NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
602184 |
2mux   |
19111 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mux
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 892
_Distance_constraint_stats_list.Viol_count 809
_Distance_constraint_stats_list.Viol_total 2313.389
_Distance_constraint_stats_list.Viol_max 1.289
_Distance_constraint_stats_list.Viol_rms 0.0673
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.1906
_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 21 MET 3.347 0.745 6 2 "[ - .+ 1 .]"
1 22 THR 0.652 0.169 4 0 "[ . 1 .]"
1 23 VAL 1.673 0.200 13 0 "[ . 1 .]"
1 24 GLU 0.236 0.085 3 0 "[ . 1 .]"
1 25 GLN 0.097 0.097 12 0 "[ . 1 .]"
1 26 ASN 1.036 0.213 7 0 "[ . 1 .]"
1 27 VAL 0.494 0.189 11 0 "[ . 1 .]"
1 28 LEU 3.621 0.666 5 1 "[ + 1 .]"
1 29 GLN 2.049 0.666 5 1 "[ + 1 .]"
1 30 GLN 0.218 0.115 9 0 "[ . 1 .]"
1 31 SER 0.103 0.054 7 0 "[ . 1 .]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 33 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 34 GLN 0.053 0.053 2 0 "[ . 1 .]"
1 35 LYS 0.172 0.119 10 0 "[ . 1 .]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 38 GLN 0.057 0.019 10 0 "[ . 1 .]"
1 39 THR 4.705 0.218 1 0 "[ . 1 .]"
1 40 PHE 4.273 0.218 1 0 "[ . 1 .]"
1 41 LEU 0.629 0.060 2 0 "[ . 1 .]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 43 GLN 9.884 0.801 9 13 "[*****-* +1*****]"
1 44 LEU 0.964 0.110 15 0 "[ . 1 .]"
1 45 ARG 0.493 0.144 15 0 "[ . 1 .]"
1 46 GLU 9.194 0.801 9 11 "[*** .***+** *-.]"
1 47 ILE 20.641 0.683 3 13 "[**+ *********-.]"
1 48 THR 2.888 0.263 13 0 "[ . 1 .]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 50 ILE 0.875 0.231 1 0 "[ . 1 .]"
1 51 ASN 0.329 0.132 1 0 "[ . 1 .]"
1 52 ASP 0.581 0.231 1 0 "[ . 1 .]"
1 53 THR 0.039 0.025 2 0 "[ . 1 .]"
1 54 GLN 7.290 0.563 10 2 "[ . - + .]"
1 55 ILE 3.857 0.461 10 0 "[ . 1 .]"
1 56 LEU 0.036 0.036 1 0 "[ . 1 .]"
1 57 GLN 0.183 0.183 12 0 "[ . 1 .]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 59 ALA 0.054 0.036 2 0 "[ . 1 .]"
1 60 LEU 0.266 0.178 7 0 "[ . 1 .]"
1 61 LYS 7.517 0.507 15 1 "[ . 1 +]"
1 62 ASP 8.588 0.507 15 1 "[ . 1 +]"
1 63 SER 5.118 0.772 14 3 "[ . -* +.]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 65 GLY 0.266 0.178 7 0 "[ . 1 .]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 67 LEU 4.867 0.509 11 1 "[ . 1+ .]"
1 68 GLU 3.925 0.509 11 1 "[ . 1+ .]"
1 69 LEU 0.871 0.214 11 0 "[ . 1 .]"
1 70 ALA 6.073 0.772 14 3 "[ . -* +.]"
1 71 VAL 2.952 0.306 12 0 "[ . 1 .]"
1 72 ALA 2.869 0.306 12 0 "[ . 1 .]"
1 73 PHE 0.576 0.130 7 0 "[ . 1 .]"
1 74 LEU 12.526 1.289 11 11 "[ *- ******+* *.]"
1 75 THR 2.163 0.196 5 0 "[ . 1 .]"
1 76 ALA 0.880 0.173 7 0 "[ . 1 .]"
1 77 LYS 0.647 0.173 7 0 "[ . 1 .]"
1 78 ASN 0.091 0.091 1 0 "[ . 1 .]"
1 79 ALA 0.016 0.016 5 0 "[ . 1 .]"
1 80 LYS 0.876 0.328 6 0 "[ . 1 .]"
1 81 THR 0.322 0.100 8 0 "[ . 1 .]"
1 82 PRO 0.057 0.050 4 0 "[ . 1 .]"
1 83 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 84 GLN 0.010 0.010 6 0 "[ . 1 .]"
1 85 GLU 0.067 0.050 4 0 "[ . 1 .]"
1 86 GLU 1.039 0.479 2 0 "[ . 1 .]"
1 87 THR 0.253 0.085 1 0 "[ . 1 .]"
1 88 THR 0.291 0.279 2 0 "[ . 1 .]"
1 89 TYR 3.175 0.475 10 0 "[ . 1 .]"
1 90 TYR 0.202 0.112 8 0 "[ . 1 .]"
1 91 GLN 0.202 0.112 8 0 "[ . 1 .]"
1 92 THR 6.806 0.630 1 8 "[+-**** * 1* .]"
1 93 ALA 0.030 0.021 13 0 "[ . 1 .]"
1 94 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 97 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 98 ASP 0.013 0.013 2 0 "[ . 1 .]"
1 99 ARG 0.013 0.013 2 0 "[ . 1 .]"
1 100 TYR 7.534 0.825 1 5 "[+ ** * -]"
1 101 ILE 9.364 0.825 1 5 "[+ ** * -]"
1 102 SER 0.057 0.057 1 0 "[ . 1 .]"
1 103 VAL 0.371 0.167 1 0 "[ . 1 .]"
1 104 GLY 0.003 0.003 5 0 "[ . 1 .]"
1 105 SER 0.003 0.003 5 0 "[ . 1 .]"
1 106 GLN 0.150 0.068 6 0 "[ . 1 .]"
1 107 ALA 0.150 0.068 6 0 "[ . 1 .]"
1 108 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 109 THR 0.000 0.000 . 0 "[ . 1 .]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 111 VAL 1.557 0.140 10 0 "[ . 1 .]"
1 112 ILE 7.063 0.218 12 0 "[ . 1 .]"
1 113 ASP 10.551 0.807 12 5 "[ * - * * + .]"
1 114 LEU 0.090 0.090 3 0 "[ . 1 .]"
1 115 THR 8.618 0.807 12 5 "[ * - * * + .]"
1 116 GLY 0.502 0.161 6 0 "[ . 1 .]"
1 117 ASP 0.011 0.011 9 0 "[ . 1 .]"
1 118 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 122 LEU 4.904 0.218 13 0 "[ . 1 .]"
1 123 GLN 2.932 0.218 13 0 "[ . 1 .]"
1 124 ARG 1.972 0.159 5 0 "[ . 1 .]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 126 ILE 4.635 0.200 14 0 "[ . 1 .]"
1 127 ALA 3.759 0.183 2 0 "[ . 1 .]"
1 128 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 129 SER 1.834 0.159 15 0 "[ . 1 .]"
1 130 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 131 ALA 1.834 0.159 15 0 "[ . 1 .]"
1 132 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 133 SER 0.429 0.071 15 0 "[ . 1 .]"
1 134 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 135 ARG 0.429 0.071 15 0 "[ . 1 .]"
1 136 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 137 PHE 2.179 1.082 10 2 "[ - . + .]"
1 138 ARG 4.320 1.082 10 3 "[ * . +- .]"
1 139 GLU 0.208 0.112 6 0 "[ . 1 .]"
1 140 THR 2.212 0.560 11 1 "[ . 1+ .]"
1 141 GLY 0.103 0.103 14 0 "[ . 1 .]"
1 142 ILE 0.074 0.074 1 0 "[ . 1 .]"
1 143 THR 0.074 0.074 1 0 "[ . 1 .]"
1 144 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 145 GLU 0.417 0.117 7 0 "[ . 1 .]"
1 146 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 147 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 148 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 149 ILE 0.031 0.031 15 0 "[ . 1 .]"
1 150 SER 0.036 0.031 15 0 "[ . 1 .]"
1 151 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 152 VAL 0.006 0.006 6 0 "[ . 1 .]"
1 153 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 154 GLU 0.387 0.239 1 0 "[ . 1 .]"
1 155 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 156 SER 0.006 0.006 12 0 "[ . 1 .]"
1 157 ILE 0.605 0.239 1 0 "[ . 1 .]"
1 158 ALA 0.162 0.093 4 0 "[ . 1 .]"
1 159 GLU 0.039 0.039 1 0 "[ . 1 .]"
1 162 ALA 0.235 0.135 13 0 "[ . 1 .]"
1 163 CYS 0.344 0.135 13 0 "[ . 1 .]"
1 164 LEU 0.109 0.109 8 0 "[ . 1 .]"
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 40 PHE HZ 1 70 ALA H 4.000 . 6.000 3.735 3.414 4.383 . 0 0 "[ . 1 .]" 1
2 1 69 LEU QD 1 70 ALA H 4.000 . 6.000 3.200 1.876 3.560 . 0 0 "[ . 1 .]" 1
3 1 70 ALA H 1 71 VAL HB 4.000 . 6.000 5.053 4.325 5.494 . 0 0 "[ . 1 .]" 1
4 1 69 LEU QB 1 70 ALA H 4.000 . 6.000 2.627 2.308 3.358 . 0 0 "[ . 1 .]" 1
5 1 70 ALA H 1 71 VAL H 4.000 . 6.000 2.709 2.475 2.829 . 0 0 "[ . 1 .]" 1
6 1 68 GLU HA 1 70 ALA H 4.000 . 6.000 4.596 4.206 4.952 . 0 0 "[ . 1 .]" 1
7 1 67 LEU H 1 70 ALA H 4.000 . 6.000 4.297 4.108 4.568 . 0 0 "[ . 1 .]" 1
8 1 70 ALA H 1 71 VAL QG 4.000 . 6.000 3.602 3.160 4.543 . 0 0 "[ . 1 .]" 1
9 1 69 LEU HG 1 70 ALA H 4.000 . 6.000 4.693 3.799 5.057 . 0 0 "[ . 1 .]" 1
10 1 70 ALA H 1 72 ALA H 4.000 . 6.000 4.094 3.463 4.517 . 0 0 "[ . 1 .]" 1
11 1 66 ASN H 1 70 ALA H 4.000 . 6.000 4.939 4.274 5.279 . 0 0 "[ . 1 .]" 1
12 1 69 LEU H 1 70 ALA H 4.000 . 6.000 2.337 2.203 2.555 . 0 0 "[ . 1 .]" 1
13 1 67 LEU QD 1 70 ALA H 4.000 . 6.000 3.612 3.296 3.877 . 0 0 "[ . 1 .]" 1
14 1 38 GLN H 1 38 GLN QG 4.000 . 6.000 2.937 1.957 3.927 . 0 0 "[ . 1 .]" 1
15 1 36 HIS HA 1 38 GLN H 4.000 . 6.000 4.011 3.324 5.650 . 0 0 "[ . 1 .]" 1
16 1 153 LEU H 1 154 GLU H 4.000 . 5.000 3.018 2.723 3.360 . 0 0 "[ . 1 .]" 1
17 1 152 VAL H 1 153 LEU H 4.000 . 6.000 2.896 2.727 3.192 . 0 0 "[ . 1 .]" 1
18 1 153 LEU H 1 153 LEU HA 3.000 . 5.000 2.748 2.653 2.893 . 0 0 "[ . 1 .]" 1
19 1 152 VAL HB 1 153 LEU H 4.000 . 5.000 2.553 2.051 4.048 . 0 0 "[ . 1 .]" 1
20 1 149 ILE HA 1 153 LEU H 4.000 . 6.000 4.115 3.258 4.745 . 0 0 "[ . 1 .]" 1
21 1 52 ASP H 1 55 ILE HB 4.000 . 6.000 4.860 4.256 5.486 . 0 0 "[ . 1 .]" 1
22 1 52 ASP H 1 55 ILE H 4.000 . 6.000 5.457 4.881 5.675 . 0 0 "[ . 1 .]" 1
23 1 50 ILE HA 1 52 ASP H 4.000 . 6.000 4.092 3.474 4.620 . 0 0 "[ . 1 .]" 1
24 1 52 ASP H 1 56 LEU HG 4.000 . 6.000 5.093 3.179 6.036 0.036 1 0 "[ . 1 .]" 1
25 1 50 ILE MG 1 52 ASP H 4.000 . 6.000 2.293 1.569 2.860 0.231 1 0 "[ . 1 .]" 1
26 1 51 ASN H 1 52 ASP H 3.000 . 5.000 2.361 1.790 3.129 0.010 5 0 "[ . 1 .]" 1
27 1 52 ASP H 1 53 THR H 4.000 . 6.000 4.233 3.855 4.520 . 0 0 "[ . 1 .]" 1
28 1 154 GLU H 1 155 ALA H 4.000 . 6.000 2.886 2.658 3.077 . 0 0 "[ . 1 .]" 1
29 1 154 GLU QB 1 155 ALA H 4.000 . 6.000 2.389 2.085 2.768 . 0 0 "[ . 1 .]" 1
30 1 48 THR H 1 50 ILE H 4.000 . 6.000 3.813 3.579 4.011 . 0 0 "[ . 1 .]" 1
31 1 50 ILE H 1 50 ILE HB 4.000 . 6.000 2.444 2.181 2.655 . 0 0 "[ . 1 .]" 1
32 1 48 THR MG 1 50 ILE H 4.000 . 6.000 2.361 2.034 2.860 . 0 0 "[ . 1 .]" 1
33 1 47 ILE MD 1 50 ILE H 4.000 . 6.000 4.769 4.356 4.926 . 0 0 "[ . 1 .]" 1
34 1 49 GLY H 1 50 ILE H 4.000 . 6.000 2.722 2.489 2.993 . 0 0 "[ . 1 .]" 1
35 1 48 THR HA 1 50 ILE H 4.000 . 6.000 4.565 4.066 4.819 . 0 0 "[ . 1 .]" 1
36 1 50 ILE H 1 50 ILE QG 4.000 . 6.000 2.494 1.848 3.625 . 0 0 "[ . 1 .]" 1
37 1 44 LEU HA 1 48 THR H 4.000 . 6.000 3.762 3.508 4.002 . 0 0 "[ . 1 .]" 1
38 1 48 THR H 1 48 THR MG 4.000 . 6.000 1.659 1.537 1.982 0.263 13 0 "[ . 1 .]" 1
39 1 48 THR H 1 48 THR HB 4.000 . 6.000 3.024 2.813 3.281 . 0 0 "[ . 1 .]" 1
40 1 47 ILE MD 1 48 THR H 4.000 . 6.000 2.182 1.647 2.857 0.153 2 0 "[ . 1 .]" 1
41 1 48 THR H 1 49 GLY H 4.000 . 6.000 2.424 2.295 2.515 . 0 0 "[ . 1 .]" 1
42 1 47 ILE HB 1 48 THR H 4.000 . 6.000 2.749 2.129 3.963 . 0 0 "[ . 1 .]" 1
43 1 47 ILE MG 1 48 THR H 4.000 . 6.000 3.645 3.350 3.793 . 0 0 "[ . 1 .]" 1
44 1 47 ILE QG 1 48 THR H 4.000 . 6.000 3.161 1.686 4.081 0.114 10 0 "[ . 1 .]" 1
45 1 48 THR H 1 71 VAL QG 4.000 . 6.000 3.161 2.520 3.887 . 0 0 "[ . 1 .]" 1
46 1 112 ILE QG 1 113 ASP H . . 2.700 1.647 1.593 1.748 0.207 4 0 "[ . 1 .]" 1
47 1 112 ILE H 1 113 ASP H 4.000 . 6.000 4.351 4.253 4.606 . 0 0 "[ . 1 .]" 1
48 1 112 ILE HB 1 113 ASP H . . 3.300 3.452 3.403 3.518 0.218 12 0 "[ . 1 .]" 1
49 1 112 ILE HA 1 113 ASP H . . 2.700 2.670 2.347 2.816 0.116 2 0 "[ . 1 .]" 1
50 1 128 LEU H 1 128 LEU HG 4.000 . 6.000 3.872 2.024 4.456 . 0 0 "[ . 1 .]" 1
51 1 127 ALA MB 1 128 LEU H 4.000 . 6.000 2.342 2.125 2.667 . 0 0 "[ . 1 .]" 1
52 1 78 ASN QB 1 79 ALA H 4.000 . 6.000 2.772 1.825 3.987 . 0 0 "[ . 1 .]" 1
53 1 79 ALA H 1 80 LYS H 4.000 . 6.000 3.712 1.784 4.633 0.016 5 0 "[ . 1 .]" 1
54 1 77 LYS QB 1 78 ASN H 4.000 . 6.000 2.733 1.709 3.973 0.091 1 0 "[ . 1 .]" 1
55 1 77 LYS HA 1 78 ASN H 4.000 . 6.000 2.854 2.153 3.576 . 0 0 "[ . 1 .]" 1
56 1 78 ASN H 1 79 ALA MB 4.000 . 6.000 4.322 3.539 4.867 . 0 0 "[ . 1 .]" 1
57 1 21 MET H 1 21 MET QB . . 2.700 2.754 2.121 3.445 0.745 6 2 "[ - .+ 1 .]" 1
58 1 153 LEU HA 1 154 GLU H 4.000 . 4.000 3.561 3.513 3.576 . 0 0 "[ . 1 .]" 1
59 1 154 GLU H 1 154 GLU QG 4.000 . 6.000 3.292 2.088 4.019 . 0 0 "[ . 1 .]" 1
60 1 75 THR H 1 76 ALA MB 4.000 . 6.000 4.059 3.972 4.202 . 0 0 "[ . 1 .]" 1
61 1 73 PHE H 1 75 THR H 4.000 . 6.000 4.431 4.184 4.633 . 0 0 "[ . 1 .]" 1
62 1 75 THR H 1 76 ALA H 4.000 . 6.000 2.439 2.197 2.604 . 0 0 "[ . 1 .]" 1
63 1 75 THR H 1 75 THR MG 4.000 . 6.000 1.740 1.604 2.020 0.196 5 0 "[ . 1 .]" 1
64 1 72 ALA HA 1 75 THR H 4.000 . 6.000 3.274 2.954 3.595 . 0 0 "[ . 1 .]" 1
65 1 74 LEU QB 1 75 THR H 4.000 . 6.000 2.329 2.211 2.512 . 0 0 "[ . 1 .]" 1
66 1 73 PHE HA 1 75 THR H 4.000 . 5.000 4.983 4.831 5.058 0.058 14 0 "[ . 1 .]" 1
67 1 71 VAL QG 1 75 THR H 4.000 . 6.000 3.586 3.213 3.909 . 0 0 "[ . 1 .]" 1
68 1 74 LEU QD 1 75 THR H 4.000 . 6.000 3.662 3.368 3.982 . 0 0 "[ . 1 .]" 1
69 1 71 VAL HA 1 75 THR H 4.000 4.000 5.200 4.345 3.965 4.647 0.035 4 0 "[ . 1 .]" 1
70 1 73 PHE QB 1 75 THR H 4.000 . 6.000 5.014 4.887 5.145 . 0 0 "[ . 1 .]" 1
71 1 32 ALA H 1 32 ALA MB 3.000 . 5.000 2.166 2.035 2.238 . 0 0 "[ . 1 .]" 1
72 1 31 SER QB 1 32 ALA H 4.000 . 6.000 3.283 1.991 4.020 . 0 0 "[ . 1 .]" 1
73 1 32 ALA H 1 33 ALA H 3.000 . 5.000 2.569 2.332 2.801 . 0 0 "[ . 1 .]" 1
74 1 60 LEU QD 1 64 ASN H 4.000 . 6.000 3.238 2.557 4.227 . 0 0 "[ . 1 .]" 1
75 1 63 SER H 1 64 ASN H 4.000 . 6.000 2.520 2.202 2.941 . 0 0 "[ . 1 .]" 1
76 1 64 ASN H 1 65 GLY H 4.000 . 6.000 2.656 2.376 3.060 . 0 0 "[ . 1 .]" 1
77 1 62 ASP H 1 64 ASN H 4.000 . 6.000 3.933 3.647 4.206 . 0 0 "[ . 1 .]" 1
78 1 64 ASN H 1 66 ASN H 4.000 . 6.000 3.949 3.719 4.308 . 0 0 "[ . 1 .]" 1
79 1 61 LYS HA 1 64 ASN H 5.000 2.800 6.000 3.943 3.548 4.574 . 0 0 "[ . 1 .]" 1
80 1 86 GLU QB 1 88 THR H 4.000 . 6.000 4.655 2.760 5.347 . 0 0 "[ . 1 .]" 1
81 1 88 THR H 1 89 TYR QB 4.000 . 6.000 4.762 3.589 5.327 . 0 0 "[ . 1 .]" 1
82 1 158 ALA MB 1 159 GLU H 4.000 . 6.000 2.942 1.761 3.728 0.039 1 0 "[ . 1 .]" 1
83 1 159 GLU H 1 159 GLU QG 4.000 . 6.000 3.724 2.300 4.136 . 0 0 "[ . 1 .]" 1
84 1 159 GLU H 1 159 GLU QB . . 2.700 2.297 2.070 2.520 . 0 0 "[ . 1 .]" 1
85 1 61 LYS H 1 61 LYS QG 4.000 . 6.000 3.009 1.899 4.027 . 0 0 "[ . 1 .]" 1
86 1 60 LEU QD 1 61 LYS H 4.000 . 6.000 2.827 2.229 3.629 . 0 0 "[ . 1 .]" 1
87 1 61 LYS H 1 62 ASP QB 4.000 . 6.000 4.679 4.376 5.103 . 0 0 "[ . 1 .]" 1
88 1 61 LYS H 1 62 ASP HA 4.000 3.800 5.300 5.332 5.248 5.417 0.117 2 0 "[ . 1 .]" 1
89 1 61 LYS H 1 62 ASP H 4.000 . 6.000 2.718 2.604 2.857 . 0 0 "[ . 1 .]" 1
90 1 61 LYS H 1 61 LYS QD 4.000 . 6.000 3.822 2.147 4.432 . 0 0 "[ . 1 .]" 1
91 1 60 LEU HG 1 61 LYS H 4.000 . 6.000 4.168 2.522 4.875 . 0 0 "[ . 1 .]" 1
92 1 152 VAL H 1 152 VAL HB 4.000 . 6.000 2.566 2.202 2.831 . 0 0 "[ . 1 .]" 1
93 1 149 ILE HA 1 152 VAL H 4.000 . 5.000 3.773 3.355 4.419 . 0 0 "[ . 1 .]" 1
94 1 58 GLN H 1 58 GLN QG 4.000 . 6.000 3.636 2.645 4.054 . 0 0 "[ . 1 .]" 1
95 1 55 ILE H 1 58 GLN H 4.000 . 6.000 4.873 4.690 5.146 . 0 0 "[ . 1 .]" 1
96 1 58 GLN H 1 59 ALA H 4.000 . 6.000 2.424 2.315 2.513 . 0 0 "[ . 1 .]" 1
97 1 56 LEU QB 1 58 GLN H 4.000 . 6.000 4.230 4.065 4.500 . 0 0 "[ . 1 .]" 1
98 1 54 GLN HA 1 58 GLN H 4.000 . 6.000 4.475 4.205 4.676 . 0 0 "[ . 1 .]" 1
99 1 57 GLN H 1 58 GLN H 4.000 . 6.000 2.685 2.264 2.816 . 0 0 "[ . 1 .]" 1
100 1 58 GLN H 1 59 ALA MB 4.000 . 6.000 4.092 3.989 4.162 . 0 0 "[ . 1 .]" 1
101 1 57 GLN QB 1 58 GLN H 4.000 . 6.000 3.217 2.766 3.595 . 0 0 "[ . 1 .]" 1
102 1 55 ILE MG 1 58 GLN H 4.000 . 6.000 4.575 4.375 4.907 . 0 0 "[ . 1 .]" 1
103 1 106 GLN QB 1 107 ALA H . . 3.300 2.181 1.732 2.879 0.068 6 0 "[ . 1 .]" 1
104 1 163 CYS QB 1 164 LEU H 4.000 . 6.000 2.824 1.691 3.920 0.109 8 0 "[ . 1 .]" 1
105 1 163 CYS HA 1 164 LEU H 4.000 . 6.000 2.744 2.144 3.556 . 0 0 "[ . 1 .]" 1
106 1 97 ASN H 1 98 ASP H 4.000 . 6.000 3.564 1.994 4.601 . 0 0 "[ . 1 .]" 1
107 1 135 ARG QB 1 136 ALA H 4.000 . 6.000 2.866 2.488 3.558 . 0 0 "[ . 1 .]" 1
108 1 133 SER HA 1 136 ALA H 4.000 . 6.000 2.669 2.497 2.957 . 0 0 "[ . 1 .]" 1
109 1 82 PRO QD 1 83 GLN H 4.000 . 5.000 2.890 1.947 4.362 . 0 0 "[ . 1 .]" 1
110 1 82 PRO HA 1 83 GLN H 4.000 . 6.000 3.293 2.671 3.562 . 0 0 "[ . 1 .]" 1
111 1 114 LEU H 1 115 THR MG 4.000 . 6.000 3.258 2.844 4.298 . 0 0 "[ . 1 .]" 1
112 1 113 ASP QB 1 114 LEU H 4.000 . 6.000 2.893 1.710 3.681 0.090 3 0 "[ . 1 .]" 1
113 1 98 ASP HA 1 99 ARG H . . 2.700 2.367 2.160 2.713 0.013 2 0 "[ . 1 .]" 1
114 1 34 GLN H 1 35 LYS H 4.000 . 6.000 2.677 2.414 2.902 . 0 0 "[ . 1 .]" 1
115 1 34 GLN H 1 34 GLN QG 4.000 . 6.000 3.129 1.841 4.058 . 0 0 "[ . 1 .]" 1
116 1 71 VAL H 1 71 VAL HB 4.000 . 6.000 2.487 2.068 2.757 . 0 0 "[ . 1 .]" 1
117 1 69 LEU QB 1 71 VAL H 4.000 . 6.000 4.849 4.239 5.441 . 0 0 "[ . 1 .]" 1
118 1 69 LEU HA 1 71 VAL H 4.000 . 6.000 4.661 4.056 4.952 . 0 0 "[ . 1 .]" 1
119 1 48 THR MG 1 71 VAL H 4.000 . 6.000 4.815 4.329 4.973 . 0 0 "[ . 1 .]" 1
120 1 68 GLU HA 1 71 VAL H 4.000 . 6.000 3.885 3.647 4.010 . 0 0 "[ . 1 .]" 1
121 1 67 LEU HG 1 71 VAL H 4.000 . 6.000 4.802 3.105 6.068 0.068 1 0 "[ . 1 .]" 1
122 1 68 GLU QG 1 71 VAL H 4.000 . 6.000 5.446 5.363 5.495 . 0 0 "[ . 1 .]" 1
123 1 44 LEU QD 1 71 VAL H 4.000 . 6.000 2.671 2.245 3.649 . 0 0 "[ . 1 .]" 1
124 1 70 ALA MB 1 71 VAL H 4.000 . 6.000 2.342 2.168 2.579 . 0 0 "[ . 1 .]" 1
125 1 71 VAL H 1 71 VAL QG 4.000 . 6.000 2.077 1.782 2.750 0.018 11 0 "[ . 1 .]" 1
126 1 71 VAL H 1 72 ALA H 4.000 . 6.000 2.751 2.631 2.950 . 0 0 "[ . 1 .]" 1
127 1 69 LEU H 1 71 VAL H 4.000 . 6.000 3.945 3.518 4.325 . 0 0 "[ . 1 .]" 1
128 1 67 LEU QD 1 71 VAL H 4.000 . 6.000 2.626 2.303 3.066 . 0 0 "[ . 1 .]" 1
129 1 107 ALA MB 1 109 THR H 4.000 . 5.000 3.323 2.232 4.045 . 0 0 "[ . 1 .]" 1
130 1 109 THR H 1 110 ASN H 4.000 . 5.000 4.192 3.168 4.660 . 0 0 "[ . 1 .]" 1
131 1 108 ASP H 1 109 THR H 4.000 . 5.000 2.842 1.802 4.003 . 0 0 "[ . 1 .]" 1
132 1 108 ASP HA 1 109 THR H 4.000 . 5.000 3.004 2.233 3.575 . 0 0 "[ . 1 .]" 1
133 1 109 THR H 1 109 THR MG 4.000 . 5.000 3.074 1.808 4.042 . 0 0 "[ . 1 .]" 1
134 1 125 ALA MB 1 126 ILE H 4.000 . 5.000 2.371 2.175 2.652 . 0 0 "[ . 1 .]" 1
135 1 125 ALA H 1 126 ILE H 4.000 . 5.000 2.835 2.648 2.989 . 0 0 "[ . 1 .]" 1
136 1 126 ILE H 1 126 ILE QG 4.000 . 5.000 1.656 1.600 1.740 0.200 14 0 "[ . 1 .]" 1
137 1 126 ILE H 1 126 ILE HB 4.000 . 5.000 3.136 2.796 3.472 . 0 0 "[ . 1 .]" 1
138 1 91 GLN QG 1 92 THR H 4.000 . 5.000 3.310 1.974 4.480 . 0 0 "[ . 1 .]" 1
139 1 92 THR H 1 93 ALA MB 4.000 . 6.000 4.251 3.431 4.807 . 0 0 "[ . 1 .]" 1
140 1 92 THR H 1 93 ALA H 4.000 . 6.000 3.180 1.794 4.646 0.006 7 0 "[ . 1 .]" 1
141 1 129 SER HA 1 132 GLU H 4.000 . 5.000 3.020 2.881 3.197 . 0 0 "[ . 1 .]" 1
142 1 131 ALA H 1 132 GLU H 4.000 . 5.000 2.554 2.401 2.680 . 0 0 "[ . 1 .]" 1
143 1 131 ALA MB 1 132 GLU H 4.000 . 5.000 2.206 2.109 2.511 . 0 0 "[ . 1 .]" 1
144 1 101 ILE QG 1 102 SER H 4.000 . 5.000 4.113 1.743 4.546 0.057 1 0 "[ . 1 .]" 1
145 1 101 ILE HB 1 102 SER H 4.000 . 5.000 3.482 1.831 4.410 . 0 0 "[ . 1 .]" 1
146 1 52 ASP QB 1 55 ILE H 4.000 . 6.000 2.521 2.246 2.784 . 0 0 "[ . 1 .]" 1
147 1 55 ILE H 1 55 ILE HB 4.000 . 6.000 2.514 2.241 2.762 . 0 0 "[ . 1 .]" 1
148 1 54 GLN QB 1 55 ILE H 4.000 2.800 4.300 2.634 2.339 3.264 0.461 10 0 "[ . 1 .]" 1
149 1 55 ILE H 1 56 LEU H 4.000 . 6.000 2.600 2.464 2.769 . 0 0 "[ . 1 .]" 1
150 1 54 GLN H 1 55 ILE H 4.000 . 6.000 2.637 2.449 2.782 . 0 0 "[ . 1 .]" 1
151 1 53 THR H 1 55 ILE H 4.000 . 6.000 4.419 4.191 4.680 . 0 0 "[ . 1 .]" 1
152 1 55 ILE H 1 55 ILE MG 4.000 . 6.000 3.721 3.642 3.760 . 0 0 "[ . 1 .]" 1
153 1 71 VAL HB 1 73 PHE H 4.000 . 6.000 5.463 5.139 5.663 . 0 0 "[ . 1 .]" 1
154 1 73 PHE H 1 74 LEU HG 4.000 . 6.000 5.542 4.150 6.130 0.130 7 0 "[ . 1 .]" 1
155 1 72 ALA MB 1 73 PHE H 4.000 . 6.000 2.624 2.434 2.916 . 0 0 "[ . 1 .]" 1
156 1 69 LEU QD 1 73 PHE H 5.000 . 6.000 4.407 3.985 4.546 . 0 0 "[ . 1 .]" 1
157 1 73 PHE H 1 74 LEU QB 4.000 . 6.000 4.614 4.413 4.893 . 0 0 "[ . 1 .]" 1
158 1 70 ALA HA 1 73 PHE H 3.000 . 5.000 3.293 2.681 3.571 . 0 0 "[ . 1 .]" 1
159 1 73 PHE H 1 73 PHE QD 4.000 . 6.000 3.180 2.777 3.474 . 0 0 "[ . 1 .]" 1
160 1 73 PHE H 1 74 LEU H 4.000 . 6.000 2.643 2.522 2.795 . 0 0 "[ . 1 .]" 1
161 1 72 ALA H 1 73 PHE H 3.000 . 5.000 2.718 2.588 2.881 . 0 0 "[ . 1 .]" 1
162 1 73 PHE H 1 74 LEU QD 4.000 . 6.000 3.606 2.963 4.572 . 0 0 "[ . 1 .]" 1
163 1 73 PHE H 1 74 LEU HA 4.000 . 6.000 5.280 5.175 5.395 . 0 0 "[ . 1 .]" 1
164 1 75 THR MG 1 76 ALA H 4.000 . 6.000 2.322 1.680 3.456 0.120 11 0 "[ . 1 .]" 1
165 1 74 LEU QB 1 76 ALA H 4.000 . 6.000 4.451 4.229 4.616 . 0 0 "[ . 1 .]" 1
166 1 73 PHE HA 1 76 ALA H 3.000 . 5.000 4.292 3.977 4.398 . 0 0 "[ . 1 .]" 1
167 1 71 VAL QG 1 76 ALA H 4.000 . 6.000 4.393 3.945 4.540 . 0 0 "[ . 1 .]" 1
168 1 74 LEU H 1 76 ALA H 4.000 . 6.000 3.780 3.439 3.983 . 0 0 "[ . 1 .]" 1
169 1 76 ALA H 1 77 LYS H 4.000 . 6.000 3.834 2.940 4.658 . 0 0 "[ . 1 .]" 1
170 1 73 PHE QB 1 76 ALA H 4.000 . 6.000 5.365 5.132 5.425 . 0 0 "[ . 1 .]" 1
171 1 121 ASP QB 1 122 LEU H 4.000 . 5.000 2.769 2.184 3.614 . 0 0 "[ . 1 .]" 1
172 1 122 LEU H 1 124 ARG H 4.000 . 5.000 3.721 3.570 3.903 . 0 0 "[ . 1 .]" 1
173 1 35 LYS H 1 35 LYS QD 4.000 . 6.000 4.158 3.049 4.693 . 0 0 "[ . 1 .]" 1
174 1 35 LYS H 1 35 LYS QG 4.000 . 6.000 3.349 1.681 4.021 0.119 10 0 "[ . 1 .]" 1
175 1 34 GLN QG 1 35 LYS H 4.000 . 6.000 3.722 1.747 4.696 0.053 2 0 "[ . 1 .]" 1
176 1 34 GLN QB 1 35 LYS H 4.000 . 6.000 3.012 2.586 3.670 . 0 0 "[ . 1 .]" 1
177 1 35 LYS H 1 36 HIS QB 4.000 . 6.000 4.301 4.000 4.508 . 0 0 "[ . 1 .]" 1
178 1 124 ARG QB 1 125 ALA H . . 3.300 2.700 2.427 2.866 . 0 0 "[ . 1 .]" 1
179 1 124 ARG H 1 125 ALA H 4.000 . 5.000 2.302 2.241 2.384 . 0 0 "[ . 1 .]" 1
180 1 149 ILE H 1 149 ILE HB 4.000 . 6.000 2.715 2.274 3.593 . 0 0 "[ . 1 .]" 1
181 1 148 ALA H 1 149 ILE H 3.000 . 5.000 2.925 2.562 3.144 . 0 0 "[ . 1 .]" 1
182 1 103 VAL H 1 103 VAL HB 4.000 . 5.000 3.326 2.475 3.958 . 0 0 "[ . 1 .]" 1
183 1 103 VAL H 1 104 GLY H 4.000 . 5.000 4.083 2.852 4.570 . 0 0 "[ . 1 .]" 1
184 1 103 VAL H 1 103 VAL QG 4.000 . 5.000 2.045 1.633 2.443 0.167 1 0 "[ . 1 .]" 1
185 1 38 GLN QB 1 42 ASN H 4.000 . 6.000 4.855 4.263 5.191 . 0 0 "[ . 1 .]" 1
186 1 41 LEU H 1 42 ASN H 3.000 . 5.000 2.674 2.544 2.783 . 0 0 "[ . 1 .]" 1
187 1 41 LEU QB 1 42 ASN H 4.000 . 6.000 2.489 2.312 2.782 . 0 0 "[ . 1 .]" 1
188 1 40 PHE HA 1 42 ASN H 4.000 . 5.000 4.670 4.442 4.954 . 0 0 "[ . 1 .]" 1
189 1 25 GLN H 1 25 GLN QG 4.000 . 6.000 3.447 2.259 4.207 . 0 0 "[ . 1 .]" 1
190 1 24 GLU HA 1 25 GLN H 4.000 . 6.000 2.662 2.145 3.548 . 0 0 "[ . 1 .]" 1
191 1 25 GLN H 1 26 ASN H 4.000 . 6.000 3.957 2.182 4.642 . 0 0 "[ . 1 .]" 1
192 1 140 THR MG 1 141 GLY H 4.000 . 5.000 3.612 1.697 4.176 0.103 14 0 "[ . 1 .]" 1
193 1 140 THR H 1 141 GLY H 4.000 . 5.000 4.221 2.963 4.646 . 0 0 "[ . 1 .]" 1
194 1 141 GLY H 1 142 ILE H 4.000 . 5.000 3.294 1.907 4.502 . 0 0 "[ . 1 .]" 1
195 1 38 GLN H 1 39 THR H 4.000 . 5.000 2.858 2.486 3.103 . 0 0 "[ . 1 .]" 1
196 1 38 GLN QG 1 39 THR H 4.000 . 5.000 4.220 3.813 4.568 . 0 0 "[ . 1 .]" 1
197 1 39 THR H 1 42 ASN QB 4.000 . 5.000 4.315 4.135 4.496 . 0 0 "[ . 1 .]" 1
198 1 36 HIS HA 1 39 THR H 4.000 . 6.000 3.605 3.319 4.614 . 0 0 "[ . 1 .]" 1
199 1 38 GLN QB 1 39 THR H 4.000 . 5.000 2.484 2.215 2.973 . 0 0 "[ . 1 .]" 1
200 1 39 THR H 1 40 PHE H 4.000 . 5.000 2.540 2.402 2.779 . 0 0 "[ . 1 .]" 1
201 1 39 THR H 1 39 THR MG 4.000 . 5.000 2.877 2.627 3.042 . 0 0 "[ . 1 .]" 1
202 1 36 HIS QB 1 39 THR H 4.000 . 6.000 4.815 4.473 5.094 . 0 0 "[ . 1 .]" 1
203 1 39 THR H 1 39 THR HB 4.000 . 5.000 2.165 2.105 2.249 . 0 0 "[ . 1 .]" 1
204 1 103 VAL HB 1 104 GLY H 4.000 . 5.000 3.561 1.892 4.659 . 0 0 "[ . 1 .]" 1
205 1 103 VAL QG 1 104 GLY H 4.000 . 5.000 3.067 1.927 3.703 . 0 0 "[ . 1 .]" 1
206 1 23 VAL QG 1 24 GLU H 4.000 . 5.000 3.013 1.997 3.722 . 0 0 "[ . 1 .]" 1
207 1 22 THR MG 1 24 GLU H 4.000 . 6.000 4.186 3.378 4.782 . 0 0 "[ . 1 .]" 1
208 1 24 GLU H 1 24 GLU QG 4.000 . 5.000 3.593 1.743 4.200 0.057 6 0 "[ . 1 .]" 1
209 1 22 THR HA 1 24 GLU H 4.000 . 6.000 4.666 3.064 5.978 . 0 0 "[ . 1 .]" 1
210 1 23 VAL H 1 24 GLU H 4.000 . 5.000 3.677 2.830 4.543 . 0 0 "[ . 1 .]" 1
211 1 23 VAL HA 1 24 GLU H . . 3.300 2.691 2.157 3.385 0.085 3 0 "[ . 1 .]" 1
212 1 87 THR H 1 87 THR HB 4.000 . 5.000 3.233 2.399 3.925 . 0 0 "[ . 1 .]" 1
213 1 86 GLU QB 1 87 THR H 4.000 . 5.000 3.120 1.723 4.007 0.077 12 0 "[ . 1 .]" 1
214 1 86 GLU QG 1 87 THR H 4.000 . 5.000 3.441 1.768 4.331 0.032 8 0 "[ . 1 .]" 1
215 1 87 THR H 1 87 THR MG 4.000 . 5.000 3.050 1.715 4.060 0.085 1 0 "[ . 1 .]" 1
216 1 86 GLU HA 1 87 THR H 4.000 . 5.000 2.596 2.151 3.574 . 0 0 "[ . 1 .]" 1
217 1 37 GLN H 1 38 GLN H 4.000 . 6.000 2.779 2.589 2.880 . 0 0 "[ . 1 .]" 1
218 1 36 HIS HA 1 37 GLN H 4.000 . 6.000 3.531 3.445 3.617 . 0 0 "[ . 1 .]" 1
219 1 37 GLN H 1 37 GLN QG 4.000 . 6.000 3.390 2.780 4.054 . 0 0 "[ . 1 .]" 1
220 1 36 HIS QB 1 37 GLN H 4.000 . 6.000 2.641 2.156 3.070 . 0 0 "[ . 1 .]" 1
221 1 22 THR H 1 22 THR MG 4.000 . 6.000 2.989 1.631 4.025 0.169 4 0 "[ . 1 .]" 1
222 1 21 MET QB 1 22 THR H 4.000 . 6.000 2.711 1.685 4.040 0.115 10 0 "[ . 1 .]" 1
223 1 21 MET HA 1 22 THR H 4.000 . 6.000 2.950 2.309 3.555 . 0 0 "[ . 1 .]" 1
224 1 81 THR H 1 82 PRO QB 4.000 . 5.000 4.291 3.997 4.588 . 0 0 "[ . 1 .]" 1
225 1 80 LYS QB 1 81 THR H 4.000 . 5.000 2.583 1.700 3.644 0.100 8 0 "[ . 1 .]" 1
226 1 80 LYS HA 1 81 THR H 4.000 . 5.000 2.915 2.187 3.592 . 0 0 "[ . 1 .]" 1
227 1 81 THR H 1 81 THR MG 4.000 . 5.000 3.699 2.410 4.067 . 0 0 "[ . 1 .]" 1
228 1 81 THR H 1 81 THR HB 4.000 . 6.000 3.565 3.137 3.915 . 0 0 "[ . 1 .]" 1
229 1 81 THR H 1 82 PRO QG 4.000 . 5.000 3.881 3.456 4.315 . 0 0 "[ . 1 .]" 1
230 1 137 PHE HA 1 139 GLU H 4.000 . 6.000 4.486 3.247 5.611 . 0 0 "[ . 1 .]" 1
231 1 138 ARG QG 1 139 GLU H 4.000 . 5.000 3.801 1.688 4.530 0.112 6 0 "[ . 1 .]" 1
232 1 137 PHE QB 1 139 GLU H 4.000 . 6.000 4.298 2.343 5.348 . 0 0 "[ . 1 .]" 1
233 1 138 ARG H 1 139 GLU H 4.000 . 6.000 3.152 2.221 4.220 . 0 0 "[ . 1 .]" 1
234 1 139 GLU H 1 140 THR H 4.000 . 5.000 3.091 2.457 3.906 . 0 0 "[ . 1 .]" 1
235 1 138 ARG QB 1 139 GLU H 4.000 . 5.000 3.297 1.923 3.887 . 0 0 "[ . 1 .]" 1
236 1 137 PHE H 1 139 GLU H 4.000 . 6.000 4.918 3.523 6.039 0.039 11 0 "[ . 1 .]" 1
237 1 40 PHE HZ 1 68 GLU H 4.000 . 6.000 5.658 5.301 6.048 0.048 1 0 "[ . 1 .]" 1
238 1 67 LEU QD 1 68 GLU H 4.000 3.500 5.500 3.262 2.991 3.644 0.509 11 1 "[ . 1+ .]" 1
239 1 68 GLU H 1 69 LEU HA 4.000 . 6.000 5.349 5.306 5.455 . 0 0 "[ . 1 .]" 1
240 1 66 ASN HA 1 68 GLU H 4.000 . 6.000 4.586 4.478 4.696 . 0 0 "[ . 1 .]" 1
241 1 67 LEU QB 1 68 GLU H 4.000 . 6.000 2.091 2.027 2.198 . 0 0 "[ . 1 .]" 1
242 1 67 LEU HG 1 68 GLU H 4.000 . 6.000 4.017 2.774 4.661 . 0 0 "[ . 1 .]" 1
243 1 68 GLU H 1 68 GLU QG 4.000 . 6.000 3.240 2.221 3.956 . 0 0 "[ . 1 .]" 1
244 1 67 LEU H 1 68 GLU H 4.000 . 6.000 2.751 2.674 2.912 . 0 0 "[ . 1 .]" 1
245 1 66 ASN QB 1 68 GLU H 4.000 . 6.000 4.202 4.023 4.365 . 0 0 "[ . 1 .]" 1
246 1 68 GLU H 1 71 VAL QG 4.000 . 6.000 3.881 3.706 4.476 . 0 0 "[ . 1 .]" 1
247 1 68 GLU H 1 69 LEU H 4.000 . 6.000 2.730 2.668 2.890 . 0 0 "[ . 1 .]" 1
248 1 40 PHE QE 1 60 LEU H 4.000 . 6.000 4.117 3.792 4.804 . 0 0 "[ . 1 .]" 1
249 1 41 LEU QD 1 60 LEU H 4.000 . 6.000 3.472 3.225 3.825 . 0 0 "[ . 1 .]" 1
250 1 44 LEU QD 1 60 LEU H 4.000 . 6.000 3.281 2.631 3.776 . 0 0 "[ . 1 .]" 1
251 1 60 LEU H 1 62 ASP H 4.000 . 6.000 4.078 3.795 4.247 . 0 0 "[ . 1 .]" 1
252 1 59 ALA MB 1 60 LEU H 4.000 . 6.000 2.656 2.327 2.960 . 0 0 "[ . 1 .]" 1
253 1 57 GLN HA 1 60 LEU H 4.000 . 6.000 3.525 3.232 3.730 . 0 0 "[ . 1 .]" 1
254 1 157 ILE QG 1 158 ALA H 4.000 . 6.000 3.497 1.707 4.514 0.093 4 0 "[ . 1 .]" 1
255 1 157 ILE HB 1 158 ALA H 4.000 . 6.000 3.727 2.060 4.516 . 0 0 "[ . 1 .]" 1
256 1 157 ILE MG 1 158 ALA H 4.000 . 5.000 3.354 1.923 4.157 . 0 0 "[ . 1 .]" 1
257 1 157 ILE HA 1 158 ALA H 4.000 . 6.000 3.328 2.662 3.576 . 0 0 "[ . 1 .]" 1
258 1 157 ILE H 1 158 ALA H 4.000 . 6.000 2.381 1.801 2.928 . 0 0 "[ . 1 .]" 1
259 1 35 LYS QB 1 36 HIS H 4.000 . 6.000 3.080 2.307 3.683 . 0 0 "[ . 1 .]" 1
260 1 111 VAL HB 1 112 ILE H 4.000 . 5.000 2.291 1.747 2.738 0.053 1 0 "[ . 1 .]" 1
261 1 111 VAL H 1 112 ILE H 4.000 . 5.000 4.142 2.360 4.579 . 0 0 "[ . 1 .]" 1
262 1 129 SER QB 1 130 LEU H 4.000 . 5.000 2.572 2.241 3.378 . 0 0 "[ . 1 .]" 1
263 1 129 SER HA 1 130 LEU H 4.000 . 5.000 3.554 3.541 3.569 . 0 0 "[ . 1 .]" 1
264 1 130 LEU H 1 131 ALA H 4.000 . 5.000 2.683 2.642 2.725 . 0 0 "[ . 1 .]" 1
265 1 130 LEU H 1 130 LEU QB . . 3.300 2.106 2.048 2.199 . 0 0 "[ . 1 .]" 1
266 1 42 ASN QB 1 44 LEU H 4.000 . 6.000 4.865 4.798 4.957 . 0 0 "[ . 1 .]" 1
267 1 40 PHE QD 1 44 LEU H 4.000 . 6.000 4.534 4.061 4.927 . 0 0 "[ . 1 .]" 1
268 1 44 LEU H 1 48 THR MG 4.000 . 6.000 5.009 4.798 5.100 . 0 0 "[ . 1 .]" 1
269 1 42 ASN HA 1 44 LEU H 4.000 . 6.000 4.660 4.472 4.808 . 0 0 "[ . 1 .]" 1
270 1 44 LEU H 1 47 ILE MD 4.000 . 6.000 3.190 2.866 3.830 . 0 0 "[ . 1 .]" 1
271 1 43 GLN H 1 44 LEU H 4.000 . 6.000 2.735 2.584 2.848 . 0 0 "[ . 1 .]" 1
272 1 43 GLN QB 1 44 LEU H 4.000 . 5.000 2.465 2.221 2.662 . 0 0 "[ . 1 .]" 1
273 1 44 LEU H 1 46 GLU H 4.000 . 6.000 3.935 3.706 4.106 . 0 0 "[ . 1 .]" 1
274 1 40 PHE HA 1 44 LEU H 4.000 . 6.000 4.551 4.223 4.839 . 0 0 "[ . 1 .]" 1
275 1 44 LEU H 1 67 LEU QD 4.000 . 6.000 3.085 2.803 3.421 . 0 0 "[ . 1 .]" 1
276 1 59 ALA H 1 60 LEU QB 4.000 . 6.000 4.280 4.120 4.466 . 0 0 "[ . 1 .]" 1
277 1 59 ALA H 1 70 ALA MB 4.000 . 6.000 4.759 4.535 4.880 . 0 0 "[ . 1 .]" 1
278 1 59 ALA H 1 74 LEU QD 4.000 . 6.000 3.813 3.275 4.186 . 0 0 "[ . 1 .]" 1
279 1 44 LEU QB 1 45 ARG H 4.000 . 6.000 2.769 2.284 3.056 . 0 0 "[ . 1 .]" 1
280 1 45 ARG H 1 46 GLU QB 4.000 . 6.000 4.074 3.903 4.268 . 0 0 "[ . 1 .]" 1
281 1 45 ARG H 1 48 THR MG 4.000 . 6.000 4.404 3.943 4.646 . 0 0 "[ . 1 .]" 1
282 1 42 ASN HA 1 45 ARG H 4.000 . 6.000 3.647 3.451 3.802 . 0 0 "[ . 1 .]" 1
283 1 45 ARG H 1 46 GLU HA 4.000 2.800 5.000 4.980 4.880 5.144 0.144 15 0 "[ . 1 .]" 1
284 1 44 LEU QD 1 45 ARG H 4.000 . 6.000 4.118 3.864 4.273 . 0 0 "[ . 1 .]" 1
285 1 45 ARG H 1 46 GLU H 3.000 . 3.300 2.332 2.141 2.591 . 0 0 "[ . 1 .]" 1
286 1 45 ARG H 1 45 ARG QG 4.000 . 6.000 3.870 3.445 4.059 . 0 0 "[ . 1 .]" 1
287 1 27 VAL H 1 27 VAL HB 4.000 . 6.000 3.530 2.619 3.899 . 0 0 "[ . 1 .]" 1
288 1 26 ASN HA 1 27 VAL H 4.000 . 6.000 2.677 2.146 3.572 . 0 0 "[ . 1 .]" 1
289 1 26 ASN H 1 27 VAL H 4.000 . 6.000 3.706 1.881 4.607 . 0 0 "[ . 1 .]" 1
290 1 26 ASN QB 1 27 VAL H 4.000 . 6.000 3.102 1.735 4.044 0.065 12 0 "[ . 1 .]" 1
291 1 27 VAL H 1 27 VAL QG 4.000 . 6.000 2.231 1.611 2.990 0.189 11 0 "[ . 1 .]" 1
292 1 145 GLU H 1 146 GLU H 4.000 . 6.000 2.637 2.354 2.988 . 0 0 "[ . 1 .]" 1
293 1 144 ASP HA 1 146 GLU H 4.000 . 6.000 4.012 3.126 4.987 . 0 0 "[ . 1 .]" 1
294 1 43 GLN H 1 44 LEU QB 4.000 . 6.000 4.390 4.275 4.565 . 0 0 "[ . 1 .]" 1
295 1 40 PHE QB 1 43 GLN H 4.000 . 6.000 4.957 4.844 5.075 . 0 0 "[ . 1 .]" 1
296 1 42 ASN QB 1 43 GLN H 4.000 . 5.000 2.563 2.436 2.716 . 0 0 "[ . 1 .]" 1
297 1 43 GLN H 1 43 GLN QB 3.000 2.800 3.300 2.196 2.094 2.545 0.706 5 12 "[****+-* 1*****]" 1
298 1 39 THR MG 1 43 GLN H 4.000 . 6.000 4.233 3.864 4.457 . 0 0 "[ . 1 .]" 1
299 1 43 GLN H 1 67 LEU QD 4.000 . 6.000 4.063 3.655 4.191 . 0 0 "[ . 1 .]" 1
300 1 49 GLY H 1 50 ILE HB 4.000 . 6.000 4.918 4.400 5.276 . 0 0 "[ . 1 .]" 1
301 1 48 THR MG 1 49 GLY H 4.000 . 6.000 2.887 2.562 3.020 . 0 0 "[ . 1 .]" 1
302 1 47 ILE HB 1 49 GLY H 4.000 . 6.000 4.683 4.253 5.515 . 0 0 "[ . 1 .]" 1
303 1 46 GLU HA 1 49 GLY H 4.000 . 6.000 3.810 3.538 4.259 . 0 0 "[ . 1 .]" 1
304 1 47 ILE MG 1 49 GLY H 4.000 . 6.000 4.929 4.715 5.059 . 0 0 "[ . 1 .]" 1
305 1 49 GLY H 1 50 ILE QG 4.000 . 6.000 4.335 3.494 5.349 . 0 0 "[ . 1 .]" 1
306 1 94 LEU QB 1 96 GLY H 4.000 . 5.000 3.738 2.806 4.504 . 0 0 "[ . 1 .]" 1
307 1 40 PHE H 1 40 PHE QB 3.000 . 3.300 2.225 2.120 2.266 . 0 0 "[ . 1 .]" 1
308 1 40 PHE H 1 40 PHE QD 4.000 . 6.000 4.133 4.015 4.182 . 0 0 "[ . 1 .]" 1
309 1 36 HIS HA 1 40 PHE H 4.000 . 6.000 4.331 3.491 5.269 . 0 0 "[ . 1 .]" 1
310 1 39 THR MG 1 40 PHE H 3.000 . 3.300 1.864 1.628 2.238 0.172 1 0 "[ . 1 .]" 1
311 1 39 THR HA 1 40 PHE H 3.000 . 3.300 3.491 3.452 3.518 0.218 1 0 "[ . 1 .]" 1
312 1 40 PHE H 1 41 LEU H 3.000 . 3.300 2.936 2.701 3.063 . 0 0 "[ . 1 .]" 1
313 1 39 THR HB 1 40 PHE H . 3.300 3.300 3.335 3.291 3.385 0.085 5 0 "[ . 1 .]" 1
314 1 145 GLU H 1 145 GLU QG 4.000 . 6.000 2.854 1.683 4.060 0.117 7 0 "[ . 1 .]" 1
315 1 144 ASP H 1 145 GLU H 3.000 . 5.000 2.985 1.850 4.615 . 0 0 "[ . 1 .]" 1
316 1 144 ASP HA 1 145 GLU H 3.000 . 5.000 2.907 2.143 3.535 . 0 0 "[ . 1 .]" 1
317 1 135 ARG H 1 135 ARG QD 3.000 . 3.300 2.642 2.086 2.996 . 0 0 "[ . 1 .]" 1
318 1 133 SER HA 1 135 ARG H 3.000 . 3.300 3.329 3.311 3.371 0.071 15 0 "[ . 1 .]" 1
319 1 126 ILE QG 1 127 ALA H 3.500 2.300 3.800 3.275 2.748 3.558 . 0 0 "[ . 1 .]" 1
320 1 126 ILE HB 1 127 ALA H 3.000 . 3.300 2.765 2.106 3.328 0.028 15 0 "[ . 1 .]" 1
321 1 126 ILE HA 1 127 ALA H 3.000 . 3.300 3.459 3.441 3.483 0.183 2 0 "[ . 1 .]" 1
322 1 127 ALA H 1 127 ALA MB 3.000 . 3.300 2.221 2.104 2.270 . 0 0 "[ . 1 .]" 1
323 1 127 ALA H 1 127 ALA HA . . 2.700 2.786 2.726 2.836 0.136 6 0 "[ . 1 .]" 1
324 1 100 TYR QB 1 101 ILE H 4.000 2.800 4.300 2.448 1.975 2.983 0.825 1 5 "[+ ** * -]" 1
325 1 100 TYR QD 1 101 ILE H 4.000 . 6.000 3.390 1.894 4.555 0.106 10 0 "[ . 1 .]" 1
326 1 100 TYR H 1 101 ILE H 4.000 2.800 4.300 3.778 2.784 4.426 0.126 1 0 "[ . 1 .]" 1
327 1 101 ILE H 1 102 SER H 4.000 . 6.000 3.881 2.808 4.516 . 0 0 "[ . 1 .]" 1
328 1 118 ASP H 1 119 LYS H 4.000 . 5.000 4.267 3.661 4.649 . 0 0 "[ . 1 .]" 1
329 1 129 SER HA 1 131 ALA H 3.000 . 3.300 3.422 3.400 3.459 0.159 15 0 "[ . 1 .]" 1
330 1 130 LEU QB 1 131 ALA H 3.000 . 3.300 3.051 2.977 3.102 . 0 0 "[ . 1 .]" 1
331 1 121 ASP QB 1 123 GLN H 4.000 . 6.000 4.843 4.417 5.407 . 0 0 "[ . 1 .]" 1
332 1 122 LEU HA 1 123 GLN H 3.000 . 3.300 3.495 3.453 3.518 0.218 13 0 "[ . 1 .]" 1
333 1 122 LEU QD 1 123 GLN H 4.000 . 6.000 3.057 2.094 3.830 . 0 0 "[ . 1 .]" 1
334 1 123 GLN H 1 124 ARG QB 4.000 . 6.000 4.348 4.212 4.442 . 0 0 "[ . 1 .]" 1
335 1 123 GLN H 1 123 GLN QB 3.000 . 3.300 2.096 2.043 2.170 . 0 0 "[ . 1 .]" 1
336 1 123 GLN H 1 124 ARG H 3.500 2.300 3.800 2.616 2.496 2.674 . 0 0 "[ . 1 .]" 1
337 1 147 GLN H 1 148 ALA H 3.000 . 5.000 2.583 2.391 2.782 . 0 0 "[ . 1 .]" 1
338 1 30 GLN H 1 30 GLN QG 4.000 . 6.000 2.900 1.685 4.181 0.115 9 0 "[ . 1 .]" 1
339 1 29 GLN HA 1 30 GLN H 4.000 . 6.000 2.624 2.147 3.573 . 0 0 "[ . 1 .]" 1
340 1 105 SER H 1 106 GLN H 3.000 . 3.300 2.677 2.126 3.218 . 0 0 "[ . 1 .]" 1
341 1 113 ASP QB 1 116 GLY H 3.000 . 3.300 2.476 1.735 2.990 0.065 5 0 "[ . 1 .]" 1
342 1 113 ASP HA 1 116 GLY H 4.000 . 6.000 4.401 3.494 5.292 . 0 0 "[ . 1 .]" 1
343 1 116 GLY H 1 117 ASP H 3.000 . 3.300 2.802 2.116 3.311 0.011 9 0 "[ . 1 .]" 1
344 1 115 THR MG 1 116 GLY H 3.000 . 3.300 2.011 1.639 2.462 0.161 6 0 "[ . 1 .]" 1
345 1 114 LEU QB 1 116 GLY H 4.000 . 6.000 4.920 4.374 5.304 . 0 0 "[ . 1 .]" 1
346 1 154 GLU H 1 156 SER H 4.000 . 6.000 4.139 3.767 5.018 . 0 0 "[ . 1 .]" 1
347 1 155 ALA MB 1 156 SER H 4.000 . 6.000 2.777 2.020 3.417 . 0 0 "[ . 1 .]" 1
348 1 156 SER H 1 156 SER QB 3.000 . 3.300 2.435 2.065 2.909 . 0 0 "[ . 1 .]" 1
349 1 156 SER H 1 157 ILE H 4.000 . 6.000 2.455 1.794 2.955 0.006 12 0 "[ . 1 .]" 1
350 1 60 LEU QD 1 63 SER H 4.000 . 6.000 3.919 3.616 4.434 . 0 0 "[ . 1 .]" 1
351 1 62 ASP QB 1 63 SER H 4.000 . 5.000 2.898 2.470 3.615 . 0 0 "[ . 1 .]" 1
352 1 63 SER H 1 73 PHE HZ 4.000 . 6.000 5.353 4.903 5.520 . 0 0 "[ . 1 .]" 1
353 1 63 SER H 1 73 PHE QE 4.000 . 5.000 4.145 2.683 4.890 . 0 0 "[ . 1 .]" 1
354 1 63 SER H 1 70 ALA HA 4.000 . 6.000 4.440 3.883 5.160 . 0 0 "[ . 1 .]" 1
355 1 63 SER H 1 65 GLY H 4.000 . 6.000 4.195 3.765 4.892 . 0 0 "[ . 1 .]" 1
356 1 63 SER H 1 70 ALA MB 4.000 . 6.000 4.281 4.020 4.543 . 0 0 "[ . 1 .]" 1
357 1 62 ASP H 1 63 SER H 4.000 . 6.000 2.376 2.270 2.525 . 0 0 "[ . 1 .]" 1
358 1 59 ALA HA 1 63 SER H 4.000 . 6.000 4.092 3.577 4.442 . 0 0 "[ . 1 .]" 1
359 1 104 GLY H 1 105 SER H 3.000 . 3.300 2.832 2.087 3.303 0.003 5 0 "[ . 1 .]" 1
360 1 162 ALA MB 1 163 CYS H 4.000 . 6.000 2.878 1.665 3.596 0.135 13 0 "[ . 1 .]" 1
361 1 129 SER H 1 129 SER QB 3.000 . 3.300 2.414 2.064 2.923 . 0 0 "[ . 1 .]" 1
362 1 129 SER H 1 129 SER HA 3.000 . 3.300 2.846 2.803 2.881 . 0 0 "[ . 1 .]" 1
363 1 128 LEU QB 1 129 SER H 3.000 . 3.300 2.592 2.251 2.749 . 0 0 "[ . 1 .]" 1
364 1 127 ALA MB 1 129 SER H 4.500 3.500 5.500 4.422 4.210 4.601 . 0 0 "[ . 1 .]" 1
365 1 90 TYR H 1 90 TYR QB 3.000 . 3.300 2.601 2.049 2.994 . 0 0 "[ . 1 .]" 1
366 1 89 TYR H 1 90 TYR H 4.000 2.800 5.000 3.908 2.901 4.641 . 0 0 "[ . 1 .]" 1
367 1 109 THR MG 1 110 ASN H 3.000 . 5.000 3.442 2.070 4.212 . 0 0 "[ . 1 .]" 1
368 1 110 ASN H 1 111 VAL QG 3.000 . 3.300 2.243 2.122 2.532 . 0 0 "[ . 1 .]" 1
369 1 110 ASN H 1 110 ASN QB 3.000 . 3.300 2.906 2.755 2.997 . 0 0 "[ . 1 .]" 1
370 1 53 THR HA 1 56 LEU H 4.000 . 6.000 3.457 3.051 4.068 . 0 0 "[ . 1 .]" 1
371 1 52 ASP QB 1 56 LEU H 4.000 . 6.000 3.781 3.219 4.146 . 0 0 "[ . 1 .]" 1
372 1 55 ILE HB 1 56 LEU H 4.000 . 6.000 2.890 2.487 3.116 . 0 0 "[ . 1 .]" 1
373 1 55 ILE HA 1 56 LEU H 4.000 . 6.000 3.502 3.447 3.565 . 0 0 "[ . 1 .]" 1
374 1 56 LEU H 1 56 LEU QD 4.000 . 6.000 2.660 2.250 3.199 . 0 0 "[ . 1 .]" 1
375 1 56 LEU H 1 57 GLN QG 4.000 . 6.000 4.140 3.601 5.016 . 0 0 "[ . 1 .]" 1
376 1 55 ILE QG 1 56 LEU H 4.000 . 6.000 4.105 3.620 4.692 . 0 0 "[ . 1 .]" 1
377 1 50 ILE MG 1 56 LEU H 4.000 . 6.000 4.167 3.660 4.675 . 0 0 "[ . 1 .]" 1
378 1 54 GLN HA 1 56 LEU H 4.000 3.500 6.000 4.233 3.749 4.678 . 0 0 "[ . 1 .]" 1
379 1 56 LEU H 1 57 GLN H 4.000 . 6.000 2.760 2.384 2.925 . 0 0 "[ . 1 .]" 1
380 1 53 THR H 1 56 LEU H 4.000 . 6.000 4.913 4.607 5.207 . 0 0 "[ . 1 .]" 1
381 1 55 ILE MG 1 56 LEU H 4.000 . 6.000 3.640 3.174 3.992 . 0 0 "[ . 1 .]" 1
382 1 137 PHE HA 1 138 ARG H 4.000 . 6.000 3.068 2.404 3.575 . 0 0 "[ . 1 .]" 1
383 1 138 ARG H 1 138 ARG QG 3.000 . 3.300 2.448 1.631 3.239 0.169 4 0 "[ . 1 .]" 1
384 1 137 PHE QB 1 138 ARG H . . 3.300 2.232 1.651 2.989 0.149 7 0 "[ . 1 .]" 1
385 1 138 ARG H 1 138 ARG QB 3.500 2.300 3.800 2.722 2.224 3.476 0.076 7 0 "[ . 1 .]" 1
386 1 100 TYR H 1 100 TYR QB 3.500 2.300 3.800 2.782 2.081 3.454 0.219 1 0 "[ . 1 .]" 1
387 1 100 TYR H 1 101 ILE QG 4.000 . 6.000 4.469 3.318 5.104 . 0 0 "[ . 1 .]" 1
388 1 116 GLY QA 1 117 ASP H 3.000 . 3.300 2.752 2.347 2.923 . 0 0 "[ . 1 .]" 1
389 1 80 LYS H 1 80 LYS QG 4.000 . 4.300 3.374 1.672 4.019 0.328 6 0 "[ . 1 .]" 1
390 1 80 LYS H 1 80 LYS QB 3.000 . 3.300 2.614 2.070 3.117 . 0 0 "[ . 1 .]" 1
391 1 52 ASP QB 1 54 GLN H 4.000 2.800 4.300 3.367 3.021 3.668 . 0 0 "[ . 1 .]" 1
392 1 54 GLN H 1 55 ILE HB 4.000 . 6.000 4.843 4.579 5.179 . 0 0 "[ . 1 .]" 1
393 1 53 THR HB 1 54 GLN H 4.000 2.800 4.300 3.448 2.807 4.126 . 0 0 "[ . 1 .]" 1
394 1 54 GLN H 1 55 ILE HA 5.000 3.800 5.300 5.255 5.098 5.363 0.063 2 0 "[ . 1 .]" 1
395 1 52 ASP HA 1 54 GLN H 4.000 . 6.000 3.501 3.220 4.157 . 0 0 "[ . 1 .]" 1
396 1 54 GLN H 1 54 GLN QB 3.000 . 3.300 2.251 2.067 2.431 . 0 0 "[ . 1 .]" 1
397 1 54 GLN H 1 54 GLN QG . 2.800 3.700 2.715 2.237 3.428 0.563 10 2 "[ . - + .]" 1
398 1 54 GLN H 1 55 ILE MD 4.000 . 6.000 4.623 3.616 4.940 . 0 0 "[ . 1 .]" 1
399 1 53 THR H 1 54 GLN H 3.000 . 3.300 2.614 2.398 2.904 . 0 0 "[ . 1 .]" 1
400 1 64 ASN QB 1 65 GLY H 4.000 . 6.000 3.890 3.588 4.090 . 0 0 "[ . 1 .]" 1
401 1 60 LEU QD 1 65 GLY H 4.000 . 6.000 2.218 1.622 3.389 0.178 7 0 "[ . 1 .]" 1
402 1 64 ASN HA 1 65 GLY H 4.000 . 5.000 2.974 2.673 3.188 . 0 0 "[ . 1 .]" 1
403 1 65 GLY H 1 70 ALA MB 4.000 . 6.000 4.819 4.644 4.889 . 0 0 "[ . 1 .]" 1
404 1 60 LEU HG 1 65 GLY H 4.000 . 6.000 4.470 2.466 5.953 . 0 0 "[ . 1 .]" 1
405 1 65 GLY H 1 66 ASN H 4.000 . 6.000 2.296 2.127 2.637 . 0 0 "[ . 1 .]" 1
406 1 61 LYS HA 1 65 GLY H 4.000 . 6.000 5.225 4.728 5.744 . 0 0 "[ . 1 .]" 1
407 1 40 PHE HZ 1 67 LEU H 4.000 . 6.000 3.837 3.463 4.612 . 0 0 "[ . 1 .]" 1
408 1 67 LEU H 1 67 LEU QD 4.000 . 6.000 3.534 3.191 3.758 . 0 0 "[ . 1 .]" 1
409 1 66 ASN HA 1 67 LEU H 4.000 . 6.000 2.175 2.148 2.191 . 0 0 "[ . 1 .]" 1
410 1 40 PHE QE 1 67 LEU H 4.000 . 6.000 3.253 2.527 4.179 . 0 0 "[ . 1 .]" 1
411 1 67 LEU H 1 69 LEU QD 4.000 . 6.000 3.778 3.642 4.231 . 0 0 "[ . 1 .]" 1
412 1 67 LEU H 1 67 LEU HG 4.000 . 6.000 4.534 4.257 4.682 . 0 0 "[ . 1 .]" 1
413 1 67 LEU H 1 67 LEU QB 3.500 2.300 3.800 2.243 2.112 2.337 0.188 9 0 "[ . 1 .]" 1
414 1 66 ASN QB 1 67 LEU H 4.000 . 6.000 3.236 3.130 3.424 . 0 0 "[ . 1 .]" 1
415 1 67 LEU H 1 68 GLU QB 4.000 . 6.000 4.319 4.179 4.626 . 0 0 "[ . 1 .]" 1
416 1 66 ASN H 1 67 LEU H 4.000 . 6.000 4.474 4.376 4.547 . 0 0 "[ . 1 .]" 1
417 1 67 LEU H 1 69 LEU H 4.000 . 6.000 3.574 3.416 3.845 . 0 0 "[ . 1 .]" 1
418 1 86 GLU H 1 86 GLU QG 4.000 2.800 6.000 3.621 2.321 4.306 0.479 2 0 "[ . 1 .]" 1
419 1 50 ILE H 1 51 ASN H 4.000 . 6.000 4.521 4.224 4.657 . 0 0 "[ . 1 .]" 1
420 1 50 ILE HB 1 51 ASN H 4.000 . 6.000 4.060 3.550 4.412 . 0 0 "[ . 1 .]" 1
421 1 50 ILE HA 1 51 ASN H 4.000 . 5.000 2.257 2.152 2.381 . 0 0 "[ . 1 .]" 1
422 1 51 ASN H 1 51 ASN QB . . 3.300 2.628 2.166 3.030 . 0 0 "[ . 1 .]" 1
423 1 50 ILE MG 1 51 ASN H 4.000 . 6.000 2.286 1.668 3.227 0.132 1 0 "[ . 1 .]" 1
424 1 50 ILE QG 1 51 ASN H 4.000 . 6.000 4.339 3.401 4.814 . 0 0 "[ . 1 .]" 1
425 1 45 ARG QG 1 51 ASN H 4.000 . 6.000 4.447 3.674 5.101 . 0 0 "[ . 1 .]" 1
426 1 97 ASN H 1 97 ASN QB 3.000 . 3.300 2.673 2.200 3.050 . 0 0 "[ . 1 .]" 1
427 1 107 ALA HA 1 108 ASP H 3.000 . 3.300 2.361 2.144 3.206 . 0 0 "[ . 1 .]" 1
428 1 108 ASP H 1 108 ASP QB 3.000 . 3.300 2.588 2.205 2.955 . 0 0 "[ . 1 .]" 1
429 1 40 PHE QB 1 41 LEU H 4.000 . 5.000 2.149 1.917 2.327 . 0 0 "[ . 1 .]" 1
430 1 41 LEU H 1 42 ASN QB 4.000 . 6.000 4.364 4.280 4.440 . 0 0 "[ . 1 .]" 1
431 1 40 PHE QD 1 41 LEU H 4.000 . 6.000 3.025 2.595 3.581 . 0 0 "[ . 1 .]" 1
432 1 41 LEU H 1 41 LEU HG 4.000 . 6.000 2.025 1.758 2.572 0.042 10 0 "[ . 1 .]" 1
433 1 41 LEU H 1 41 LEU QD 4.000 . 6.000 2.922 2.234 3.181 . 0 0 "[ . 1 .]" 1
434 1 38 GLN HA 1 41 LEU H 3.000 2.800 4.300 4.112 3.644 4.319 0.019 10 0 "[ . 1 .]" 1
435 1 39 THR MG 1 41 LEU H 4.000 . 6.000 4.347 4.046 4.625 . 0 0 "[ . 1 .]" 1
436 1 41 LEU H 1 41 LEU QB 3.000 . 3.300 2.505 2.269 2.776 . 0 0 "[ . 1 .]" 1
437 1 40 PHE HA 1 41 LEU H 4.000 . 6.000 3.553 3.526 3.586 . 0 0 "[ . 1 .]" 1
438 1 41 LEU H 1 67 LEU QD 5.000 4.000 7.000 4.976 4.782 5.203 . 0 0 "[ . 1 .]" 1
439 1 84 GLN HA 1 85 GLU H . . 2.700 2.458 2.193 2.710 0.010 6 0 "[ . 1 .]" 1
440 1 82 PRO HA 1 85 GLU H 5.000 3.800 5.300 4.959 3.929 5.350 0.050 4 0 "[ . 1 .]" 1
441 1 45 ARG QB 1 46 GLU H 4.000 . 6.000 3.037 2.858 3.199 . 0 0 "[ . 1 .]" 1
442 1 46 GLU H 1 56 LEU QD 4.000 . 6.000 4.336 4.247 4.460 . 0 0 "[ . 1 .]" 1
443 1 46 GLU H 1 46 GLU QB 3.000 . 3.300 2.261 2.162 2.336 . 0 0 "[ . 1 .]" 1
444 1 42 ASN HA 1 46 GLU H 3.000 . 5.000 4.812 4.544 4.993 . 0 0 "[ . 1 .]" 1
445 1 46 GLU H 1 47 ILE MD 4.000 . 5.000 3.149 2.849 3.335 . 0 0 "[ . 1 .]" 1
446 1 46 GLU H 1 46 GLU QG 4.000 2.800 4.300 3.840 2.672 3.998 0.128 9 0 "[ . 1 .]" 1
447 1 46 GLU H 1 47 ILE QG 4.000 . 6.000 4.389 3.739 5.411 . 0 0 "[ . 1 .]" 1
448 1 45 ARG QG 1 46 GLU H 4.000 . 6.000 3.933 2.981 4.476 . 0 0 "[ . 1 .]" 1
449 1 46 GLU H 1 47 ILE H 4.000 . 6.000 2.680 2.605 2.741 . 0 0 "[ . 1 .]" 1
450 1 92 THR MG 1 93 ALA H 4.000 . 6.000 3.740 1.779 4.323 0.021 13 0 "[ . 1 .]" 1
451 1 27 VAL HB 1 28 LEU H 4.000 2.800 8.000 3.597 2.881 4.345 . 0 0 "[ . 1 .]" 1
452 1 28 LEU H 1 28 LEU HG 4.000 . 6.000 3.587 1.802 5.035 . 0 0 "[ . 1 .]" 1
453 1 27 VAL HA 1 28 LEU H 4.000 . 5.000 2.742 2.164 3.557 . 0 0 "[ . 1 .]" 1
454 1 28 LEU H 1 29 GLN QB 4.000 . 6.000 4.663 3.626 5.543 . 0 0 "[ . 1 .]" 1
455 1 28 LEU H 1 28 LEU QB 3.000 . 3.300 2.762 2.229 3.092 . 0 0 "[ . 1 .]" 1
456 1 27 VAL QG 1 28 LEU H 4.000 . 6.000 2.872 1.708 3.664 0.092 12 0 "[ . 1 .]" 1
457 1 28 LEU H 1 28 LEU QD 4.000 . 6.000 2.680 1.456 4.076 0.344 3 0 "[ . 1 .]" 1
458 1 74 LEU H 1 74 LEU HG 3.500 2.300 3.800 3.344 2.267 3.881 0.081 7 0 "[ . 1 .]" 1
459 1 74 LEU H 1 75 THR HA 4.000 . 6.000 5.176 5.075 5.301 . 0 0 "[ . 1 .]" 1
460 1 48 THR MG 1 74 LEU H 4.000 . 6.000 4.737 4.372 4.883 . 0 0 "[ . 1 .]" 1
461 1 74 LEU H 1 75 THR MG 4.500 3.300 4.800 3.530 3.395 3.690 . 0 0 "[ . 1 .]" 1
462 1 72 ALA HA 1 74 LEU H 4.000 . 6.000 3.926 3.751 4.208 . 0 0 "[ . 1 .]" 1
463 1 73 PHE QD 1 74 LEU H 4.000 . 6.000 4.659 4.457 4.726 . 0 0 "[ . 1 .]" 1
464 1 72 ALA H 1 74 LEU H 4.000 . 6.000 4.105 4.016 4.293 . 0 0 "[ . 1 .]" 1
465 1 74 LEU H 1 74 LEU QD 4.000 3.000 4.200 2.218 1.711 3.151 1.289 11 11 "[ *- ******+* *.]" 1
466 1 73 PHE QB 1 74 LEU H 4.000 . 4.200 2.865 2.761 2.949 . 0 0 "[ . 1 .]" 1
467 1 88 THR MG 1 89 TYR H 4.000 . 6.000 2.831 1.521 4.373 0.279 2 0 "[ . 1 .]" 1
468 1 89 TYR H 1 89 TYR QB 4.000 3.300 4.200 3.110 2.825 3.331 0.475 10 0 "[ . 1 .]" 1
469 1 30 GLN HA 1 31 SER H 4.000 . 6.000 2.787 2.166 3.381 . 0 0 "[ . 1 .]" 1
470 1 71 VAL HB 1 72 ALA H 4.000 . 6.000 3.536 2.676 3.766 . 0 0 "[ . 1 .]" 1
471 1 69 LEU QB 1 72 ALA H 4.000 . 6.000 4.970 4.474 5.290 . 0 0 "[ . 1 .]" 1
472 1 69 LEU HA 1 72 ALA H 4.000 . 6.000 3.533 2.963 3.915 . 0 0 "[ . 1 .]" 1
473 1 68 GLU QG 1 72 ALA H 4.000 . 6.000 4.842 4.112 5.396 . 0 0 "[ . 1 .]" 1
474 1 71 VAL QG 1 72 ALA H 4.000 . 6.000 1.654 1.494 2.375 0.306 12 0 "[ . 1 .]" 1
475 1 72 ALA H 1 73 PHE QB 4.000 . 6.000 4.439 4.283 4.983 . 0 0 "[ . 1 .]" 1
476 1 91 GLN H 1 91 GLN QB 2.500 . 2.700 2.365 2.171 2.539 . 0 0 "[ . 1 .]" 1
477 1 90 TYR QB 1 91 GLN H 2.500 . 2.700 2.023 1.688 2.263 0.112 8 0 "[ . 1 .]" 1
478 1 23 VAL H 1 23 VAL QG 4.000 . 6.000 2.217 1.600 3.063 0.200 13 0 "[ . 1 .]" 1
479 1 22 THR MG 1 23 VAL H 4.000 . 6.000 3.459 1.703 4.333 0.097 3 0 "[ . 1 .]" 1
480 1 22 THR HB 1 23 VAL H 4.000 . 6.000 3.680 1.815 4.664 . 0 0 "[ . 1 .]" 1
481 1 22 THR HA 1 23 VAL H 4.000 . 6.000 2.885 2.263 3.572 . 0 0 "[ . 1 .]" 1
482 1 23 VAL H 1 23 VAL HB 3.000 2.300 3.200 2.759 2.459 3.331 0.131 13 0 "[ . 1 .]" 1
483 1 23 VAL H 1 23 VAL HA 2.500 . 2.700 2.644 2.327 2.871 0.171 8 0 "[ . 1 .]" 1
484 1 136 ALA MB 1 137 PHE H 4.000 . 6.000 3.323 2.824 3.632 . 0 0 "[ . 1 .]" 1
485 1 136 ALA HA 1 137 PHE H 4.000 . 6.000 3.200 2.931 3.491 . 0 0 "[ . 1 .]" 1
486 1 149 ILE H 1 150 SER H 4.000 . 6.000 2.877 2.471 3.094 . 0 0 "[ . 1 .]" 1
487 1 149 ILE HB 1 150 SER H 4.000 . 6.000 2.889 2.289 3.962 . 0 0 "[ . 1 .]" 1
488 1 149 ILE MG 1 150 SER H 4.000 . 6.000 3.241 1.769 4.045 0.031 15 0 "[ . 1 .]" 1
489 1 149 ILE HA 1 150 SER H 4.000 . 6.000 3.543 3.504 3.576 . 0 0 "[ . 1 .]" 1
490 1 55 ILE HA 1 57 GLN H 4.000 . 6.000 4.925 4.221 5.146 . 0 0 "[ . 1 .]" 1
491 1 57 GLN H 1 57 GLN QG 4.000 . 6.000 2.317 1.617 3.244 0.183 12 0 "[ . 1 .]" 1
492 1 56 LEU QB 1 57 GLN H 4.000 . 6.000 2.239 2.033 3.001 . 0 0 "[ . 1 .]" 1
493 1 41 LEU QD 1 57 GLN H 4.000 . 6.000 2.876 2.485 3.471 . 0 0 "[ . 1 .]" 1
494 1 54 GLN HA 1 57 GLN H 4.000 . 6.000 3.871 3.375 4.227 . 0 0 "[ . 1 .]" 1
495 1 57 GLN H 1 59 ALA MB 4.000 . 6.000 4.869 4.749 4.936 . 0 0 "[ . 1 .]" 1
496 1 132 GLU QB 1 133 SER H 3.500 2.800 3.700 2.992 2.864 3.463 . 0 0 "[ . 1 .]" 1
497 1 131 ALA MB 1 133 SER H 4.500 3.800 4.700 3.969 3.946 4.018 . 0 0 "[ . 1 .]" 1
498 1 139 GLU QB 1 140 THR H 4.000 . 6.000 3.780 2.746 4.072 . 0 0 "[ . 1 .]" 1
499 1 139 GLU QG 1 140 THR H 4.000 . 6.000 4.220 3.221 4.826 . 0 0 "[ . 1 .]" 1
500 1 140 THR H 1 140 THR MG 2.500 . 2.700 1.831 1.655 2.077 0.145 14 0 "[ . 1 .]" 1
501 1 138 ARG QB 1 140 THR H 4.000 3.000 4.200 3.130 2.440 3.782 0.560 11 1 "[ . 1+ .]" 1
502 1 52 ASP QB 1 53 THR H 4.000 . 6.000 3.639 2.891 3.900 . 0 0 "[ . 1 .]" 1
503 1 53 THR H 1 55 ILE HB 4.000 . 6.000 5.734 5.555 6.014 0.014 9 0 "[ . 1 .]" 1
504 1 52 ASP HA 1 53 THR H 4.000 . 6.000 2.220 2.141 2.298 . 0 0 "[ . 1 .]" 1
505 1 53 THR H 1 54 GLN QB 4.500 3.500 5.500 4.495 4.064 4.721 . 0 0 "[ . 1 .]" 1
506 1 53 THR H 1 53 THR MG 4.000 . 6.000 2.915 1.775 3.767 0.025 2 0 "[ . 1 .]" 1
507 1 61 LYS QG 1 62 ASP H 5.000 4.300 5.200 4.223 3.915 4.595 0.385 13 0 "[ . 1 .]" 1
508 1 58 GLN HA 1 62 ASP H 4.000 . 6.000 4.424 4.101 4.649 . 0 0 "[ . 1 .]" 1
509 1 62 ASP H 1 62 ASP QB 3.000 2.300 3.200 2.318 2.103 2.676 0.197 5 0 "[ . 1 .]" 1
510 1 59 ALA MB 1 62 ASP H 4.000 . 6.000 4.661 4.449 4.846 . 0 0 "[ . 1 .]" 1
511 1 61 LYS QB 1 62 ASP H 4.000 3.000 4.200 2.660 2.493 2.806 0.507 15 1 "[ . 1 +]" 1
512 1 59 ALA HA 1 62 ASP H 3.500 2.500 3.700 3.559 3.366 3.736 0.036 2 0 "[ . 1 .]" 1
513 1 142 ILE HB 1 143 THR H 4.000 . 6.000 4.047 3.152 4.490 . 0 0 "[ . 1 .]" 1
514 1 142 ILE MG 1 143 THR H 4.000 . 6.000 3.234 2.184 4.026 . 0 0 "[ . 1 .]" 1
515 1 143 THR H 1 143 THR MG 4.000 . 6.000 3.303 2.008 4.011 . 0 0 "[ . 1 .]" 1
516 1 142 ILE H 1 143 THR H 4.000 . 6.000 4.075 2.494 4.658 . 0 0 "[ . 1 .]" 1
517 1 143 THR H 1 144 ASP H 4.000 . 6.000 3.359 1.803 4.646 . 0 0 "[ . 1 .]" 1
518 1 142 ILE MD 1 143 THR H 4.000 . 6.000 3.948 1.726 5.022 0.074 1 0 "[ . 1 .]" 1
519 1 142 ILE H 1 142 ILE HB 4.000 . 6.000 2.878 2.172 3.664 . 0 0 "[ . 1 .]" 1
520 1 142 ILE H 1 142 ILE QG 4.000 . 6.000 3.737 2.237 4.220 . 0 0 "[ . 1 .]" 1
521 1 142 ILE MG 1 144 ASP H 4.000 . 6.000 4.043 1.850 4.925 . 0 0 "[ . 1 .]" 1
522 1 143 THR MG 1 144 ASP H 4.000 . 6.000 3.548 1.838 4.436 . 0 0 "[ . 1 .]" 1
523 1 143 THR HA 1 144 ASP H 4.000 . 6.000 2.798 2.173 3.569 . 0 0 "[ . 1 .]" 1
524 1 40 PHE HZ 1 66 ASN H 4.000 . 6.000 3.503 2.720 4.035 . 0 0 "[ . 1 .]" 1
525 1 66 ASN H 1 69 LEU QB 4.000 . 6.000 4.047 3.660 5.018 . 0 0 "[ . 1 .]" 1
526 1 60 LEU QD 1 66 ASN H 4.000 . 6.000 3.742 3.308 4.370 . 0 0 "[ . 1 .]" 1
527 1 66 ASN H 1 70 ALA MB 4.000 . 6.000 4.442 3.882 4.737 . 0 0 "[ . 1 .]" 1
528 1 63 SER QB 1 66 ASN H 4.000 . 6.000 2.823 1.945 3.319 . 0 0 "[ . 1 .]" 1
529 1 66 ASN H 1 69 LEU H 4.000 . 6.000 5.444 5.086 5.709 . 0 0 "[ . 1 .]" 1
530 1 25 GLN QG 1 26 ASN H 4.000 . 6.000 3.441 1.703 4.829 0.097 12 0 "[ . 1 .]" 1
531 1 26 ASN H 1 26 ASN HA 2.500 . 2.700 2.603 2.291 2.913 0.213 7 0 "[ . 1 .]" 1
532 1 25 GLN HA 1 26 ASN H 4.000 . 6.000 2.751 2.167 3.569 . 0 0 "[ . 1 .]" 1
533 1 26 ASN H 1 27 VAL QG 4.000 . 6.000 3.748 2.249 4.423 . 0 0 "[ . 1 .]" 1
534 1 69 LEU H 1 69 LEU QB 3.000 2.300 3.200 2.256 2.086 2.398 0.214 11 0 "[ . 1 .]" 1
535 1 66 ASN HA 1 69 LEU H 4.000 . 6.000 4.449 4.264 4.643 . 0 0 "[ . 1 .]" 1
536 1 68 GLU QG 1 69 LEU H 4.000 . 6.000 4.346 4.003 4.504 . 0 0 "[ . 1 .]" 1
537 1 69 LEU H 1 71 VAL QG 4.000 . 6.000 3.623 3.425 4.542 . 0 0 "[ . 1 .]" 1
538 1 157 ILE H 1 157 ILE QG 4.000 . 6.000 3.042 1.662 4.168 0.138 10 0 "[ . 1 .]" 1
539 1 157 ILE H 1 157 ILE HB 4.000 . 6.000 3.044 2.373 3.927 . 0 0 "[ . 1 .]" 1
540 1 156 SER QB 1 157 ILE H 4.000 . 6.000 2.931 1.901 3.785 . 0 0 "[ . 1 .]" 1
541 1 110 ASN QB 1 111 VAL H 4.000 3.300 4.200 3.750 3.480 3.844 . 0 0 "[ . 1 .]" 1
542 1 111 VAL H 1 111 VAL HA 3.500 2.800 3.700 2.930 2.797 2.959 0.003 15 0 "[ . 1 .]" 1
543 1 110 ASN HA 1 111 VAL H 3.000 2.300 3.200 2.928 2.792 3.193 . 0 0 "[ . 1 .]" 1
544 1 122 LEU HA 1 124 ARG H 3.000 2.300 3.200 3.331 3.305 3.359 0.159 5 0 "[ . 1 .]" 1
545 1 124 ARG H 1 124 ARG QB 2.500 . 2.700 2.231 2.125 2.319 . 0 0 "[ . 1 .]" 1
546 1 123 GLN QB 1 124 ARG H 3.000 2.300 3.200 3.001 2.943 3.040 . 0 0 "[ . 1 .]" 1
547 1 76 ALA MB 1 77 LYS H 4.000 . 6.000 2.635 1.627 3.716 0.173 7 0 "[ . 1 .]" 1
548 1 76 ALA HA 1 77 LYS H 4.000 . 6.000 2.918 2.173 3.573 . 0 0 "[ . 1 .]" 1
549 1 77 LYS H 1 77 LYS QD 4.000 . 4.200 3.177 1.674 3.873 0.126 10 0 "[ . 1 .]" 1
550 1 113 ASP QB 1 115 THR H 4.000 3.300 4.200 3.036 2.493 3.711 0.807 12 5 "[ * - * * + .]" 1
551 1 113 ASP HA 1 115 THR H 4.000 3.300 4.200 3.781 3.336 4.202 0.002 14 0 "[ . 1 .]" 1
552 1 115 THR H 1 115 THR MG 2.500 . 2.700 1.809 1.676 2.107 0.124 15 0 "[ . 1 .]" 1
553 1 114 LEU QD 1 115 THR H 4.000 . 6.000 3.401 2.334 4.335 . 0 0 "[ . 1 .]" 1
554 1 114 LEU QB 1 115 THR H 4.000 . 6.000 3.189 2.335 3.896 . 0 0 "[ . 1 .]" 1
555 1 28 LEU QB 1 29 GLN H 4.000 3.300 4.200 3.451 2.634 3.861 0.666 5 1 "[ + 1 .]" 1
556 1 29 GLN H 1 29 GLN QB 2.500 . 2.700 2.311 2.126 2.551 . 0 0 "[ . 1 .]" 1
557 1 28 LEU QD 1 29 GLN H 4.000 . 6.000 2.413 1.640 3.390 0.160 14 0 "[ . 1 .]" 1
558 1 47 ILE H 1 48 THR H 3.000 2.300 3.200 2.885 2.404 3.090 . 0 0 "[ . 1 .]" 1
559 1 46 GLU QB 1 47 ILE H 3.500 2.800 3.700 2.282 2.160 2.559 0.640 13 10 "[*** .*** ** +-.]" 1
560 1 47 ILE H 1 48 THR MG 4.000 . 6.000 3.772 3.572 3.938 . 0 0 "[ . 1 .]" 1
561 1 47 ILE H 1 47 ILE MD 4.000 . 6.000 1.880 1.513 2.237 0.287 10 0 "[ . 1 .]" 1
562 1 47 ILE H 1 47 ILE HB 4.000 . 6.000 3.285 2.819 3.677 . 0 0 "[ . 1 .]" 1
563 1 46 GLU QG 1 47 ILE H 4.000 . 6.000 3.728 2.863 4.280 . 0 0 "[ . 1 .]" 1
564 1 47 ILE H 1 47 ILE MG 4.000 . 6.000 2.992 1.573 3.734 0.227 11 0 "[ . 1 .]" 1
565 1 47 ILE H 1 47 ILE QG 4.000 . 4.200 2.242 1.560 3.500 0.440 14 0 "[ . 1 .]" 1
566 1 45 ARG HA 1 47 ILE H 4.000 . 6.000 5.143 4.581 5.289 . 0 0 "[ . 1 .]" 1
567 1 144 ASP HA 1 147 GLN H 3.000 . 5.000 3.717 3.252 4.754 . 0 0 "[ . 1 .]" 1
568 1 144 ASP HA 1 148 ALA H 4.000 . 6.000 4.709 4.004 5.340 . 0 0 "[ . 1 .]" 1
569 1 145 GLU HA 1 146 GLU H 3.000 . 5.000 3.541 3.453 3.573 . 0 0 "[ . 1 .]" 1
570 1 145 GLU HA 1 147 GLN H 4.000 . 6.000 4.385 3.957 4.767 . 0 0 "[ . 1 .]" 1
571 1 145 GLU HA 1 148 ALA H 3.000 . 5.000 3.363 3.131 3.548 . 0 0 "[ . 1 .]" 1
572 1 145 GLU HA 1 149 ILE H 4.000 . 6.000 3.925 3.323 4.339 . 0 0 "[ . 1 .]" 1
573 1 146 GLU HA 1 147 GLN H 3.000 . 5.000 3.543 3.497 3.571 . 0 0 "[ . 1 .]" 1
574 1 146 GLU HA 1 148 ALA H 4.000 . 6.000 4.383 4.014 4.934 . 0 0 "[ . 1 .]" 1
575 1 146 GLU HA 1 149 ILE H 3.000 . 5.000 4.037 3.689 4.356 . 0 0 "[ . 1 .]" 1
576 1 146 GLU HA 1 150 SER H 4.000 . 6.000 4.201 3.758 4.470 . 0 0 "[ . 1 .]" 1
577 1 147 GLN HA 1 148 ALA H 3.000 . 5.000 3.520 3.472 3.575 . 0 0 "[ . 1 .]" 1
578 1 147 GLN HA 1 149 ILE H 4.000 . 6.000 5.047 4.359 5.733 . 0 0 "[ . 1 .]" 1
579 1 147 GLN HA 1 150 SER H 3.000 . 5.000 3.771 3.499 4.143 . 0 0 "[ . 1 .]" 1
580 1 147 GLN HA 1 151 ARG H 4.000 . 6.000 4.105 3.695 4.620 . 0 0 "[ . 1 .]" 1
581 1 148 ALA HA 1 149 ILE H 3.000 . 5.000 3.562 3.525 3.574 . 0 0 "[ . 1 .]" 1
582 1 148 ALA HA 1 150 SER H 4.000 . 6.000 4.431 3.956 5.145 . 0 0 "[ . 1 .]" 1
583 1 148 ALA HA 1 151 ARG H 4.000 . 6.000 3.695 3.325 4.229 . 0 0 "[ . 1 .]" 1
584 1 148 ALA HA 1 152 VAL H 4.000 . 6.000 4.261 3.620 4.712 . 0 0 "[ . 1 .]" 1
585 1 149 ILE HA 1 151 ARG H 4.000 . 6.000 4.678 3.824 5.612 . 0 0 "[ . 1 .]" 1
586 1 150 SER HA 1 151 ARG H 3.000 . 5.000 3.535 3.419 3.576 . 0 0 "[ . 1 .]" 1
587 1 150 SER HA 1 152 VAL H 3.000 . 5.000 4.590 3.851 5.006 0.006 6 0 "[ . 1 .]" 1
588 1 150 SER HA 1 153 LEU H 3.000 . 5.000 3.761 3.297 4.333 . 0 0 "[ . 1 .]" 1
589 1 150 SER HA 1 154 GLU H 4.000 . 6.000 4.075 3.463 4.524 . 0 0 "[ . 1 .]" 1
590 1 151 ARG HA 1 152 VAL H 3.000 . 5.000 3.558 3.471 3.582 . 0 0 "[ . 1 .]" 1
591 1 151 ARG HA 1 153 LEU H 4.000 . 6.000 4.840 4.052 5.404 . 0 0 "[ . 1 .]" 1
592 1 151 ARG HA 1 154 GLU H 3.000 . 5.000 3.942 3.624 4.270 . 0 0 "[ . 1 .]" 1
593 1 151 ARG HA 1 155 ALA H 4.000 . 6.000 4.117 3.412 4.737 . 0 0 "[ . 1 .]" 1
594 1 152 VAL HA 1 153 LEU H 3.000 . 5.000 3.563 3.522 3.584 . 0 0 "[ . 1 .]" 1
595 1 152 VAL HA 1 154 GLU H 4.000 . 6.000 4.757 4.029 5.863 . 0 0 "[ . 1 .]" 1
596 1 152 VAL HA 1 155 ALA H 3.000 . 5.000 3.667 3.186 4.289 . 0 0 "[ . 1 .]" 1
597 1 152 VAL HA 1 156 SER H 4.000 . 6.000 4.480 4.002 4.944 . 0 0 "[ . 1 .]" 1
598 1 153 LEU HA 1 155 ALA H 4.000 . 6.000 4.665 3.863 5.263 . 0 0 "[ . 1 .]" 1
599 1 153 LEU HA 1 156 SER H 3.000 . 5.000 3.644 3.158 3.996 . 0 0 "[ . 1 .]" 1
600 1 153 LEU HA 1 157 ILE H 4.000 . 6.000 4.459 3.686 5.113 . 0 0 "[ . 1 .]" 1
601 1 154 GLU HA 1 155 ALA H 3.000 . 5.000 3.561 3.501 3.577 . 0 0 "[ . 1 .]" 1
602 1 154 GLU HA 1 156 SER H 4.000 . 6.000 4.038 3.360 4.932 . 0 0 "[ . 1 .]" 1
603 1 154 GLU HA 1 157 ILE H 3.000 . 5.000 3.442 2.935 4.213 . 0 0 "[ . 1 .]" 1
604 1 154 GLU HA 1 158 ALA H 4.000 . 6.000 3.583 1.776 4.528 0.024 1 0 "[ . 1 .]" 1
605 1 146 GLU H 1 147 GLN H 3.000 . 5.000 2.752 2.538 2.894 . 0 0 "[ . 1 .]" 1
606 1 146 GLU H 1 148 ALA H 4.000 . 6.000 4.086 3.843 4.646 . 0 0 "[ . 1 .]" 1
607 1 150 SER H 1 151 ARG H 3.000 . 5.000 2.838 2.482 3.075 . 0 0 "[ . 1 .]" 1
608 1 151 ARG H 1 152 VAL H 3.000 . 5.000 2.867 2.462 3.302 . 0 0 "[ . 1 .]" 1
609 1 155 ALA H 1 156 SER H 3.000 . 5.000 2.804 2.569 3.279 . 0 0 "[ . 1 .]" 1
610 1 53 THR HA 1 56 LEU QD 4.000 . 6.000 2.800 2.120 3.980 . 0 0 "[ . 1 .]" 1
611 1 53 THR HA 1 56 LEU QB 4.000 . 6.000 2.802 2.235 3.329 . 0 0 "[ . 1 .]" 1
612 1 50 ILE MG 1 52 ASP QB 4.000 . 6.000 2.616 2.027 3.194 . 0 0 "[ . 1 .]" 1
613 1 51 ASN H 1 52 ASP QB 4.000 . 6.000 4.228 3.525 4.833 . 0 0 "[ . 1 .]" 1
614 1 52 ASP QB 1 55 ILE MG 4.000 . 6.000 3.670 3.445 4.067 . 0 0 "[ . 1 .]" 1
615 1 145 GLU HA 1 148 ALA MB 3.000 . 4.000 2.471 2.235 2.941 . 0 0 "[ . 1 .]" 1
616 1 125 ALA HA 1 126 ILE MD 4.000 . 6.000 4.502 4.062 4.747 . 0 0 "[ . 1 .]" 1
617 1 125 ALA HA 1 126 ILE QG 4.000 . 6.000 4.925 4.801 5.019 . 0 0 "[ . 1 .]" 1
618 1 125 ALA HA 1 128 LEU QB 4.000 . 6.000 3.061 2.299 3.734 . 0 0 "[ . 1 .]" 1
619 1 73 PHE HA 1 76 ALA MB 4.000 . 6.000 2.741 2.515 2.940 . 0 0 "[ . 1 .]" 1
620 1 33 ALA MB 1 36 HIS QB 4.000 . 6.000 3.877 3.104 4.394 . 0 0 "[ . 1 .]" 1
621 1 132 GLU HA 1 135 ARG QB 4.000 . 6.000 3.647 2.719 5.074 . 0 0 "[ . 1 .]" 1
622 1 41 LEU HA 1 44 LEU QB 4.000 . 6.000 2.425 2.131 2.817 . 0 0 "[ . 1 .]" 1
623 1 37 GLN QG 1 60 LEU QD 4.000 . 6.000 2.824 1.952 3.832 . 0 0 "[ . 1 .]" 1
624 1 28 LEU HA 1 28 LEU QD 4.000 . 6.000 2.722 1.888 3.371 . 0 0 "[ . 1 .]" 1
625 1 150 SER HA 1 153 LEU QB 3.000 . 4.000 2.808 2.403 3.360 . 0 0 "[ . 1 .]" 1
626 1 131 ALA HA 1 135 ARG QD 4.000 . 6.000 3.938 2.824 5.379 . 0 0 "[ . 1 .]" 1
627 1 42 ASN H 1 45 ARG QB 4.000 . 6.000 5.107 4.814 5.308 . 0 0 "[ . 1 .]" 1
628 1 52 ASP QB 1 55 ILE HB 4.000 . 5.000 2.375 2.115 2.978 . 0 0 "[ . 1 .]" 1
629 1 55 ILE HB 1 56 LEU HG 4.000 . 6.000 4.109 3.030 5.885 . 0 0 "[ . 1 .]" 1
630 1 68 GLU HA 1 71 VAL HB 4.000 . 6.000 3.875 2.261 4.367 . 0 0 "[ . 1 .]" 1
631 1 47 ILE MD 1 71 VAL HB 4.000 . 6.000 2.551 2.013 4.044 . 0 0 "[ . 1 .]" 1
632 1 71 VAL HB 1 72 ALA HA 4.000 . 6.000 5.449 4.774 5.550 . 0 0 "[ . 1 .]" 1
633 1 67 LEU HG 1 71 VAL HB 4.000 . 6.000 4.591 2.794 5.639 . 0 0 "[ . 1 .]" 1
634 1 47 ILE MG 1 71 VAL HB 4.000 . 6.000 3.866 3.017 4.799 . 0 0 "[ . 1 .]" 1
635 1 67 LEU HA 1 71 VAL HB 4.000 . 6.000 4.972 4.395 5.508 . 0 0 "[ . 1 .]" 1
636 1 44 LEU HA 1 67 LEU QD 4.000 . 6.000 3.053 2.746 3.244 . 0 0 "[ . 1 .]" 1
637 1 67 LEU QD 1 68 GLU HA 4.000 . 6.000 3.337 2.799 4.232 . 0 0 "[ . 1 .]" 1
638 1 47 ILE MD 1 67 LEU QD 4.000 . 6.000 2.149 1.843 2.803 . 0 0 "[ . 1 .]" 1
639 1 67 LEU QD 1 70 ALA MB 4.000 . 6.000 2.367 2.058 2.960 . 0 0 "[ . 1 .]" 1
640 1 67 LEU HA 1 67 LEU QD 4.000 . 6.000 2.011 1.882 2.553 . 0 0 "[ . 1 .]" 1
641 1 67 LEU QD 1 71 VAL QG 4.000 . 6.000 2.732 2.108 3.368 . 0 0 "[ . 1 .]" 1
642 1 55 ILE HA 1 58 GLN QB 4.000 . 5.000 2.543 2.182 2.856 . 0 0 "[ . 1 .]" 1
643 1 58 GLN QB 1 59 ALA HA 4.000 . 6.000 3.981 3.784 4.236 . 0 0 "[ . 1 .]" 1
644 1 147 GLN QB 1 148 ALA HA 4.000 . 6.000 4.009 3.811 4.703 . 0 0 "[ . 1 .]" 1
645 1 144 ASP HA 1 147 GLN QB 3.000 . 5.000 3.724 2.721 4.480 . 0 0 "[ . 1 .]" 1
646 1 48 THR HB 1 50 ILE HB 4.000 . 6.000 5.372 4.564 6.022 0.022 8 0 "[ . 1 .]" 1
647 1 50 ILE HB 1 56 LEU QD 4.000 . 6.000 2.219 1.979 2.602 . 0 0 "[ . 1 .]" 1
648 1 45 ARG HA 1 50 ILE HB 4.000 . 6.000 3.047 2.140 3.987 . 0 0 "[ . 1 .]" 1
649 1 43 GLN QG 1 47 ILE MD 4.000 . 6.000 3.925 3.285 4.393 . 0 0 "[ . 1 .]" 1
650 1 48 THR MG 1 74 LEU HG 4.000 . 6.000 4.219 2.152 4.818 . 0 0 "[ . 1 .]" 1
651 1 59 ALA MB 1 74 LEU HG 4.000 . 6.000 3.322 2.069 4.176 . 0 0 "[ . 1 .]" 1
652 1 74 LEU HA 1 74 LEU HG 4.000 . 6.000 2.614 2.160 3.640 . 0 0 "[ . 1 .]" 1
653 1 73 PHE QB 1 74 LEU HG 4.000 . 6.000 4.047 2.952 5.193 . 0 0 "[ . 1 .]" 1
654 1 94 LEU QB 1 95 PRO QD 4.000 . 6.000 3.613 2.289 3.825 . 0 0 "[ . 1 .]" 1
655 1 94 LEU HA 1 95 PRO QD 4.000 . 6.000 2.208 1.978 3.399 . 0 0 "[ . 1 .]" 1
656 1 94 LEU QD 1 95 PRO QD 4.000 . 6.000 3.355 2.268 3.944 . 0 0 "[ . 1 .]" 1
657 1 131 ALA HA 1 134 ASN QB 4.000 . 6.000 2.339 2.099 2.694 . 0 0 "[ . 1 .]" 1
658 1 148 ALA HA 1 151 ARG QB 3.500 2.300 5.500 2.917 2.477 3.409 . 0 0 "[ . 1 .]" 1
659 1 64 ASN HA 1 65 GLY QA 4.000 . 6.000 4.055 3.959 4.134 . 0 0 "[ . 1 .]" 1
660 1 77 LYS HA 1 77 LYS QD 4.000 . 6.000 3.481 2.080 4.467 . 0 0 "[ . 1 .]" 1
661 1 44 LEU HA 1 48 THR MG 4.000 . 6.000 2.853 2.599 3.006 . 0 0 "[ . 1 .]" 1
662 1 44 LEU HA 1 47 ILE MD 4.000 . 6.000 1.919 1.861 2.170 . 0 0 "[ . 1 .]" 1
663 1 44 LEU HA 1 47 ILE HB 4.000 . 6.000 4.726 3.359 5.976 . 0 0 "[ . 1 .]" 1
664 1 43 GLN QB 1 44 LEU HA 4.000 . 6.000 3.738 3.641 3.831 . 0 0 "[ . 1 .]" 1
665 1 60 LEU HA 1 60 LEU QD 4.000 . 6.000 2.236 1.929 3.065 . 0 0 "[ . 1 .]" 1
666 1 151 ARG HA 1 154 GLU QB 3.000 . 4.000 3.031 2.620 3.367 . 0 0 "[ . 1 .]" 1
667 1 51 ASN H 1 56 LEU QD 4.000 . 6.000 4.271 3.917 4.462 . 0 0 "[ . 1 .]" 1
668 1 58 GLN HA 1 61 LYS QB 3.000 . 5.000 2.681 2.261 3.023 . 0 0 "[ . 1 .]" 1
669 1 58 GLN HA 1 61 LYS QD 4.000 . 6.000 4.776 3.151 5.396 . 0 0 "[ . 1 .]" 1
670 1 46 GLU QB 1 47 ILE HA 4.000 . 5.000 3.934 3.697 4.210 . 0 0 "[ . 1 .]" 1
671 1 43 GLN HA 1 46 GLU QB 4.000 . 5.000 2.266 2.076 2.511 . 0 0 "[ . 1 .]" 1
672 1 147 GLN HA 1 150 SER QB 3.000 . 4.000 2.763 2.344 3.374 . 0 0 "[ . 1 .]" 1
673 1 41 LEU QD 1 57 GLN QG 4.000 . 6.000 3.053 1.948 4.018 . 0 0 "[ . 1 .]" 1
674 1 78 ASN QB 1 79 ALA MB 4.000 . 6.000 3.914 3.381 4.378 . 0 0 "[ . 1 .]" 1
675 1 42 ASN QB 1 43 GLN QB 4.000 . 6.000 4.237 4.073 4.539 . 0 0 "[ . 1 .]" 1
676 1 39 THR HA 1 42 ASN QB 4.000 . 5.000 2.201 2.127 2.418 . 0 0 "[ . 1 .]" 1
677 1 43 GLN QG 1 67 LEU QD 4.000 . 6.000 2.937 2.248 3.638 . 0 0 "[ . 1 .]" 1
678 1 42 ASN HA 1 45 ARG QD 4.000 . 6.000 4.366 3.726 5.123 . 0 0 "[ . 1 .]" 1
679 1 62 ASP QB 1 73 PHE HZ 4.000 . 6.000 2.712 2.204 3.466 . 0 0 "[ . 1 .]" 1
680 1 62 ASP QB 1 73 PHE QE 4.000 . 6.000 2.588 2.115 2.927 . 0 0 "[ . 1 .]" 1
681 1 68 GLU HA 1 69 LEU HA 4.000 . 6.000 4.672 4.603 4.705 . 0 0 "[ . 1 .]" 1
682 1 100 TYR QB 1 100 TYR QE 4.000 . 5.000 3.969 3.962 3.985 . 0 0 "[ . 1 .]" 1
683 1 137 PHE HA 1 137 PHE QD 4.000 . 5.000 2.522 2.188 3.622 . 0 0 "[ . 1 .]" 1
684 1 48 THR MG 1 71 VAL HB 4.000 . 6.000 3.476 2.591 4.556 . 0 0 "[ . 1 .]" 1
685 1 47 ILE HB 1 48 THR MG 4.000 . 6.000 3.485 2.505 5.000 . 0 0 "[ . 1 .]" 1
686 1 47 ILE HA 1 48 THR MG 4.000 . 6.000 4.740 4.530 4.937 . 0 0 "[ . 1 .]" 1
687 1 48 THR MG 1 71 VAL QG 4.000 . 6.000 2.289 1.861 3.132 . 0 0 "[ . 1 .]" 1
688 1 48 THR MG 1 71 VAL HA 4.000 . 6.000 2.708 2.477 2.965 . 0 0 "[ . 1 .]" 1
689 1 71 VAL HB 1 72 ALA MB 4.000 . 6.000 5.022 4.169 5.119 . 0 0 "[ . 1 .]" 1
690 1 68 GLU HA 1 72 ALA MB 4.000 . 6.000 4.160 3.953 4.598 . 0 0 "[ . 1 .]" 1
691 1 72 ALA MB 1 75 THR MG 4.000 . 6.000 3.663 3.243 4.099 . 0 0 "[ . 1 .]" 1
692 1 72 ALA MB 1 73 PHE HA 4.000 . 6.000 3.855 3.770 3.920 . 0 0 "[ . 1 .]" 1
693 1 71 VAL QG 1 72 ALA MB 4.000 . 6.000 2.643 2.540 3.096 . 0 0 "[ . 1 .]" 1
694 1 68 GLU QB 1 72 ALA MB 4.000 . 6.000 4.178 3.829 4.369 . 0 0 "[ . 1 .]" 1
695 1 71 VAL HA 1 72 ALA MB 4.000 . 6.000 4.975 4.939 5.013 . 0 0 "[ . 1 .]" 1
696 1 47 ILE MG 1 48 THR HB 4.000 2.800 6.000 4.935 4.254 5.279 . 0 0 "[ . 1 .]" 1
697 1 48 THR HB 1 50 ILE MD 4.000 . 6.000 4.612 3.611 5.008 . 0 0 "[ . 1 .]" 1
698 1 48 THR HB 1 50 ILE QG 4.000 . 6.000 3.736 3.508 4.331 . 0 0 "[ . 1 .]" 1
699 1 94 LEU HG 1 95 PRO QB 4.000 . 6.000 5.049 4.188 5.468 . 0 0 "[ . 1 .]" 1
700 1 56 LEU HA 1 59 ALA MB 4.000 . 6.000 2.530 2.180 2.863 . 0 0 "[ . 1 .]" 1
701 1 56 LEU HA 1 74 LEU QD 4.000 . 6.000 2.762 2.235 3.325 . 0 0 "[ . 1 .]" 1
702 1 59 ALA MB 1 60 LEU QB 4.000 . 6.000 3.855 3.717 4.012 . 0 0 "[ . 1 .]" 1
703 1 59 ALA HA 1 60 LEU QB 4.000 . 6.000 5.185 5.137 5.234 . 0 0 "[ . 1 .]" 1
704 1 154 GLU HA 1 157 ILE HB 3.000 . 5.000 4.080 2.285 5.239 0.239 1 0 "[ . 1 .]" 1
705 1 66 ASN QB 1 69 LEU QD 4.000 . 6.000 1.997 1.837 2.078 . 0 0 "[ . 1 .]" 1
706 1 67 LEU HG 1 68 GLU HA 4.000 . 6.000 4.728 3.083 5.691 . 0 0 "[ . 1 .]" 1
707 1 68 GLU HA 1 71 VAL QG 4.000 . 6.000 2.024 1.931 2.768 . 0 0 "[ . 1 .]" 1
708 1 56 LEU QD 1 59 ALA MB 4.000 . 6.000 3.263 3.071 3.605 . 0 0 "[ . 1 .]" 1
709 1 82 PRO QD 1 83 GLN QB 4.000 . 5.000 3.592 3.330 3.781 . 0 0 "[ . 1 .]" 1
710 1 129 SER HA 1 132 GLU QB 4.000 . 5.000 2.856 2.339 3.458 . 0 0 "[ . 1 .]" 1
711 1 40 PHE QB 1 41 LEU HG 4.000 . 5.000 2.848 2.565 3.399 . 0 0 "[ . 1 .]" 1
712 1 41 LEU QB 1 42 ASN HA 4.000 . 6.000 3.849 3.752 3.925 . 0 0 "[ . 1 .]" 1
713 1 42 ASN HA 1 45 ARG QG 4.000 . 6.000 4.802 4.107 5.274 . 0 0 "[ . 1 .]" 1
714 1 74 LEU QB 1 75 THR MG 4.000 . 6.000 3.014 2.478 3.684 . 0 0 "[ . 1 .]" 1
715 1 41 LEU HG 1 60 LEU QD 4.000 . 6.000 3.776 2.731 4.549 . 0 0 "[ . 1 .]" 1
716 1 41 LEU HG 1 42 ASN H 4.000 . 6.000 4.116 3.507 4.552 . 0 0 "[ . 1 .]" 1
717 1 38 GLN HA 1 41 LEU HG 4.000 . 6.000 4.557 3.882 5.564 . 0 0 "[ . 1 .]" 1
718 1 47 ILE MD 1 48 THR MG 4.000 . 6.000 2.318 1.839 3.200 . 0 0 "[ . 1 .]" 1
719 1 43 GLN QB 1 47 ILE MD 4.000 . 6.000 2.493 1.893 3.505 . 0 0 "[ . 1 .]" 1
720 1 47 ILE HA 1 47 ILE MD 4.000 . 5.000 3.626 3.318 3.786 . 0 0 "[ . 1 .]" 1
721 1 43 GLN HA 1 47 ILE MD 4.000 . 6.000 3.635 2.627 4.314 . 0 0 "[ . 1 .]" 1
722 1 80 LYS QE 1 82 PRO QD 4.000 . 5.000 3.391 2.428 3.929 . 0 0 "[ . 1 .]" 1
723 1 81 THR MG 1 82 PRO QD 4.000 . 5.000 3.456 2.142 3.722 . 0 0 "[ . 1 .]" 1
724 1 81 THR HB 1 82 PRO QD 4.000 . 5.000 3.814 2.153 4.401 . 0 0 "[ . 1 .]" 1
725 1 81 THR HA 1 82 PRO QD 4.000 . 5.000 2.532 2.034 3.437 . 0 0 "[ . 1 .]" 1
726 1 144 ASP QB 1 147 GLN QB 4.000 . 6.000 3.313 2.044 4.627 . 0 0 "[ . 1 .]" 1
727 1 71 VAL QG 1 72 ALA HA 4.000 . 6.000 2.834 2.716 2.905 . 0 0 "[ . 1 .]" 1
728 1 71 VAL HA 1 72 ALA HA 4.000 . 6.000 4.828 4.775 4.858 . 0 0 "[ . 1 .]" 1
729 1 36 HIS HA 1 39 THR MG 4.000 . 6.000 3.536 2.712 4.566 . 0 0 "[ . 1 .]" 1
730 1 80 LYS HA 1 80 LYS QE 4.000 . 5.000 4.071 2.408 4.377 . 0 0 "[ . 1 .]" 1
731 1 47 ILE HB 1 48 THR HA 4.000 . 6.000 4.156 3.833 4.826 . 0 0 "[ . 1 .]" 1
732 1 47 ILE MG 1 48 THR HA 4.000 . 6.000 4.606 3.656 5.271 . 0 0 "[ . 1 .]" 1
733 1 48 THR HA 1 71 VAL QG 4.000 . 6.000 3.519 3.256 3.770 . 0 0 "[ . 1 .]" 1
734 1 48 THR HA 1 50 ILE QG 4.000 . 6.000 4.362 4.033 5.165 . 0 0 "[ . 1 .]" 1
735 1 40 PHE HZ 1 67 LEU QB 4.000 . 6.000 3.945 3.428 4.602 . 0 0 "[ . 1 .]" 1
736 1 40 PHE QE 1 67 LEU QB 4.000 . 6.000 3.159 2.297 3.910 . 0 0 "[ . 1 .]" 1
737 1 60 LEU HA 1 60 LEU HG 4.000 . 6.000 3.392 2.287 3.923 . 0 0 "[ . 1 .]" 1
738 1 122 LEU HA 1 125 ALA MB 3.000 . 3.300 2.327 2.181 2.564 . 0 0 "[ . 1 .]" 1
739 1 122 LEU HA 1 122 LEU QD 4.000 . 6.000 2.723 1.920 3.339 . 0 0 "[ . 1 .]" 1
740 1 124 ARG QB 1 124 ARG QD 3.000 . 3.300 2.204 2.063 2.525 . 0 0 "[ . 1 .]" 1
741 1 47 ILE HB 1 71 VAL QG 4.000 . 6.000 2.728 1.932 3.918 . 0 0 "[ . 1 .]" 1
742 1 46 GLU HA 1 48 THR H 5.000 3.800 5.300 5.120 4.806 5.277 . 0 0 "[ . 1 .]" 1
743 1 45 ARG QG 1 46 GLU HA 4.000 . 6.000 4.003 3.091 4.895 . 0 0 "[ . 1 .]" 1
744 1 52 ASP QB 1 55 ILE QG 4.000 . 5.000 2.477 1.895 3.506 . 0 0 "[ . 1 .]" 1
745 1 54 GLN QB 1 55 ILE QG 5.000 2.800 6.000 3.416 2.786 4.225 0.014 9 0 "[ . 1 .]" 1
746 1 38 GLN QB 1 40 PHE H 4.000 . 6.000 4.569 4.256 5.041 . 0 0 "[ . 1 .]" 1
747 1 38 GLN QB 1 39 THR HA 4.000 2.800 4.300 3.801 3.629 3.922 . 0 0 "[ . 1 .]" 1
748 1 43 GLN HA 1 46 GLU QG 5.000 3.800 5.300 4.096 2.999 4.585 0.801 9 1 "[ . +1 .]" 1
749 1 121 ASP HA 1 124 ARG QB 3.000 . 3.300 2.810 2.602 3.055 . 0 0 "[ . 1 .]" 1
750 1 92 THR HA 1 92 THR MG 4.000 2.800 4.300 2.373 2.170 3.166 0.630 1 8 "[+-**** * 1* .]" 1
751 1 43 GLN QB 1 67 LEU QD 4.000 . 6.000 2.052 1.875 2.260 . 0 0 "[ . 1 .]" 1
752 1 43 GLN QB 1 44 LEU QD 4.000 . 6.000 3.863 3.118 4.122 . 0 0 "[ . 1 .]" 1
753 1 39 THR MG 1 43 GLN QB 4.000 . 6.000 3.966 3.629 4.286 . 0 0 "[ . 1 .]" 1
754 1 36 HIS QB 1 37 GLN QB 4.000 . 6.000 4.249 3.628 4.686 . 0 0 "[ . 1 .]" 1
755 1 50 ILE MD 1 74 LEU QB 4.000 . 6.000 3.315 2.222 4.152 . 0 0 "[ . 1 .]" 1
756 1 71 VAL HA 1 74 LEU QB 4.000 . 6.000 3.078 2.662 3.401 . 0 0 "[ . 1 .]" 1
757 1 40 PHE QE 1 67 LEU HG 4.000 . 6.000 4.854 2.670 5.430 . 0 0 "[ . 1 .]" 1
758 1 47 ILE MD 1 67 LEU HG 4.000 . 6.000 3.671 2.902 4.870 . 0 0 "[ . 1 .]" 1
759 1 67 LEU HA 1 67 LEU HG 4.000 . 6.000 3.312 2.209 3.671 . 0 0 "[ . 1 .]" 1
760 1 47 ILE HA 1 47 ILE MG 4.000 2.800 4.300 2.288 2.117 2.599 0.683 3 10 "[* + *** *- ***.]" 1
761 1 47 ILE MG 1 71 VAL QG 4.000 . 6.000 2.936 2.297 3.624 . 0 0 "[ . 1 .]" 1
762 1 47 ILE MG 1 67 LEU QD 4.000 . 6.000 3.214 2.976 3.538 . 0 0 "[ . 1 .]" 1
763 1 68 GLU QG 1 71 VAL QG 4.000 . 6.000 3.055 2.856 3.463 . 0 0 "[ . 1 .]" 1
764 1 100 TYR HA 1 100 TYR QE 4.000 . 6.000 4.381 4.126 4.904 . 0 0 "[ . 1 .]" 1
765 1 82 PRO HA 1 82 PRO QD 4.000 2.800 4.300 3.510 3.407 3.538 . 0 0 "[ . 1 .]" 1
766 1 95 PRO HA 1 95 PRO QD 4.000 2.800 4.300 3.361 3.214 3.498 . 0 0 "[ . 1 .]" 1
767 1 95 PRO HA 1 95 PRO QG 4.000 2.800 4.300 3.213 2.873 3.527 . 0 0 "[ . 1 .]" 1
768 1 93 ALA HA 1 95 PRO QD 4.000 . 6.000 4.085 2.608 5.308 . 0 0 "[ . 1 .]" 1
769 1 70 ALA HA 1 73 PHE QB 4.000 . 6.000 2.250 2.126 3.039 . 0 0 "[ . 1 .]" 1
770 1 35 LYS QB 1 35 LYS QE 4.000 . 6.000 3.110 2.085 3.748 . 0 0 "[ . 1 .]" 1
771 1 35 LYS QB 1 36 HIS HA 4.000 . 6.000 4.229 3.932 4.664 . 0 0 "[ . 1 .]" 1
772 1 41 LEU QD 1 58 GLN H 4.000 . 6.000 4.251 4.141 4.459 . 0 0 "[ . 1 .]" 1
773 1 41 LEU QD 1 57 GLN QB 4.000 . 6.000 2.803 2.297 3.485 . 0 0 "[ . 1 .]" 1
774 1 127 ALA HA 1 130 LEU QB 3.000 . 3.300 2.441 2.192 2.880 . 0 0 "[ . 1 .]" 1
775 1 124 ARG HA 1 127 ALA MB 3.000 . 3.300 2.188 2.119 2.292 . 0 0 "[ . 1 .]" 1
776 1 112 ILE HA 1 112 ILE HB 3.000 . 3.300 2.552 2.307 2.663 . 0 0 "[ . 1 .]" 1
777 1 47 ILE HA 1 47 ILE QG 4.000 . 4.300 2.995 2.475 3.516 . 0 0 "[ . 1 .]" 1
778 1 111 VAL HA 1 111 VAL QG 3.000 . 3.300 2.134 2.076 2.261 . 0 0 "[ . 1 .]" 1
779 1 146 GLU HA 1 149 ILE HB 3.000 . 5.000 3.729 3.097 4.994 . 0 0 "[ . 1 .]" 1
780 1 38 GLN HA 1 41 LEU QD 4.000 . 6.000 3.336 2.368 4.093 . 0 0 "[ . 1 .]" 1
781 1 38 GLN HA 1 41 LEU QB 4.000 . 6.000 3.445 2.530 4.464 . 0 0 "[ . 1 .]" 1
782 1 134 ASN HA 1 137 PHE QB 3.000 . 3.300 2.866 2.543 3.079 . 0 0 "[ . 1 .]" 1
783 1 54 GLN HA 1 54 GLN QG 3.000 . 3.300 2.493 2.058 3.128 . 0 0 "[ . 1 .]" 1
784 1 47 ILE QG 1 71 VAL QG 4.000 . 6.000 2.967 1.784 3.834 0.016 10 0 "[ . 1 .]" 1
785 1 71 VAL HA 1 71 VAL QG 3.000 . 3.300 2.237 2.054 2.381 . 0 0 "[ . 1 .]" 1
786 1 133 SER HA 1 136 ALA MB 3.000 . 3.300 2.349 2.153 2.601 . 0 0 "[ . 1 .]" 1
787 1 50 ILE QG 1 50 ILE MG 3.000 . 3.300 2.280 1.948 2.495 . 0 0 "[ . 1 .]" 1
788 1 45 ARG HA 1 50 ILE MG 4.000 . 6.000 3.983 3.439 4.940 . 0 0 "[ . 1 .]" 1
789 1 44 LEU HA 1 44 LEU QD 4.000 . 6.000 2.211 2.015 2.915 . 0 0 "[ . 1 .]" 1
790 1 33 ALA MB 1 34 GLN HA 4.000 . 6.000 3.803 3.632 3.908 . 0 0 "[ . 1 .]" 1
791 1 24 GLU HA 1 24 GLU QG 3.000 . 3.300 2.283 2.122 2.582 . 0 0 "[ . 1 .]" 1
792 1 47 ILE QG 1 48 THR MG 4.000 . 6.000 3.631 2.252 4.334 . 0 0 "[ . 1 .]" 1
793 1 95 PRO QB 1 96 GLY QA 4.000 . 6.000 4.125 3.776 4.587 . 0 0 "[ . 1 .]" 1
794 1 63 SER QB 1 69 LEU QB 4.000 . 6.000 2.618 1.828 4.781 . 0 0 "[ . 1 .]" 1
795 1 63 SER QB 1 73 PHE QE 4.000 . 6.000 3.924 2.985 4.992 . 0 0 "[ . 1 .]" 1
796 1 63 SER QB 1 70 ALA MB 5.000 2.800 6.000 2.489 2.028 3.141 0.772 14 3 "[ . -* +.]" 1
797 1 63 SER QB 1 69 LEU HG 4.000 . 6.000 4.084 3.641 4.641 . 0 0 "[ . 1 .]" 1
798 1 70 ALA MB 1 71 VAL HB 4.000 . 6.000 4.035 3.798 4.247 . 0 0 "[ . 1 .]" 1
799 1 67 LEU HA 1 70 ALA MB 4.000 . 6.000 2.349 2.093 2.876 . 0 0 "[ . 1 .]" 1
800 1 70 ALA MB 1 74 LEU QD 4.000 . 6.000 3.268 2.988 3.670 . 0 0 "[ . 1 .]" 1
801 1 70 ALA MB 1 71 VAL HA 4.000 . 6.000 3.746 3.664 3.884 . 0 0 "[ . 1 .]" 1
802 1 70 ALA MB 1 73 PHE QB 4.000 . 6.000 3.631 3.323 4.187 . 0 0 "[ . 1 .]" 1
803 1 35 LYS HA 1 36 HIS QB 4.000 . 6.000 5.200 5.098 5.379 . 0 0 "[ . 1 .]" 1
804 1 143 THR HA 1 143 THR MG 3.000 . 3.300 2.296 2.115 2.551 . 0 0 "[ . 1 .]" 1
805 1 40 PHE HZ 1 67 LEU HA 4.000 . 6.000 2.557 2.182 3.122 . 0 0 "[ . 1 .]" 1
806 1 40 PHE QE 1 67 LEU HA 4.000 . 6.000 3.019 2.281 3.591 . 0 0 "[ . 1 .]" 1
807 1 50 ILE QG 1 56 LEU QD 4.000 . 6.000 3.181 2.505 3.845 . 0 0 "[ . 1 .]" 1
808 1 101 ILE HB 1 101 ILE MD 3.000 . 3.300 2.369 2.147 2.554 . 0 0 "[ . 1 .]" 1
809 1 101 ILE HA 1 101 ILE HB 3.000 . 3.300 2.926 2.659 3.021 . 0 0 "[ . 1 .]" 1
810 1 45 ARG HA 1 56 LEU QD 4.000 . 6.000 2.666 2.131 2.942 . 0 0 "[ . 1 .]" 1
811 1 45 ARG HA 1 45 ARG QG 3.000 . 3.300 2.462 2.155 2.893 . 0 0 "[ . 1 .]" 1
812 1 152 VAL HA 1 152 VAL HB 3.000 . 5.000 2.915 2.375 3.028 . 0 0 "[ . 1 .]" 1
813 1 152 VAL HA 1 155 ALA MB 3.000 . 4.000 2.724 2.132 3.180 . 0 0 "[ . 1 .]" 1
814 1 73 PHE QB 1 76 ALA MB 4.000 . 6.000 4.418 4.312 4.486 . 0 0 "[ . 1 .]" 1
815 1 61 LYS HA 1 61 LYS QD 3.000 . 3.300 2.479 2.186 3.037 . 0 0 "[ . 1 .]" 1
816 1 37 GLN QB 1 41 LEU QD 4.000 . 5.000 2.479 2.157 3.414 . 0 0 "[ . 1 .]" 1
817 1 89 TYR HA 1 90 TYR QB 4.500 3.300 5.500 4.469 4.108 4.842 . 0 0 "[ . 1 .]" 1
818 1 37 GLN QG 1 41 LEU QD 4.000 . 5.000 2.721 1.877 3.289 . 0 0 "[ . 1 .]" 1
819 1 28 LEU QD 1 29 GLN HA 4.000 . 6.000 3.494 2.558 4.144 . 0 0 "[ . 1 .]" 1
820 1 29 GLN HA 1 29 GLN QG 3.000 . 3.300 2.282 2.124 2.490 . 0 0 "[ . 1 .]" 1
821 1 138 ARG QB 1 138 ARG QD 3.000 . 3.300 2.315 2.062 2.668 . 0 0 "[ . 1 .]" 1
822 1 123 GLN HA 1 123 GLN QG 3.000 . 3.300 2.282 2.112 2.614 . 0 0 "[ . 1 .]" 1
823 1 43 GLN HA 1 47 ILE H 4.000 2.800 4.300 3.759 3.340 4.318 0.018 15 0 "[ . 1 .]" 1
824 1 112 ILE HA 1 112 ILE QG 2.500 . 2.700 2.235 2.087 2.565 . 0 0 "[ . 1 .]" 1
825 1 111 VAL HB 1 112 ILE HA 3.500 2.500 3.700 3.798 3.745 3.840 0.140 10 0 "[ . 1 .]" 1
826 1 26 ASN HA 1 27 VAL QG 4.000 . 6.000 3.497 2.900 4.168 . 0 0 "[ . 1 .]" 1
827 1 58 GLN HA 1 61 LYS QE 4.000 . 6.000 4.485 3.501 5.373 . 0 0 "[ . 1 .]" 1
828 1 122 LEU QD 1 124 ARG H 4.000 . 6.000 4.170 3.760 4.535 . 0 0 "[ . 1 .]" 1
829 1 28 LEU QD 1 29 GLN QB 4.000 . 6.000 3.087 2.081 4.019 . 0 0 "[ . 1 .]" 1
830 1 60 LEU HG 1 65 GLY QA 4.000 . 6.000 4.328 2.569 5.192 . 0 0 "[ . 1 .]" 1
831 1 123 GLN HA 1 126 ILE HB 4.000 . 6.000 4.383 3.498 5.329 . 0 0 "[ . 1 .]" 1
832 1 44 LEU HG 1 67 LEU QD 4.000 . 6.000 2.425 1.927 3.757 . 0 0 "[ . 1 .]" 1
833 1 66 ASN QB 1 68 GLU QB 4.000 . 6.000 4.251 3.968 4.440 . 0 0 "[ . 1 .]" 1
834 1 71 VAL QG 1 74 LEU QB 4.000 . 6.000 3.368 3.187 3.557 . 0 0 "[ . 1 .]" 1
835 1 115 THR HB 1 115 THR MG 3.000 2.300 3.200 2.125 2.105 2.148 0.195 6 0 "[ . 1 .]" 1
836 1 50 ILE MD 1 51 ASN H 4.000 . 6.000 3.460 2.671 4.489 . 0 0 "[ . 1 .]" 1
837 1 44 LEU QD 1 56 LEU QB 4.000 . 6.000 2.375 1.919 3.461 . 0 0 "[ . 1 .]" 1
838 1 44 LEU QD 1 70 ALA MB 4.000 . 6.000 1.754 1.690 1.972 0.110 15 0 "[ . 1 .]" 1
839 1 44 LEU QD 1 59 ALA HA 4.000 . 6.000 4.345 4.065 4.479 . 0 0 "[ . 1 .]" 1
840 1 39 THR MG 1 42 ASN QB 4.000 . 6.000 4.167 3.750 4.427 . 0 0 "[ . 1 .]" 1
841 1 36 HIS QB 1 39 THR MG 4.000 . 6.000 4.044 3.418 4.423 . 0 0 "[ . 1 .]" 1
842 1 59 ALA HA 1 62 ASP QB 4.000 . 6.000 3.200 2.816 4.370 . 0 0 "[ . 1 .]" 1
843 1 66 ASN H 1 69 LEU HG 4.000 . 6.000 5.301 4.837 5.954 . 0 0 "[ . 1 .]" 1
844 1 59 ALA HA 1 61 LYS QB 4.000 . 6.000 4.964 4.670 5.256 . 0 0 "[ . 1 .]" 1
845 1 100 TYR QB 1 101 ILE QG 3.000 2.300 3.200 2.255 2.094 2.491 0.206 10 0 "[ . 1 .]" 1
846 1 137 PHE QD 1 138 ARG HA 4.500 3.500 5.500 4.008 2.418 5.145 1.082 10 2 "[ - . + .]" 1
847 1 39 THR HA 1 39 THR MG 3.500 2.800 3.700 3.075 3.019 3.130 . 0 0 "[ . 1 .]" 1
848 1 39 THR HA 1 41 LEU H 4.500 3.500 4.700 4.712 4.446 4.760 0.060 2 0 "[ . 1 .]" 1
849 1 48 THR MG 1 74 LEU QD 4.000 . 6.000 2.227 1.996 3.062 . 0 0 "[ . 1 .]" 1
850 1 108 ASP QB 1 109 THR H 4.000 . 6.000 3.495 2.150 4.059 . 0 0 "[ . 1 .]" 1
851 1 149 ILE HA 1 152 VAL HB 3.000 . 5.000 3.315 2.519 4.638 . 0 0 "[ . 1 .]" 1
852 1 149 ILE HA 1 149 ILE HB 3.000 . 5.000 2.875 2.407 3.027 . 0 0 "[ . 1 .]" 1
853 1 66 ASN QB 1 69 LEU HG 4.000 . 6.000 2.679 2.084 4.063 . 0 0 "[ . 1 .]" 1
854 1 101 ILE HA 1 101 ILE QG 3.500 2.800 3.700 2.748 2.465 3.227 0.335 12 0 "[ . 1 .]" 1
855 1 44 LEU QD 1 71 VAL HA 4.000 . 6.000 2.402 1.888 3.576 . 0 0 "[ . 1 .]" 1
856 1 71 VAL HA 1 74 LEU H 4.000 . 6.000 3.465 3.202 3.636 . 0 0 "[ . 1 .]" 1
857 1 80 LYS QG 1 81 THR H 2.500 . 2.700 2.104 1.714 2.400 0.086 1 0 "[ . 1 .]" 1
858 1 58 GLN QB 1 59 ALA MB 4.000 . 6.000 3.875 3.719 3.989 . 0 0 "[ . 1 .]" 1
859 1 40 PHE HZ 1 67 LEU QD 4.000 . 6.000 3.134 2.708 4.089 . 0 0 "[ . 1 .]" 1
860 1 44 LEU QB 1 67 LEU QD 4.000 . 6.000 3.750 3.479 3.982 . 0 0 "[ . 1 .]" 1
861 1 67 LEU QD 1 71 VAL HB 4.000 . 6.000 2.704 2.250 3.237 . 0 0 "[ . 1 .]" 1
862 1 59 ALA MB 1 73 PHE HA 4.000 . 6.000 4.885 4.780 4.989 . 0 0 "[ . 1 .]" 1
863 1 40 PHE QE 1 67 LEU QD 4.000 . 6.000 2.716 2.304 3.293 . 0 0 "[ . 1 .]" 1
864 1 44 LEU QD 1 59 ALA MB 4.000 . 6.000 2.009 1.792 2.137 0.008 3 0 "[ . 1 .]" 1
865 1 59 ALA MB 1 74 LEU QD 4.000 . 6.000 1.928 1.808 2.159 . 0 0 "[ . 1 .]" 1
866 1 30 GLN QB 1 31 SER H 4.000 . 6.000 2.694 1.746 4.043 0.054 7 0 "[ . 1 .]" 1
867 1 57 GLN HA 1 60 LEU QD 4.000 . 6.000 3.738 2.981 4.208 . 0 0 "[ . 1 .]" 1
868 1 41 LEU QB 1 41 LEU QD 2.500 . 2.700 1.892 1.855 1.962 . 0 0 "[ . 1 .]" 1
869 1 74 LEU HA 1 74 LEU QD 4.000 . 6.000 2.464 1.910 2.850 . 0 0 "[ . 1 .]" 1
870 1 28 LEU QB 1 28 LEU QD 2.500 . 2.700 1.916 1.843 1.994 . 0 0 "[ . 1 .]" 1
871 1 37 GLN HA 1 40 PHE QB 3.000 . 5.000 2.305 1.967 3.151 . 0 0 "[ . 1 .]" 1
872 1 37 GLN HA 1 40 PHE H 3.000 . 5.000 3.432 2.988 3.785 . 0 0 "[ . 1 .]" 1
873 1 38 GLN HA 1 40 PHE H 4.000 . 6.000 4.724 4.420 4.960 . 0 0 "[ . 1 .]" 1
874 1 39 THR HA 1 42 ASN H 3.000 . 5.000 3.458 3.282 3.594 . 0 0 "[ . 1 .]" 1
875 1 40 PHE HA 1 43 GLN QB 3.000 . 5.000 2.933 2.481 3.300 . 0 0 "[ . 1 .]" 1
876 1 40 PHE HA 1 43 GLN H 3.000 . 5.000 3.731 3.480 3.921 . 0 0 "[ . 1 .]" 1
877 1 41 LEU HA 1 44 LEU H 3.000 . 5.000 3.180 2.950 3.340 . 0 0 "[ . 1 .]" 1
878 1 42 ASN HA 1 45 ARG QB 3.000 . 5.000 2.958 2.598 3.185 . 0 0 "[ . 1 .]" 1
879 1 43 GLN HA 1 46 GLU H 3.000 . 5.000 3.034 2.677 3.388 . 0 0 "[ . 1 .]" 1
880 1 44 LEU HA 1 46 GLU H 4.000 . 6.000 3.981 3.696 4.175 . 0 0 "[ . 1 .]" 1
881 1 54 GLN HA 1 57 GLN QB 3.000 . 5.000 3.651 2.744 4.355 . 0 0 "[ . 1 .]" 1
882 1 55 ILE HA 1 59 ALA H 4.000 . 6.000 4.367 3.997 4.823 . 0 0 "[ . 1 .]" 1
883 1 56 LEU HA 1 58 GLN H 4.000 . 6.000 3.899 3.681 4.152 . 0 0 "[ . 1 .]" 1
884 1 60 LEU HA 1 63 SER QB 3.000 . 5.000 2.636 2.112 3.711 . 0 0 "[ . 1 .]" 1
885 1 60 LEU HA 1 63 SER H 3.000 . 5.000 3.256 2.914 3.657 . 0 0 "[ . 1 .]" 1
886 1 67 LEU HA 1 71 VAL H 4.000 . 6.000 3.526 3.256 3.972 . 0 0 "[ . 1 .]" 1
887 1 67 LEU HA 1 70 ALA H 3.000 . 5.000 2.886 2.611 3.447 . 0 0 "[ . 1 .]" 1
888 1 67 LEU HA 1 69 LEU H 4.000 . 6.000 3.696 3.468 4.122 . 0 0 "[ . 1 .]" 1
889 1 68 GLU HA 1 72 ALA H 4.000 . 6.000 3.805 3.615 4.097 . 0 0 "[ . 1 .]" 1
890 1 69 LEU HA 1 72 ALA MB 3.000 . 5.000 2.214 2.066 2.408 . 0 0 "[ . 1 .]" 1
891 1 70 ALA HA 1 72 ALA H 4.000 . 6.000 4.644 3.937 5.074 . 0 0 "[ . 1 .]" 1
892 1 72 ALA HA 1 75 THR HB 3.000 . 5.000 4.737 4.174 5.031 0.031 6 0 "[ . 1 .]" 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 82
_Distance_constraint_stats_list.Viol_count 257
_Distance_constraint_stats_list.Viol_total 128.166
_Distance_constraint_stats_list.Viol_max 0.159
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0332
_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 37 GLN 0.070 0.046 7 0 "[ . 1 .]"
1 38 GLN 0.252 0.096 1 0 "[ . 1 .]"
1 39 THR 0.157 0.040 1 0 "[ . 1 .]"
1 40 PHE 0.135 0.080 4 0 "[ . 1 .]"
1 41 LEU 0.131 0.046 7 0 "[ . 1 .]"
1 42 ASN 0.643 0.107 8 0 "[ . 1 .]"
1 43 GLN 0.157 0.040 1 0 "[ . 1 .]"
1 44 LEU 0.135 0.080 4 0 "[ . 1 .]"
1 45 ARG 0.062 0.038 9 0 "[ . 1 .]"
1 46 GLU 0.391 0.107 8 0 "[ . 1 .]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 54 GLN 0.298 0.038 10 0 "[ . 1 .]"
1 55 ILE 0.040 0.018 5 0 "[ . 1 .]"
1 56 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 57 GLN 0.281 0.047 8 0 "[ . 1 .]"
1 58 GLN 0.369 0.038 10 0 "[ . 1 .]"
1 59 ALA 0.123 0.033 12 0 "[ . 1 .]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 61 LYS 0.281 0.047 8 0 "[ . 1 .]"
1 62 ASP 0.072 0.032 3 0 "[ . 1 .]"
1 63 SER 0.083 0.033 12 0 "[ . 1 .]"
1 67 LEU 0.374 0.077 14 0 "[ . 1 .]"
1 68 GLU 0.212 0.063 14 0 "[ . 1 .]"
1 69 LEU 1.112 0.127 8 0 "[ . 1 .]"
1 70 ALA 0.086 0.024 1 0 "[ . 1 .]"
1 71 VAL 0.466 0.077 14 0 "[ . 1 .]"
1 72 ALA 0.212 0.063 14 0 "[ . 1 .]"
1 73 PHE 1.112 0.127 8 0 "[ . 1 .]"
1 74 LEU 0.086 0.024 1 0 "[ . 1 .]"
1 75 THR 0.092 0.048 15 0 "[ . 1 .]"
1 121 ASP 0.563 0.065 15 0 "[ . 1 .]"
1 122 LEU 0.072 0.027 12 0 "[ . 1 .]"
1 123 GLN 0.932 0.071 14 0 "[ . 1 .]"
1 124 ARG 0.211 0.058 9 0 "[ . 1 .]"
1 125 ALA 1.060 0.067 15 0 "[ . 1 .]"
1 126 ILE 0.270 0.072 13 0 "[ . 1 .]"
1 127 ALA 1.286 0.071 14 0 "[ . 1 .]"
1 128 LEU 0.363 0.058 9 0 "[ . 1 .]"
1 129 SER 0.599 0.067 15 0 "[ . 1 .]"
1 130 LEU 0.286 0.072 13 0 "[ . 1 .]"
1 131 ALA 0.870 0.071 15 0 "[ . 1 .]"
1 132 GLU 0.506 0.048 12 0 "[ . 1 .]"
1 133 SER 0.102 0.048 12 0 "[ . 1 .]"
1 134 ASN 0.088 0.031 15 0 "[ . 1 .]"
1 135 ARG 0.516 0.071 15 0 "[ . 1 .]"
1 136 ALA 0.354 0.046 6 0 "[ . 1 .]"
1 144 ASP 0.016 0.016 2 0 "[ . 1 .]"
1 145 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 146 GLU 0.051 0.020 9 0 "[ . 1 .]"
1 147 GLN 0.010 0.009 10 0 "[ . 1 .]"
1 148 ALA 0.034 0.018 5 0 "[ . 1 .]"
1 149 ILE 0.023 0.019 15 0 "[ . 1 .]"
1 150 SER 0.079 0.020 9 0 "[ . 1 .]"
1 151 ARG 0.015 0.009 10 0 "[ . 1 .]"
1 152 VAL 0.099 0.056 1 0 "[ . 1 .]"
1 153 LEU 0.132 0.109 2 0 "[ . 1 .]"
1 154 GLU 0.476 0.159 1 0 "[ . 1 .]"
1 155 ALA 0.005 0.005 2 0 "[ . 1 .]"
1 156 SER 0.081 0.056 1 0 "[ . 1 .]"
1 157 ILE 0.109 0.109 2 0 "[ . 1 .]"
1 158 ALA 0.448 0.159 1 0 "[ . 1 .]"
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 37 GLN O 1 41 LEU H 2.150 . 2.500 1.908 1.754 2.129 0.046 7 0 "[ . 1 .]" 2
2 1 37 GLN O 1 41 LEU N 2.900 2.500 3.300 2.850 2.716 3.061 . 0 0 "[ . 1 .]" 2
3 1 38 GLN O 1 42 ASN H 2.150 . 2.500 2.031 1.704 2.410 0.096 1 0 "[ . 1 .]" 2
4 1 38 GLN O 1 42 ASN N 2.900 2.500 3.300 2.903 2.524 3.235 . 0 0 "[ . 1 .]" 2
5 1 39 THR O 1 43 GLN H 2.150 . 2.500 1.851 1.760 2.108 0.040 1 0 "[ . 1 .]" 2
6 1 39 THR O 1 43 GLN N 2.900 2.500 3.300 2.741 2.660 2.957 . 0 0 "[ . 1 .]" 2
7 1 40 PHE O 1 44 LEU H 2.150 . 2.500 2.214 1.906 2.462 . 0 0 "[ . 1 .]" 2
8 1 40 PHE O 1 44 LEU N 2.900 2.500 3.300 3.154 2.870 3.380 0.080 4 0 "[ . 1 .]" 2
9 1 41 LEU O 1 45 ARG H 2.150 . 2.500 2.319 2.044 2.538 0.038 9 0 "[ . 1 .]" 2
10 1 41 LEU O 1 45 ARG N 2.900 2.500 3.300 3.137 2.884 3.324 0.024 1 0 "[ . 1 .]" 2
11 1 42 ASN O 1 46 GLU H 2.150 . 2.500 2.484 2.130 2.607 0.107 8 0 "[ . 1 .]" 2
12 1 42 ASN O 1 46 GLU N 2.900 2.500 3.300 3.131 2.832 3.322 0.022 8 0 "[ . 1 .]" 2
13 1 43 GLN O 1 47 ILE H 2.150 . 2.500 2.011 1.869 2.212 . 0 0 "[ . 1 .]" 2
14 1 43 GLN O 1 47 ILE N 2.900 2.500 3.300 2.871 2.727 3.067 . 0 0 "[ . 1 .]" 2
15 1 54 GLN O 1 58 GLN H 2.150 . 2.500 2.475 2.277 2.538 0.038 10 0 "[ . 1 .]" 2
16 1 54 GLN O 1 58 GLN N 2.900 2.500 3.300 3.259 3.034 3.329 0.029 6 0 "[ . 1 .]" 2
17 1 55 ILE O 1 59 ALA H 2.150 . 2.500 2.217 1.864 2.517 0.017 5 0 "[ . 1 .]" 2
18 1 55 ILE O 1 59 ALA N 2.900 2.500 3.300 2.985 2.704 3.318 0.018 5 0 "[ . 1 .]" 2
19 1 56 LEU O 1 60 LEU H 2.150 . 2.500 2.094 1.880 2.361 . 0 0 "[ . 1 .]" 2
20 1 56 LEU O 1 60 LEU N 2.900 2.500 3.300 2.990 2.758 3.289 . 0 0 "[ . 1 .]" 2
21 1 57 GLN O 1 61 LYS H 2.150 . 2.500 2.386 2.205 2.501 0.001 8 0 "[ . 1 .]" 2
22 1 57 GLN O 1 61 LYS N 2.900 2.500 3.300 3.275 3.102 3.347 0.047 8 0 "[ . 1 .]" 2
23 1 58 GLN O 1 62 ASP H 2.150 . 2.500 2.367 2.099 2.502 0.002 12 0 "[ . 1 .]" 2
24 1 58 GLN O 1 62 ASP N 2.900 2.500 3.300 3.245 3.044 3.332 0.032 3 0 "[ . 1 .]" 2
25 1 59 ALA O 1 63 SER H 2.150 . 2.500 2.006 1.767 2.393 0.033 12 0 "[ . 1 .]" 2
26 1 59 ALA O 1 63 SER N 2.900 2.500 3.300 2.795 2.518 3.083 . 0 0 "[ . 1 .]" 2
27 1 67 LEU O 1 71 VAL H 2.150 . 2.500 1.811 1.723 1.981 0.077 14 0 "[ . 1 .]" 2
28 1 67 LEU O 1 71 VAL N 2.900 2.500 3.300 2.722 2.582 2.870 . 0 0 "[ . 1 .]" 2
29 1 68 GLU O 1 72 ALA H 2.150 . 2.500 2.385 2.036 2.563 0.063 14 0 "[ . 1 .]" 2
30 1 68 GLU O 1 72 ALA N 2.900 2.500 3.300 3.213 2.887 3.333 0.033 14 0 "[ . 1 .]" 2
31 1 69 LEU O 1 73 PHE H 2.150 . 2.500 1.823 1.673 2.329 0.127 8 0 "[ . 1 .]" 2
32 1 69 LEU O 1 73 PHE N 2.900 2.500 3.300 2.601 2.461 2.968 0.039 12 0 "[ . 1 .]" 2
33 1 70 ALA O 1 74 LEU H 2.150 . 2.500 2.399 1.980 2.524 0.024 1 0 "[ . 1 .]" 2
34 1 70 ALA O 1 74 LEU N 2.900 2.500 3.300 3.158 2.835 3.293 . 0 0 "[ . 1 .]" 2
35 1 71 VAL O 1 75 THR H 2.150 . 2.500 2.063 1.752 2.313 0.048 15 0 "[ . 1 .]" 2
36 1 71 VAL O 1 75 THR N 2.900 2.500 3.300 3.007 2.687 3.232 . 0 0 "[ . 1 .]" 2
37 1 121 ASP O 1 125 ALA H 2.150 . 2.500 2.522 2.441 2.565 0.065 15 0 "[ . 1 .]" 2
38 1 121 ASP O 1 125 ALA N 2.900 2.500 3.300 3.286 3.225 3.334 0.034 15 0 "[ . 1 .]" 2
39 1 122 LEU O 1 126 ILE H 2.150 . 2.500 2.304 2.034 2.465 . 0 0 "[ . 1 .]" 2
40 1 122 LEU O 1 126 ILE N 2.900 2.500 3.300 3.200 2.970 3.327 0.027 12 0 "[ . 1 .]" 2
41 1 123 GLN O 1 127 ALA H 2.150 . 2.500 2.525 2.436 2.571 0.071 14 0 "[ . 1 .]" 2
42 1 123 GLN O 1 127 ALA N 2.900 2.500 3.300 3.322 3.204 3.361 0.061 1 0 "[ . 1 .]" 2
43 1 124 ARG O 1 128 LEU H 2.150 . 2.500 1.815 1.742 1.939 0.058 9 0 "[ . 1 .]" 2
44 1 124 ARG O 1 128 LEU N 2.900 2.500 3.300 2.743 2.590 2.917 . 0 0 "[ . 1 .]" 2
45 1 125 ALA O 1 129 SER H 2.150 . 2.500 2.431 2.349 2.496 . 0 0 "[ . 1 .]" 2
46 1 125 ALA O 1 129 SER N 2.900 2.500 3.300 3.333 3.300 3.367 0.067 15 0 "[ . 1 .]" 2
47 1 126 ILE O 1 130 LEU H 2.150 . 2.500 1.862 1.728 2.112 0.072 13 0 "[ . 1 .]" 2
48 1 126 ILE O 1 130 LEU N 2.900 2.500 3.300 2.806 2.653 3.083 . 0 0 "[ . 1 .]" 2
49 1 127 ALA O 1 131 ALA H 2.150 . 2.500 2.505 2.415 2.558 0.058 1 0 "[ . 1 .]" 2
50 1 127 ALA O 1 131 ALA N 2.900 2.500 3.300 3.140 2.971 3.234 . 0 0 "[ . 1 .]" 2
51 1 128 LEU O 1 132 GLU H 2.150 . 2.500 2.350 2.178 2.493 . 0 0 "[ . 1 .]" 2
52 1 128 LEU O 1 132 GLU N 2.900 2.500 3.300 3.275 3.137 3.348 0.048 12 0 "[ . 1 .]" 2
53 1 129 SER O 1 133 SER H 2.150 . 2.500 2.269 1.986 2.513 0.013 12 0 "[ . 1 .]" 2
54 1 129 SER O 1 133 SER N 2.900 2.500 3.300 3.116 2.830 3.348 0.048 12 0 "[ . 1 .]" 2
55 1 130 LEU O 1 134 ASN H 2.150 . 2.500 2.198 1.877 2.379 . 0 0 "[ . 1 .]" 2
56 1 130 LEU O 1 134 ASN N 2.900 2.500 3.300 3.101 2.726 3.331 0.031 15 0 "[ . 1 .]" 2
57 1 131 ALA O 1 135 ARG H 2.150 . 2.500 2.488 2.255 2.571 0.071 15 0 "[ . 1 .]" 2
58 1 131 ALA O 1 135 ARG N 2.900 2.500 3.300 3.196 2.902 3.331 0.031 10 0 "[ . 1 .]" 2
59 1 132 GLU O 1 136 ALA H 2.150 . 2.500 2.460 2.315 2.530 0.030 5 0 "[ . 1 .]" 2
60 1 132 GLU O 1 136 ALA N 2.900 2.500 3.300 3.281 3.097 3.346 0.046 6 0 "[ . 1 .]" 2
61 1 144 ASP O 1 148 ALA H 2.150 . 2.500 2.294 2.005 2.490 . 0 0 "[ . 1 .]" 2
62 1 144 ASP O 1 148 ALA N 2.900 2.500 3.300 3.133 2.905 3.316 0.016 2 0 "[ . 1 .]" 2
63 1 145 GLU O 1 149 ILE H 2.150 . 2.500 2.125 1.903 2.409 . 0 0 "[ . 1 .]" 2
64 1 145 GLU O 1 149 ILE N 2.900 2.500 3.300 3.023 2.741 3.270 . 0 0 "[ . 1 .]" 2
65 1 146 GLU O 1 150 SER H 2.150 . 2.500 2.328 2.152 2.505 0.005 11 0 "[ . 1 .]" 2
66 1 146 GLU O 1 150 SER N 2.900 2.500 3.300 3.220 3.026 3.320 0.020 9 0 "[ . 1 .]" 2
67 1 147 GLN O 1 151 ARG H 2.150 . 2.500 2.168 1.800 2.509 0.009 10 0 "[ . 1 .]" 2
68 1 147 GLN O 1 151 ARG N 2.900 2.500 3.300 3.029 2.596 3.300 0.000 5 0 "[ . 1 .]" 2
69 1 148 ALA O 1 152 VAL H 2.150 . 2.500 2.204 1.807 2.383 . 0 0 "[ . 1 .]" 2
70 1 148 ALA O 1 152 VAL N 2.900 2.500 3.300 3.137 2.732 3.318 0.018 5 0 "[ . 1 .]" 2
71 1 149 ILE O 1 153 LEU H 2.150 . 2.500 2.154 1.829 2.425 . 0 0 "[ . 1 .]" 2
72 1 149 ILE O 1 153 LEU N 2.900 2.500 3.300 3.089 2.706 3.319 0.019 15 0 "[ . 1 .]" 2
73 1 150 SER O 1 154 GLU H 2.150 . 2.500 2.206 1.796 2.514 0.014 2 0 "[ . 1 .]" 2
74 1 150 SER O 1 154 GLU N 2.900 2.500 3.300 3.118 2.764 3.310 0.010 4 0 "[ . 1 .]" 2
75 1 151 ARG O 1 155 ALA H 2.150 . 2.500 2.091 1.795 2.391 0.005 2 0 "[ . 1 .]" 2
76 1 151 ARG O 1 155 ALA N 2.900 2.500 3.300 3.008 2.670 3.292 . 0 0 "[ . 1 .]" 2
77 1 152 VAL O 1 156 SER H 2.150 . 2.500 2.281 1.915 2.513 0.013 1 0 "[ . 1 .]" 2
78 1 152 VAL O 1 156 SER N 2.900 2.500 3.300 3.014 2.550 3.356 0.056 1 0 "[ . 1 .]" 2
79 1 153 LEU O 1 157 ILE H 2.150 . 2.500 2.261 2.000 2.609 0.109 2 0 "[ . 1 .]" 2
80 1 153 LEU O 1 157 ILE N 2.900 2.500 3.300 2.929 2.618 3.216 . 0 0 "[ . 1 .]" 2
81 1 154 GLU O 1 158 ALA H 2.150 . 2.500 2.134 1.793 2.659 0.159 1 0 "[ . 1 .]" 2
82 1 154 GLU O 1 158 ALA N 2.900 2.500 3.300 2.841 2.521 3.380 0.080 1 0 "[ . 1 .]" 2
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