN QG 1 131 LEU QD 5.000 . 5.000 4.511 3.884 5.009 0.009 23 0 "[ . 1 . 2 . 3 .]" 1
1145 1 130 GLN H 1 132 GLU H 5.000 . 5.000 4.113 4.048 4.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
1146 1 130 GLN HA 1 132 GLU H 5.000 . 5.000 4.452 4.399 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
1147 1 130 GLN HA 1 133 GLU H 3.500 . 3.500 3.535 3.516 3.552 0.052 23 0 "[ . 1 . 2 . 3 .]" 1
1148 1 130 GLN HA 1 134 GLU H 5.000 . 5.000 4.805 4.298 5.011 0.011 28 0 "[ . 1 . 2 . 3 .]" 1
1149 1 130 GLN QB 1 156 ALA MB 5.000 . 5.000 4.940 4.699 5.028 0.028 2 0 "[ . 1 . 2 . 3 .]" 1
1150 1 131 LEU H 1 131 LEU HB2 2.800 . 2.800 2.214 2.158 2.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
1151 1 131 LEU H 1 131 LEU QD 5.000 . 5.000 3.061 2.929 3.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
1152 1 131 LEU HA 1 131 LEU HB3 2.800 . 2.800 2.642 2.530 2.685 . 0 0 "[ . 1 . 2 . 3 .]" 1
1153 1 131 LEU H 1 132 GLU H 2.800 . 2.800 2.709 2.661 2.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
1154 1 131 LEU HA 1 132 GLU H 5.000 . 5.000 3.598 3.596 3.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 131 LEU QD 1 132 GLU H 5.000 . 5.000 4.083 4.034 4.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 131 LEU H 1 133 GLU H 5.000 . 5.000 4.271 4.190 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 131 LEU HA 1 133 GLU H 5.000 . 5.000 4.368 4.292 4.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
1158 1 131 LEU HA 1 134 GLU H 3.500 . 3.500 3.482 3.382 3.513 0.013 25 0 "[ . 1 . 2 . 3 .]" 1
1159 1 131 LEU QD 1 134 GLU H 5.000 . 5.000 4.845 4.468 4.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
1160 1 131 LEU QD 1 134 GLU QG 5.000 . 5.000 4.292 3.233 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
1161 1 131 LEU QB 1 142 VAL QG 5.000 . 5.000 1.989 1.754 2.381 . 0 0 "[ . 1 . 2 . 3 .]" 1
1162 1 131 LEU QD 1 144 PHE QD 3.500 . 3.500 3.094 2.657 3.506 0.006 21 0 "[ . 1 . 2 . 3 .]" 1
1163 1 132 GLU H 1 132 GLU HB2 2.800 . 2.800 2.234 2.170 2.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
1164 1 132 GLU H 1 132 GLU QG 5.000 . 5.000 2.592 2.265 2.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
1165 1 132 GLU HA 1 132 GLU HB3 2.800 . 2.800 2.639 2.542 2.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1166 1 132 GLU H 1 133 GLU H 2.800 . 2.800 2.783 2.694 2.816 0.016 28 0 "[ . 1 . 2 . 3 .]" 1
1167 1 132 GLU HA 1 133 GLU H 5.000 . 5.000 3.597 3.592 3.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
1168 1 132 GLU QG 1 133 GLU H 5.000 . 5.000 4.293 4.135 4.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
1169 1 132 GLU H 1 134 GLU H 5.000 . 5.000 4.325 4.214 4.390 . 0 0 "[ . 1 . 2 . 3 .]" 1
1170 1 132 GLU HA 1 134 GLU H 5.000 . 5.000 4.320 4.226 4.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
1171 1 132 GLU HA 1 135 ALA H 3.500 . 3.500 3.488 3.350 3.532 0.032 17 0 "[ . 1 . 2 . 3 .]" 1
1172 1 132 GLU QG 1 135 ALA MB 5.000 . 5.000 4.253 3.924 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
1173 1 132 GLU HA 1 136 ARG H 5.000 . 5.000 4.422 4.124 4.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
1174 1 132 GLU H 1 142 VAL QG 3.500 . 3.500 3.304 3.049 3.508 0.008 1 0 "[ . 1 . 2 . 3 .]" 1
1175 1 132 GLU HA 1 142 VAL QG 2.800 . 2.800 2.084 1.880 2.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
1176 1 132 GLU QG 1 142 VAL QG 2.800 . 2.800 2.676 2.452 2.811 0.011 8 0 "[ . 1 . 2 . 3 .]" 1
1177 1 133 GLU H 1 133 GLU QG 5.000 . 5.000 3.884 2.538 4.061 . 0 0 "[ . 1 . 2 . 3 .]" 1
1178 1 133 GLU H 1 134 GLU H 2.800 . 2.800 2.789 2.710 2.815 0.015 15 0 "[ . 1 . 2 . 3 .]" 1
1179 1 133 GLU HA 1 134 GLU H 3.500 . 3.500 3.579 3.575 3.583 0.083 14 0 "[ . 1 . 2 . 3 .]" 1
1180 1 133 GLU QG 1 134 GLU H 5.000 . 5.000 4.004 3.699 4.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
1181 1 133 GLU H 1 135 ALA H 5.000 . 5.000 4.439 4.287 4.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
1182 1 133 GLU HA 1 135 ALA H 5.000 . 5.000 4.535 4.348 4.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
1183 1 133 GLU HA 1 136 ARG H 3.500 . 3.500 3.505 3.441 3.535 0.035 28 0 "[ . 1 . 2 . 3 .]" 1
1184 1 133 GLU HA 1 137 LYS H 5.000 . 5.000 4.359 3.971 4.732 . 0 0 "[ . 1 . 2 . 3 .]" 1
1185 1 133 GLU QG 1 137 LYS QG 5.000 . 5.000 3.445 2.301 5.003 0.003 18 0 "[ . 1 . 2 . 3 .]" 1
1186 1 133 GLU QG 1 137 LYS QE 3.500 . 3.500 2.922 1.941 3.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
1187 1 134 GLU H 1 134 GLU HB2 2.800 . 2.800 2.216 2.128 2.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
1188 1 134 GLU H 1 134 GLU QG 5.000 . 5.000 2.919 2.222 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
1189 1 134 GLU HA 1 134 GLU HB3 2.800 . 2.800 2.699 2.531 2.956 0.156 16 0 "[ . 1 . 2 . 3 .]" 1
1190 1 134 GLU H 1 135 ALA H 2.800 . 2.800 2.793 2.676 2.822 0.022 15 0 "[ . 1 . 2 . 3 .]" 1
1191 1 134 GLU QB 1 135 ALA H 5.000 . 5.000 2.556 2.392 2.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
1192 1 134 GLU H 1 136 ARG H 5.000 . 5.000 4.269 4.100 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1193 1 134 GLU HA 1 136 ARG H 5.000 . 5.000 4.526 4.405 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
1194 1 134 GLU HA 1 137 LYS H 3.500 . 3.500 3.504 3.446 3.539 0.039 10 0 "[ . 1 . 2 . 3 .]" 1
1195 1 134 GLU HA 1 137 LYS QG 5.000 . 5.000 3.880 2.819 4.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
1196 1 134 GLU HA 1 138 LYS H 5.000 . 5.000 4.348 3.687 4.931 . 0 0 "[ . 1 . 2 . 3 .]" 1
1197 1 134 GLU QG 1 138 LYS QE 5.000 . 5.000 4.252 3.017 5.005 0.005 34 0 "[ . 1 . 2 . 3 .]" 1
1198 1 135 ALA H 1 136 ARG H 2.800 . 2.800 2.772 2.669 2.812 0.012 12 0 "[ . 1 . 2 . 3 .]" 1
1199 1 135 ALA HA 1 136 ARG H 5.000 . 5.000 3.597 3.591 3.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
1200 1 135 ALA MB 1 136 ARG H 5.000 . 5.000 2.543 2.371 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
1201 1 135 ALA H 1 137 LYS H 5.000 . 5.000 4.222 4.120 4.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
1202 1 135 ALA HA 1 137 LYS H 5.000 . 5.000 4.341 4.183 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
1203 1 135 ALA HA 1 138 LYS H 3.500 . 3.500 3.440 3.278 3.518 0.018 18 0 "[ . 1 . 2 . 3 .]" 1
1204 1 135 ALA HA 1 138 LYS QB 3.500 . 3.500 3.080 2.341 3.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
1205 1 135 ALA MB 1 138 LYS H 5.000 . 5.000 4.605 4.490 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
1206 1 135 ALA HA 1 139 GLY H 5.000 . 5.000 4.673 2.985 5.047 0.047 27 0 "[ . 1 . 2 . 3 .]" 1
1207 1 135 ALA HA 1 140 THR MG 2.800 . 2.800 1.902 1.832 2.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
1208 1 135 ALA MB 1 140 THR H 3.500 . 3.500 3.387 3.142 3.534 0.034 31 0 "[ . 1 . 2 . 3 .]" 1
1209 1 135 ALA MB 1 140 THR MG 2.800 . 2.800 2.389 2.095 2.851 0.051 22 0 "[ . 1 . 2 . 3 .]" 1
1210 1 135 ALA MB 1 141 GLN H 3.500 . 3.500 3.400 2.307 3.541 0.041 15 0 "[ . 1 . 2 . 3 .]" 1
1211 1 135 ALA MB 1 141 GLN HA 2.800 . 2.800 2.066 1.918 2.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
1212 1 135 ALA MB 1 141 GLN QG 3.500 . 3.500 3.474 3.272 3.525 0.025 27 0 "[ . 1 . 2 . 3 .]" 1
1213 1 135 ALA H 1 142 VAL QG 2.800 . 2.800 2.818 2.654 2.860 0.060 5 0 "[ . 1 . 2 . 3 .]" 1
1214 1 135 ALA HA 1 142 VAL QG 5.000 . 5.000 4.020 3.817 4.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
1215 1 135 ALA MB 1 142 VAL H 5.000 . 5.000 2.812 2.555 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
1216 1 135 ALA MB 1 142 VAL HA 5.000 . 5.000 4.031 3.790 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
1217 1 135 ALA MB 1 142 VAL HB 2.800 . 2.800 2.505 2.151 2.813 0.013 10 0 "[ . 1 . 2 . 3 .]" 1
1218 1 135 ALA MB 1 142 VAL QG 2.800 . 2.800 1.921 1.800 2.049 . 0 0 "[ . 1 . 2 . 3 .]" 1
1219 1 136 ARG H 1 136 ARG QD 5.000 . 5.000 4.075 2.162 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
1220 1 136 ARG HA 1 136 ARG QD 5.000 . 5.000 3.289 1.979 4.115 . 0 0 "[ . 1 . 2 . 3 .]" 1
1221 1 136 ARG H 1 137 LYS H 2.800 . 2.800 2.755 2.665 2.806 0.006 16 0 "[ . 1 . 2 . 3 .]" 1
1222 1 136 ARG HA 1 137 LYS H 5.000 . 5.000 3.589 3.578 3.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
1223 1 136 ARG H 1 138 LYS H 5.000 . 5.000 4.253 4.122 4.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
1224 1 136 ARG HA 1 139 GLY H 5.000 . 5.000 3.774 3.329 4.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
1225 1 137 LYS H 1 137 LYS QG 5.000 . 5.000 2.714 2.177 3.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
1226 1 137 LYS H 1 138 LYS H 3.500 . 3.500 2.632 2.421 2.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
1227 1 137 LYS HA 1 138 LYS H 5.000 . 5.000 3.589 3.576 3.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
1228 1 137 LYS QB 1 138 LYS H 5.000 . 5.000 2.751 2.562 2.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
1229 1 137 LYS QG 1 138 LYS H 5.000 . 5.000 4.296 4.079 4.662 . 0 0 "[ . 1 . 2 . 3 .]" 1
1230 1 138 LYS H 1 139 GLY H 3.500 . 3.500 2.720 2.454 2.859 . 0 0 "[ . 1 . 2 . 3 .]" 1
1231 1 138 LYS HA 1 139 GLY H 3.500 . 3.500 3.262 3.125 3.571 0.071 22 0 "[ . 1 . 2 . 3 .]" 1
1232 1 138 LYS QB 1 139 GLY H 5.000 . 5.000 3.520 2.764 3.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
1233 1 138 LYS QG 1 139 GLY H 5.000 . 5.000 4.504 4.187 4.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
1234 1 138 LYS H 1 140 THR H 5.000 . 5.000 3.828 3.652 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
1235 1 138 LYS HA 1 140 THR H 5.000 . 5.000 5.015 4.816 5.082 0.082 10 0 "[ . 1 . 2 . 3 .]" 1
1236 1 138 LYS HA 1 140 THR MG 5.000 . 5.000 4.256 3.986 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1237 1 138 LYS QB 1 140 THR H 5.000 . 5.000 3.535 3.006 3.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
1238 1 138 LYS QB 1 140 THR MG 5.000 . 5.000 2.012 1.885 2.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
1239 1 138 LYS QG 1 140 THR MG 5.000 . 5.000 3.657 2.482 4.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
1240 1 138 LYS QE 1 140 THR MG 5.000 . 5.000 4.177 2.145 5.001 0.001 35 0 "[ . 1 . 2 . 3 .]" 1
1241 1 139 GLY H 1 140 THR H 5.000 . 5.000 2.800 2.329 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
1242 1 139 GLY QA 1 140 THR H 3.500 . 3.500 2.762 2.719 2.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
1243 1 139 GLY QA 1 140 THR MG 5.000 . 5.000 4.021 3.946 4.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
1244 1 140 THR H 1 141 GLN H 5.000 . 5.000 4.305 2.390 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
1245 1 140 THR HA 1 141 GLN H 3.500 . 3.500 2.847 2.742 3.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
1246 1 140 THR HB 1 141 GLN H 5.000 . 5.000 3.641 3.595 4.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
1247 1 141 GLN H 1 141 GLN HB2 2.800 . 2.800 2.474 2.324 3.040 0.240 22 0 "[ . 1 . 2 . 3 .]" 1
1248 1 141 GLN H 1 141 GLN QG 5.000 . 5.000 3.364 2.886 3.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
1249 1 141 GLN HA 1 141 GLN HB3 2.800 . 2.800 2.636 2.501 2.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
1250 1 141 GLN H 1 142 VAL H 5.000 . 5.000 4.491 4.392 4.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
1251 1 141 GLN HA 1 142 VAL H 2.800 . 2.800 2.404 2.272 2.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
1252 1 141 GLN HA 1 142 VAL QG 5.000 . 5.000 3.573 3.345 3.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
1253 1 141 GLN QB 1 142 VAL H 3.500 . 3.500 2.836 2.290 3.300 . 0 0 "[ . 1 . 2 . 3 .]" 1
1254 1 141 GLN QG 1 142 VAL H 5.000 . 5.000 3.721 3.363 4.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
1255 1 142 VAL QG 1 143 SER QB 3.500 . 3.500 3.644 3.624 3.667 0.167 23 0 "[ . 1 . 2 . 3 .]" 1
1256 1 142 VAL QG 1 144 PHE H 5.000 . 5.000 3.169 2.805 3.681 . 0 0 "[ . 1 . 2 . 3 .]" 1
1257 1 142 VAL QG 1 144 PHE QB 5.000 . 5.000 3.403 3.232 3.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
1258 1 142 VAL QG 1 144 PHE QD 5.000 . 5.000 4.966 4.847 5.042 0.042 22 0 "[ . 1 . 2 . 3 .]" 1
1259 1 143 SER HA 1 144 PHE H 3.500 . 3.500 2.381 2.257 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
1260 1 143 SER QB 1 144 PHE H 5.000 . 5.000 4.072 3.977 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
1261 1 144 PHE H 1 144 PHE HB3 2.800 . 2.800 2.296 2.225 2.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
1262 1 144 PHE H 1 144 PHE HB2 2.800 . 2.800 2.900 2.835 2.933 0.133 31 0 "[ . 1 . 2 . 3 .]" 1
1263 1 144 PHE H 1 144 PHE QD 5.000 . 5.000 4.073 3.994 4.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
1264 1 144 PHE HA 1 144 PHE HB2 2.800 . 2.800 2.409 2.382 2.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
1265 1 144 PHE QD 1 147 CYS HA 5.000 . 5.000 4.461 4.250 5.009 0.009 21 0 "[ . 1 . 2 . 3 .]" 1
1266 1 144 PHE QD 1 147 CYS QB 5.000 . 5.000 4.757 4.640 4.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
1267 1 144 PHE QE 1 147 CYS H 3.500 . 3.500 3.555 3.499 3.624 0.124 6 0 "[ . 1 . 2 . 3 .]" 1
1268 1 144 PHE QE 1 147 CYS HA 2.800 . 2.800 2.189 1.978 2.820 0.020 21 0 "[ . 1 . 2 . 3 .]" 1
1269 1 144 PHE QE 1 147 CYS QB 3.500 . 3.500 2.857 2.764 2.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
1270 1 144 PHE HZ 1 147 CYS H 5.000 . 5.000 2.434 2.316 2.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
1271 1 144 PHE HZ 1 147 CYS HA 5.000 . 5.000 3.165 2.963 3.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
1272 1 144 PHE HZ 1 147 CYS QB 5.000 . 5.000 2.235 1.969 2.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
1273 1 144 PHE QE 1 148 VAL H 5.000 . 5.000 4.294 4.075 4.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
1274 1 144 PHE HZ 1 152 CYS QB 5.000 . 5.000 4.594 4.439 4.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
1275 1 144 PHE QE 1 154 GLY H 3.500 . 3.500 3.210 2.599 3.511 0.011 19 0 "[ . 1 . 2 . 3 .]" 1
1276 1 144 PHE HZ 1 154 GLY H 5.000 . 5.000 3.704 3.394 4.248 . 0 0 "[ . 1 . 2 . 3 .]" 1
1277 1 145 HIS H 1 145 HIS QB 2.800 . 2.800 2.489 2.209 2.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
1278 1 145 HIS H 1 146 GLN H 2.800 . 2.800 2.310 2.290 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
1279 1 145 HIS HA 1 146 GLN H 3.500 . 3.500 3.601 3.595 3.610 0.110 19 0 "[ . 1 . 2 . 3 .]" 1
1280 1 145 HIS QB 1 146 GLN H 3.500 . 3.500 2.202 2.122 2.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
1281 1 146 GLN H 1 146 GLN QG 5.000 . 5.000 2.223 2.087 4.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
1282 1 146 GLN H 1 146 GLN QE 5.000 . 5.000 4.065 2.671 4.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
1283 1 146 GLN HA 1 146 GLN QG 3.500 . 3.500 3.338 2.712 3.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
1284 1 146 GLN HA 1 146 GLN QE 5.000 . 5.000 4.595 4.362 5.007 0.007 8 0 "[ . 1 . 2 . 3 .]" 1
1285 1 146 GLN H 1 147 CYS H 5.000 . 5.000 4.450 4.401 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
1286 1 146 GLN HA 1 147 CYS H 2.300 . 2.300 2.368 2.352 2.405 0.105 27 0 "[ . 1 . 2 . 3 .]" 1
1287 1 146 GLN QB 1 147 CYS H 3.500 . 3.500 2.944 2.814 3.591 0.091 3 0 "[ . 1 . 2 . 3 .]" 1
1288 1 146 GLN QG 1 147 CYS H 5.000 . 5.000 3.832 2.157 3.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
1289 1 146 GLN QB 1 151 GLY QA 5.000 . 5.000 3.896 3.538 4.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
1290 1 146 GLN QG 1 151 GLY QA 5.000 . 5.000 4.793 2.884 5.047 0.047 24 0 "[ . 1 . 2 . 3 .]" 1
1291 1 146 GLN HA 1 152 CYS H 5.000 . 5.000 4.671 4.511 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
1292 1 146 GLN QB 1 152 CYS H 5.000 . 5.000 3.517 3.255 4.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
1293 1 146 GLN HA 1 153 ARG H 5.000 . 5.000 4.869 4.650 5.001 0.001 30 0 "[ . 1 . 2 . 3 .]" 1
1294 1 146 GLN HA 1 153 ARG HA 5.000 . 5.000 2.899 2.554 3.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
1295 1 146 GLN HA 1 153 ARG QB 5.000 . 5.000 4.907 4.541 5.041 0.041 28 0 "[ . 1 . 2 . 3 .]" 1
1296 1 146 GLN QB 1 153 ARG HA 5.000 . 5.000 2.324 2.037 2.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
1297 1 146 GLN HA 1 154 GLY H 5.000 . 5.000 2.527 2.332 2.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
1298 1 146 GLN HA 1 154 GLY QA 3.500 . 3.500 3.630 3.567 3.721 0.221 27 0 "[ . 1 . 2 . 3 .]" 1
1299 1 147 CYS H 1 147 CYS HB3 2.800 . 2.800 2.725 2.680 2.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
1300 1 147 CYS HA 1 147 CYS HB3 2.800 . 2.800 2.485 2.474 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
1301 1 147 CYS HA 1 147 CYS HB2 2.800 . 2.800 2.436 2.432 2.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
1302 1 147 CYS H 1 148 VAL H 5.000 . 5.000 4.674 4.648 4.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
1303 1 147 CYS HA 1 148 VAL H 2.800 . 2.800 2.359 2.331 2.398 . 0 0 "[ . 1 . 2 . 3 .]" 1
1304 1 147 CYS HA 1 148 VAL QG 5.000 . 5.000 3.675 3.280 4.027 . 0 0 "[ . 1 . 2 . 3 .]" 1
1305 1 147 CYS HB3 1 148 VAL H 5.000 . 5.000 4.047 4.018 4.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
1306 1 147 CYS HB2 1 148 VAL H 2.800 . 2.800 2.815 2.752 2.836 0.036 13 0 "[ . 1 . 2 . 3 .]" 1
1307 1 147 CYS HA 1 149 HIS H 5.000 . 5.000 4.220 4.171 4.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
1308 1 147 CYS HB3 1 149 HIS H 5.000 . 5.000 4.553 4.488 4.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
1309 1 147 CYS HB2 1 149 HIS H 3.500 . 3.500 2.962 2.888 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 1
1310 1 147 CYS H 1 152 CYS H 3.500 . 3.500 3.558 3.500 3.589 0.089 14 0 "[ . 1 . 2 . 3 .]" 1
1311 1 147 CYS H 1 152 CYS QB 3.500 . 3.500 3.095 2.936 3.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
1312 1 147 CYS H 1 153 ARG HA 5.000 . 5.000 4.761 4.445 5.026 0.026 30 0 "[ . 1 . 2 . 3 .]" 1
1313 1 148 VAL H 1 148 VAL QG 3.500 . 3.500 1.993 1.876 2.090 . 0 0 "[ . 1 . 2 . 3 .]" 1
1314 1 148 VAL H 1 149 HIS H 2.800 . 2.800 2.665 2.615 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
1315 1 148 VAL HA 1 149 HIS H 5.000 . 5.000 3.554 3.543 3.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
1316 1 148 VAL HB 1 149 HIS H 5.000 . 5.000 4.102 4.014 4.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
1317 1 148 VAL QG 1 149 HIS H 2.800 . 2.800 2.153 2.115 2.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1318 1 148 VAL QG 1 149 HIS HD2 5.000 . 5.000 4.957 4.851 5.012 0.012 30 0 "[ . 1 . 2 . 3 .]" 1
1319 1 148 VAL QG 1 150 CYS H 5.000 . 5.000 4.485 4.255 4.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
1320 1 149 HIS H 1 149 HIS HB2 2.800 . 2.800 2.532 2.513 2.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
1321 1 149 HIS H 1 149 HIS HD2 5.000 . 5.000 4.295 4.195 4.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
1322 1 149 HIS HA 1 149 HIS HB3 2.800 . 2.800 2.511 2.503 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
1323 1 149 HIS H 1 150 CYS H 3.500 . 3.500 3.076 2.893 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
1324 1 149 HIS HA 1 150 CYS H 5.000 . 5.000 3.619 3.595 3.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
1325 1 149 HIS QB 1 150 CYS H 3.500 . 3.500 2.238 2.127 2.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
1326 1 150 CYS H 1 150 CYS HB3 2.800 . 2.800 2.974 2.901 3.123 0.323 8 0 "[ . 1 . 2 . 3 .]" 1
1327 1 150 CYS HA 1 150 CYS HB3 2.800 . 2.800 2.495 2.453 2.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
1328 1 150 CYS HA 1 150 CYS HB2 2.800 . 2.800 2.442 2.432 2.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
1329 1 150 CYS H 1 151 GLY H 5.000 . 5.000 4.384 4.347 4.451 . 0 0 "[ . 1 . 2 . 3 .]" 1
1330 1 150 CYS HA 1 151 GLY H 3.500 . 3.500 2.782 2.611 2.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
1331 1 150 CYS QB 1 151 GLY H 2.800 . 2.800 2.181 2.137 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
1332 1 150 CYS H 1 152 CYS H 5.000 . 5.000 3.941 3.832 4.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
1333 1 150 CYS HA 1 152 CYS H 5.000 . 5.000 4.798 4.671 4.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
1334 1 151 GLY H 1 152 CYS H 5.000 . 5.000 3.474 3.349 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1335 1 151 GLY QA 1 152 CYS H 3.500 . 3.500 2.560 2.510 2.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
1336 1 152 CYS H 1 152 CYS HB3 2.800 . 2.800 2.287 2.248 2.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
1337 1 152 CYS H 1 152 CYS HB2 2.800 . 2.800 2.869 2.844 2.888 0.088 8 0 "[ . 1 . 2 . 3 .]" 1
1338 1 152 CYS HA 1 152 CYS HB2 2.800 . 2.800 2.417 2.402 2.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
1339 1 152 CYS H 1 153 ARG H 5.000 . 5.000 4.605 4.566 4.637 . 0 0 "[ . 1 . 2 . 3 .]" 1
1340 1 152 CYS HA 1 153 ARG H 2.800 . 2.800 2.303 2.277 2.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
1341 1 152 CYS QB 1 153 ARG H 5.000 . 5.000 3.735 3.670 3.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
1342 1 152 CYS HA 1 154 GLY H 5.000 . 5.000 4.348 4.213 4.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
1343 1 153 ARG H 1 153 ARG QG 5.000 . 5.000 3.241 2.108 4.086 . 0 0 "[ . 1 . 2 . 3 .]" 1
1344 1 153 ARG H 1 154 GLY H 3.500 . 3.500 3.296 3.081 3.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1345 1 153 ARG HA 1 154 GLY H 3.500 . 3.500 2.785 2.697 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
1346 1 154 GLY H 1 154 GLY QA 2.800 . 2.800 2.234 2.220 2.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
1347 1 154 GLY H 1 155 CYS H 3.500 . 3.500 3.469 3.342 3.531 0.031 8 0 "[ . 1 . 2 . 3 .]" 1
1348 1 154 GLY QA 1 155 CYS H 2.800 . 2.800 2.263 2.242 2.289 . 0 0 "[ . 1 . 2 . 3 .]" 1
1349 1 155 CYS H 1 155 CYS HB3 2.800 . 2.800 2.820 2.787 2.837 0.037 27 0 "[ . 1 . 2 . 3 .]" 1
1350 1 155 CYS HA 1 155 CYS HB3 2.800 . 2.800 2.505 2.491 2.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
1351 1 155 CYS HA 1 155 CYS HB2 2.800 . 2.800 2.437 2.432 2.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
1352 1 155 CYS H 1 156 ALA H 5.000 . 5.000 4.474 4.411 4.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
1353 1 155 CYS HA 1 156 ALA H 2.800 . 2.800 2.233 2.206 2.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
1354 1 155 CYS QB 1 156 ALA H 3.500 . 3.500 3.386 3.318 3.515 0.015 28 0 "[ . 1 . 2 . 3 .]" 1
1355 1 156 ALA H 1 157 SER H 5.000 . 5.000 4.399 4.215 4.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
1356 1 156 ALA HA 1 157 SER H 2.300 . 2.300 2.316 2.256 2.370 0.070 14 0 "[ . 1 . 2 . 3 .]" 1
1357 1 156 ALA MB 1 157 SER H 5.000 . 5.000 2.993 2.813 3.354 . 0 0 "[ . 1 . 2 . 3 .]" 1
1358 1 156 ALA MB 1 158 THR H 5.000 . 5.000 3.740 2.623 4.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
1359 1 156 ALA HA 1 159 ASP H 5.000 . 5.000 4.856 4.578 5.059 0.059 2 0 "[ . 1 . 2 . 3 .]" 1
1360 1 156 ALA MB 1 159 ASP QB 5.000 . 5.000 3.598 3.005 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
1361 1 157 SER H 1 157 SER HB2 2.800 . 2.800 2.791 2.618 2.832 0.032 19 0 "[ . 1 . 2 . 3 .]" 1
1362 1 157 SER HA 1 157 SER HB3 2.800 . 2.800 2.328 2.317 2.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
1363 1 157 SER QB 1 158 THR MG 5.000 . 5.000 3.939 2.341 5.003 0.003 2 0 "[ . 1 . 2 . 3 .]" 1
1364 1 158 THR HA 1 159 ASP H 3.500 . 3.500 3.418 2.769 3.613 0.113 2 0 "[ . 1 . 2 . 3 .]" 1
1365 1 158 THR MG 1 159 ASP H 5.000 . 5.000 3.924 3.270 4.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
1366 1 159 ASP H 1 159 ASP HB2 2.800 . 2.800 2.476 2.278 2.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
1367 1 159 ASP HA 1 159 ASP HB3 2.800 . 2.800 2.630 2.493 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 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 18
_Distance_constraint_stats_list.Viol_count 272
_Distance_constraint_stats_list.Viol_total 275.310
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0220
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0125
_Distance_constraint_stats_list.Viol_average_violations_only 0.0289
_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
1 106 CYS 1.703 0.064 5 0 "[ . 1 . 2 . 3 .]"
1 107 CYS 3.816 0.069 5 0 "[ . 1 . 2 . 3 .]"
1 110 CYS 2.628 0.069 5 0 "[ . 1 . 2 . 3 .]"
1 122 CYS 2.868 0.120 34 0 "[ . 1 . 2 . 3 .]"
1 124 CYS 0.112 0.012 30 0 "[ . 1 . 2 . 3 .]"
1 147 CYS 2.663 0.120 34 0 "[ . 1 . 2 . 3 .]"
1 150 CYS 1.485 0.061 20 0 "[ . 1 . 2 . 3 .]"
1 152 CYS 0.196 0.023 35 0 "[ . 1 . 2 . 3 .]"
1 155 CYS 0.260 0.023 35 0 "[ . 1 . 2 . 3 .]"
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 1 106 CYS SG 1 110 CYS SG 3.800 3.700 3.900 3.687 3.671 3.708 0.029 14 0 "[ . 1 . 2 . 3 .]" 2
2 1 106 CYS SG 1 107 CYS SG 3.800 3.700 3.900 3.667 3.636 3.700 0.064 5 0 "[ . 1 . 2 . 3 .]" 2
3 1 106 CYS SG 1 150 CYS SG 3.800 3.700 3.900 3.886 3.822 3.912 0.012 35 0 "[ . 1 . 2 . 3 .]" 2
4 1 107 CYS SG 1 110 CYS SG 3.800 3.700 3.900 3.945 3.920 3.969 0.069 5 0 "[ . 1 . 2 . 3 .]" 2
5 1 110 CYS SG 1 150 CYS SG 3.800 3.700 3.900 3.697 3.651 3.746 0.049 29 0 "[ . 1 . 2 . 3 .]" 2
6 1 107 CYS SG 1 150 CYS SG 3.800 3.700 3.900 3.671 3.639 3.746 0.061 20 0 "[ . 1 . 2 . 3 .]" 2
7 1 106 CYS SG 1 124 CYS SG 3.800 3.700 3.900 3.844 3.803 3.877 . 0 0 "[ . 1 . 2 . 3 .]" 2
8 1 106 CYS SG 1 152 CYS SG 3.800 3.700 3.900 3.747 3.707 3.789 . 0 0 "[ . 1 . 2 . 3 .]" 2
9 1 106 CYS SG 1 155 CYS SG 3.800 3.700 3.900 3.748 3.697 3.798 0.003 33 0 "[ . 1 . 2 . 3 .]" 2
10 1 124 CYS SG 1 152 CYS SG 3.800 3.700 3.900 3.862 3.846 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 2
11 1 124 CYS SG 1 155 CYS SG 3.800 3.700 3.900 3.705 3.688 3.719 0.012 30 0 "[ . 1 . 2 . 3 .]" 2
12 1 152 CYS SG 1 155 CYS SG 3.800 3.700 3.900 3.698 3.677 3.727 0.023 35 0 "[ . 1 . 2 . 3 .]" 2
13 1 110 CYS SG 1 124 CYS SG 3.800 3.700 3.900 3.888 3.864 3.910 0.010 7 0 "[ . 1 . 2 . 3 .]" 2
14 1 122 CYS SG 1 124 CYS SG 3.800 3.700 3.900 3.792 3.757 3.849 . 0 0 "[ . 1 . 2 . 3 .]" 2
15 1 124 CYS SG 1 147 CYS SG 3.800 3.700 3.900 3.712 3.692 3.739 0.008 9 0 "[ . 1 . 2 . 3 .]" 2
16 1 110 CYS SG 1 122 CYS SG 3.800 3.700 3.900 3.699 3.666 3.734 0.034 28 0 "[ . 1 . 2 . 3 .]" 2
17 1 110 CYS SG 1 147 CYS SG 3.800 3.700 3.900 3.818 3.787 3.886 . 0 0 "[ . 1 . 2 . 3 .]" 2
18 1 122 CYS SG 1 147 CYS SG 3.800 3.700 3.900 3.625 3.580 3.654 0.120 34 0 "[ . 1 . 2 . 3 .]" 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 30
_Distance_constraint_stats_list.Viol_count 134
_Distance_constraint_stats_list.Viol_total 110.115
_Distance_constraint_stats_list.Viol_max 0.077
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0235
_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 61 ARG 0.121 0.029 21 0 "[ . 1 . 2 . 3 .]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 63 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 64 TYR 1.290 0.059 13 0 "[ . 1 . 2 . 3 .]"
1 65 ILE 0.121 0.029 21 0 "[ . 1 . 2 . 3 .]"
1 66 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 68 LEU 1.290 0.059 13 0 "[ . 1 . 2 . 3 .]"
1 69 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 78 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 79 LEU 0.017 0.017 13 0 "[ . 1 . 2 . 3 .]"
1 80 TYR 0.799 0.039 34 0 "[ . 1 . 2 . 3 .]"
1 81 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 82 TRP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 83 LEU 0.017 0.017 13 0 "[ . 1 . 2 . 3 .]"
1 84 ILE 0.799 0.039 34 0 "[ . 1 . 2 . 3 .]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 90 ASP 0.283 0.047 21 0 "[ . 1 . 2 . 3 .]"
1 91 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 92 LEU 0.020 0.020 26 0 "[ . 1 . 2 . 3 .]"
1 93 LEU 0.616 0.077 21 0 "[ . 1 . 2 . 3 .]"
1 94 ILE 0.283 0.047 21 0 "[ . 1 . 2 . 3 .]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 96 LYS 0.020 0.020 26 0 "[ . 1 . 2 . 3 .]"
1 97 TRP 0.616 0.077 21 0 "[ . 1 . 2 . 3 .]"
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 61 ARG O 1 65 ILE N 3.200 . 3.200 3.077 2.883 3.195 . 0 0 "[ . 1 . 2 . 3 .]" 3
2 1 61 ARG O 1 65 ILE H 2.200 . 2.200 2.094 1.894 2.229 0.029 21 0 "[ . 1 . 2 . 3 .]" 3
3 1 62 SER O 1 66 TYR N 3.200 . 3.200 2.565 2.547 2.583 . 0 0 "[ . 1 . 2 . 3 .]" 3
4 1 62 SER O 1 66 TYR H 2.200 . 2.200 1.649 1.621 1.675 . 0 0 "[ . 1 . 2 . 3 .]" 3
5 1 63 ARG O 1 67 THR N 3.200 . 3.200 2.647 2.588 2.796 . 0 0 "[ . 1 . 2 . 3 .]" 3
6 1 63 ARG O 1 67 THR H 2.200 . 2.200 1.767 1.661 2.054 . 0 0 "[ . 1 . 2 . 3 .]" 3
7 1 64 TYR O 1 68 LEU N 3.200 . 3.200 3.168 3.131 3.203 0.003 13 0 "[ . 1 . 2 . 3 .]" 3
8 1 64 TYR O 1 68 LEU H 2.200 . 2.200 2.237 2.212 2.259 0.059 13 0 "[ . 1 . 2 . 3 .]" 3
9 1 65 ILE O 1 69 TYR N 3.200 . 3.200 2.794 2.658 2.931 . 0 0 "[ . 1 . 2 . 3 .]" 3
10 1 65 ILE O 1 69 TYR H 2.200 . 2.200 1.844 1.707 1.995 . 0 0 "[ . 1 . 2 . 3 .]" 3
11 1 76 SER O 1 80 TYR N 3.200 . 3.200 2.971 2.935 3.028 . 0 0 "[ . 1 . 2 . 3 .]" 3
12 1 76 SER O 1 80 TYR H 2.200 . 2.200 1.987 1.950 2.051 . 0 0 "[ . 1 . 2 . 3 .]" 3
13 1 77 LYS O 1 81 ASP N 3.200 . 3.200 2.579 2.570 2.588 . 0 0 "[ . 1 . 2 . 3 .]" 3
14 1 77 LYS O 1 81 ASP H 2.200 . 2.200 1.675 1.653 1.687 . 0 0 "[ . 1 . 2 . 3 .]" 3
15 1 78 ASP O 1 82 TRP N 3.200 . 3.200 2.724 2.592 2.938 . 0 0 "[ . 1 . 2 . 3 .]" 3
16 1 78 ASP O 1 82 TRP H 2.200 . 2.200 1.776 1.663 1.980 . 0 0 "[ . 1 . 2 . 3 .]" 3
17 1 79 LEU O 1 83 LEU N 3.200 . 3.200 2.900 2.772 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 3
18 1 79 LEU O 1 83 LEU H 2.200 . 2.200 1.986 1.850 2.217 0.017 13 0 "[ . 1 . 2 . 3 .]" 3
19 1 80 TYR O 1 84 ILE N 3.200 . 3.200 3.197 3.162 3.225 0.025 34 0 "[ . 1 . 2 . 3 .]" 3
20 1 80 TYR O 1 84 ILE H 2.200 . 2.200 2.218 2.187 2.239 0.039 34 0 "[ . 1 . 2 . 3 .]" 3
21 1 81 ASP O 1 85 LYS N 3.200 . 3.200 2.908 2.648 3.016 . 0 0 "[ . 1 . 2 . 3 .]" 3
22 1 81 ASP O 1 85 LYS H 2.200 . 2.200 2.031 1.790 2.127 . 0 0 "[ . 1 . 2 . 3 .]" 3
23 1 90 ASP O 1 94 ILE N 3.200 . 3.200 3.107 2.914 3.214 0.014 21 0 "[ . 1 . 2 . 3 .]" 3
24 1 90 ASP O 1 94 ILE H 2.200 . 2.200 2.128 1.949 2.247 0.047 21 0 "[ . 1 . 2 . 3 .]" 3
25 1 91 LYS O 1 95 ALA N 3.200 . 3.200 2.680 2.567 2.830 . 0 0 "[ . 1 . 2 . 3 .]" 3
26 1 91 LYS O 1 95 ALA H 2.200 . 2.200 1.775 1.670 1.934 . 0 0 "[ . 1 . 2 . 3 .]" 3
27 1 92 LEU O 1 96 LYS N 3.200 . 3.200 2.915 2.589 3.144 . 0 0 "[ . 1 . 2 . 3 .]" 3
28 1 92 LEU O 1 96 LYS H 2.200 . 2.200 2.004 1.674 2.220 0.020 26 0 "[ . 1 . 2 . 3 .]" 3
29 1 93 LEU O 1 97 TRP N 3.200 . 3.200 3.143 2.950 3.240 0.040 21 0 "[ . 1 . 2 . 3 .]" 3
30 1 93 LEU O 1 97 TRP H 2.200 . 2.200 2.188 1.981 2.277 0.077 21 0 "[ . 1 . 2 . 3 .]" 3
stop_
save_
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