NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580233 |
2mcf   |
19438 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mcf
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 1560
_Distance_constraint_stats_list.Viol_count 2924
_Distance_constraint_stats_list.Viol_total 3234.906
_Distance_constraint_stats_list.Viol_max 2.497
_Distance_constraint_stats_list.Viol_rms 0.0784
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0738
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.550 0.076 5 0 "[ . 1 .]"
1 2 LYS 0.128 0.033 1 0 "[ . 1 .]"
1 3 TYR 2.145 0.087 15 0 "[ . 1 .]"
1 4 ASP 0.928 0.140 3 0 "[ . 1 .]"
1 5 VAL 1.845 0.132 10 0 "[ . 1 .]"
1 6 VAL 1.094 0.090 5 0 "[ . 1 .]"
1 7 ILE 0.619 0.091 3 0 "[ . 1 .]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 .]"
1 9 PRO 0.605 0.062 6 0 "[ . 1 .]"
1 10 GLU 0.863 0.093 14 0 "[ . 1 .]"
1 11 SER 1.086 0.170 6 0 "[ . 1 .]"
1 12 PHE 3.015 0.150 8 0 "[ . 1 .]"
1 13 HIS 3.538 0.150 8 0 "[ . 1 .]"
1 14 ARG 5.566 0.297 6 0 "[ . 1 .]"
1 15 PHE 6.930 0.284 6 0 "[ . 1 .]"
1 16 ASP 30.771 2.241 2 15 [*+*********-***]
1 17 LYS 29.168 2.241 2 15 [*+*********-***]
1 18 HIS 1.222 0.099 1 0 "[ . 1 .]"
1 19 ASN 2.164 0.103 11 0 "[ . 1 .]"
1 20 MET 2.729 0.451 1 0 "[ . 1 .]"
1 21 GLU 4.539 0.301 5 0 "[ . 1 .]"
1 22 HIS 2.025 0.185 13 0 "[ . 1 .]"
1 23 ILE 0.149 0.122 1 0 "[ . 1 .]"
1 24 CYS 0.520 0.093 14 0 "[ . 1 .]"
1 25 PRO 0.032 0.013 11 0 "[ . 1 .]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 27 MET 0.528 0.091 3 0 "[ . 1 .]"
1 28 VAL 1.529 0.146 9 0 "[ . 1 .]"
1 29 ILE 4.546 0.502 13 1 "[ . 1 + .]"
1 30 GLY 4.068 0.502 13 1 "[ . 1 + .]"
1 31 ASP 37.472 2.497 5 15 [****+*-********]
1 32 ARG 35.755 2.497 5 15 [****+*-********]
1 33 SER 2.003 0.091 13 0 "[ . 1 .]"
1 34 TYR 3.765 0.131 3 0 "[ . 1 .]"
1 35 ASP 3.339 0.131 3 0 "[ . 1 .]"
1 36 ILE 1.635 0.080 9 0 "[ . 1 .]"
1 37 ALA 1.356 0.102 10 0 "[ . 1 .]"
1 38 MET 1.867 0.112 7 0 "[ . 1 .]"
1 39 GLU 1.344 0.075 12 0 "[ . 1 .]"
1 40 ILE 1.259 0.048 2 0 "[ . 1 .]"
1 41 VAL 1.042 0.086 12 0 "[ . 1 .]"
1 42 ASN 1.366 0.082 6 0 "[ . 1 .]"
1 43 GLY 0.683 0.071 11 0 "[ . 1 .]"
1 44 VAL 1.466 0.093 3 0 "[ . 1 .]"
1 45 ASP 2.204 0.148 9 0 "[ . 1 .]"
1 46 ARG 1.759 0.075 13 0 "[ . 1 .]"
1 47 VAL 1.072 0.050 15 0 "[ . 1 .]"
1 48 ILE 4.310 0.148 9 0 "[ . 1 .]"
1 49 LYS 1.722 0.089 10 0 "[ . 1 .]"
1 50 ALA 1.450 0.093 12 0 "[ . 1 .]"
1 51 SER 3.822 0.165 1 0 "[ . 1 .]"
1 52 PHE 5.092 0.165 1 0 "[ . 1 .]"
1 53 ASN 3.466 0.142 10 0 "[ . 1 .]"
1 54 ALA 1.959 0.089 10 0 "[ . 1 .]"
1 55 SER 0.104 0.036 3 0 "[ . 1 .]"
1 56 VAL 0.853 0.068 1 0 "[ . 1 .]"
1 57 GLU 0.728 0.106 14 0 "[ . 1 .]"
1 58 GLU 0.111 0.069 1 0 "[ . 1 .]"
1 59 LEU 0.330 0.075 12 0 "[ . 1 .]"
1 60 GLU 1.023 0.091 6 0 "[ . 1 .]"
1 61 GLY 0.484 0.058 13 0 "[ . 1 .]"
1 62 GLU 2.215 0.177 1 0 "[ . 1 .]"
1 63 ASP 8.112 0.924 12 5 "[- * . 1 +* *]"
1 64 CYS 9.284 0.924 12 5 "[- * . 1 +* *]"
1 65 ASP 9.249 0.452 1 0 "[ . 1 .]"
1 66 VAL 2.501 0.188 9 0 "[ . 1 .]"
1 67 LEU 2.311 0.137 2 0 "[ . 1 .]"
1 68 TYR 2.829 0.109 5 0 "[ . 1 .]"
1 69 ARG 0.260 0.069 1 0 "[ . 1 .]"
1 70 LYS 1.180 0.105 4 0 "[ . 1 .]"
1 71 TYR 2.124 0.106 14 0 "[ . 1 .]"
1 72 THR 0.726 0.087 3 0 "[ . 1 .]"
1 73 LEU 0.307 0.053 1 0 "[ . 1 .]"
1 74 GLU 2.081 0.104 5 0 "[ . 1 .]"
1 75 LYS 2.249 0.120 3 0 "[ . 1 .]"
1 76 GLU 0.257 0.074 1 0 "[ . 1 .]"
1 77 GLY 0.405 0.061 1 0 "[ . 1 .]"
1 78 LYS 1.223 0.104 5 0 "[ . 1 .]"
1 79 LYS 1.114 0.130 6 0 "[ . 1 .]"
1 80 GLY 0.902 0.081 7 0 "[ . 1 .]"
1 81 ILE 1.590 0.136 8 0 "[ . 1 .]"
1 82 VAL 0.042 0.036 7 0 "[ . 1 .]"
1 83 HIS 2.742 0.153 14 0 "[ . 1 .]"
1 84 VAL 0.195 0.059 9 0 "[ . 1 .]"
1 85 LYS 1.084 0.109 5 0 "[ . 1 .]"
1 86 LEU 4.535 0.188 9 0 "[ . 1 .]"
1 87 ARG 0.342 0.078 8 0 "[ . 1 .]"
1 88 LYS 1.355 0.134 13 0 "[ . 1 .]"
1 89 ILE 0.458 0.120 9 0 "[ . 1 .]"
1 90 THR 1.682 0.107 7 0 "[ . 1 .]"
1 91 GLU 0.908 0.120 14 0 "[ . 1 .]"
1 92 ASN 0.895 0.120 14 0 "[ . 1 .]"
1 93 CYS 1.205 0.092 1 0 "[ . 1 .]"
1 94 PRO 0.388 0.107 7 0 "[ . 1 .]"
1 95 PRO 0.739 0.081 8 0 "[ . 1 .]"
1 96 VAL 2.246 0.129 5 0 "[ . 1 .]"
1 97 ASP 2.249 0.129 5 0 "[ . 1 .]"
1 98 GLY 1.698 0.136 6 0 "[ . 1 .]"
1 99 ASN 3.023 0.286 12 0 "[ . 1 .]"
1 100 ARG 0.206 0.043 9 0 "[ . 1 .]"
1 101 CYS 0.697 0.146 9 0 "[ . 1 .]"
1 102 SER 0.000 0.000 . 0 "[ . 1 .]"
1 103 VAL 2.238 0.193 1 0 "[ . 1 .]"
1 104 LEU 5.001 0.282 9 0 "[ . 1 .]"
1 105 GLU 3.396 0.282 9 0 "[ . 1 .]"
1 106 PHE 2.043 0.115 2 0 "[ . 1 .]"
1 107 GLU 3.091 0.135 8 0 "[ . 1 .]"
1 108 ARG 2.245 0.100 3 0 "[ . 1 .]"
1 109 ASP 2.090 0.104 3 0 "[ . 1 .]"
1 110 ILE 1.005 0.097 7 0 "[ . 1 .]"
1 111 GLU 1.127 0.089 11 0 "[ . 1 .]"
1 112 CYS 2.347 0.098 3 0 "[ . 1 .]"
1 113 ILE 1.701 0.102 15 0 "[ . 1 .]"
1 114 VAL 1.558 0.079 10 0 "[ . 1 .]"
1 115 LYS 1.344 0.095 10 0 "[ . 1 .]"
1 116 ALA 1.528 0.087 12 0 "[ . 1 .]"
1 117 ILE 2.600 0.063 3 0 "[ . 1 .]"
1 118 GLU 1.521 0.087 12 0 "[ . 1 .]"
1 119 GLU 1.571 0.099 14 0 "[ . 1 .]"
1 120 CYS 2.959 0.153 14 0 "[ . 1 .]"
1 121 LEU 1.441 0.067 15 0 "[ . 1 .]"
1 122 ALA 1.344 0.099 14 0 "[ . 1 .]"
1 123 LYS 3.228 0.172 3 0 "[ . 1 .]"
1 124 GLY 2.171 0.172 3 0 "[ . 1 .]"
1 125 GLU 1.956 0.244 9 0 "[ . 1 .]"
1 126 LEU 1.908 0.244 9 0 "[ . 1 .]"
1 127 ASN 0.776 0.093 6 0 "[ . 1 .]"
1 128 SER 1.997 0.229 3 0 "[ . 1 .]"
1 129 LYS 1.072 0.229 3 0 "[ . 1 .]"
1 130 LEU 0.663 0.084 10 0 "[ . 1 .]"
1 131 GLU 0.205 0.079 9 0 "[ . 1 .]"
1 132 GLY 0.090 0.079 9 0 "[ . 1 .]"
1 133 LYS 0.002 0.002 5 0 "[ . 1 .]"
1 134 PRO 0.002 0.002 5 0 "[ . 1 .]"
1 135 ILE 1.401 0.145 5 0 "[ . 1 .]"
1 136 PRO 1.344 0.145 5 0 "[ . 1 .]"
1 137 ASN 0.077 0.046 5 0 "[ . 1 .]"
1 138 PRO 0.225 0.073 14 0 "[ . 1 .]"
1 139 LEU 0.510 0.073 14 0 "[ . 1 .]"
1 140 LEU 0.208 0.050 12 0 "[ . 1 .]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 142 LEU 0.060 0.056 9 0 "[ . 1 .]"
1 143 ASP 0.060 0.056 9 0 "[ . 1 .]"
1 144 SER 0.373 0.138 7 0 "[ . 1 .]"
1 145 THR 0.379 0.138 7 0 "[ . 1 .]"
1 146 ARG 0.006 0.006 4 0 "[ . 1 .]"
1 147 THR 0.015 0.015 3 0 "[ . 1 .]"
1 148 GLY 0.015 0.015 3 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 2 LYS H 1 2 LYS HA . . 3.000 2.907 2.872 2.934 . 0 0 "[ . 1 .]" 1
2 1 2 LYS HA 1 3 TYR H . . 2.400 2.243 2.105 2.433 0.033 1 0 "[ . 1 .]" 1
3 1 2 LYS H 1 3 TYR H . . 4.800 4.389 4.237 4.513 . 0 0 "[ . 1 .]" 1
4 1 2 LYS QB 1 3 TYR H . . 4.600 2.684 2.100 3.717 . 0 0 "[ . 1 .]" 1
5 1 3 TYR H 1 3 TYR HA . . 3.000 2.916 2.897 2.943 . 0 0 "[ . 1 .]" 1
6 1 3 TYR H 1 3 TYR HB2 . . 4.400 2.486 2.418 2.560 . 0 0 "[ . 1 .]" 1
7 1 3 TYR H 1 3 TYR HB3 . . 4.400 3.663 3.613 3.718 . 0 0 "[ . 1 .]" 1
8 1 3 TYR H 1 34 TYR H . . 6.400 4.626 4.286 4.881 . 0 0 "[ . 1 .]" 1
9 1 3 TYR H 1 31 ASP H . . 5.000 4.823 4.594 5.021 0.021 5 0 "[ . 1 .]" 1
10 1 3 TYR H 1 32 ARG H . . 4.000 3.046 2.827 3.197 . 0 0 "[ . 1 .]" 1
11 1 3 TYR H 1 35 ASP H . . 6.800 6.847 6.803 6.887 0.087 15 0 "[ . 1 .]" 1
12 1 3 TYR H 1 31 ASP HA . . 5.000 4.691 4.041 5.069 0.069 1 0 "[ . 1 .]" 1
13 1 3 TYR H 1 32 ARG HA . . 6.400 4.671 4.545 4.801 . 0 0 "[ . 1 .]" 1
14 1 3 TYR H 1 34 TYR HA . . 6.400 4.965 4.803 5.147 . 0 0 "[ . 1 .]" 1
15 1 3 TYR H 1 34 TYR HB2 . . 6.400 5.715 5.472 5.830 . 0 0 "[ . 1 .]" 1
16 1 3 TYR H 1 34 TYR HB3 . . 6.800 6.811 6.489 6.883 0.083 5 0 "[ . 1 .]" 1
17 1 3 TYR HA 1 4 ASP H . . 2.600 2.143 2.050 2.255 . 0 0 "[ . 1 .]" 1
18 1 3 TYR H 1 4 ASP H . . 4.800 4.359 4.289 4.437 . 0 0 "[ . 1 .]" 1
19 1 3 TYR HB2 1 4 ASP H . . 4.400 3.982 3.885 4.093 . 0 0 "[ . 1 .]" 1
20 1 3 TYR HB3 1 4 ASP H . . 4.400 2.837 2.656 3.053 . 0 0 "[ . 1 .]" 1
21 1 4 ASP H 1 4 ASP HA . . 3.000 2.926 2.887 2.955 . 0 0 "[ . 1 .]" 1
22 1 4 ASP H 1 4 ASP HB2 . . 4.400 2.809 2.253 2.975 . 0 0 "[ . 1 .]" 1
23 1 4 ASP H 1 4 ASP HB3 . . 4.400 2.615 2.323 3.667 . 0 0 "[ . 1 .]" 1
24 1 4 ASP H 1 87 ARG H . . 4.200 3.242 3.030 3.470 . 0 0 "[ . 1 .]" 1
25 1 4 ASP H 1 89 ILE H . . 5.000 3.001 2.665 3.402 . 0 0 "[ . 1 .]" 1
26 1 4 ASP H 1 86 LEU HA . . 5.200 4.704 4.439 4.885 . 0 0 "[ . 1 .]" 1
27 1 4 ASP H 1 88 LYS HA . . 4.200 3.449 3.225 3.646 . 0 0 "[ . 1 .]" 1
28 1 4 ASP H 1 87 ARG HA . . 5.400 4.700 4.555 4.847 . 0 0 "[ . 1 .]" 1
29 1 4 ASP H 1 31 ASP H . . 6.000 5.727 4.803 6.006 0.006 1 0 "[ . 1 .]" 1
30 1 4 ASP H 1 30 GLY HA2 . . 6.000 4.543 4.195 4.935 . 0 0 "[ . 1 .]" 1
31 1 4 ASP HA 1 5 VAL H . . 2.400 2.165 2.048 2.239 . 0 0 "[ . 1 .]" 1
32 1 4 ASP H 1 5 VAL H . . 4.800 4.155 4.022 4.360 . 0 0 "[ . 1 .]" 1
33 1 4 ASP HB2 1 5 VAL H . . 4.800 4.434 4.174 4.550 . 0 0 "[ . 1 .]" 1
34 1 4 ASP HB3 1 5 VAL H . . 4.800 4.257 3.379 4.472 . 0 0 "[ . 1 .]" 1
35 1 5 VAL H 1 5 VAL HA . . 3.000 2.912 2.883 2.931 . 0 0 "[ . 1 .]" 1
36 1 5 VAL H 1 5 VAL HB . . 3.000 2.808 2.491 3.019 0.019 6 0 "[ . 1 .]" 1
37 1 5 VAL H 1 32 ARG H . . 6.400 4.980 4.500 5.487 . 0 0 "[ . 1 .]" 1
38 1 5 VAL H 1 29 ILE H . . 3.400 3.312 3.108 3.444 0.044 15 0 "[ . 1 .]" 1
39 1 5 VAL H 1 30 GLY H . . 5.400 4.580 4.131 4.866 . 0 0 "[ . 1 .]" 1
40 1 5 VAL H 1 31 ASP H . . 5.000 4.317 3.973 4.957 . 0 0 "[ . 1 .]" 1
41 1 5 VAL H 1 30 GLY HA2 . . 4.400 2.795 2.136 3.189 . 0 0 "[ . 1 .]" 1
42 1 5 VAL H 1 30 GLY HA3 . . 4.400 3.974 3.196 4.415 0.015 6 0 "[ . 1 .]" 1
43 1 5 VAL H 1 29 ILE HA . . 5.000 4.859 4.767 5.003 0.003 9 0 "[ . 1 .]" 1
44 1 5 VAL H 1 28 VAL HA . . 5.000 4.943 4.820 5.026 0.026 4 0 "[ . 1 .]" 1
45 1 5 VAL H 1 87 ARG H . . 5.400 4.686 4.547 4.816 . 0 0 "[ . 1 .]" 1
46 1 5 VAL H 1 86 LEU HA . . 5.400 4.881 4.612 4.991 . 0 0 "[ . 1 .]" 1
47 1 5 VAL HA 1 6 VAL H . . 2.400 2.106 1.966 2.186 . 0 0 "[ . 1 .]" 1
48 1 5 VAL H 1 6 VAL H . . 4.800 4.326 4.200 4.454 . 0 0 "[ . 1 .]" 1
49 1 5 VAL HB 1 6 VAL H . . 5.000 4.209 4.087 4.326 . 0 0 "[ . 1 .]" 1
50 1 5 VAL MG2 1 6 VAL H . . 6.800 3.368 2.650 4.254 . 0 0 "[ . 1 .]" 1
51 1 5 VAL MG1 1 6 VAL H . . 6.000 3.681 2.952 4.248 . 0 0 "[ . 1 .]" 1
52 1 6 VAL H 1 6 VAL HA . . 3.000 2.916 2.883 2.937 . 0 0 "[ . 1 .]" 1
53 1 6 VAL H 1 6 VAL HB . . 3.000 2.748 2.524 3.090 0.090 5 0 "[ . 1 .]" 1
54 1 6 VAL H 1 85 LYS H . . 3.600 3.395 3.231 3.572 . 0 0 "[ . 1 .]" 1
55 1 6 VAL H 1 86 LEU H . . 5.800 5.014 4.892 5.111 . 0 0 "[ . 1 .]" 1
56 1 6 VAL H 1 87 ARG H . . 5.000 3.772 3.615 4.017 . 0 0 "[ . 1 .]" 1
57 1 6 VAL H 1 86 LEU HA . . 3.600 3.380 3.055 3.550 . 0 0 "[ . 1 .]" 1
58 1 6 VAL H 1 85 LYS HA . . 5.000 4.997 4.923 5.051 0.051 14 0 "[ . 1 .]" 1
59 1 6 VAL H 1 84 VAL HA . . 5.000 4.884 4.697 5.046 0.046 9 0 "[ . 1 .]" 1
60 1 6 VAL H 1 29 ILE H . . 5.400 4.905 4.799 5.043 . 0 0 "[ . 1 .]" 1
61 1 6 VAL H 1 28 VAL HA . . 5.400 4.811 4.723 4.907 . 0 0 "[ . 1 .]" 1
62 1 6 VAL HA 1 7 ILE H . . 2.400 2.110 2.030 2.163 . 0 0 "[ . 1 .]" 1
63 1 6 VAL H 1 7 ILE H . . 4.800 4.200 4.116 4.299 . 0 0 "[ . 1 .]" 1
64 1 6 VAL HB 1 7 ILE H . . 5.000 4.224 4.122 4.332 . 0 0 "[ . 1 .]" 1
65 1 6 VAL MG1 1 7 ILE H . . 5.800 3.378 2.915 4.180 . 0 0 "[ . 1 .]" 1
66 1 6 VAL MG2 1 7 ILE H . . 6.800 3.733 2.708 4.274 . 0 0 "[ . 1 .]" 1
67 1 7 ILE H 1 7 ILE HA . . 3.000 2.910 2.894 2.923 . 0 0 "[ . 1 .]" 1
68 1 7 ILE H 1 27 MET H . . 3.600 3.327 3.071 3.612 0.012 11 0 "[ . 1 .]" 1
69 1 7 ILE H 1 28 VAL H . . 5.000 4.902 4.741 5.021 0.021 9 0 "[ . 1 .]" 1
70 1 7 ILE H 1 29 ILE H . . 5.000 4.559 4.091 4.920 . 0 0 "[ . 1 .]" 1
71 1 7 ILE H 1 28 VAL HA . . 3.600 3.343 3.087 3.629 0.029 14 0 "[ . 1 .]" 1
72 1 7 ILE H 1 27 MET HA . . 5.200 4.852 4.729 5.000 . 0 0 "[ . 1 .]" 1
73 1 7 ILE H 1 26 PRO HA . . 6.000 4.747 4.326 5.212 . 0 0 "[ . 1 .]" 1
74 1 7 ILE H 1 85 LYS H . . 5.200 4.877 4.763 5.085 . 0 0 "[ . 1 .]" 1
75 1 7 ILE H 1 84 VAL HA . . 5.200 4.748 4.583 4.847 . 0 0 "[ . 1 .]" 1
76 1 7 ILE H 1 28 VAL MG1 . . 6.400 4.857 4.549 5.374 . 0 0 "[ . 1 .]" 1
77 1 7 ILE H 1 27 MET HG2 . . 6.000 5.535 3.590 6.091 0.091 3 0 "[ . 1 .]" 1
78 1 7 ILE H 1 27 MET HG3 . . 6.000 5.340 3.537 6.075 0.075 2 0 "[ . 1 .]" 1
79 1 7 ILE HA 1 8 ILE H . . 2.400 2.065 1.985 2.116 . 0 0 "[ . 1 .]" 1
80 1 7 ILE H 1 8 ILE H . . 4.800 4.206 4.058 4.372 . 0 0 "[ . 1 .]" 1
81 1 7 ILE QG 1 8 ILE H . . 5.800 2.910 2.696 3.102 . 0 0 "[ . 1 .]" 1
82 1 8 ILE H 1 8 ILE HA . . 3.000 2.928 2.914 2.944 . 0 0 "[ . 1 .]" 1
83 1 8 ILE H 1 8 ILE HB . . 4.400 2.781 2.561 3.790 . 0 0 "[ . 1 .]" 1
84 1 8 ILE H 1 83 HIS H . . 3.600 3.262 2.870 3.480 . 0 0 "[ . 1 .]" 1
85 1 8 ILE H 1 84 VAL H . . 5.000 4.788 4.697 4.999 . 0 0 "[ . 1 .]" 1
86 1 8 ILE H 1 85 LYS H . . 5.000 4.420 4.070 4.654 . 0 0 "[ . 1 .]" 1
87 1 8 ILE H 1 84 VAL HA . . 4.000 3.437 3.197 3.725 . 0 0 "[ . 1 .]" 1
88 1 8 ILE H 1 83 HIS HA . . 5.200 4.690 4.417 4.857 . 0 0 "[ . 1 .]" 1
89 1 8 ILE H 1 82 VAL HA . . 5.200 4.729 4.417 4.954 . 0 0 "[ . 1 .]" 1
90 1 8 ILE H 1 83 HIS HB2 . . 5.000 3.094 2.606 3.582 . 0 0 "[ . 1 .]" 1
91 1 8 ILE H 1 83 HIS HB3 . . 5.000 4.217 3.957 4.565 . 0 0 "[ . 1 .]" 1
92 1 8 ILE H 1 27 MET H . . 5.400 4.818 4.600 5.177 . 0 0 "[ . 1 .]" 1
93 1 8 ILE H 1 26 PRO HA . . 5.800 4.693 4.357 4.912 . 0 0 "[ . 1 .]" 1
94 1 8 ILE HA 1 9 PRO HD2 . . 3.000 2.592 2.290 2.711 . 0 0 "[ . 1 .]" 1
95 1 8 ILE HA 1 9 PRO HD3 . . 3.000 2.054 1.926 2.137 . 0 0 "[ . 1 .]" 1
96 1 8 ILE H 1 9 PRO HD2 . . 6.000 5.114 4.961 5.235 . 0 0 "[ . 1 .]" 1
97 1 8 ILE H 1 9 PRO HD3 . . 6.000 3.956 3.709 4.170 . 0 0 "[ . 1 .]" 1
98 1 9 PRO HA 1 10 GLU H . . 2.400 2.214 2.170 2.259 . 0 0 "[ . 1 .]" 1
99 1 9 PRO HD2 1 10 GLU H . . 5.800 5.059 4.842 5.216 . 0 0 "[ . 1 .]" 1
100 1 9 PRO HD3 1 10 GLU H . . 5.800 5.736 5.611 5.807 0.007 14 0 "[ . 1 .]" 1
101 1 9 PRO QB 1 10 GLU H . . 5.800 3.285 3.049 3.560 . 0 0 "[ . 1 .]" 1
102 1 10 GLU H 1 10 GLU HA . . 3.000 2.867 2.804 2.941 . 0 0 "[ . 1 .]" 1
103 1 10 GLU H 1 81 ILE H . . 3.400 3.072 2.742 3.415 0.015 14 0 "[ . 1 .]" 1
104 1 10 GLU H 1 82 VAL H . . 5.200 4.973 4.749 5.140 . 0 0 "[ . 1 .]" 1
105 1 10 GLU H 1 83 HIS H . . 5.800 4.585 4.228 5.040 . 0 0 "[ . 1 .]" 1
106 1 10 GLU H 1 82 VAL HA . . 4.000 3.408 3.076 3.869 . 0 0 "[ . 1 .]" 1
107 1 10 GLU H 1 81 ILE HA . . 5.400 4.931 4.763 5.234 . 0 0 "[ . 1 .]" 1
108 1 10 GLU H 1 80 GLY HA2 . . 5.400 5.039 4.696 5.409 0.009 14 0 "[ . 1 .]" 1
109 1 10 GLU H 1 80 GLY HA3 . . 5.400 4.557 3.990 5.024 . 0 0 "[ . 1 .]" 1
110 1 10 GLU H 1 120 CYS HB2 . . 6.000 5.507 5.202 5.867 . 0 0 "[ . 1 .]" 1
111 1 10 GLU H 1 120 CYS HB3 . . 6.000 4.974 4.642 5.355 . 0 0 "[ . 1 .]" 1
112 1 10 GLU H 1 117 ILE HA . . 6.000 5.993 5.625 6.063 0.063 15 0 "[ . 1 .]" 1
113 1 10 GLU H 1 82 VAL MG2 . . 6.400 3.621 3.230 4.005 . 0 0 "[ . 1 .]" 1
114 1 10 GLU HA 1 11 SER H . . 2.400 2.215 2.083 2.442 0.042 12 0 "[ . 1 .]" 1
115 1 10 GLU H 1 11 SER H . . 4.800 4.189 3.891 4.376 . 0 0 "[ . 1 .]" 1
116 1 10 GLU HB3 1 11 SER H . . 4.400 3.920 2.707 4.262 . 0 0 "[ . 1 .]" 1
117 1 10 GLU HB2 1 11 SER H . . 4.400 3.083 2.194 3.786 . 0 0 "[ . 1 .]" 1
118 1 10 GLU QG 1 11 SER H . . 5.400 4.143 3.740 4.459 . 0 0 "[ . 1 .]" 1
119 1 11 SER H 1 11 SER HA . . 3.000 2.854 2.789 2.925 . 0 0 "[ . 1 .]" 1
120 1 11 SER H 1 11 SER HB3 . . 4.400 3.392 2.634 3.751 . 0 0 "[ . 1 .]" 1
121 1 11 SER H 1 11 SER HB2 . . 4.400 2.710 2.371 3.672 . 0 0 "[ . 1 .]" 1
122 1 11 SER H 1 24 CYS H . . 5.400 3.916 3.397 4.317 . 0 0 "[ . 1 .]" 1
123 1 11 SER H 1 24 CYS HB2 . . 6.400 4.823 4.364 5.225 . 0 0 "[ . 1 .]" 1
124 1 11 SER H 1 24 CYS HB3 . . 6.400 6.007 5.184 6.462 0.062 9 0 "[ . 1 .]" 1
125 1 11 SER H 1 22 HIS QB . . 4.000 3.668 3.010 4.170 0.170 6 0 "[ . 1 .]" 1
126 1 11 SER HA 1 12 PHE H . . 2.400 2.253 2.145 2.400 0.000 9 0 "[ . 1 .]" 1
127 1 11 SER H 1 12 PHE H . . 4.800 4.460 4.007 4.640 . 0 0 "[ . 1 .]" 1
128 1 11 SER HB2 1 12 PHE H . . 5.000 4.007 2.656 4.416 . 0 0 "[ . 1 .]" 1
129 1 11 SER HB3 1 12 PHE H . . 5.000 3.656 3.114 4.277 . 0 0 "[ . 1 .]" 1
130 1 12 PHE H 1 12 PHE HA . . 3.000 2.800 2.688 2.891 . 0 0 "[ . 1 .]" 1
131 1 12 PHE H 1 12 PHE HB2 . . 3.600 3.564 2.467 3.676 0.076 2 0 "[ . 1 .]" 1
132 1 12 PHE H 1 12 PHE HB3 . . 3.600 2.861 2.383 3.109 . 0 0 "[ . 1 .]" 1
133 1 12 PHE H 1 80 GLY H . . 5.800 4.366 3.913 5.027 . 0 0 "[ . 1 .]" 1
134 1 12 PHE H 1 80 GLY HA2 . . 4.000 1.984 1.768 2.458 . 0 0 "[ . 1 .]" 1
135 1 12 PHE H 1 80 GLY HA3 . . 4.000 3.594 3.330 4.008 0.008 2 0 "[ . 1 .]" 1
136 1 12 PHE H 1 79 LYS H . . 6.000 5.857 4.735 6.098 0.098 7 0 "[ . 1 .]" 1
137 1 12 PHE H 1 79 LYS QG . . 6.000 4.227 2.808 6.130 0.130 6 0 "[ . 1 .]" 1
138 1 12 PHE H 1 79 LYS QD . . 6.000 5.164 4.191 6.046 0.046 1 0 "[ . 1 .]" 1
139 1 12 PHE HA 1 13 HIS H . . 2.200 2.068 1.960 2.270 0.070 8 0 "[ . 1 .]" 1
140 1 12 PHE H 1 13 HIS H . . 4.800 4.192 3.711 4.434 . 0 0 "[ . 1 .]" 1
141 1 12 PHE QB 1 13 HIS H . . 4.600 3.468 3.100 3.969 . 0 0 "[ . 1 .]" 1
142 1 13 HIS H 1 13 HIS HA . . 2.800 2.866 2.847 2.903 0.103 7 0 "[ . 1 .]" 1
143 1 13 HIS H 1 21 GLU HA . . 6.000 5.226 3.928 6.038 0.038 5 0 "[ . 1 .]" 1
144 1 11 SER HB2 1 13 HIS H . . 5.800 5.053 4.032 5.815 0.015 4 0 "[ . 1 .]" 1
145 1 11 SER HB3 1 13 HIS H . . 5.800 5.580 4.260 5.867 0.067 6 0 "[ . 1 .]" 1
146 1 13 HIS HA 1 14 ARG H . . 2.800 2.183 1.972 2.500 . 0 0 "[ . 1 .]" 1
147 1 13 HIS H 1 14 ARG H . . 4.800 4.093 3.644 4.491 . 0 0 "[ . 1 .]" 1
148 1 13 HIS QB 1 14 ARG H . . 5.400 3.046 2.233 3.656 . 0 0 "[ . 1 .]" 1
149 1 14 ARG H 1 14 ARG HA . . 2.600 2.864 2.815 2.897 0.297 6 0 "[ . 1 .]" 1
150 1 14 ARG HA 1 15 PHE H . . 2.800 2.155 1.794 2.837 0.037 6 0 "[ . 1 .]" 1
151 1 14 ARG H 1 15 PHE H . . 4.800 4.296 4.039 4.597 . 0 0 "[ . 1 .]" 1
152 1 14 ARG HB3 1 15 PHE H . . 4.000 3.296 1.960 4.140 0.140 9 0 "[ . 1 .]" 1
153 1 14 ARG HB2 1 15 PHE H . . 4.000 3.793 2.709 4.129 0.129 13 0 "[ . 1 .]" 1
154 1 14 ARG QG 1 15 PHE H . . 6.000 3.874 2.061 4.363 . 0 0 "[ . 1 .]" 1
155 1 15 PHE H 1 15 PHE HA . . 2.600 2.767 2.669 2.884 0.284 6 0 "[ . 1 .]" 1
156 1 15 PHE H 1 15 PHE HB2 . . 4.400 2.463 2.063 2.790 . 0 0 "[ . 1 .]" 1
157 1 15 PHE H 1 15 PHE HB3 . . 4.400 2.942 2.065 3.665 . 0 0 "[ . 1 .]" 1
158 1 15 PHE HA 1 16 ASP H . . 2.400 2.001 1.856 2.188 . 0 0 "[ . 1 .]" 1
159 1 15 PHE H 1 16 ASP H . . 4.000 4.111 4.000 4.175 0.175 2 0 "[ . 1 .]" 1
160 1 15 PHE HB2 1 16 ASP H . . 5.000 4.301 4.087 4.494 . 0 0 "[ . 1 .]" 1
161 1 15 PHE HB3 1 16 ASP H . . 5.000 3.993 3.388 4.455 . 0 0 "[ . 1 .]" 1
162 1 16 ASP H 1 16 ASP HA . . 2.600 2.863 2.826 2.891 0.291 2 0 "[ . 1 .]" 1
163 1 16 ASP H 1 16 ASP HB3 . . 4.400 2.657 2.436 3.680 . 0 0 "[ . 1 .]" 1
164 1 16 ASP H 1 16 ASP HB2 . . 4.400 2.643 2.438 3.036 . 0 0 "[ . 1 .]" 1
165 1 16 ASP HA 1 17 LYS H . . 3.400 3.203 2.533 3.464 0.064 4 0 "[ . 1 .]" 1
166 1 16 ASP H 1 17 LYS H . . 2.200 3.856 3.108 4.441 2.241 2 15 [*+*********-***] 1
167 1 16 ASP HB3 1 17 LYS H . . 4.800 2.319 1.804 3.618 . 0 0 "[ . 1 .]" 1
168 1 16 ASP HB2 1 17 LYS H . . 4.800 3.412 2.238 3.727 . 0 0 "[ . 1 .]" 1
169 1 17 LYS H 1 17 LYS HA . . 2.600 2.867 2.805 2.901 0.301 13 0 "[ . 1 .]" 1
170 1 17 LYS HA 1 18 HIS H . . 3.600 3.545 3.466 3.596 . 0 0 "[ . 1 .]" 1
171 1 17 LYS H 1 18 HIS H . . 4.800 2.447 2.097 2.886 . 0 0 "[ . 1 .]" 1
172 1 17 LYS QB 1 18 HIS H . . 5.800 2.331 2.026 2.892 . 0 0 "[ . 1 .]" 1
173 1 18 HIS H 1 18 HIS HA . . 3.000 2.924 2.892 2.949 . 0 0 "[ . 1 .]" 1
174 1 18 HIS H 1 18 HIS HB3 . . 4.400 2.923 2.636 3.549 . 0 0 "[ . 1 .]" 1
175 1 18 HIS H 1 18 HIS HB2 . . 4.400 3.262 3.015 3.873 . 0 0 "[ . 1 .]" 1
176 1 18 HIS HA 1 19 ASN H . . 3.400 3.373 2.786 3.499 0.099 1 0 "[ . 1 .]" 1
177 1 18 HIS H 1 19 ASN H . . 4.400 1.981 1.728 2.445 . 0 0 "[ . 1 .]" 1
178 1 18 HIS QB 1 19 ASN H . . 4.600 2.866 2.222 4.060 . 0 0 "[ . 1 .]" 1
179 1 19 ASN H 1 19 ASN HA . . 2.800 2.870 2.783 2.903 0.103 11 0 "[ . 1 .]" 1
180 1 19 ASN HA 1 20 MET H . . 2.400 2.348 2.132 2.479 0.079 3 0 "[ . 1 .]" 1
181 1 19 ASN H 1 20 MET H . . 4.800 4.158 3.352 4.482 . 0 0 "[ . 1 .]" 1
182 1 19 ASN QB 1 20 MET H . . 5.400 3.189 1.913 4.011 . 0 0 "[ . 1 .]" 1
183 1 20 MET H 1 20 MET HA . . 2.400 2.382 2.190 2.851 0.451 1 0 "[ . 1 .]" 1
184 1 20 MET HA 1 21 GLU H . . 2.400 2.215 2.035 2.412 0.012 1 0 "[ . 1 .]" 1
185 1 20 MET H 1 21 GLU H . . 3.400 2.989 2.546 3.403 0.003 8 0 "[ . 1 .]" 1
186 1 20 MET QB 1 21 GLU H . . 5.400 3.854 3.584 4.053 . 0 0 "[ . 1 .]" 1
187 1 20 MET QG 1 21 GLU H . . 6.000 4.279 3.463 4.834 . 0 0 "[ . 1 .]" 1
188 1 21 GLU H 1 21 GLU HA . . 2.600 2.778 2.648 2.901 0.301 5 0 "[ . 1 .]" 1
189 1 13 HIS QB 1 21 GLU H . . 5.000 3.447 2.801 4.402 . 0 0 "[ . 1 .]" 1
190 1 21 GLU HA 1 22 HIS H . . 2.600 2.195 2.045 2.357 . 0 0 "[ . 1 .]" 1
191 1 21 GLU H 1 22 HIS H . . 3.400 3.471 3.104 3.585 0.185 13 0 "[ . 1 .]" 1
192 1 21 GLU QB 1 22 HIS H . . 5.400 3.686 3.373 3.849 . 0 0 "[ . 1 .]" 1
193 1 21 GLU QG 1 22 HIS H . . 5.800 4.074 2.823 4.664 . 0 0 "[ . 1 .]" 1
194 1 22 HIS H 1 22 HIS HA . . 3.000 2.876 2.757 2.941 . 0 0 "[ . 1 .]" 1
195 1 22 HIS HA 1 23 ILE H . . 2.600 2.069 1.930 2.228 . 0 0 "[ . 1 .]" 1
196 1 22 HIS H 1 23 ILE H . . 4.800 3.786 3.097 4.287 . 0 0 "[ . 1 .]" 1
197 1 22 HIS QB 1 23 ILE H . . 4.800 3.830 3.667 3.982 . 0 0 "[ . 1 .]" 1
198 1 23 ILE H 1 23 ILE HA . . 3.000 2.917 2.881 2.933 . 0 0 "[ . 1 .]" 1
199 1 23 ILE H 1 23 ILE HB . . 3.000 2.607 2.381 2.766 . 0 0 "[ . 1 .]" 1
200 1 23 ILE H 1 23 ILE HG12 . . 4.400 2.923 2.381 4.414 0.014 11 0 "[ . 1 .]" 1
201 1 23 ILE H 1 23 ILE HG13 . . 4.400 4.112 3.742 4.522 0.122 1 0 "[ . 1 .]" 1
202 1 10 GLU QB 1 23 ILE H . . 6.800 5.043 4.513 6.070 . 0 0 "[ . 1 .]" 1
203 1 23 ILE HA 1 24 CYS H . . 2.400 2.193 2.093 2.286 . 0 0 "[ . 1 .]" 1
204 1 23 ILE H 1 24 CYS H . . 4.800 4.291 4.139 4.421 . 0 0 "[ . 1 .]" 1
205 1 23 ILE HB 1 24 CYS H . . 4.800 4.044 3.848 4.320 . 0 0 "[ . 1 .]" 1
206 1 23 ILE QG 1 24 CYS H . . 5.400 4.633 4.249 4.817 . 0 0 "[ . 1 .]" 1
207 1 23 ILE MG 1 24 CYS H . . 6.400 2.568 2.328 2.821 . 0 0 "[ . 1 .]" 1
208 1 24 CYS H 1 24 CYS HA . . 3.000 2.929 2.913 2.961 . 0 0 "[ . 1 .]" 1
209 1 24 CYS H 1 24 CYS HB3 . . 4.400 3.686 3.649 3.747 . 0 0 "[ . 1 .]" 1
210 1 24 CYS H 1 24 CYS HB2 . . 4.400 2.548 2.495 2.607 . 0 0 "[ . 1 .]" 1
211 1 10 GLU HB2 1 24 CYS H . . 5.400 3.435 2.653 5.182 . 0 0 "[ . 1 .]" 1
212 1 10 GLU HB3 1 24 CYS H . . 5.400 2.749 2.211 4.289 . 0 0 "[ . 1 .]" 1
213 1 10 GLU HG2 1 24 CYS H . . 5.400 4.917 4.021 5.408 0.008 11 0 "[ . 1 .]" 1
214 1 10 GLU HG3 1 24 CYS H . . 5.400 5.195 4.403 5.493 0.093 14 0 "[ . 1 .]" 1
215 1 22 HIS QB 1 24 CYS H . . 6.000 5.680 5.586 5.747 . 0 0 "[ . 1 .]" 1
216 1 24 CYS HA 1 25 PRO HD2 . . 3.000 2.639 2.211 3.013 0.013 11 0 "[ . 1 .]" 1
217 1 24 CYS HA 1 25 PRO HD3 . . 3.000 2.126 1.919 2.654 . 0 0 "[ . 1 .]" 1
218 1 24 CYS H 1 25 PRO HD2 . . 5.400 5.091 4.769 5.302 . 0 0 "[ . 1 .]" 1
219 1 24 CYS H 1 25 PRO HD3 . . 5.400 4.790 4.433 5.314 . 0 0 "[ . 1 .]" 1
220 1 25 PRO HA 1 26 PRO HD2 . . 3.200 2.433 2.022 3.056 . 0 0 "[ . 1 .]" 1
221 1 25 PRO HA 1 26 PRO HD3 . . 3.200 2.176 1.892 2.512 . 0 0 "[ . 1 .]" 1
222 1 26 PRO HA 1 27 MET H . . 2.600 2.151 2.103 2.201 . 0 0 "[ . 1 .]" 1
223 1 26 PRO HD2 1 27 MET H . . 5.800 5.482 5.246 5.714 . 0 0 "[ . 1 .]" 1
224 1 26 PRO HD3 1 27 MET H . . 5.800 5.598 5.348 5.787 . 0 0 "[ . 1 .]" 1
225 1 26 PRO HB3 1 27 MET H . . 5.400 3.698 3.184 4.051 . 0 0 "[ . 1 .]" 1
226 1 26 PRO HB2 1 27 MET H . . 5.400 3.569 3.128 3.927 . 0 0 "[ . 1 .]" 1
227 1 27 MET H 1 27 MET HA . . 3.000 2.922 2.893 2.954 . 0 0 "[ . 1 .]" 1
228 1 27 MET H 1 27 MET HB3 . . 4.400 3.312 2.466 3.733 . 0 0 "[ . 1 .]" 1
229 1 27 MET H 1 27 MET HB2 . . 4.400 2.629 2.235 3.751 . 0 0 "[ . 1 .]" 1
230 1 27 MET H 1 99 ASN H . . 6.000 4.791 4.515 5.213 . 0 0 "[ . 1 .]" 1
231 1 27 MET H 1 99 ASN HB2 . . 6.000 4.755 4.208 5.520 . 0 0 "[ . 1 .]" 1
232 1 27 MET H 1 99 ASN HB3 . . 6.000 5.260 4.061 6.054 0.054 8 0 "[ . 1 .]" 1
233 1 27 MET HA 1 28 VAL H . . 2.400 2.199 2.068 2.357 . 0 0 "[ . 1 .]" 1
234 1 27 MET H 1 28 VAL H . . 4.800 4.429 4.364 4.502 . 0 0 "[ . 1 .]" 1
235 1 27 MET HB2 1 28 VAL H . . 4.800 4.015 2.833 4.515 . 0 0 "[ . 1 .]" 1
236 1 27 MET HB3 1 28 VAL H . . 4.800 3.381 2.818 4.167 . 0 0 "[ . 1 .]" 1
237 1 28 VAL H 1 28 VAL HA . . 3.000 2.947 2.919 2.971 . 0 0 "[ . 1 .]" 1
238 1 28 VAL H 1 28 VAL HB . . 3.000 2.750 2.602 2.886 . 0 0 "[ . 1 .]" 1
239 1 28 VAL H 1 99 ASN H . . 5.400 3.725 3.301 4.002 . 0 0 "[ . 1 .]" 1
240 1 28 VAL H 1 98 GLY HA2 . . 5.400 5.306 4.957 5.437 0.037 4 0 "[ . 1 .]" 1
241 1 28 VAL H 1 98 GLY HA3 . . 5.400 3.819 3.338 4.066 . 0 0 "[ . 1 .]" 1
242 1 28 VAL H 1 100 ARG HA . . 4.400 3.188 2.659 4.337 . 0 0 "[ . 1 .]" 1
243 1 28 VAL H 1 101 CYS HA . . 6.000 6.024 5.667 6.146 0.146 9 0 "[ . 1 .]" 1
244 1 28 VAL H 1 101 CYS HB2 . . 6.000 4.908 3.767 5.508 . 0 0 "[ . 1 .]" 1
245 1 28 VAL H 1 101 CYS HB3 . . 6.000 5.429 4.448 6.007 0.007 7 0 "[ . 1 .]" 1
246 1 28 VAL H 1 99 ASN HB2 . . 5.000 4.413 3.573 5.018 0.018 3 0 "[ . 1 .]" 1
247 1 28 VAL H 1 99 ASN HB3 . . 5.000 4.326 3.582 5.009 0.009 1 0 "[ . 1 .]" 1
248 1 28 VAL HA 1 29 ILE H . . 2.400 2.135 2.062 2.215 . 0 0 "[ . 1 .]" 1
249 1 28 VAL H 1 29 ILE H . . 4.800 4.239 4.119 4.311 . 0 0 "[ . 1 .]" 1
250 1 28 VAL HB 1 29 ILE H . . 5.000 4.176 3.975 4.357 . 0 0 "[ . 1 .]" 1
251 1 28 VAL MG1 1 29 ILE H . . 5.800 2.732 2.477 2.984 . 0 0 "[ . 1 .]" 1
252 1 28 VAL MG2 1 29 ILE H . . 6.800 4.070 3.912 4.161 . 0 0 "[ . 1 .]" 1
253 1 29 ILE H 1 29 ILE HA . . 3.000 2.933 2.889 2.960 . 0 0 "[ . 1 .]" 1
254 1 29 ILE H 1 29 ILE HB . . 4.000 2.732 2.585 2.793 . 0 0 "[ . 1 .]" 1
255 1 6 VAL HA 1 29 ILE H . . 3.600 3.490 3.275 3.617 0.017 12 0 "[ . 1 .]" 1
256 1 5 VAL HA 1 29 ILE H . . 5.200 4.801 4.726 4.904 . 0 0 "[ . 1 .]" 1
257 1 4 ASP HA 1 29 ILE H . . 5.200 4.693 4.224 5.241 0.041 15 0 "[ . 1 .]" 1
258 1 29 ILE HA 1 30 GLY H . . 2.400 2.159 2.041 2.278 . 0 0 "[ . 1 .]" 1
259 1 29 ILE H 1 30 GLY H . . 4.800 3.963 3.775 4.155 . 0 0 "[ . 1 .]" 1
260 1 29 ILE HB 1 30 GLY H . . 5.000 4.370 4.282 4.469 . 0 0 "[ . 1 .]" 1
261 1 29 ILE HG13 1 30 GLY H . . 5.400 5.331 4.425 5.902 0.502 13 1 "[ . 1 + .]" 1
262 1 29 ILE HG12 1 30 GLY H . . 5.400 5.320 5.139 5.505 0.105 8 0 "[ . 1 .]" 1
263 1 30 GLY H 1 30 GLY HA2 . . 3.000 2.916 2.893 2.940 . 0 0 "[ . 1 .]" 1
264 1 30 GLY H 1 30 GLY HA3 . . 3.000 2.513 2.426 2.598 . 0 0 "[ . 1 .]" 1
265 1 4 ASP HA 1 30 GLY H . . 5.200 4.314 3.927 4.760 . 0 0 "[ . 1 .]" 1
266 1 30 GLY HA2 1 31 ASP H . . 2.600 2.188 2.068 2.608 0.008 8 0 "[ . 1 .]" 1
267 1 30 GLY HA3 1 31 ASP H . . 3.600 3.190 2.295 3.442 . 0 0 "[ . 1 .]" 1
268 1 30 GLY H 1 31 ASP H . . 4.800 3.708 3.447 4.421 . 0 0 "[ . 1 .]" 1
269 1 31 ASP H 1 31 ASP HA . . 2.800 2.732 2.188 2.903 0.103 1 0 "[ . 1 .]" 1
270 1 31 ASP H 1 31 ASP HB2 . . 4.000 3.748 3.080 4.095 0.095 10 0 "[ . 1 .]" 1
271 1 31 ASP H 1 31 ASP HB3 . . 4.000 3.372 2.760 3.796 . 0 0 "[ . 1 .]" 1
272 1 4 ASP HA 1 31 ASP H . . 3.600 3.528 2.640 3.740 0.140 3 0 "[ . 1 .]" 1
273 1 29 ILE HA 1 31 ASP H . . 6.400 5.025 4.503 6.246 . 0 0 "[ . 1 .]" 1
274 1 31 ASP HA 1 32 ARG H . . 3.000 2.851 2.231 3.127 0.127 12 0 "[ . 1 .]" 1
275 1 31 ASP H 1 32 ARG H . . 4.800 2.217 2.039 2.772 . 0 0 "[ . 1 .]" 1
276 1 31 ASP HB2 1 32 ARG H . . 5.000 4.568 4.465 4.686 . 0 0 "[ . 1 .]" 1
277 1 31 ASP HB3 1 32 ARG H . . 5.000 4.458 3.861 4.759 . 0 0 "[ . 1 .]" 1
278 1 32 ARG H 1 32 ARG HA . . 3.000 2.945 2.926 2.978 . 0 0 "[ . 1 .]" 1
279 1 32 ARG H 1 32 ARG HB3 . . 4.000 3.628 2.748 3.776 . 0 0 "[ . 1 .]" 1
280 1 32 ARG H 1 32 ARG HB2 . . 3.600 2.571 2.361 2.703 . 0 0 "[ . 1 .]" 1
281 1 4 ASP HA 1 32 ARG H . . 4.800 4.202 3.908 4.521 . 0 0 "[ . 1 .]" 1
282 1 3 TYR HA 1 32 ARG H . . 5.200 5.099 4.869 5.240 0.040 3 0 "[ . 1 .]" 1
283 1 2 LYS HA 1 32 ARG H . . 5.000 4.426 4.088 5.014 0.014 1 0 "[ . 1 .]" 1
284 1 30 GLY HA2 1 32 ARG H . . 5.000 3.456 3.171 4.075 . 0 0 "[ . 1 .]" 1
285 1 30 GLY HA3 1 32 ARG H . . 5.000 4.754 4.317 5.021 0.021 7 0 "[ . 1 .]" 1
286 1 32 ARG HA 1 33 SER H . . 2.400 2.325 2.233 2.410 0.010 5 0 "[ . 1 .]" 1
287 1 32 ARG H 1 33 SER H . . 4.800 4.395 4.241 4.533 . 0 0 "[ . 1 .]" 1
288 1 32 ARG HB3 1 33 SER H . . 4.800 3.280 2.917 3.970 . 0 0 "[ . 1 .]" 1
289 1 32 ARG HB2 1 33 SER H . . 4.800 4.154 3.827 4.546 . 0 0 "[ . 1 .]" 1
290 1 32 ARG QG 1 33 SER H . . 5.800 4.542 2.796 4.892 . 0 0 "[ . 1 .]" 1
291 1 32 ARG QD 1 33 SER H . . 5.000 4.208 3.480 5.008 0.008 15 0 "[ . 1 .]" 1
292 1 33 SER H 1 33 SER HA . . 2.800 2.818 2.804 2.844 0.044 15 0 "[ . 1 .]" 1
293 1 33 SER H 1 33 SER HB3 . . 3.400 2.756 2.603 3.003 . 0 0 "[ . 1 .]" 1
294 1 33 SER H 1 33 SER HB2 . . 3.400 3.374 2.594 3.460 0.060 14 0 "[ . 1 .]" 1
295 1 33 SER H 1 36 ILE H . . 4.800 3.772 3.358 4.175 . 0 0 "[ . 1 .]" 1
296 1 33 SER H 1 36 ILE HA . . 6.000 5.418 4.962 5.761 . 0 0 "[ . 1 .]" 1
297 1 33 SER H 1 36 ILE HB . . 5.000 2.498 2.024 2.854 . 0 0 "[ . 1 .]" 1
298 1 33 SER H 1 36 ILE HG13 . . 5.400 3.672 3.262 4.336 . 0 0 "[ . 1 .]" 1
299 1 33 SER H 1 36 ILE HG12 . . 5.400 4.578 3.361 5.434 0.034 11 0 "[ . 1 .]" 1
300 1 33 SER H 1 36 ILE MG . . 6.400 3.715 3.229 4.030 . 0 0 "[ . 1 .]" 1
301 1 33 SER H 1 37 ALA H . . 4.800 4.048 3.698 4.270 . 0 0 "[ . 1 .]" 1
302 1 33 SER H 1 37 ALA HA . . 6.000 5.670 5.198 5.906 . 0 0 "[ . 1 .]" 1
303 1 33 SER H 1 37 ALA MB . . 6.800 4.430 3.964 4.679 . 0 0 "[ . 1 .]" 1
304 1 33 SER HA 1 34 TYR H . . 2.600 2.487 2.302 2.627 0.027 5 0 "[ . 1 .]" 1
305 1 33 SER H 1 34 TYR H . . 4.400 4.453 4.413 4.491 0.091 13 0 "[ . 1 .]" 1
306 1 33 SER HB3 1 34 TYR H . . 4.400 3.583 2.958 3.805 . 0 0 "[ . 1 .]" 1
307 1 33 SER HB2 1 34 TYR H . . 4.400 2.464 2.204 3.612 . 0 0 "[ . 1 .]" 1
308 1 34 TYR H 1 34 TYR HA . . 2.800 2.798 2.760 2.819 0.019 3 0 "[ . 1 .]" 1
309 1 34 TYR H 1 34 TYR HB3 . . 4.400 2.558 2.439 2.672 . 0 0 "[ . 1 .]" 1
310 1 34 TYR H 1 34 TYR HB2 . . 4.400 2.463 2.339 2.587 . 0 0 "[ . 1 .]" 1
311 1 34 TYR H 1 36 ILE H . . 4.200 4.155 3.987 4.250 0.050 3 0 "[ . 1 .]" 1
312 1 34 TYR HA 1 35 ASP H . . 3.600 3.418 3.384 3.440 . 0 0 "[ . 1 .]" 1
313 1 34 TYR H 1 35 ASP H . . 2.800 2.669 2.533 2.847 0.047 11 0 "[ . 1 .]" 1
314 1 34 TYR HB3 1 35 ASP H . . 3.600 2.420 2.279 2.577 . 0 0 "[ . 1 .]" 1
315 1 34 TYR HB2 1 35 ASP H . . 3.600 3.677 3.648 3.731 0.131 3 0 "[ . 1 .]" 1
316 1 35 ASP H 1 35 ASP HA . . 2.800 2.832 2.807 2.851 0.051 4 0 "[ . 1 .]" 1
317 1 35 ASP H 1 37 ALA H . . 4.200 3.942 3.864 4.054 . 0 0 "[ . 1 .]" 1
318 1 35 ASP HA 1 36 ILE H . . 3.600 3.490 3.444 3.529 . 0 0 "[ . 1 .]" 1
319 1 35 ASP H 1 36 ILE H . . 2.800 2.647 2.495 2.792 . 0 0 "[ . 1 .]" 1
320 1 35 ASP HB3 1 36 ILE H . . 4.800 3.463 2.583 4.088 . 0 0 "[ . 1 .]" 1
321 1 35 ASP HB2 1 36 ILE H . . 4.800 3.245 2.478 4.030 . 0 0 "[ . 1 .]" 1
322 1 36 ILE H 1 36 ILE HA . . 2.800 2.844 2.817 2.857 0.057 2 0 "[ . 1 .]" 1
323 1 36 ILE H 1 36 ILE HB . . 4.400 2.518 2.452 2.615 . 0 0 "[ . 1 .]" 1
324 1 34 TYR HA 1 36 ILE H . . 4.400 4.438 4.358 4.480 0.080 9 0 "[ . 1 .]" 1
325 1 36 ILE H 1 38 MET H . . 4.200 4.044 3.967 4.169 . 0 0 "[ . 1 .]" 1
326 1 36 ILE HA 1 37 ALA H . . 3.600 3.480 3.432 3.540 . 0 0 "[ . 1 .]" 1
327 1 36 ILE H 1 37 ALA H . . 2.800 2.406 2.277 2.608 . 0 0 "[ . 1 .]" 1
328 1 36 ILE HB 1 37 ALA H . . 4.800 2.779 2.599 2.937 . 0 0 "[ . 1 .]" 1
329 1 36 ILE MG 1 37 ALA H . . 6.800 3.549 3.387 3.675 . 0 0 "[ . 1 .]" 1
330 1 37 ALA H 1 37 ALA HA . . 2.800 2.787 2.737 2.807 0.007 15 0 "[ . 1 .]" 1
331 1 34 TYR HA 1 37 ALA H . . 3.600 3.567 3.378 3.691 0.091 11 0 "[ . 1 .]" 1
332 1 35 ASP HA 1 37 ALA H . . 4.400 4.364 4.237 4.430 0.030 12 0 "[ . 1 .]" 1
333 1 37 ALA H 1 39 GLU H . . 4.200 4.035 3.806 4.178 . 0 0 "[ . 1 .]" 1
334 1 37 ALA HA 1 38 MET H . . 3.600 3.552 3.514 3.578 . 0 0 "[ . 1 .]" 1
335 1 37 ALA H 1 38 MET H . . 2.800 2.675 2.580 2.737 . 0 0 "[ . 1 .]" 1
336 1 37 ALA MB 1 38 MET H . . 6.000 2.519 2.435 2.613 . 0 0 "[ . 1 .]" 1
337 1 38 MET H 1 38 MET HA . . 2.800 2.816 2.805 2.834 0.034 4 0 "[ . 1 .]" 1
338 1 35 ASP HA 1 38 MET H . . 3.500 3.546 3.397 3.612 0.112 7 0 "[ . 1 .]" 1
339 1 34 TYR HA 1 38 MET H . . 4.400 3.968 3.645 4.270 . 0 0 "[ . 1 .]" 1
340 1 36 ILE HA 1 38 MET H . . 4.400 4.372 4.292 4.431 0.031 6 0 "[ . 1 .]" 1
341 1 38 MET H 1 40 ILE H . . 4.200 4.163 3.973 4.248 0.048 2 0 "[ . 1 .]" 1
342 1 38 MET HA 1 39 GLU H . . 3.600 3.496 3.439 3.548 . 0 0 "[ . 1 .]" 1
343 1 38 MET H 1 39 GLU H . . 2.800 2.586 2.472 2.641 . 0 0 "[ . 1 .]" 1
344 1 38 MET QB 1 39 GLU H . . 5.800 2.757 2.599 3.002 . 0 0 "[ . 1 .]" 1
345 1 38 MET QG 1 39 GLU H . . 5.800 4.071 3.665 4.751 . 0 0 "[ . 1 .]" 1
346 1 39 GLU H 1 39 GLU HA . . 2.800 2.816 2.801 2.836 0.036 12 0 "[ . 1 .]" 1
347 1 36 ILE HA 1 39 GLU H . . 3.500 3.370 3.142 3.575 0.075 12 0 "[ . 1 .]" 1
348 1 35 ASP HA 1 39 GLU H . . 4.400 4.198 4.004 4.415 0.015 1 0 "[ . 1 .]" 1
349 1 37 ALA HA 1 39 GLU H . . 4.400 4.381 4.176 4.446 0.046 3 0 "[ . 1 .]" 1
350 1 39 GLU H 1 41 VAL H . . 4.200 4.089 3.954 4.204 0.004 5 0 "[ . 1 .]" 1
351 1 39 GLU HA 1 40 ILE H . . 3.600 3.521 3.432 3.562 . 0 0 "[ . 1 .]" 1
352 1 39 GLU H 1 40 ILE H . . 2.800 2.643 2.424 2.748 . 0 0 "[ . 1 .]" 1
353 1 39 GLU QB 1 40 ILE H . . 5.800 2.759 2.468 3.162 . 0 0 "[ . 1 .]" 1
354 1 39 GLU QG 1 40 ILE H . . 5.800 4.089 3.559 4.583 . 0 0 "[ . 1 .]" 1
355 1 40 ILE H 1 40 ILE HA . . 2.800 2.826 2.800 2.840 0.040 12 0 "[ . 1 .]" 1
356 1 40 ILE H 1 40 ILE HB . . 4.400 2.741 2.436 2.897 . 0 0 "[ . 1 .]" 1
357 1 37 ALA HA 1 40 ILE H . . 3.500 3.518 3.481 3.547 0.047 4 0 "[ . 1 .]" 1
358 1 36 ILE HA 1 40 ILE H . . 4.200 4.006 3.730 4.208 0.008 6 0 "[ . 1 .]" 1
359 1 38 MET HA 1 40 ILE H . . 4.400 4.400 4.318 4.448 0.048 13 0 "[ . 1 .]" 1
360 1 40 ILE H 1 42 ASN H . . 4.200 4.065 3.937 4.198 . 0 0 "[ . 1 .]" 1
361 1 40 ILE HA 1 41 VAL H . . 3.600 3.524 3.494 3.572 . 0 0 "[ . 1 .]" 1
362 1 40 ILE H 1 41 VAL H . . 2.800 2.572 2.479 2.625 . 0 0 "[ . 1 .]" 1
363 1 40 ILE HB 1 41 VAL H . . 4.800 4.076 3.884 4.132 . 0 0 "[ . 1 .]" 1
364 1 40 ILE MG 1 41 VAL H . . 5.800 2.299 2.208 2.340 . 0 0 "[ . 1 .]" 1
365 1 41 VAL H 1 41 VAL HA . . 2.800 2.816 2.804 2.823 0.023 4 0 "[ . 1 .]" 1
366 1 41 VAL H 1 41 VAL HB . . 2.800 2.505 2.432 2.551 . 0 0 "[ . 1 .]" 1
367 1 38 MET HA 1 41 VAL H . . 3.500 3.470 3.303 3.586 0.086 12 0 "[ . 1 .]" 1
368 1 37 ALA HA 1 41 VAL H . . 4.200 3.935 3.617 4.201 0.001 4 0 "[ . 1 .]" 1
369 1 39 GLU HA 1 41 VAL H . . 4.400 4.415 4.320 4.466 0.066 10 0 "[ . 1 .]" 1
370 1 41 VAL H 1 43 GLY H . . 4.200 3.984 3.816 4.163 . 0 0 "[ . 1 .]" 1
371 1 41 VAL HA 1 42 ASN H . . 3.600 3.538 3.514 3.581 . 0 0 "[ . 1 .]" 1
372 1 41 VAL H 1 42 ASN H . . 2.800 2.630 2.582 2.752 . 0 0 "[ . 1 .]" 1
373 1 41 VAL HB 1 42 ASN H . . 3.200 2.834 2.610 3.002 . 0 0 "[ . 1 .]" 1
374 1 41 VAL MG1 1 42 ASN H . . 6.400 3.470 3.346 3.603 . 0 0 "[ . 1 .]" 1
375 1 41 VAL MG2 1 42 ASN H . . 6.400 3.999 3.860 4.076 . 0 0 "[ . 1 .]" 1
376 1 42 ASN H 1 42 ASN HA . . 2.800 2.818 2.793 2.835 0.035 15 0 "[ . 1 .]" 1
377 1 42 ASN H 1 42 ASN HB2 . . 4.400 2.527 2.347 2.671 . 0 0 "[ . 1 .]" 1
378 1 42 ASN H 1 42 ASN HB3 . . 4.400 2.914 2.464 3.661 . 0 0 "[ . 1 .]" 1
379 1 39 GLU HA 1 42 ASN H . . 3.500 3.439 3.150 3.568 0.068 14 0 "[ . 1 .]" 1
380 1 38 MET HA 1 42 ASN H . . 4.200 3.757 3.524 3.966 . 0 0 "[ . 1 .]" 1
381 1 40 ILE HA 1 42 ASN H . . 4.400 4.374 4.225 4.440 0.040 7 0 "[ . 1 .]" 1
382 1 42 ASN H 1 44 VAL H . . 4.200 4.159 4.045 4.240 0.040 8 0 "[ . 1 .]" 1
383 1 42 ASN HA 1 43 GLY H . . 3.600 3.474 3.379 3.518 . 0 0 "[ . 1 .]" 1
384 1 42 ASN H 1 43 GLY H . . 2.800 2.588 2.456 2.761 . 0 0 "[ . 1 .]" 1
385 1 42 ASN HB2 1 43 GLY H . . 4.400 3.674 2.949 4.067 . 0 0 "[ . 1 .]" 1
386 1 42 ASN HB3 1 43 GLY H . . 4.400 3.111 2.562 4.020 . 0 0 "[ . 1 .]" 1
387 1 43 GLY H 1 43 GLY HA2 . . 2.800 2.820 2.807 2.871 0.071 11 0 "[ . 1 .]" 1
388 1 40 ILE HA 1 43 GLY H . . 3.500 3.329 3.127 3.504 0.004 2 0 "[ . 1 .]" 1
389 1 39 GLU HA 1 43 GLY H . . 4.600 3.984 3.591 4.479 . 0 0 "[ . 1 .]" 1
390 1 41 VAL HA 1 43 GLY H . . 4.400 4.185 3.854 4.409 0.009 2 0 "[ . 1 .]" 1
391 1 43 GLY H 1 45 ASP H . . 4.200 3.929 3.609 4.075 . 0 0 "[ . 1 .]" 1
392 1 43 GLY HA2 1 44 VAL H . . 3.600 3.521 3.504 3.539 . 0 0 "[ . 1 .]" 1
393 1 43 GLY HA3 1 44 VAL H . . 3.600 2.741 2.682 2.839 . 0 0 "[ . 1 .]" 1
394 1 43 GLY H 1 44 VAL H . . 2.800 2.590 2.342 2.663 . 0 0 "[ . 1 .]" 1
395 1 44 VAL H 1 44 VAL HA . . 2.800 2.807 2.759 2.832 0.032 5 0 "[ . 1 .]" 1
396 1 44 VAL H 1 44 VAL HB . . 2.600 2.554 2.463 2.607 0.007 3 0 "[ . 1 .]" 1
397 1 41 VAL HA 1 44 VAL H . . 3.500 3.293 3.015 3.480 . 0 0 "[ . 1 .]" 1
398 1 40 ILE HA 1 44 VAL H . . 4.200 4.012 3.841 4.199 . 0 0 "[ . 1 .]" 1
399 1 42 ASN HA 1 44 VAL H . . 4.400 4.421 4.298 4.482 0.082 6 0 "[ . 1 .]" 1
400 1 44 VAL H 1 46 ARG H . . 4.200 4.173 4.045 4.232 0.032 15 0 "[ . 1 .]" 1
401 1 44 VAL HA 1 45 ASP H . . 3.600 3.474 3.452 3.507 . 0 0 "[ . 1 .]" 1
402 1 44 VAL H 1 45 ASP H . . 2.800 2.564 2.432 2.653 . 0 0 "[ . 1 .]" 1
403 1 44 VAL HB 1 45 ASP H . . 3.200 2.549 2.385 2.707 . 0 0 "[ . 1 .]" 1
404 1 44 VAL MG1 1 45 ASP H . . 6.400 3.408 3.332 3.562 . 0 0 "[ . 1 .]" 1
405 1 44 VAL MG2 1 45 ASP H . . 6.800 3.767 3.669 3.919 . 0 0 "[ . 1 .]" 1
406 1 45 ASP H 1 45 ASP HA . . 2.800 2.777 2.748 2.804 0.004 12 0 "[ . 1 .]" 1
407 1 45 ASP H 1 45 ASP HB3 . . 4.400 2.417 2.258 2.591 . 0 0 "[ . 1 .]" 1
408 1 45 ASP H 1 45 ASP HB2 . . 4.400 2.482 2.328 2.656 . 0 0 "[ . 1 .]" 1
409 1 42 ASN HA 1 45 ASP H . . 3.500 3.348 3.015 3.541 0.041 2 0 "[ . 1 .]" 1
410 1 41 VAL HA 1 45 ASP H . . 4.200 3.828 3.714 3.959 . 0 0 "[ . 1 .]" 1
411 1 43 GLY HA2 1 45 ASP H . . 4.400 4.401 4.184 4.442 0.042 13 0 "[ . 1 .]" 1
412 1 45 ASP H 1 47 VAL H . . 4.200 4.067 3.968 4.138 . 0 0 "[ . 1 .]" 1
413 1 45 ASP HA 1 46 ARG H . . 3.600 3.486 3.444 3.521 . 0 0 "[ . 1 .]" 1
414 1 45 ASP H 1 46 ARG H . . 2.800 2.767 2.672 2.832 0.032 11 0 "[ . 1 .]" 1
415 1 45 ASP HB3 1 46 ARG H . . 4.400 2.396 2.252 2.697 . 0 0 "[ . 1 .]" 1
416 1 45 ASP HB2 1 46 ARG H . . 4.400 3.754 3.643 4.006 . 0 0 "[ . 1 .]" 1
417 1 46 ARG H 1 46 ARG HA . . 2.800 2.813 2.769 2.848 0.048 6 0 "[ . 1 .]" 1
418 1 43 GLY HA2 1 46 ARG H . . 3.600 3.510 3.305 3.622 0.022 8 0 "[ . 1 .]" 1
419 1 42 ASN HA 1 46 ARG H . . 4.400 4.014 3.738 4.302 . 0 0 "[ . 1 .]" 1
420 1 44 VAL HA 1 46 ARG H . . 4.400 4.399 4.338 4.443 0.043 4 0 "[ . 1 .]" 1
421 1 46 ARG H 1 48 ILE H . . 4.200 4.094 3.914 4.208 0.008 14 0 "[ . 1 .]" 1
422 1 46 ARG HA 1 47 VAL H . . 3.600 3.487 3.393 3.518 . 0 0 "[ . 1 .]" 1
423 1 46 ARG H 1 47 VAL H . . 2.800 2.552 2.446 2.627 . 0 0 "[ . 1 .]" 1
424 1 46 ARG QB 1 47 VAL H . . 5.400 2.717 2.505 3.064 . 0 0 "[ . 1 .]" 1
425 1 46 ARG QG 1 47 VAL H . . 5.800 4.008 3.391 4.575 . 0 0 "[ . 1 .]" 1
426 1 47 VAL H 1 47 VAL HA . . 2.800 2.823 2.812 2.834 0.034 4 0 "[ . 1 .]" 1
427 1 47 VAL H 1 47 VAL HB . . 2.800 2.528 2.470 2.616 . 0 0 "[ . 1 .]" 1
428 1 44 VAL HA 1 47 VAL H . . 3.500 3.419 3.320 3.502 0.002 3 0 "[ . 1 .]" 1
429 1 43 GLY HA2 1 47 VAL H . . 4.400 4.314 4.173 4.439 0.039 11 0 "[ . 1 .]" 1
430 1 45 ASP HA 1 47 VAL H . . 4.400 4.412 4.301 4.450 0.050 15 0 "[ . 1 .]" 1
431 1 47 VAL H 1 49 LYS H . . 4.200 4.100 3.974 4.200 . 0 0 "[ . 1 .]" 1
432 1 47 VAL HA 1 48 ILE H . . 3.600 3.543 3.510 3.594 . 0 0 "[ . 1 .]" 1
433 1 47 VAL H 1 48 ILE H . . 2.800 2.616 2.499 2.729 . 0 0 "[ . 1 .]" 1
434 1 47 VAL HB 1 48 ILE H . . 3.200 2.809 2.629 2.969 . 0 0 "[ . 1 .]" 1
435 1 47 VAL MG1 1 48 ILE H . . 6.000 3.513 3.388 3.632 . 0 0 "[ . 1 .]" 1
436 1 47 VAL MG2 1 48 ILE H . . 6.400 3.963 3.834 4.048 . 0 0 "[ . 1 .]" 1
437 1 48 ILE H 1 48 ILE HA . . 2.800 2.847 2.818 2.879 0.079 9 0 "[ . 1 .]" 1
438 1 48 ILE H 1 48 ILE HB . . 2.600 2.468 2.249 2.604 0.004 9 0 "[ . 1 .]" 1
439 1 44 VAL HA 1 48 ILE H . . 4.200 4.086 3.890 4.214 0.014 11 0 "[ . 1 .]" 1
440 1 45 ASP HA 1 48 ILE H . . 3.500 3.586 3.530 3.648 0.148 9 0 "[ . 1 .]" 1
441 1 46 ARG HA 1 48 ILE H . . 4.400 4.384 4.231 4.431 0.031 14 0 "[ . 1 .]" 1
442 1 48 ILE H 1 50 ALA H . . 4.200 3.944 3.795 4.032 . 0 0 "[ . 1 .]" 1
443 1 48 ILE HA 1 49 LYS H . . 3.600 3.512 3.476 3.561 . 0 0 "[ . 1 .]" 1
444 1 48 ILE H 1 49 LYS H . . 2.800 2.634 2.532 2.810 0.010 7 0 "[ . 1 .]" 1
445 1 48 ILE HB 1 49 LYS H . . 3.200 2.732 2.578 2.944 . 0 0 "[ . 1 .]" 1
446 1 48 ILE MG 1 49 LYS H . . 6.400 3.394 3.001 3.695 . 0 0 "[ . 1 .]" 1
447 1 49 LYS H 1 49 LYS HA . . 2.800 2.836 2.806 2.859 0.059 6 0 "[ . 1 .]" 1
448 1 46 ARG HA 1 49 LYS H . . 3.500 3.460 3.289 3.571 0.071 5 0 "[ . 1 .]" 1
449 1 45 ASP HA 1 49 LYS H . . 4.200 4.107 3.945 4.222 0.022 7 0 "[ . 1 .]" 1
450 1 47 VAL HA 1 49 LYS H . . 4.400 4.403 4.278 4.450 0.050 3 0 "[ . 1 .]" 1
451 1 49 LYS H 1 51 SER H . . 4.200 4.175 4.005 4.220 0.020 6 0 "[ . 1 .]" 1
452 1 49 LYS HA 1 50 ALA H . . 3.600 3.420 3.317 3.500 . 0 0 "[ . 1 .]" 1
453 1 49 LYS H 1 50 ALA H . . 2.800 2.518 2.382 2.689 . 0 0 "[ . 1 .]" 1
454 1 49 LYS QB 1 50 ALA H . . 5.800 3.062 2.720 3.672 . 0 0 "[ . 1 .]" 1
455 1 50 ALA H 1 50 ALA HA . . 2.800 2.868 2.844 2.893 0.093 12 0 "[ . 1 .]" 1
456 1 47 VAL HA 1 50 ALA H . . 3.800 3.423 3.208 3.718 . 0 0 "[ . 1 .]" 1
457 1 46 ARG HA 1 50 ALA H . . 4.200 4.207 4.047 4.265 0.065 12 0 "[ . 1 .]" 1
458 1 48 ILE HA 1 50 ALA H . . 4.400 4.068 3.797 4.269 . 0 0 "[ . 1 .]" 1
459 1 50 ALA H 1 52 PHE H . . 4.200 3.702 3.482 4.013 . 0 0 "[ . 1 .]" 1
460 1 50 ALA HA 1 51 SER H . . 3.600 3.539 3.380 3.603 0.003 5 0 "[ . 1 .]" 1
461 1 50 ALA H 1 51 SER H . . 2.800 2.384 2.241 2.539 . 0 0 "[ . 1 .]" 1
462 1 50 ALA MB 1 51 SER H . . 6.400 2.678 2.376 3.088 . 0 0 "[ . 1 .]" 1
463 1 51 SER H 1 51 SER HA . . 2.800 2.872 2.840 2.899 0.099 10 0 "[ . 1 .]" 1
464 1 51 SER H 1 51 SER HB2 . . 4.400 2.515 2.416 2.723 . 0 0 "[ . 1 .]" 1
465 1 51 SER H 1 51 SER HB3 . . 4.400 3.316 2.450 3.670 . 0 0 "[ . 1 .]" 1
466 1 48 ILE HA 1 51 SER H . . 3.500 3.491 3.237 3.591 0.091 5 0 "[ . 1 .]" 1
467 1 47 VAL HA 1 51 SER H . . 4.200 3.745 3.464 4.074 . 0 0 "[ . 1 .]" 1
468 1 51 SER HA 1 52 PHE H . . 3.600 3.417 3.315 3.488 . 0 0 "[ . 1 .]" 1
469 1 51 SER H 1 52 PHE H . . 2.800 2.379 2.138 2.594 . 0 0 "[ . 1 .]" 1
470 1 51 SER HB2 1 52 PHE H . . 4.400 3.561 3.192 4.303 . 0 0 "[ . 1 .]" 1
471 1 51 SER HB3 1 52 PHE H . . 4.400 3.978 3.223 4.291 . 0 0 "[ . 1 .]" 1
472 1 52 PHE H 1 52 PHE HA . . 2.800 2.886 2.877 2.899 0.099 13 0 "[ . 1 .]" 1
473 1 52 PHE H 1 52 PHE HB2 . . 4.000 2.723 2.603 2.821 . 0 0 "[ . 1 .]" 1
474 1 52 PHE H 1 52 PHE HB3 . . 4.000 3.788 3.722 3.843 . 0 0 "[ . 1 .]" 1
475 1 49 LYS HA 1 52 PHE H . . 4.400 3.856 3.550 4.198 . 0 0 "[ . 1 .]" 1
476 1 48 ILE HA 1 52 PHE H . . 4.600 3.705 3.392 3.955 . 0 0 "[ . 1 .]" 1
477 1 50 ALA HA 1 52 PHE H . . 4.800 4.237 3.839 4.451 . 0 0 "[ . 1 .]" 1
478 1 52 PHE HA 1 53 ASN H . . 2.600 2.511 2.226 2.612 0.012 11 0 "[ . 1 .]" 1
479 1 52 PHE H 1 53 ASN H . . 4.800 4.239 4.177 4.300 . 0 0 "[ . 1 .]" 1
480 1 52 PHE HB2 1 53 ASN H . . 4.400 3.174 3.009 3.696 . 0 0 "[ . 1 .]" 1
481 1 52 PHE HB3 1 53 ASN H . . 4.400 2.036 1.791 2.558 . 0 0 "[ . 1 .]" 1
482 1 53 ASN H 1 53 ASN HA . . 2.800 2.889 2.868 2.901 0.101 11 0 "[ . 1 .]" 1
483 1 53 ASN H 1 74 GLU H . . 4.400 3.343 2.966 3.722 . 0 0 "[ . 1 .]" 1
484 1 53 ASN H 1 75 LYS HA . . 4.000 3.415 2.741 4.011 0.011 9 0 "[ . 1 .]" 1
485 1 53 ASN H 1 74 GLU HA . . 5.800 5.281 4.852 5.785 . 0 0 "[ . 1 .]" 1
486 1 53 ASN H 1 73 LEU HA . . 5.000 4.545 4.123 4.737 . 0 0 "[ . 1 .]" 1
487 1 48 ILE HA 1 53 ASN H . . 6.400 6.496 6.444 6.542 0.142 10 0 "[ . 1 .]" 1
488 1 53 ASN H 1 73 LEU MD1 . . 7.000 3.976 3.292 6.557 . 0 0 "[ . 1 .]" 1
489 1 53 ASN H 1 73 LEU MD2 . . 7.200 5.938 5.194 6.588 . 0 0 "[ . 1 .]" 1
490 1 53 ASN HA 1 54 ALA H . . 3.000 2.208 2.136 2.278 . 0 0 "[ . 1 .]" 1
491 1 53 ASN H 1 54 ALA H . . 4.400 4.004 3.622 4.206 . 0 0 "[ . 1 .]" 1
492 1 53 ASN QB 1 54 ALA H . . 5.800 3.939 3.823 3.989 . 0 0 "[ . 1 .]" 1
493 1 54 ALA H 1 54 ALA HA . . 2.800 2.877 2.862 2.888 0.088 6 0 "[ . 1 .]" 1
494 1 54 ALA H 1 74 GLU H . . 5.400 5.006 4.661 5.179 . 0 0 "[ . 1 .]" 1
495 1 54 ALA H 1 73 LEU HA . . 5.400 4.942 4.547 5.076 . 0 0 "[ . 1 .]" 1
496 1 49 LYS HA 1 54 ALA H . . 3.600 3.373 2.754 3.644 0.044 12 0 "[ . 1 .]" 1
497 1 54 ALA HA 1 55 SER H . . 2.400 2.134 2.084 2.216 . 0 0 "[ . 1 .]" 1
498 1 54 ALA H 1 55 SER H . . 4.800 4.285 4.140 4.452 . 0 0 "[ . 1 .]" 1
499 1 54 ALA MB 1 55 SER H . . 5.800 2.865 2.504 2.991 . 0 0 "[ . 1 .]" 1
500 1 55 SER H 1 55 SER HA . . 3.000 2.919 2.890 2.936 . 0 0 "[ . 1 .]" 1
501 1 55 SER H 1 55 SER HB2 . . 4.400 2.754 2.488 3.597 . 0 0 "[ . 1 .]" 1
502 1 55 SER H 1 55 SER HB3 . . 4.400 3.446 2.534 3.730 . 0 0 "[ . 1 .]" 1
503 1 55 SER H 1 72 THR H . . 3.400 2.971 2.663 3.321 . 0 0 "[ . 1 .]" 1
504 1 55 SER H 1 73 LEU H . . 5.200 4.953 4.762 5.151 . 0 0 "[ . 1 .]" 1
505 1 55 SER H 1 74 GLU H . . 5.200 5.058 4.813 5.236 0.036 3 0 "[ . 1 .]" 1
506 1 55 SER H 1 73 LEU HA . . 4.000 3.760 3.202 4.027 0.027 1 0 "[ . 1 .]" 1
507 1 55 SER H 1 72 THR HA . . 5.000 4.675 4.488 4.887 . 0 0 "[ . 1 .]" 1
508 1 55 SER H 1 71 TYR HA . . 5.000 4.351 4.055 4.686 . 0 0 "[ . 1 .]" 1
509 1 55 SER H 1 72 THR HB . . 4.400 3.102 2.696 3.792 . 0 0 "[ . 1 .]" 1
510 1 55 SER H 1 73 LEU MD1 . . 6.800 3.936 2.446 4.819 . 0 0 "[ . 1 .]" 1
511 1 55 SER H 1 73 LEU MD2 . . 6.800 4.495 3.886 6.319 . 0 0 "[ . 1 .]" 1
512 1 55 SER HA 1 56 VAL H . . 2.400 2.198 2.144 2.402 0.002 6 0 "[ . 1 .]" 1
513 1 55 SER H 1 56 VAL H . . 4.800 4.228 3.967 4.499 . 0 0 "[ . 1 .]" 1
514 1 55 SER HB2 1 56 VAL H . . 4.400 4.131 3.389 4.389 . 0 0 "[ . 1 .]" 1
515 1 55 SER HB3 1 56 VAL H . . 4.400 3.740 3.377 4.283 . 0 0 "[ . 1 .]" 1
516 1 56 VAL H 1 56 VAL HA . . 3.000 2.902 2.882 2.920 . 0 0 "[ . 1 .]" 1
517 1 56 VAL H 1 56 VAL HB . . 3.400 2.999 2.803 3.257 . 0 0 "[ . 1 .]" 1
518 1 56 VAL H 1 72 THR H . . 5.200 4.841 4.652 4.982 . 0 0 "[ . 1 .]" 1
519 1 56 VAL H 1 71 TYR HA . . 5.200 4.730 4.629 4.828 . 0 0 "[ . 1 .]" 1
520 1 56 VAL HA 1 57 GLU H . . 2.400 2.142 2.022 2.247 . 0 0 "[ . 1 .]" 1
521 1 56 VAL H 1 57 GLU H . . 4.400 4.356 4.229 4.468 0.068 1 0 "[ . 1 .]" 1
522 1 56 VAL HB 1 57 GLU H . . 4.200 4.145 3.968 4.224 0.024 11 0 "[ . 1 .]" 1
523 1 56 VAL MG2 1 57 GLU H . . 5.400 2.703 2.148 2.923 . 0 0 "[ . 1 .]" 1
524 1 56 VAL MG1 1 57 GLU H . . 6.400 4.061 3.607 4.213 . 0 0 "[ . 1 .]" 1
525 1 57 GLU H 1 57 GLU HA . . 3.000 2.933 2.916 2.947 . 0 0 "[ . 1 .]" 1
526 1 57 GLU H 1 70 LYS H . . 3.600 3.281 2.808 3.536 . 0 0 "[ . 1 .]" 1
527 1 57 GLU H 1 71 TYR H . . 5.000 4.725 4.616 4.862 . 0 0 "[ . 1 .]" 1
528 1 57 GLU H 1 72 THR H . . 5.000 4.378 3.859 4.923 . 0 0 "[ . 1 .]" 1
529 1 57 GLU H 1 71 TYR HA . . 3.600 3.202 2.829 3.544 . 0 0 "[ . 1 .]" 1
530 1 57 GLU H 1 70 LYS HA . . 5.000 4.796 4.643 4.967 . 0 0 "[ . 1 .]" 1
531 1 57 GLU H 1 69 ARG HA . . 5.000 4.751 4.471 5.004 0.004 2 0 "[ . 1 .]" 1
532 1 57 GLU H 1 71 TYR QD . . 6.800 4.786 4.477 5.013 . 0 0 "[ . 1 .]" 1
533 1 57 GLU H 1 71 TYR QE . . 6.800 5.569 5.339 5.972 . 0 0 "[ . 1 .]" 1
534 1 57 GLU H 1 71 TYR HB2 . . 5.800 5.816 5.541 5.906 0.106 14 0 "[ . 1 .]" 1
535 1 57 GLU H 1 71 TYR HB3 . . 5.800 5.544 5.082 5.803 0.003 14 0 "[ . 1 .]" 1
536 1 57 GLU HA 1 58 GLU H . . 2.400 2.197 2.102 2.318 . 0 0 "[ . 1 .]" 1
537 1 57 GLU H 1 58 GLU H . . 4.800 4.238 4.054 4.417 . 0 0 "[ . 1 .]" 1
538 1 57 GLU QB 1 58 GLU H . . 5.800 3.585 3.192 3.911 . 0 0 "[ . 1 .]" 1
539 1 57 GLU QG 1 58 GLU H . . 5.800 3.477 2.454 4.427 . 0 0 "[ . 1 .]" 1
540 1 58 GLU H 1 58 GLU HA . . 3.000 2.903 2.882 2.923 . 0 0 "[ . 1 .]" 1
541 1 58 GLU H 1 70 LYS H . . 5.200 4.826 4.624 5.001 . 0 0 "[ . 1 .]" 1
542 1 58 GLU H 1 69 ARG HA . . 5.200 4.928 4.630 5.269 0.069 1 0 "[ . 1 .]" 1
543 1 58 GLU HA 1 59 LEU H . . 2.400 2.112 1.961 2.233 . 0 0 "[ . 1 .]" 1
544 1 58 GLU H 1 59 LEU H . . 4.800 4.397 4.030 4.533 . 0 0 "[ . 1 .]" 1
545 1 58 GLU QB 1 59 LEU H . . 5.400 3.091 2.799 3.398 . 0 0 "[ . 1 .]" 1
546 1 58 GLU QG 1 59 LEU H . . 5.400 4.214 3.924 4.770 . 0 0 "[ . 1 .]" 1
547 1 59 LEU H 1 59 LEU HA . . 3.000 2.919 2.908 2.935 . 0 0 "[ . 1 .]" 1
548 1 59 LEU H 1 59 LEU HG . . 4.400 3.794 3.128 4.295 . 0 0 "[ . 1 .]" 1
549 1 59 LEU H 1 68 TYR H . . 4.000 3.505 3.289 3.742 . 0 0 "[ . 1 .]" 1
550 1 59 LEU H 1 69 ARG H . . 5.200 4.693 4.503 4.898 . 0 0 "[ . 1 .]" 1
551 1 59 LEU H 1 70 LYS H . . 5.200 4.019 3.681 4.503 . 0 0 "[ . 1 .]" 1
552 1 59 LEU H 1 69 ARG HA . . 4.000 2.918 2.463 3.343 . 0 0 "[ . 1 .]" 1
553 1 59 LEU H 1 68 TYR HA . . 6.000 4.889 4.701 5.082 . 0 0 "[ . 1 .]" 1
554 1 59 LEU H 1 67 LEU HA . . 6.400 5.467 5.189 5.748 . 0 0 "[ . 1 .]" 1
555 1 59 LEU H 1 68 TYR HB2 . . 5.400 4.890 4.517 5.223 . 0 0 "[ . 1 .]" 1
556 1 59 LEU H 1 68 TYR HB3 . . 5.400 3.295 2.881 3.719 . 0 0 "[ . 1 .]" 1
557 1 59 LEU HA 1 60 GLU H . . 2.600 2.495 2.371 2.582 . 0 0 "[ . 1 .]" 1
558 1 59 LEU H 1 60 GLU H . . 4.800 4.339 4.292 4.438 . 0 0 "[ . 1 .]" 1
559 1 59 LEU QB 1 60 GLU H . . 5.000 2.124 1.965 2.298 . 0 0 "[ . 1 .]" 1
560 1 59 LEU HG 1 60 GLU H . . 5.000 4.270 3.751 4.852 . 0 0 "[ . 1 .]" 1
561 1 59 LEU MD1 1 60 GLU H . . 6.800 4.514 4.186 4.735 . 0 0 "[ . 1 .]" 1
562 1 59 LEU MD2 1 60 GLU H . . 6.800 3.760 3.253 4.098 . 0 0 "[ . 1 .]" 1
563 1 60 GLU H 1 60 GLU HA . . 3.000 2.905 2.887 2.920 . 0 0 "[ . 1 .]" 1
564 1 60 GLU H 1 60 GLU HB3 . . 4.000 3.187 2.384 3.683 . 0 0 "[ . 1 .]" 1
565 1 60 GLU H 1 60 GLU HB2 . . 4.000 2.811 2.389 3.683 . 0 0 "[ . 1 .]" 1
566 1 60 GLU H 1 68 TYR QD . . 6.800 5.516 5.043 5.732 . 0 0 "[ . 1 .]" 1
567 1 60 GLU H 1 68 TYR QE . . 7.200 7.040 6.388 7.282 0.082 9 0 "[ . 1 .]" 1
568 1 60 GLU HA 1 61 GLY H . . 2.800 2.224 2.099 2.403 . 0 0 "[ . 1 .]" 1
569 1 60 GLU H 1 61 GLY H . . 4.400 4.412 4.298 4.458 0.058 13 0 "[ . 1 .]" 1
570 1 60 GLU HB3 1 61 GLY H . . 4.400 3.271 2.357 3.968 . 0 0 "[ . 1 .]" 1
571 1 60 GLU HB2 1 61 GLY H . . 4.400 3.614 2.440 4.121 . 0 0 "[ . 1 .]" 1
572 1 60 GLU QG 1 61 GLY H . . 5.400 3.515 2.423 4.355 . 0 0 "[ . 1 .]" 1
573 1 61 GLY H 1 61 GLY HA2 . . 3.000 2.903 2.823 2.934 . 0 0 "[ . 1 .]" 1
574 1 61 GLY H 1 68 TYR QD . . 6.800 4.945 4.433 5.138 . 0 0 "[ . 1 .]" 1
575 1 61 GLY H 1 68 TYR QE . . 7.200 7.068 6.563 7.227 0.027 8 0 "[ . 1 .]" 1
576 1 61 GLY H 1 68 TYR HB2 . . 5.200 3.664 3.123 3.968 . 0 0 "[ . 1 .]" 1
577 1 61 GLY H 1 68 TYR HB3 . . 5.200 4.305 3.669 4.815 . 0 0 "[ . 1 .]" 1
578 1 61 GLY H 1 65 ASP H . . 6.200 5.828 5.370 6.212 0.012 4 0 "[ . 1 .]" 1
579 1 61 GLY H 1 65 ASP HB2 . . 5.000 4.098 3.338 5.030 0.030 2 0 "[ . 1 .]" 1
580 1 61 GLY H 1 65 ASP HB3 . . 5.000 4.329 3.588 4.875 . 0 0 "[ . 1 .]" 1
581 1 59 LEU MD2 1 61 GLY H . . 7.400 6.791 6.523 7.097 . 0 0 "[ . 1 .]" 1
582 1 59 LEU QB 1 61 GLY H . . 6.400 5.120 4.650 5.379 . 0 0 "[ . 1 .]" 1
583 1 61 GLY HA2 1 62 GLU H . . 2.600 2.476 2.267 2.617 0.017 15 0 "[ . 1 .]" 1
584 1 61 GLY HA3 1 62 GLU H . . 3.000 2.612 2.524 2.936 . 0 0 "[ . 1 .]" 1
585 1 61 GLY H 1 62 GLU H . . 4.800 4.462 4.365 4.614 . 0 0 "[ . 1 .]" 1
586 1 62 GLU H 1 62 GLU HA . . 2.800 2.845 2.824 2.875 0.075 12 0 "[ . 1 .]" 1
587 1 62 GLU H 1 68 TYR QD . . 6.800 3.891 2.967 4.824 . 0 0 "[ . 1 .]" 1
588 1 62 GLU H 1 68 TYR QE . . 6.800 5.262 4.309 6.170 . 0 0 "[ . 1 .]" 1
589 1 62 GLU H 1 65 ASP H . . 4.000 3.705 3.236 4.039 0.039 3 0 "[ . 1 .]" 1
590 1 62 GLU H 1 65 ASP HA . . 5.400 5.040 4.667 5.375 . 0 0 "[ . 1 .]" 1
591 1 62 GLU H 1 65 ASP HB2 . . 3.000 2.256 1.787 2.617 . 0 0 "[ . 1 .]" 1
592 1 62 GLU H 1 65 ASP HB3 . . 4.000 3.547 2.919 4.003 0.003 14 0 "[ . 1 .]" 1
593 1 62 GLU HA 1 63 ASP H . . 2.400 2.349 2.066 2.513 0.113 5 0 "[ . 1 .]" 1
594 1 62 GLU H 1 63 ASP H . . 4.800 4.467 4.356 4.589 . 0 0 "[ . 1 .]" 1
595 1 62 GLU HB3 1 63 ASP H . . 4.000 3.513 2.005 4.083 0.083 1 0 "[ . 1 .]" 1
596 1 62 GLU HB2 1 63 ASP H . . 4.000 3.000 2.054 4.017 0.017 1 0 "[ . 1 .]" 1
597 1 63 ASP H 1 63 ASP HA . . 2.600 2.563 2.220 2.745 0.145 5 0 "[ . 1 .]" 1
598 1 63 ASP H 1 63 ASP HB3 . . 4.000 3.176 2.308 4.061 0.061 12 0 "[ . 1 .]" 1
599 1 63 ASP H 1 63 ASP HB2 . . 4.000 2.719 2.281 3.596 . 0 0 "[ . 1 .]" 1
600 1 63 ASP HA 1 64 CYS H . . 3.400 3.455 3.405 3.484 0.084 15 0 "[ . 1 .]" 1
601 1 63 ASP H 1 64 CYS H . . 3.200 3.214 2.515 4.124 0.924 12 5 "[- * . 1 +* *]" 1
602 1 63 ASP HB2 1 64 CYS H . . 4.800 3.322 2.122 3.912 . 0 0 "[ . 1 .]" 1
603 1 63 ASP HB3 1 64 CYS H . . 4.800 2.726 1.905 3.845 . 0 0 "[ . 1 .]" 1
604 1 64 CYS H 1 64 CYS HA . . 2.800 2.854 2.794 2.895 0.095 15 0 "[ . 1 .]" 1
605 1 64 CYS H 1 64 CYS HB3 . . 4.000 2.910 2.388 3.649 . 0 0 "[ . 1 .]" 1
606 1 64 CYS H 1 64 CYS HB2 . . 4.000 2.637 2.155 3.623 . 0 0 "[ . 1 .]" 1
607 1 62 GLU QB 1 64 CYS H . . 5.800 3.587 2.273 4.911 . 0 0 "[ . 1 .]" 1
608 1 62 GLU QG 1 64 CYS H . . 5.800 3.060 1.869 4.837 . 0 0 "[ . 1 .]" 1
609 1 64 CYS HA 1 65 ASP H . . 3.600 3.381 3.230 3.508 . 0 0 "[ . 1 .]" 1
610 1 64 CYS H 1 65 ASP H . . 2.200 2.432 2.085 2.652 0.452 1 0 "[ . 1 .]" 1
611 1 64 CYS QB 1 65 ASP H . . 5.800 3.256 2.576 3.919 . 0 0 "[ . 1 .]" 1
612 1 65 ASP H 1 65 ASP HA . . 2.800 2.881 2.829 2.905 0.105 9 0 "[ . 1 .]" 1
613 1 65 ASP H 1 65 ASP HB2 . . 3.600 2.481 2.378 2.641 . 0 0 "[ . 1 .]" 1
614 1 65 ASP H 1 65 ASP HB3 . . 3.600 3.581 2.791 3.699 0.099 10 0 "[ . 1 .]" 1
615 1 65 ASP H 1 88 LYS H . . 5.400 4.880 4.673 5.298 . 0 0 "[ . 1 .]" 1
616 1 65 ASP H 1 87 ARG HA . . 4.800 4.538 4.115 4.841 0.041 2 0 "[ . 1 .]" 1
617 1 65 ASP H 1 67 LEU H . . 5.800 5.797 5.637 5.847 0.047 15 0 "[ . 1 .]" 1
618 1 61 GLY HA2 1 65 ASP H . . 5.800 5.479 5.017 5.733 . 0 0 "[ . 1 .]" 1
619 1 61 GLY HA3 1 65 ASP H . . 5.200 4.326 4.072 4.602 . 0 0 "[ . 1 .]" 1
620 1 62 GLU HA 1 65 ASP H . . 5.200 4.460 4.092 4.740 . 0 0 "[ . 1 .]" 1
621 1 62 GLU HG3 1 65 ASP H . . 4.400 3.477 2.111 4.504 0.104 4 0 "[ . 1 .]" 1
622 1 62 GLU HG2 1 65 ASP H . . 5.000 4.307 3.035 5.177 0.177 1 0 "[ . 1 .]" 1
623 1 63 ASP HA 1 65 ASP H . . 5.200 4.138 3.640 4.641 . 0 0 "[ . 1 .]" 1
624 1 63 ASP HB2 1 65 ASP H . . 5.200 5.088 3.942 5.351 0.151 10 0 "[ . 1 .]" 1
625 1 63 ASP HB3 1 65 ASP H . . 5.200 4.690 3.827 5.333 0.133 9 0 "[ . 1 .]" 1
626 1 65 ASP HA 1 66 VAL H . . 2.400 2.199 2.041 2.399 . 0 0 "[ . 1 .]" 1
627 1 65 ASP H 1 66 VAL H . . 4.800 4.380 4.270 4.511 . 0 0 "[ . 1 .]" 1
628 1 65 ASP HB2 1 66 VAL H . . 4.000 3.836 3.330 4.066 0.066 10 0 "[ . 1 .]" 1
629 1 65 ASP HB3 1 66 VAL H . . 4.000 2.857 2.122 3.453 . 0 0 "[ . 1 .]" 1
630 1 66 VAL H 1 66 VAL HA . . 3.000 2.892 2.861 2.929 . 0 0 "[ . 1 .]" 1
631 1 66 VAL H 1 66 VAL HB . . 4.400 2.566 2.445 2.663 . 0 0 "[ . 1 .]" 1
632 1 66 VAL H 1 86 LEU H . . 5.000 3.695 3.409 3.955 . 0 0 "[ . 1 .]" 1
633 1 66 VAL H 1 87 ARG H . . 5.400 4.656 4.373 4.793 . 0 0 "[ . 1 .]" 1
634 1 66 VAL H 1 88 LYS H . . 5.800 3.899 3.369 4.275 . 0 0 "[ . 1 .]" 1
635 1 66 VAL H 1 87 ARG HA . . 3.600 2.894 2.285 3.240 . 0 0 "[ . 1 .]" 1
636 1 66 VAL H 1 86 LEU QD . . 6.800 4.670 4.382 4.934 . 0 0 "[ . 1 .]" 1
637 1 66 VAL HA 1 67 LEU H . . 3.600 3.419 3.387 3.463 . 0 0 "[ . 1 .]" 1
638 1 66 VAL H 1 67 LEU H . . 2.800 2.149 1.845 2.418 . 0 0 "[ . 1 .]" 1
639 1 66 VAL HB 1 67 LEU H . . 4.000 2.937 2.524 3.356 . 0 0 "[ . 1 .]" 1
640 1 66 VAL QG 1 67 LEU H . . 5.800 3.355 3.181 3.509 . 0 0 "[ . 1 .]" 1
641 1 67 LEU H 1 67 LEU HA . . 3.000 2.894 2.842 2.920 . 0 0 "[ . 1 .]" 1
642 1 67 LEU H 1 67 LEU HG . . 4.800 4.582 4.495 4.695 . 0 0 "[ . 1 .]" 1
643 1 67 LEU H 1 86 LEU H . . 3.000 2.689 2.611 2.794 . 0 0 "[ . 1 .]" 1
644 1 67 LEU H 1 87 ARG H . . 6.000 5.554 5.267 5.717 . 0 0 "[ . 1 .]" 1
645 1 67 LEU H 1 88 LYS H . . 6.000 5.979 5.639 6.099 0.099 5 0 "[ . 1 .]" 1
646 1 67 LEU H 1 85 LYS HA . . 4.400 4.373 4.281 4.458 0.058 5 0 "[ . 1 .]" 1
647 1 65 ASP HA 1 67 LEU H . . 4.000 3.937 3.663 4.130 0.130 4 0 "[ . 1 .]" 1
648 1 65 ASP HB2 1 67 LEU H . . 4.400 4.380 4.051 4.537 0.137 2 0 "[ . 1 .]" 1
649 1 65 ASP HB3 1 67 LEU H . . 4.400 3.121 2.663 3.625 . 0 0 "[ . 1 .]" 1
650 1 67 LEU HA 1 68 TYR H . . 2.400 2.228 2.150 2.310 . 0 0 "[ . 1 .]" 1
651 1 67 LEU H 1 68 TYR H . . 4.800 4.234 4.115 4.356 . 0 0 "[ . 1 .]" 1
652 1 67 LEU QB 1 68 TYR H . . 5.400 3.597 3.465 3.692 . 0 0 "[ . 1 .]" 1
653 1 67 LEU QD 1 68 TYR H . . 5.800 2.199 2.093 2.361 . 0 0 "[ . 1 .]" 1
654 1 67 LEU HG 1 68 TYR H . . 3.600 2.706 2.363 3.047 . 0 0 "[ . 1 .]" 1
655 1 68 TYR H 1 68 TYR HA . . 3.000 2.922 2.905 2.937 . 0 0 "[ . 1 .]" 1
656 1 68 TYR H 1 68 TYR HB3 . . 4.400 2.630 2.537 2.751 . 0 0 "[ . 1 .]" 1
657 1 68 TYR H 1 68 TYR HB2 . . 4.400 2.895 2.793 2.996 . 0 0 "[ . 1 .]" 1
658 1 68 TYR H 1 86 LEU H . . 5.200 4.925 4.849 5.018 . 0 0 "[ . 1 .]" 1
659 1 68 TYR H 1 85 LYS HA . . 5.200 4.668 4.541 4.866 . 0 0 "[ . 1 .]" 1
660 1 59 LEU HA 1 68 TYR H . . 5.200 5.175 4.954 5.275 0.075 12 0 "[ . 1 .]" 1
661 1 61 GLY HA2 1 68 TYR H . . 6.200 4.889 4.248 5.672 . 0 0 "[ . 1 .]" 1
662 1 61 GLY HA3 1 68 TYR H . . 6.200 4.607 4.100 5.068 . 0 0 "[ . 1 .]" 1
663 1 68 TYR HA 1 69 ARG H . . 2.400 2.211 2.137 2.278 . 0 0 "[ . 1 .]" 1
664 1 68 TYR H 1 69 ARG H . . 4.800 4.046 3.870 4.236 . 0 0 "[ . 1 .]" 1
665 1 68 TYR HB3 1 69 ARG H . . 4.800 4.195 3.990 4.359 . 0 0 "[ . 1 .]" 1
666 1 68 TYR HB2 1 69 ARG H . . 4.800 4.473 4.320 4.591 . 0 0 "[ . 1 .]" 1
667 1 69 ARG H 1 69 ARG HA . . 3.000 2.925 2.899 2.947 . 0 0 "[ . 1 .]" 1
668 1 69 ARG H 1 69 ARG QG . . 5.000 3.262 2.176 4.140 . 0 0 "[ . 1 .]" 1
669 1 69 ARG H 1 69 ARG QD . . 5.800 4.501 4.174 5.063 . 0 0 "[ . 1 .]" 1
670 1 69 ARG H 1 84 VAL H . . 4.000 3.234 2.770 3.652 . 0 0 "[ . 1 .]" 1
671 1 69 ARG H 1 85 LYS H . . 5.200 4.747 4.477 4.864 . 0 0 "[ . 1 .]" 1
672 1 69 ARG H 1 86 LEU H . . 5.200 4.958 4.639 5.252 0.052 2 0 "[ . 1 .]" 1
673 1 69 ARG H 1 85 LYS HA . . 4.200 3.281 2.912 3.678 . 0 0 "[ . 1 .]" 1
674 1 69 ARG H 1 84 VAL HA . . 5.200 4.716 4.550 4.895 . 0 0 "[ . 1 .]" 1
675 1 69 ARG H 1 83 HIS HA . . 5.200 4.752 4.368 5.150 . 0 0 "[ . 1 .]" 1
676 1 69 ARG HA 1 70 LYS H . . 2.400 2.105 1.940 2.238 . 0 0 "[ . 1 .]" 1
677 1 69 ARG H 1 70 LYS H . . 4.800 4.250 4.082 4.388 . 0 0 "[ . 1 .]" 1
678 1 69 ARG QB 1 70 LYS H . . 5.000 3.411 2.794 3.940 . 0 0 "[ . 1 .]" 1
679 1 69 ARG QG 1 70 LYS H . . 5.800 3.663 2.711 4.466 . 0 0 "[ . 1 .]" 1
680 1 70 LYS H 1 70 LYS HA . . 3.000 2.928 2.876 2.964 . 0 0 "[ . 1 .]" 1
681 1 70 LYS H 1 84 VAL H . . 5.400 4.769 4.672 4.867 . 0 0 "[ . 1 .]" 1
682 1 70 LYS H 1 83 HIS HA . . 5.000 4.822 4.652 5.003 0.003 12 0 "[ . 1 .]" 1
683 1 57 GLU HA 1 70 LYS H . . 5.200 4.860 4.663 4.959 . 0 0 "[ . 1 .]" 1
684 1 56 VAL MG1 1 70 LYS H . . 6.800 6.251 5.768 6.812 0.012 13 0 "[ . 1 .]" 1
685 1 56 VAL MG2 1 70 LYS H . . 6.800 4.009 3.349 4.649 . 0 0 "[ . 1 .]" 1
686 1 70 LYS HA 1 71 TYR H . . 2.400 2.158 1.943 2.248 . 0 0 "[ . 1 .]" 1
687 1 70 LYS H 1 71 TYR H . . 4.800 4.272 4.134 4.460 . 0 0 "[ . 1 .]" 1
688 1 70 LYS QB 1 71 TYR H . . 5.400 3.668 3.162 3.948 . 0 0 "[ . 1 .]" 1
689 1 70 LYS QG 1 71 TYR H . . 5.400 3.208 2.495 4.605 . 0 0 "[ . 1 .]" 1
690 1 71 TYR H 1 71 TYR HA . . 3.000 2.927 2.907 2.944 . 0 0 "[ . 1 .]" 1
691 1 71 TYR H 1 71 TYR HB2 . . 3.600 2.414 2.307 2.508 . 0 0 "[ . 1 .]" 1
692 1 71 TYR H 1 71 TYR HB3 . . 3.600 3.624 3.573 3.676 0.076 12 0 "[ . 1 .]" 1
693 1 71 TYR H 1 82 VAL H . . 3.600 2.915 2.670 3.237 . 0 0 "[ . 1 .]" 1
694 1 71 TYR H 1 83 HIS H . . 5.400 4.758 4.577 4.866 . 0 0 "[ . 1 .]" 1
695 1 71 TYR H 1 84 VAL H . . 5.400 4.262 3.827 4.882 . 0 0 "[ . 1 .]" 1
696 1 71 TYR H 1 83 HIS HA . . 4.200 3.516 3.348 3.663 . 0 0 "[ . 1 .]" 1
697 1 71 TYR H 1 82 VAL HA . . 5.200 4.653 4.497 4.837 . 0 0 "[ . 1 .]" 1
698 1 71 TYR H 1 81 ILE HA . . 5.200 4.732 4.410 5.090 . 0 0 "[ . 1 .]" 1
699 1 56 VAL HA 1 71 TYR H . . 5.200 4.806 4.627 4.906 . 0 0 "[ . 1 .]" 1
700 1 48 ILE MD 1 71 TYR H . . 7.400 5.599 4.779 6.288 . 0 0 "[ . 1 .]" 1
701 1 71 TYR HA 1 72 THR H . . 2.400 2.172 2.129 2.215 . 0 0 "[ . 1 .]" 1
702 1 71 TYR H 1 72 THR H . . 4.800 4.264 4.110 4.392 . 0 0 "[ . 1 .]" 1
703 1 71 TYR HB2 1 72 THR H . . 4.400 4.194 4.022 4.395 . 0 0 "[ . 1 .]" 1
704 1 71 TYR HB3 1 72 THR H . . 4.400 3.380 3.063 3.726 . 0 0 "[ . 1 .]" 1
705 1 72 THR H 1 72 THR HA . . 3.000 2.920 2.896 2.942 . 0 0 "[ . 1 .]" 1
706 1 72 THR H 1 72 THR HB . . 3.000 2.552 2.447 2.653 . 0 0 "[ . 1 .]" 1
707 1 56 VAL HA 1 72 THR H . . 3.600 3.446 3.201 3.634 0.034 8 0 "[ . 1 .]" 1
708 1 55 SER HA 1 72 THR H . . 5.200 4.677 4.467 4.895 . 0 0 "[ . 1 .]" 1
709 1 54 ALA HA 1 72 THR H . . 5.200 4.493 4.039 5.047 . 0 0 "[ . 1 .]" 1
710 1 72 THR H 1 82 VAL H . . 5.000 4.824 4.689 4.873 . 0 0 "[ . 1 .]" 1
711 1 72 THR H 1 81 ILE HA . . 5.000 4.869 4.646 5.079 0.079 8 0 "[ . 1 .]" 1
712 1 55 SER HB2 1 72 THR H . . 5.800 3.479 2.665 4.683 . 0 0 "[ . 1 .]" 1
713 1 55 SER HB3 1 72 THR H . . 5.800 4.353 2.958 5.159 . 0 0 "[ . 1 .]" 1
714 1 72 THR HA 1 73 LEU H . . 2.400 2.185 2.136 2.260 . 0 0 "[ . 1 .]" 1
715 1 72 THR H 1 73 LEU H . . 4.800 4.336 4.219 4.415 . 0 0 "[ . 1 .]" 1
716 1 72 THR HB 1 73 LEU H . . 5.000 4.247 4.120 4.324 . 0 0 "[ . 1 .]" 1
717 1 72 THR MG 1 73 LEU H . . 6.800 2.988 2.795 3.188 . 0 0 "[ . 1 .]" 1
718 1 73 LEU H 1 73 LEU HA . . 3.000 2.929 2.909 2.952 . 0 0 "[ . 1 .]" 1
719 1 73 LEU H 1 80 GLY H . . 3.600 3.200 3.060 3.360 . 0 0 "[ . 1 .]" 1
720 1 73 LEU H 1 81 ILE H . . 5.200 4.655 4.509 4.743 . 0 0 "[ . 1 .]" 1
721 1 73 LEU H 1 82 VAL H . . 5.200 4.265 3.858 4.562 . 0 0 "[ . 1 .]" 1
722 1 73 LEU H 1 81 ILE HA . . 3.600 2.806 2.553 3.089 . 0 0 "[ . 1 .]" 1
723 1 73 LEU H 1 80 GLY HA2 . . 5.400 4.761 4.618 4.871 . 0 0 "[ . 1 .]" 1
724 1 73 LEU H 1 79 LYS HA . . 5.200 4.953 4.790 5.145 . 0 0 "[ . 1 .]" 1
725 1 54 ALA HA 1 73 LEU H . . 5.200 4.859 4.623 5.187 . 0 0 "[ . 1 .]" 1
726 1 73 LEU HA 1 74 GLU H . . 2.400 2.099 2.047 2.148 . 0 0 "[ . 1 .]" 1
727 1 73 LEU H 1 74 GLU H . . 4.800 4.395 4.310 4.458 . 0 0 "[ . 1 .]" 1
728 1 73 LEU QB 1 74 GLU H . . 5.000 2.882 2.526 3.160 . 0 0 "[ . 1 .]" 1
729 1 73 LEU HG 1 74 GLU H . . 5.000 4.893 4.425 5.020 0.020 2 0 "[ . 1 .]" 1
730 1 73 LEU MD1 1 74 GLU H . . 6.800 3.355 2.586 4.840 . 0 0 "[ . 1 .]" 1
731 1 73 LEU MD2 1 74 GLU H . . 6.800 4.546 4.000 4.925 . 0 0 "[ . 1 .]" 1
732 1 74 GLU H 1 74 GLU HA . . 3.000 2.911 2.869 2.958 . 0 0 "[ . 1 .]" 1
733 1 54 ALA HA 1 74 GLU H . . 3.600 3.533 3.184 3.675 0.075 13 0 "[ . 1 .]" 1
734 1 53 ASN HA 1 74 GLU H . . 5.400 4.868 4.700 5.063 . 0 0 "[ . 1 .]" 1
735 1 52 PHE HA 1 74 GLU H . . 6.000 5.595 5.100 6.003 0.003 3 0 "[ . 1 .]" 1
736 1 52 PHE HB2 1 74 GLU H . . 5.200 4.977 4.625 5.255 0.055 3 0 "[ . 1 .]" 1
737 1 52 PHE HB3 1 74 GLU H . . 5.200 3.774 3.285 4.207 . 0 0 "[ . 1 .]" 1
738 1 74 GLU H 1 79 LYS HA . . 5.400 4.643 4.469 4.893 . 0 0 "[ . 1 .]" 1
739 1 74 GLU HA 1 75 LYS H . . 2.400 2.081 1.981 2.250 . 0 0 "[ . 1 .]" 1
740 1 74 GLU H 1 75 LYS H . . 4.800 3.806 3.321 4.182 . 0 0 "[ . 1 .]" 1
741 1 74 GLU HB3 1 75 LYS H . . 4.800 3.843 2.444 4.436 . 0 0 "[ . 1 .]" 1
742 1 74 GLU HB2 1 75 LYS H . . 4.800 4.294 3.724 4.637 . 0 0 "[ . 1 .]" 1
743 1 74 GLU QG 1 75 LYS H . . 5.800 3.682 2.441 4.443 . 0 0 "[ . 1 .]" 1
744 1 75 LYS H 1 75 LYS HA . . 3.000 2.907 2.811 2.941 . 0 0 "[ . 1 .]" 1
745 1 75 LYS H 1 78 LYS H . . 3.400 3.197 2.829 3.430 0.030 2 0 "[ . 1 .]" 1
746 1 75 LYS H 1 79 LYS H . . 5.200 4.822 4.575 5.073 . 0 0 "[ . 1 .]" 1
747 1 75 LYS H 1 80 GLY H . . 5.200 5.102 4.786 5.264 0.064 11 0 "[ . 1 .]" 1
748 1 75 LYS H 1 78 LYS HA . . 5.400 4.714 4.533 4.921 . 0 0 "[ . 1 .]" 1
749 1 75 LYS H 1 77 GLY HA2 . . 6.200 5.878 5.272 6.218 0.018 4 0 "[ . 1 .]" 1
750 1 53 ASN HB2 1 75 LYS H . . 5.800 5.823 5.597 5.889 0.089 7 0 "[ . 1 .]" 1
751 1 53 ASN HB3 1 75 LYS H . . 5.800 4.785 4.484 5.125 . 0 0 "[ . 1 .]" 1
752 1 75 LYS HA 1 76 GLU H . . 2.600 2.365 2.122 2.674 0.074 1 0 "[ . 1 .]" 1
753 1 75 LYS H 1 76 GLU H . . 4.800 3.933 3.457 4.376 . 0 0 "[ . 1 .]" 1
754 1 75 LYS QB 1 76 GLU H . . 5.800 3.597 2.755 3.993 . 0 0 "[ . 1 .]" 1
755 1 76 GLU H 1 76 GLU HA . . 2.800 2.446 2.209 2.781 . 0 0 "[ . 1 .]" 1
756 1 76 GLU H 1 76 GLU HB3 . . 4.400 3.072 2.523 4.032 . 0 0 "[ . 1 .]" 1
757 1 76 GLU H 1 76 GLU HB2 . . 4.400 3.492 2.810 3.982 . 0 0 "[ . 1 .]" 1
758 1 76 GLU HA 1 77 GLY H . . 2.800 2.306 2.032 2.823 0.023 8 0 "[ . 1 .]" 1
759 1 76 GLU H 1 77 GLY H . . 4.400 3.559 2.757 4.252 . 0 0 "[ . 1 .]" 1
760 1 76 GLU HB3 1 77 GLY H . . 4.800 4.426 4.205 4.650 . 0 0 "[ . 1 .]" 1
761 1 76 GLU HB2 1 77 GLY H . . 4.800 4.221 3.871 4.660 . 0 0 "[ . 1 .]" 1
762 1 76 GLU QG 1 77 GLY H . . 5.800 4.391 3.794 4.925 . 0 0 "[ . 1 .]" 1
763 1 77 GLY H 1 77 GLY HA2 . . 3.000 2.352 2.309 2.411 . 0 0 "[ . 1 .]" 1
764 1 77 GLY H 1 77 GLY HA3 . . 3.000 2.914 2.843 2.948 . 0 0 "[ . 1 .]" 1
765 1 74 GLU HA 1 77 GLY H . . 5.800 5.118 4.288 5.861 0.061 1 0 "[ . 1 .]" 1
766 1 75 LYS HA 1 77 GLY H . . 5.400 4.934 4.114 5.314 . 0 0 "[ . 1 .]" 1
767 1 77 GLY HA2 1 78 LYS H . . 3.600 3.305 3.052 3.499 . 0 0 "[ . 1 .]" 1
768 1 77 GLY HA3 1 78 LYS H . . 3.400 3.211 2.996 3.432 0.032 13 0 "[ . 1 .]" 1
769 1 77 GLY H 1 78 LYS H . . 3.000 2.571 2.315 2.913 . 0 0 "[ . 1 .]" 1
770 1 78 LYS H 1 78 LYS HA . . 3.000 2.917 2.898 2.942 . 0 0 "[ . 1 .]" 1
771 1 78 LYS H 1 78 LYS HB3 . . 4.400 3.688 3.432 3.854 . 0 0 "[ . 1 .]" 1
772 1 78 LYS H 1 78 LYS HB2 . . 4.400 2.560 2.200 2.992 . 0 0 "[ . 1 .]" 1
773 1 74 GLU HA 1 78 LYS H . . 4.400 4.431 4.278 4.504 0.104 5 0 "[ . 1 .]" 1
774 1 75 LYS HA 1 78 LYS H . . 6.000 4.655 4.519 4.864 . 0 0 "[ . 1 .]" 1
775 1 76 GLU QG 1 78 LYS H . . 5.400 4.694 3.330 5.449 0.049 13 0 "[ . 1 .]" 1
776 1 78 LYS HA 1 79 LYS H . . 2.400 2.215 2.107 2.380 . 0 0 "[ . 1 .]" 1
777 1 78 LYS H 1 79 LYS H . . 4.800 4.267 3.960 4.498 . 0 0 "[ . 1 .]" 1
778 1 78 LYS QB 1 79 LYS H . . 5.800 3.235 2.583 3.641 . 0 0 "[ . 1 .]" 1
779 1 79 LYS H 1 79 LYS HA . . 3.000 2.904 2.862 2.940 . 0 0 "[ . 1 .]" 1
780 1 79 LYS H 1 79 LYS HB3 . . 4.400 3.255 2.789 3.647 . 0 0 "[ . 1 .]" 1
781 1 79 LYS H 1 79 LYS HB2 . . 4.400 3.566 2.413 3.855 . 0 0 "[ . 1 .]" 1
782 1 12 PHE QD 1 79 LYS H . . 7.200 6.162 5.632 6.498 . 0 0 "[ . 1 .]" 1
783 1 12 PHE QE 1 79 LYS H . . 7.200 5.603 4.709 7.288 0.088 8 0 "[ . 1 .]" 1
784 1 79 LYS HA 1 80 GLY H . . 2.400 2.228 2.149 2.309 . 0 0 "[ . 1 .]" 1
785 1 79 LYS H 1 80 GLY H . . 4.800 4.346 4.192 4.500 . 0 0 "[ . 1 .]" 1
786 1 79 LYS QB 1 80 GLY H . . 5.400 2.971 2.562 3.598 . 0 0 "[ . 1 .]" 1
787 1 79 LYS QG 1 80 GLY H . . 5.800 3.973 2.422 4.474 . 0 0 "[ . 1 .]" 1
788 1 80 GLY H 1 80 GLY HA2 . . 3.000 2.827 2.739 2.894 . 0 0 "[ . 1 .]" 1
789 1 80 GLY H 1 80 GLY HA3 . . 3.000 2.768 2.688 2.837 . 0 0 "[ . 1 .]" 1
790 1 12 PHE QD 1 80 GLY H . . 7.400 4.217 3.456 5.574 . 0 0 "[ . 1 .]" 1
791 1 12 PHE QE 1 80 GLY H . . 7.400 3.578 2.486 5.316 . 0 0 "[ . 1 .]" 1
792 1 73 LEU MD1 1 80 GLY H . . 7.000 5.243 4.280 5.598 . 0 0 "[ . 1 .]" 1
793 1 73 LEU MD2 1 80 GLY H . . 7.000 4.510 3.875 5.076 . 0 0 "[ . 1 .]" 1
794 1 80 GLY HA2 1 81 ILE H . . 2.400 2.429 2.337 2.481 0.081 7 0 "[ . 1 .]" 1
795 1 80 GLY HA3 1 81 ILE H . . 3.000 2.618 2.501 2.874 . 0 0 "[ . 1 .]" 1
796 1 80 GLY H 1 81 ILE H . . 4.800 4.323 4.259 4.377 . 0 0 "[ . 1 .]" 1
797 1 81 ILE H 1 81 ILE HA . . 3.000 2.933 2.887 2.967 . 0 0 "[ . 1 .]" 1
798 1 81 ILE H 1 81 ILE HB . . 3.000 2.776 2.524 3.046 0.046 6 0 "[ . 1 .]" 1
799 1 72 THR HA 1 81 ILE H . . 5.200 5.068 4.804 5.208 0.008 8 0 "[ . 1 .]" 1
800 1 10 GLU HA 1 81 ILE H . . 5.200 4.744 4.561 4.958 . 0 0 "[ . 1 .]" 1
801 1 81 ILE HA 1 82 VAL H . . 2.400 2.237 2.141 2.317 . 0 0 "[ . 1 .]" 1
802 1 81 ILE H 1 82 VAL H . . 4.800 4.334 4.233 4.450 . 0 0 "[ . 1 .]" 1
803 1 81 ILE HB 1 82 VAL H . . 5.000 3.921 3.693 4.266 . 0 0 "[ . 1 .]" 1
804 1 82 VAL H 1 82 VAL HA . . 3.000 2.929 2.922 2.939 . 0 0 "[ . 1 .]" 1
805 1 82 VAL H 1 82 VAL HB . . 3.000 2.678 2.533 2.805 . 0 0 "[ . 1 .]" 1
806 1 71 TYR HA 1 82 VAL H . . 5.400 4.619 4.347 4.785 . 0 0 "[ . 1 .]" 1
807 1 9 PRO HA 1 82 VAL H . . 5.800 4.884 4.650 5.279 . 0 0 "[ . 1 .]" 1
808 1 82 VAL HA 1 83 HIS H . . 2.400 2.093 2.046 2.143 . 0 0 "[ . 1 .]" 1
809 1 82 VAL H 1 83 HIS H . . 4.800 4.087 3.949 4.213 . 0 0 "[ . 1 .]" 1
810 1 82 VAL HB 1 83 HIS H . . 4.400 4.343 4.192 4.404 0.004 5 0 "[ . 1 .]" 1
811 1 82 VAL MG1 1 83 HIS H . . 5.800 3.002 2.693 3.148 . 0 0 "[ . 1 .]" 1
812 1 82 VAL MG2 1 83 HIS H . . 6.800 4.049 3.926 4.238 . 0 0 "[ . 1 .]" 1
813 1 83 HIS H 1 83 HIS HA . . 3.000 2.935 2.889 2.984 . 0 0 "[ . 1 .]" 1
814 1 83 HIS H 1 83 HIS HB2 . . 4.400 2.455 2.292 2.616 . 0 0 "[ . 1 .]" 1
815 1 83 HIS H 1 83 HIS HB3 . . 4.400 3.634 3.513 3.721 . 0 0 "[ . 1 .]" 1
816 1 83 HIS H 1 83 HIS HD2 . . 4.000 3.279 2.330 4.153 0.153 14 0 "[ . 1 .]" 1
817 1 9 PRO HA 1 83 HIS H . . 3.600 3.513 3.231 3.645 0.045 10 0 "[ . 1 .]" 1
818 1 8 ILE HA 1 83 HIS H . . 5.200 4.797 4.511 5.018 . 0 0 "[ . 1 .]" 1
819 1 7 ILE HA 1 83 HIS H . . 5.200 4.796 4.437 5.149 . 0 0 "[ . 1 .]" 1
820 1 83 HIS HA 1 84 VAL H . . 2.400 2.189 2.121 2.266 . 0 0 "[ . 1 .]" 1
821 1 83 HIS H 1 84 VAL H . . 4.800 4.234 4.174 4.437 . 0 0 "[ . 1 .]" 1
822 1 83 HIS HB2 1 84 VAL H . . 4.400 4.364 4.189 4.426 0.026 13 0 "[ . 1 .]" 1
823 1 83 HIS HB3 1 84 VAL H . . 4.400 3.691 3.277 3.832 . 0 0 "[ . 1 .]" 1
824 1 84 VAL H 1 84 VAL HA . . 3.000 2.943 2.924 2.960 . 0 0 "[ . 1 .]" 1
825 1 84 VAL H 1 84 VAL HB . . 3.000 2.618 2.524 2.764 . 0 0 "[ . 1 .]" 1
826 1 71 TYR QE 1 84 VAL H . . 7.200 4.161 3.744 4.500 . 0 0 "[ . 1 .]" 1
827 1 71 TYR QD 1 84 VAL H . . 7.200 3.665 3.376 4.162 . 0 0 "[ . 1 .]" 1
828 1 68 TYR QE 1 84 VAL H . . 7.400 4.159 3.834 4.396 . 0 0 "[ . 1 .]" 1
829 1 68 TYR QD 1 84 VAL H . . 7.400 4.148 3.846 4.339 . 0 0 "[ . 1 .]" 1
830 1 70 LYS HA 1 84 VAL H . . 4.000 3.223 2.869 3.625 . 0 0 "[ . 1 .]" 1
831 1 69 ARG HA 1 84 VAL H . . 5.200 4.790 4.502 4.969 . 0 0 "[ . 1 .]" 1
832 1 68 TYR HA 1 84 VAL H . . 5.200 4.789 4.536 5.045 . 0 0 "[ . 1 .]" 1
833 1 7 ILE HA 1 84 VAL H . . 5.200 4.689 4.516 4.788 . 0 0 "[ . 1 .]" 1
834 1 84 VAL HA 1 85 LYS H . . 2.400 2.181 2.126 2.260 . 0 0 "[ . 1 .]" 1
835 1 84 VAL H 1 85 LYS H . . 4.800 4.238 4.085 4.298 . 0 0 "[ . 1 .]" 1
836 1 84 VAL HB 1 85 LYS H . . 4.400 4.276 4.207 4.351 . 0 0 "[ . 1 .]" 1
837 1 84 VAL MG1 1 85 LYS H . . 6.000 3.058 2.917 3.165 . 0 0 "[ . 1 .]" 1
838 1 84 VAL MG2 1 85 LYS H . . 6.800 4.257 4.162 4.355 . 0 0 "[ . 1 .]" 1
839 1 85 LYS H 1 85 LYS HA . . 3.000 2.931 2.915 2.964 . 0 0 "[ . 1 .]" 1
840 1 7 ILE HA 1 85 LYS H . . 3.400 3.228 2.978 3.433 0.033 5 0 "[ . 1 .]" 1
841 1 6 VAL HA 1 85 LYS H . . 5.200 4.937 4.839 5.104 . 0 0 "[ . 1 .]" 1
842 1 5 VAL HA 1 85 LYS H . . 5.200 4.839 4.670 5.053 . 0 0 "[ . 1 .]" 1
843 1 68 TYR HA 1 85 LYS H . . 5.200 4.615 4.465 4.757 . 0 0 "[ . 1 .]" 1
844 1 85 LYS HA 1 86 LEU H . . 2.400 2.217 2.161 2.268 . 0 0 "[ . 1 .]" 1
845 1 85 LYS H 1 86 LEU H . . 4.800 4.419 4.323 4.489 . 0 0 "[ . 1 .]" 1
846 1 85 LYS QB 1 86 LEU H . . 5.400 2.947 2.587 3.972 . 0 0 "[ . 1 .]" 1
847 1 86 LEU H 1 86 LEU HA . . 3.000 2.948 2.937 2.959 . 0 0 "[ . 1 .]" 1
848 1 68 TYR HA 1 86 LEU H . . 4.200 3.579 3.496 3.680 . 0 0 "[ . 1 .]" 1
849 1 67 LEU HA 1 86 LEU H . . 5.200 4.685 4.543 4.900 . 0 0 "[ . 1 .]" 1
850 1 66 VAL HA 1 86 LEU H . . 5.800 5.951 5.881 5.988 0.188 9 0 "[ . 1 .]" 1
851 1 5 VAL HA 1 86 LEU H . . 5.000 4.997 4.814 5.080 0.080 2 0 "[ . 1 .]" 1
852 1 68 TYR HB2 1 86 LEU H . . 6.000 4.808 4.708 4.971 . 0 0 "[ . 1 .]" 1
853 1 68 TYR HB3 1 86 LEU H . . 6.000 6.044 6.028 6.073 0.073 5 0 "[ . 1 .]" 1
854 1 65 ASP HB2 1 86 LEU H . . 6.000 5.384 5.040 5.829 . 0 0 "[ . 1 .]" 1
855 1 65 ASP HB3 1 86 LEU H . . 6.000 3.776 3.320 4.909 . 0 0 "[ . 1 .]" 1
856 1 86 LEU HA 1 87 ARG H . . 2.400 2.172 2.098 2.246 . 0 0 "[ . 1 .]" 1
857 1 86 LEU H 1 87 ARG H . . 4.800 4.216 4.114 4.383 . 0 0 "[ . 1 .]" 1
858 1 86 LEU QB 1 87 ARG H . . 5.400 3.394 3.212 3.527 . 0 0 "[ . 1 .]" 1
859 1 86 LEU QD 1 87 ARG H . . 6.800 3.838 3.522 4.512 . 0 0 "[ . 1 .]" 1
860 1 87 ARG H 1 87 ARG HA . . 3.000 2.912 2.883 2.934 . 0 0 "[ . 1 .]" 1
861 1 87 ARG H 1 87 ARG HD2 . . 5.000 4.733 4.010 5.031 0.031 6 0 "[ . 1 .]" 1
862 1 87 ARG H 1 87 ARG HD3 . . 5.000 4.689 4.270 5.048 0.048 1 0 "[ . 1 .]" 1
863 1 5 VAL HA 1 87 ARG H . . 4.000 3.008 2.612 3.411 . 0 0 "[ . 1 .]" 1
864 1 4 ASP HA 1 87 ARG H . . 5.000 4.817 4.622 4.963 . 0 0 "[ . 1 .]" 1
865 1 3 TYR HA 1 87 ARG H . . 5.000 4.900 4.664 5.041 0.041 14 0 "[ . 1 .]" 1
866 1 87 ARG HA 1 88 LYS H . . 2.400 2.137 2.060 2.285 . 0 0 "[ . 1 .]" 1
867 1 87 ARG H 1 88 LYS H . . 4.800 4.386 4.271 4.441 . 0 0 "[ . 1 .]" 1
868 1 87 ARG QB 1 88 LYS H . . 5.400 3.079 2.401 3.832 . 0 0 "[ . 1 .]" 1
869 1 88 LYS H 1 88 LYS HA . . 3.000 2.895 2.856 2.920 . 0 0 "[ . 1 .]" 1
870 1 65 ASP HA 1 88 LYS H . . 3.600 3.137 2.874 3.548 . 0 0 "[ . 1 .]" 1
871 1 64 CYS HA 1 88 LYS H . . 5.000 4.235 3.683 5.004 0.004 13 0 "[ . 1 .]" 1
872 1 3 TYR HA 1 88 LYS H . . 5.400 5.038 4.747 5.229 . 0 0 "[ . 1 .]" 1
873 1 65 ASP HB2 1 88 LYS H . . 6.000 5.965 5.806 6.134 0.134 13 0 "[ . 1 .]" 1
874 1 65 ASP HB3 1 88 LYS H . . 6.000 5.568 5.286 6.008 0.008 2 0 "[ . 1 .]" 1
875 1 88 LYS HA 1 89 ILE H . . 2.400 2.203 2.075 2.280 . 0 0 "[ . 1 .]" 1
876 1 88 LYS H 1 89 ILE H . . 4.800 4.271 4.128 4.415 . 0 0 "[ . 1 .]" 1
877 1 88 LYS QB 1 89 ILE H . . 5.400 3.800 3.443 4.028 . 0 0 "[ . 1 .]" 1
878 1 89 ILE H 1 89 ILE HA . . 3.000 2.861 2.817 2.904 . 0 0 "[ . 1 .]" 1
879 1 89 ILE H 1 89 ILE HB . . 3.000 2.900 2.725 3.019 0.019 15 0 "[ . 1 .]" 1
880 1 3 TYR HA 1 89 ILE H . . 3.600 2.316 2.124 2.795 . 0 0 "[ . 1 .]" 1
881 1 2 LYS HA 1 89 ILE H . . 5.800 5.548 5.192 5.822 0.022 5 0 "[ . 1 .]" 1
882 1 89 ILE HA 1 90 THR H . . 2.400 2.037 1.964 2.123 . 0 0 "[ . 1 .]" 1
883 1 89 ILE H 1 90 THR H . . 4.800 4.332 4.222 4.406 . 0 0 "[ . 1 .]" 1
884 1 89 ILE HB 1 90 THR H . . 5.000 4.181 4.083 4.270 . 0 0 "[ . 1 .]" 1
885 1 89 ILE MG 1 90 THR H . . 6.800 4.221 4.123 4.308 . 0 0 "[ . 1 .]" 1
886 1 90 THR H 1 90 THR HA . . 2.800 2.873 2.848 2.902 0.102 11 0 "[ . 1 .]" 1
887 1 90 THR H 1 93 CYS H . . 4.000 2.874 2.576 3.204 . 0 0 "[ . 1 .]" 1
888 1 90 THR H 1 93 CYS HA . . 5.200 4.581 4.356 4.786 . 0 0 "[ . 1 .]" 1
889 1 90 THR H 1 93 CYS HB2 . . 4.200 3.124 2.076 4.241 0.041 8 0 "[ . 1 .]" 1
890 1 90 THR H 1 93 CYS HB3 . . 4.200 3.383 2.014 4.238 0.038 14 0 "[ . 1 .]" 1
891 1 90 THR H 1 94 PRO HD2 . . 6.000 5.900 5.630 6.046 0.046 12 0 "[ . 1 .]" 1
892 1 90 THR H 1 94 PRO HD3 . . 6.000 5.756 5.186 6.107 0.107 7 0 "[ . 1 .]" 1
893 1 90 THR HA 1 91 GLU H . . 3.400 2.699 2.454 2.820 . 0 0 "[ . 1 .]" 1
894 1 90 THR H 1 91 GLU H . . 4.800 4.263 4.196 4.336 . 0 0 "[ . 1 .]" 1
895 1 91 GLU H 1 91 GLU HA . . 3.000 2.853 2.783 2.878 . 0 0 "[ . 1 .]" 1
896 1 91 GLU HA 1 92 ASN H . . 3.200 3.260 3.199 3.320 0.120 14 0 "[ . 1 .]" 1
897 1 91 GLU H 1 92 ASN H . . 4.800 2.376 2.143 2.622 . 0 0 "[ . 1 .]" 1
898 1 91 GLU QB 1 92 ASN H . . 5.400 3.228 2.889 3.808 . 0 0 "[ . 1 .]" 1
899 1 91 GLU QG 1 92 ASN H . . 5.800 3.968 2.965 4.648 . 0 0 "[ . 1 .]" 1
900 1 92 ASN H 1 92 ASN HA . . 3.000 2.926 2.893 2.949 . 0 0 "[ . 1 .]" 1
901 1 92 ASN H 1 92 ASN HB3 . . 4.400 3.275 2.466 3.755 . 0 0 "[ . 1 .]" 1
902 1 92 ASN H 1 92 ASN HB2 . . 4.400 2.674 2.439 3.763 . 0 0 "[ . 1 .]" 1
903 1 92 ASN HA 1 93 CYS H . . 3.600 3.415 3.141 3.555 . 0 0 "[ . 1 .]" 1
904 1 92 ASN H 1 93 CYS H . . 2.800 2.296 2.041 2.578 . 0 0 "[ . 1 .]" 1
905 1 92 ASN HB3 1 93 CYS H . . 4.800 3.664 2.655 4.476 . 0 0 "[ . 1 .]" 1
906 1 92 ASN HB2 1 93 CYS H . . 4.800 3.531 2.659 4.483 . 0 0 "[ . 1 .]" 1
907 1 93 CYS H 1 93 CYS HA . . 2.800 2.872 2.834 2.892 0.092 1 0 "[ . 1 .]" 1
908 1 93 CYS H 1 93 CYS HB2 . . 4.400 2.801 2.485 3.409 . 0 0 "[ . 1 .]" 1
909 1 93 CYS H 1 93 CYS HB3 . . 4.400 3.396 2.435 3.829 . 0 0 "[ . 1 .]" 1
910 1 90 THR HB 1 93 CYS H . . 5.400 3.509 2.006 5.111 . 0 0 "[ . 1 .]" 1
911 1 90 THR MG 1 93 CYS H . . 6.800 3.934 2.470 4.814 . 0 0 "[ . 1 .]" 1
912 1 91 GLU HA 1 93 CYS H . . 4.400 3.992 3.458 4.407 0.007 12 0 "[ . 1 .]" 1
913 1 91 GLU QB 1 93 CYS H . . 6.400 4.885 4.500 5.416 . 0 0 "[ . 1 .]" 1
914 1 91 GLU QG 1 93 CYS H . . 6.400 5.464 5.089 6.270 . 0 0 "[ . 1 .]" 1
915 1 93 CYS H 1 94 PRO HD2 . . 5.400 4.755 4.437 5.333 . 0 0 "[ . 1 .]" 1
916 1 93 CYS H 1 94 PRO HD3 . . 5.400 4.060 3.721 4.486 . 0 0 "[ . 1 .]" 1
917 1 94 PRO HA 1 95 PRO HD2 . . 3.000 2.255 2.030 2.496 . 0 0 "[ . 1 .]" 1
918 1 94 PRO HA 1 95 PRO HD3 . . 3.000 2.439 2.073 2.615 . 0 0 "[ . 1 .]" 1
919 1 95 PRO HA 1 96 VAL H . . 2.400 2.251 2.048 2.374 . 0 0 "[ . 1 .]" 1
920 1 95 PRO HD2 1 96 VAL H . . 5.800 5.582 5.335 5.719 . 0 0 "[ . 1 .]" 1
921 1 95 PRO HD3 1 96 VAL H . . 5.400 5.449 5.415 5.481 0.081 8 0 "[ . 1 .]" 1
922 1 95 PRO HB2 1 96 VAL H . . 5.000 2.963 2.606 3.914 . 0 0 "[ . 1 .]" 1
923 1 95 PRO HB3 1 96 VAL H . . 5.000 3.614 3.402 3.972 . 0 0 "[ . 1 .]" 1
924 1 96 VAL H 1 96 VAL HA . . 3.000 2.930 2.901 2.955 . 0 0 "[ . 1 .]" 1
925 1 96 VAL H 1 96 VAL HB . . 3.200 2.701 2.614 2.805 . 0 0 "[ . 1 .]" 1
926 1 96 VAL HA 1 97 ASP H . . 2.400 2.317 2.179 2.404 0.004 13 0 "[ . 1 .]" 1
927 1 96 VAL H 1 97 ASP H . . 4.800 4.508 4.412 4.567 . 0 0 "[ . 1 .]" 1
928 1 96 VAL HB 1 97 ASP H . . 3.400 3.500 3.462 3.529 0.129 5 0 "[ . 1 .]" 1
929 1 96 VAL MG1 1 97 ASP H . . 5.400 1.991 1.886 2.136 . 0 0 "[ . 1 .]" 1
930 1 96 VAL MG2 1 97 ASP H . . 6.800 3.960 3.867 4.095 . 0 0 "[ . 1 .]" 1
931 1 97 ASP H 1 97 ASP HA . . 3.000 2.917 2.887 2.951 . 0 0 "[ . 1 .]" 1
932 1 97 ASP H 1 97 ASP HB2 . . 3.600 2.994 2.368 3.722 0.122 6 0 "[ . 1 .]" 1
933 1 97 ASP H 1 97 ASP HB3 . . 3.600 3.122 2.594 3.681 0.081 11 0 "[ . 1 .]" 1
934 1 97 ASP HA 1 98 GLY H . . 2.400 2.156 1.965 2.376 . 0 0 "[ . 1 .]" 1
935 1 97 ASP H 1 98 GLY H . . 4.800 4.283 3.814 4.514 . 0 0 "[ . 1 .]" 1
936 1 97 ASP HB2 1 98 GLY H . . 4.400 3.880 2.628 4.431 0.031 5 0 "[ . 1 .]" 1
937 1 97 ASP HB3 1 98 GLY H . . 4.400 3.789 2.847 4.293 . 0 0 "[ . 1 .]" 1
938 1 98 GLY H 1 98 GLY HA2 . . 3.000 2.884 2.753 2.994 . 0 0 "[ . 1 .]" 1
939 1 98 GLY H 1 98 GLY HA3 . . 3.000 2.627 2.396 2.769 . 0 0 "[ . 1 .]" 1
940 1 96 VAL MG1 1 98 GLY H . . 6.800 4.491 3.738 5.015 . 0 0 "[ . 1 .]" 1
941 1 29 ILE MD 1 98 GLY H . . 6.800 6.664 5.846 6.908 0.108 8 0 "[ . 1 .]" 1
942 1 98 GLY HA2 1 99 ASN H . . 2.600 2.674 2.629 2.736 0.136 6 0 "[ . 1 .]" 1
943 1 98 GLY HA3 1 99 ASN H . . 3.000 2.284 1.968 2.466 . 0 0 "[ . 1 .]" 1
944 1 98 GLY H 1 99 ASN H . . 4.600 4.137 3.892 4.258 . 0 0 "[ . 1 .]" 1
945 1 99 ASN H 1 99 ASN HA . . 3.000 2.801 2.676 2.884 . 0 0 "[ . 1 .]" 1
946 1 99 ASN H 1 99 ASN HB2 . . 3.600 2.263 1.919 2.465 . 0 0 "[ . 1 .]" 1
947 1 99 ASN H 1 99 ASN HB3 . . 3.600 3.152 2.532 3.636 0.036 11 0 "[ . 1 .]" 1
948 1 99 ASN H 1 99 ASN HD21 . . 5.000 3.426 2.190 4.797 . 0 0 "[ . 1 .]" 1
949 1 99 ASN H 1 99 ASN HD22 . . 5.000 4.591 3.456 5.286 0.286 12 0 "[ . 1 .]" 1
950 1 27 MET HA 1 99 ASN H . . 4.200 2.791 2.391 3.252 . 0 0 "[ . 1 .]" 1
951 1 27 MET QB 1 99 ASN H . . 6.000 4.705 3.836 5.207 . 0 0 "[ . 1 .]" 1
952 1 27 MET QG 1 99 ASN H . . 6.000 4.521 3.589 5.489 . 0 0 "[ . 1 .]" 1
953 1 29 ILE MD 1 99 ASN H . . 6.800 6.462 5.686 6.814 0.014 6 0 "[ . 1 .]" 1
954 1 99 ASN HA 1 100 ARG H . . 2.400 2.169 2.059 2.311 . 0 0 "[ . 1 .]" 1
955 1 99 ASN H 1 100 ARG H . . 4.800 4.350 4.045 4.605 . 0 0 "[ . 1 .]" 1
956 1 99 ASN HB2 1 100 ARG H . . 5.000 4.389 4.104 4.532 . 0 0 "[ . 1 .]" 1
957 1 99 ASN HB3 1 100 ARG H . . 5.000 3.767 3.008 4.316 . 0 0 "[ . 1 .]" 1
958 1 100 ARG H 1 100 ARG HA . . 3.000 2.877 2.846 2.901 . 0 0 "[ . 1 .]" 1
959 1 100 ARG H 1 100 ARG HB3 . . 3.600 3.225 2.336 3.643 0.043 9 0 "[ . 1 .]" 1
960 1 100 ARG H 1 100 ARG HB2 . . 3.600 2.508 2.271 2.771 . 0 0 "[ . 1 .]" 1
961 1 27 MET HA 1 100 ARG H . . 6.000 5.070 4.796 5.645 . 0 0 "[ . 1 .]" 1
962 1 100 ARG HA 1 101 CYS H . . 2.400 2.044 1.973 2.191 . 0 0 "[ . 1 .]" 1
963 1 100 ARG H 1 101 CYS H . . 4.800 4.236 4.020 4.462 . 0 0 "[ . 1 .]" 1
964 1 100 ARG HB3 1 101 CYS H . . 4.800 3.768 3.225 4.371 . 0 0 "[ . 1 .]" 1
965 1 100 ARG HB2 1 101 CYS H . . 4.800 4.312 4.139 4.440 . 0 0 "[ . 1 .]" 1
966 1 101 CYS H 1 101 CYS HA . . 3.000 2.827 2.795 2.887 . 0 0 "[ . 1 .]" 1
967 1 101 CYS H 1 101 CYS HB2 . . 3.000 2.546 2.132 2.892 . 0 0 "[ . 1 .]" 1
968 1 101 CYS H 1 101 CYS HB3 . . 3.000 2.441 2.249 2.931 . 0 0 "[ . 1 .]" 1
969 1 29 ILE HA 1 101 CYS H . . 5.400 4.728 3.893 5.404 0.004 4 0 "[ . 1 .]" 1
970 1 29 ILE MD 1 101 CYS H . . 6.800 2.526 1.789 4.272 . 0 0 "[ . 1 .]" 1
971 1 101 CYS HA 1 102 SER H . . 2.800 2.392 2.274 2.670 . 0 0 "[ . 1 .]" 1
972 1 101 CYS H 1 102 SER H . . 4.800 4.585 4.545 4.644 . 0 0 "[ . 1 .]" 1
973 1 101 CYS HB2 1 102 SER H . . 4.800 3.978 3.704 4.271 . 0 0 "[ . 1 .]" 1
974 1 101 CYS HB3 1 102 SER H . . 4.800 3.771 2.791 4.250 . 0 0 "[ . 1 .]" 1
975 1 102 SER H 1 102 SER HA . . 3.000 2.840 2.772 2.878 . 0 0 "[ . 1 .]" 1
976 1 102 SER H 1 102 SER HB3 . . 4.400 3.366 2.523 3.588 . 0 0 "[ . 1 .]" 1
977 1 102 SER H 1 102 SER HB2 . . 4.400 2.631 2.373 3.530 . 0 0 "[ . 1 .]" 1
978 1 102 SER HA 1 103 VAL H . . 2.400 2.184 2.100 2.317 . 0 0 "[ . 1 .]" 1
979 1 102 SER H 1 103 VAL H . . 4.800 4.128 3.783 4.470 . 0 0 "[ . 1 .]" 1
980 1 102 SER QB 1 103 VAL H . . 5.400 3.665 3.366 4.015 . 0 0 "[ . 1 .]" 1
981 1 103 VAL H 1 103 VAL HA . . 3.000 2.911 2.864 2.953 . 0 0 "[ . 1 .]" 1
982 1 103 VAL H 1 103 VAL HB . . 3.200 2.546 2.415 2.694 . 0 0 "[ . 1 .]" 1
983 1 103 VAL HA 1 104 LEU H . . 2.400 2.086 1.974 2.241 . 0 0 "[ . 1 .]" 1
984 1 103 VAL H 1 104 LEU H . . 4.800 4.384 4.253 4.508 . 0 0 "[ . 1 .]" 1
985 1 103 VAL HB 1 104 LEU H . . 3.600 3.730 3.684 3.793 0.193 1 0 "[ . 1 .]" 1
986 1 103 VAL MG1 1 104 LEU H . . 5.800 2.306 2.141 2.584 . 0 0 "[ . 1 .]" 1
987 1 103 VAL MG2 1 104 LEU H . . 6.800 3.929 3.738 4.107 . 0 0 "[ . 1 .]" 1
988 1 104 LEU H 1 104 LEU HA . . 3.000 2.866 2.775 2.912 . 0 0 "[ . 1 .]" 1
989 1 104 LEU HA 1 105 GLU H . . 3.000 3.187 2.850 3.282 0.282 9 0 "[ . 1 .]" 1
990 1 104 LEU H 1 105 GLU H . . 4.800 2.876 1.930 4.215 . 0 0 "[ . 1 .]" 1
991 1 104 LEU QB 1 105 GLU H . . 5.400 1.964 1.745 2.546 . 0 0 "[ . 1 .]" 1
992 1 104 LEU MD1 1 105 GLU H . . 6.800 3.720 2.959 4.556 . 0 0 "[ . 1 .]" 1
993 1 104 LEU MD2 1 105 GLU H . . 6.800 3.697 2.860 4.543 . 0 0 "[ . 1 .]" 1
994 1 105 GLU H 1 105 GLU HA . . 3.000 2.898 2.760 2.978 . 0 0 "[ . 1 .]" 1
995 1 105 GLU HA 1 106 PHE H . . 2.400 2.389 2.191 2.479 0.079 13 0 "[ . 1 .]" 1
996 1 105 GLU H 1 106 PHE H . . 4.800 4.388 4.232 4.602 . 0 0 "[ . 1 .]" 1
997 1 105 GLU QB 1 106 PHE H . . 5.400 2.581 1.933 3.478 . 0 0 "[ . 1 .]" 1
998 1 105 GLU QG 1 106 PHE H . . 5.800 3.397 1.907 4.071 . 0 0 "[ . 1 .]" 1
999 1 106 PHE H 1 106 PHE HA . . 3.000 2.675 2.627 2.738 . 0 0 "[ . 1 .]" 1
1000 1 106 PHE H 1 106 PHE HB3 . . 4.400 2.657 2.497 2.994 . 0 0 "[ . 1 .]" 1
1001 1 106 PHE H 1 106 PHE HB2 . . 4.400 2.498 2.104 2.618 . 0 0 "[ . 1 .]" 1
1002 1 106 PHE HA 1 107 GLU H . . 3.400 3.484 3.437 3.515 0.115 2 0 "[ . 1 .]" 1
1003 1 106 PHE H 1 107 GLU H . . 3.600 3.113 2.937 3.320 . 0 0 "[ . 1 .]" 1
1004 1 106 PHE HB3 1 107 GLU H . . 4.800 2.652 2.367 2.911 . 0 0 "[ . 1 .]" 1
1005 1 106 PHE HB2 1 107 GLU H . . 4.800 3.919 3.420 4.105 . 0 0 "[ . 1 .]" 1
1006 1 107 GLU H 1 107 GLU HA . . 2.800 2.791 2.740 2.826 0.026 12 0 "[ . 1 .]" 1
1007 1 107 GLU H 1 107 GLU HB3 . . 3.400 2.896 2.500 3.535 0.135 8 0 "[ . 1 .]" 1
1008 1 107 GLU H 1 107 GLU HB2 . . 3.400 2.595 2.383 3.528 0.128 5 0 "[ . 1 .]" 1
1009 1 107 GLU H 1 109 ASP H . . 4.600 4.003 3.824 4.245 . 0 0 "[ . 1 .]" 1
1010 1 107 GLU HA 1 108 ARG H . . 3.600 3.496 3.411 3.539 . 0 0 "[ . 1 .]" 1
1011 1 107 GLU H 1 108 ARG H . . 2.800 2.767 2.596 2.849 0.049 15 0 "[ . 1 .]" 1
1012 1 107 GLU HB3 1 108 ARG H . . 5.000 3.167 2.495 4.079 . 0 0 "[ . 1 .]" 1
1013 1 107 GLU HB2 1 108 ARG H . . 5.000 3.533 2.204 4.214 . 0 0 "[ . 1 .]" 1
1014 1 108 ARG H 1 108 ARG HA . . 2.800 2.866 2.844 2.900 0.100 3 0 "[ . 1 .]" 1
1015 1 108 ARG H 1 110 ILE H . . 4.200 3.982 3.694 4.166 . 0 0 "[ . 1 .]" 1
1016 1 108 ARG HA 1 109 ASP H . . 3.600 3.455 3.388 3.556 . 0 0 "[ . 1 .]" 1
1017 1 108 ARG H 1 109 ASP H . . 2.800 2.260 2.089 2.418 . 0 0 "[ . 1 .]" 1
1018 1 108 ARG HB3 1 109 ASP H . . 4.800 3.127 2.505 3.803 . 0 0 "[ . 1 .]" 1
1019 1 108 ARG HB2 1 109 ASP H . . 4.800 3.453 2.596 4.194 . 0 0 "[ . 1 .]" 1
1020 1 109 ASP H 1 109 ASP HA . . 2.800 2.818 2.801 2.857 0.057 15 0 "[ . 1 .]" 1
1021 1 107 GLU HA 1 109 ASP H . . 4.400 4.438 4.263 4.504 0.104 3 0 "[ . 1 .]" 1
1022 1 109 ASP H 1 111 GLU H . . 4.200 3.976 3.777 4.076 . 0 0 "[ . 1 .]" 1
1023 1 109 ASP HA 1 110 ILE H . . 3.600 3.513 3.403 3.559 . 0 0 "[ . 1 .]" 1
1024 1 109 ASP H 1 110 ILE H . . 2.800 2.619 2.389 2.799 . 0 0 "[ . 1 .]" 1
1025 1 109 ASP QB 1 110 ILE H . . 5.800 2.703 2.120 3.759 . 0 0 "[ . 1 .]" 1
1026 1 110 ILE H 1 110 ILE HA . . 2.800 2.816 2.792 2.832 0.032 13 0 "[ . 1 .]" 1
1027 1 110 ILE H 1 110 ILE HB . . 4.400 2.697 2.567 2.806 . 0 0 "[ . 1 .]" 1
1028 1 107 GLU HA 1 110 ILE H . . 4.000 3.823 3.537 4.046 0.046 6 0 "[ . 1 .]" 1
1029 1 108 ARG HA 1 110 ILE H . . 4.400 4.434 4.362 4.497 0.097 7 0 "[ . 1 .]" 1
1030 1 110 ILE H 1 112 CYS H . . 4.200 4.117 3.989 4.224 0.024 5 0 "[ . 1 .]" 1
1031 1 110 ILE HA 1 111 GLU H . . 3.600 3.501 3.424 3.550 . 0 0 "[ . 1 .]" 1
1032 1 110 ILE H 1 111 GLU H . . 2.800 2.615 2.439 2.701 . 0 0 "[ . 1 .]" 1
1033 1 110 ILE HB 1 111 GLU H . . 4.800 4.072 3.958 4.185 . 0 0 "[ . 1 .]" 1
1034 1 110 ILE MG 1 111 GLU H . . 5.800 2.316 2.226 2.499 . 0 0 "[ . 1 .]" 1
1035 1 111 GLU H 1 111 GLU HA . . 2.800 2.814 2.785 2.829 0.029 2 0 "[ . 1 .]" 1
1036 1 108 ARG HA 1 111 GLU H . . 3.500 3.421 3.115 3.589 0.089 11 0 "[ . 1 .]" 1
1037 1 107 GLU HA 1 111 GLU H . . 4.800 4.299 3.842 4.763 . 0 0 "[ . 1 .]" 1
1038 1 109 ASP HA 1 111 GLU H . . 4.400 4.288 3.854 4.433 0.033 10 0 "[ . 1 .]" 1
1039 1 111 GLU H 1 113 ILE H . . 4.200 4.072 3.829 4.205 0.005 9 0 "[ . 1 .]" 1
1040 1 111 GLU HA 1 112 CYS H . . 3.600 3.492 3.429 3.544 . 0 0 "[ . 1 .]" 1
1041 1 111 GLU H 1 112 CYS H . . 2.800 2.579 2.475 2.711 . 0 0 "[ . 1 .]" 1
1042 1 111 GLU QB 1 112 CYS H . . 5.400 2.624 2.300 3.700 . 0 0 "[ . 1 .]" 1
1043 1 112 CYS H 1 112 CYS HA . . 2.800 2.805 2.784 2.823 0.023 5 0 "[ . 1 .]" 1
1044 1 112 CYS H 1 112 CYS HB2 . . 3.000 2.612 2.339 2.800 . 0 0 "[ . 1 .]" 1
1045 1 112 CYS H 1 112 CYS HB3 . . 3.000 2.404 2.202 2.727 . 0 0 "[ . 1 .]" 1
1046 1 109 ASP HA 1 112 CYS H . . 3.500 3.422 2.926 3.582 0.082 4 0 "[ . 1 .]" 1
1047 1 108 ARG HA 1 112 CYS H . . 4.200 4.095 3.861 4.298 0.098 3 0 "[ . 1 .]" 1
1048 1 110 ILE HA 1 112 CYS H . . 4.400 4.289 4.051 4.415 0.015 3 0 "[ . 1 .]" 1
1049 1 112 CYS H 1 114 VAL H . . 4.200 4.118 3.988 4.224 0.024 2 0 "[ . 1 .]" 1
1050 1 112 CYS HA 1 113 ILE H . . 3.600 3.515 3.484 3.560 . 0 0 "[ . 1 .]" 1
1051 1 112 CYS H 1 113 ILE H . . 2.800 2.656 2.518 2.803 0.003 3 0 "[ . 1 .]" 1
1052 1 112 CYS QB 1 113 ILE H . . 5.800 2.642 2.437 2.829 . 0 0 "[ . 1 .]" 1
1053 1 113 ILE H 1 113 ILE HA . . 2.800 2.821 2.807 2.837 0.037 11 0 "[ . 1 .]" 1
1054 1 110 ILE HA 1 113 ILE H . . 3.500 3.280 3.001 3.520 0.020 4 0 "[ . 1 .]" 1
1055 1 109 ASP HA 1 113 ILE H . . 4.200 4.126 3.782 4.302 0.102 15 0 "[ . 1 .]" 1
1056 1 111 GLU HA 1 113 ILE H . . 4.400 4.397 4.241 4.441 0.041 6 0 "[ . 1 .]" 1
1057 1 113 ILE H 1 115 LYS H . . 4.200 4.096 3.994 4.175 . 0 0 "[ . 1 .]" 1
1058 1 113 ILE HA 1 114 VAL H . . 3.600 3.526 3.500 3.569 . 0 0 "[ . 1 .]" 1
1059 1 113 ILE H 1 114 VAL H . . 2.800 2.656 2.568 2.751 . 0 0 "[ . 1 .]" 1
1060 1 113 ILE HB 1 114 VAL H . . 4.800 2.640 2.462 2.748 . 0 0 "[ . 1 .]" 1
1061 1 113 ILE MG 1 114 VAL H . . 6.400 3.382 3.234 3.522 . 0 0 "[ . 1 .]" 1
1062 1 114 VAL H 1 114 VAL HA . . 2.800 2.821 2.800 2.838 0.038 2 0 "[ . 1 .]" 1
1063 1 114 VAL H 1 114 VAL HB . . 2.800 2.520 2.446 2.568 . 0 0 "[ . 1 .]" 1
1064 1 111 GLU HA 1 114 VAL H . . 3.500 3.410 3.116 3.561 0.061 2 0 "[ . 1 .]" 1
1065 1 110 ILE HA 1 114 VAL H . . 4.200 3.915 3.705 4.180 . 0 0 "[ . 1 .]" 1
1066 1 112 CYS HA 1 114 VAL H . . 4.400 4.461 4.431 4.479 0.079 10 0 "[ . 1 .]" 1
1067 1 114 VAL H 1 116 ALA H . . 4.200 4.081 3.983 4.200 . 0 0 "[ . 1 .]" 1
1068 1 114 VAL HA 1 115 LYS H . . 3.600 3.510 3.464 3.551 . 0 0 "[ . 1 .]" 1
1069 1 114 VAL H 1 115 LYS H . . 2.800 2.605 2.461 2.764 . 0 0 "[ . 1 .]" 1
1070 1 114 VAL HB 1 115 LYS H . . 3.000 2.786 2.655 2.948 . 0 0 "[ . 1 .]" 1
1071 1 114 VAL MG1 1 115 LYS H . . 6.400 3.455 3.293 3.604 . 0 0 "[ . 1 .]" 1
1072 1 114 VAL MG2 1 115 LYS H . . 6.800 3.956 3.856 4.035 . 0 0 "[ . 1 .]" 1
1073 1 115 LYS H 1 115 LYS HA . . 2.800 2.809 2.787 2.829 0.029 10 0 "[ . 1 .]" 1
1074 1 112 CYS HA 1 115 LYS H . . 3.500 3.518 3.431 3.595 0.095 10 0 "[ . 1 .]" 1
1075 1 111 GLU HA 1 115 LYS H . . 4.200 3.874 3.595 4.059 . 0 0 "[ . 1 .]" 1
1076 1 113 ILE HA 1 115 LYS H . . 4.400 4.413 4.305 4.447 0.047 10 0 "[ . 1 .]" 1
1077 1 115 LYS H 1 117 ILE H . . 4.200 4.152 4.078 4.228 0.028 1 0 "[ . 1 .]" 1
1078 1 115 LYS HA 1 116 ALA H . . 3.600 3.501 3.433 3.541 . 0 0 "[ . 1 .]" 1
1079 1 115 LYS H 1 116 ALA H . . 2.800 2.638 2.484 2.728 . 0 0 "[ . 1 .]" 1
1080 1 115 LYS QB 1 116 ALA H . . 5.400 2.804 2.417 3.571 . 0 0 "[ . 1 .]" 1
1081 1 115 LYS QG 1 116 ALA H . . 6.000 3.926 2.451 4.394 . 0 0 "[ . 1 .]" 1
1082 1 116 ALA H 1 116 ALA HA . . 2.800 2.821 2.805 2.848 0.048 8 0 "[ . 1 .]" 1
1083 1 113 ILE HA 1 116 ALA H . . 3.500 3.487 3.360 3.584 0.084 8 0 "[ . 1 .]" 1
1084 1 112 CYS HA 1 116 ALA H . . 4.200 4.133 4.037 4.243 0.043 1 0 "[ . 1 .]" 1
1085 1 114 VAL HA 1 116 ALA H . . 4.400 4.270 4.123 4.410 0.010 7 0 "[ . 1 .]" 1
1086 1 116 ALA H 1 118 GLU H . . 4.200 4.018 3.910 4.192 . 0 0 "[ . 1 .]" 1
1087 1 116 ALA HA 1 117 ILE H . . 3.600 3.501 3.470 3.532 . 0 0 "[ . 1 .]" 1
1088 1 116 ALA H 1 117 ILE H . . 2.800 2.572 2.401 2.665 . 0 0 "[ . 1 .]" 1
1089 1 116 ALA MB 1 117 ILE H . . 6.000 2.553 2.429 2.671 . 0 0 "[ . 1 .]" 1
1090 1 117 ILE H 1 117 ILE HA . . 2.800 2.828 2.814 2.848 0.048 6 0 "[ . 1 .]" 1
1091 1 117 ILE H 1 117 ILE HB . . 4.400 2.522 2.342 2.615 . 0 0 "[ . 1 .]" 1
1092 1 114 VAL HA 1 117 ILE H . . 3.500 3.423 3.284 3.516 0.016 3 0 "[ . 1 .]" 1
1093 1 113 ILE HA 1 117 ILE H . . 4.200 4.196 4.097 4.262 0.062 15 0 "[ . 1 .]" 1
1094 1 115 LYS HA 1 117 ILE H . . 4.400 4.389 4.234 4.438 0.038 13 0 "[ . 1 .]" 1
1095 1 117 ILE H 1 119 GLU H . . 4.200 4.064 3.793 4.216 0.016 15 0 "[ . 1 .]" 1
1096 1 117 ILE HA 1 118 GLU H . . 3.600 3.530 3.495 3.578 . 0 0 "[ . 1 .]" 1
1097 1 117 ILE H 1 118 GLU H . . 2.800 2.611 2.492 2.701 . 0 0 "[ . 1 .]" 1
1098 1 117 ILE HB 1 118 GLU H . . 4.600 2.575 2.392 2.943 . 0 0 "[ . 1 .]" 1
1099 1 117 ILE MG 1 118 GLU H . . 6.800 3.372 3.023 3.523 . 0 0 "[ . 1 .]" 1
1100 1 118 GLU H 1 118 GLU HA . . 2.800 2.804 2.769 2.822 0.022 7 0 "[ . 1 .]" 1
1101 1 118 GLU H 1 118 GLU HB3 . . 4.400 3.484 2.538 3.667 . 0 0 "[ . 1 .]" 1
1102 1 118 GLU H 1 118 GLU HB2 . . 4.400 2.354 2.053 2.587 . 0 0 "[ . 1 .]" 1
1103 1 115 LYS HA 1 118 GLU H . . 3.500 3.361 3.039 3.546 0.046 13 0 "[ . 1 .]" 1
1104 1 114 VAL HA 1 118 GLU H . . 4.200 3.920 3.834 4.118 . 0 0 "[ . 1 .]" 1
1105 1 116 ALA HA 1 118 GLU H . . 4.400 4.449 4.385 4.487 0.087 12 0 "[ . 1 .]" 1
1106 1 118 GLU H 1 120 CYS H . . 4.200 4.105 3.929 4.185 . 0 0 "[ . 1 .]" 1
1107 1 118 GLU HA 1 119 GLU H . . 3.600 3.506 3.453 3.583 . 0 0 "[ . 1 .]" 1
1108 1 118 GLU H 1 119 GLU H . . 2.800 2.687 2.546 2.823 0.023 8 0 "[ . 1 .]" 1
1109 1 118 GLU HB3 1 119 GLU H . . 4.400 3.451 2.517 3.812 . 0 0 "[ . 1 .]" 1
1110 1 118 GLU HB2 1 119 GLU H . . 4.400 2.932 2.560 3.769 . 0 0 "[ . 1 .]" 1
1111 1 119 GLU H 1 119 GLU HA . . 2.800 2.822 2.810 2.838 0.038 12 0 "[ . 1 .]" 1
1112 1 116 ALA HA 1 119 GLU H . . 3.500 3.433 3.014 3.544 0.044 12 0 "[ . 1 .]" 1
1113 1 115 LYS HA 1 119 GLU H . . 4.200 3.848 3.443 4.004 . 0 0 "[ . 1 .]" 1
1114 1 117 ILE HA 1 119 GLU H . . 4.400 4.390 4.175 4.453 0.053 12 0 "[ . 1 .]" 1
1115 1 119 GLU H 1 121 LEU H . . 4.200 4.092 3.899 4.224 0.024 12 0 "[ . 1 .]" 1
1116 1 119 GLU HA 1 120 CYS H . . 3.600 3.495 3.384 3.515 . 0 0 "[ . 1 .]" 1
1117 1 119 GLU H 1 120 CYS H . . 2.800 2.579 2.477 2.646 . 0 0 "[ . 1 .]" 1
1118 1 119 GLU QB 1 120 CYS H . . 5.400 2.704 2.436 3.545 . 0 0 "[ . 1 .]" 1
1119 1 120 CYS H 1 120 CYS HA . . 2.800 2.823 2.779 2.871 0.071 14 0 "[ . 1 .]" 1
1120 1 120 CYS H 1 120 CYS HB2 . . 2.800 2.429 2.271 2.549 . 0 0 "[ . 1 .]" 1
1121 1 120 CYS H 1 120 CYS HB3 . . 2.800 2.640 2.438 2.815 0.015 1 0 "[ . 1 .]" 1
1122 1 117 ILE HA 1 120 CYS H . . 3.500 3.460 3.283 3.535 0.035 1 0 "[ . 1 .]" 1
1123 1 116 ALA HA 1 120 CYS H . . 4.200 4.078 3.743 4.210 0.010 14 0 "[ . 1 .]" 1
1124 1 118 GLU HA 1 120 CYS H . . 4.400 4.324 4.014 4.432 0.032 15 0 "[ . 1 .]" 1
1125 1 120 CYS H 1 122 ALA H . . 4.200 3.937 3.718 4.204 0.004 15 0 "[ . 1 .]" 1
1126 1 120 CYS HA 1 121 LEU H . . 3.600 3.502 3.434 3.554 . 0 0 "[ . 1 .]" 1
1127 1 120 CYS H 1 121 LEU H . . 2.800 2.580 2.286 2.801 0.001 13 0 "[ . 1 .]" 1
1128 1 120 CYS HB2 1 121 LEU H . . 5.000 3.805 3.575 3.981 . 0 0 "[ . 1 .]" 1
1129 1 120 CYS HB3 1 121 LEU H . . 5.000 2.675 2.400 3.136 . 0 0 "[ . 1 .]" 1
1130 1 121 LEU H 1 121 LEU HA . . 2.800 2.832 2.816 2.847 0.047 13 0 "[ . 1 .]" 1
1131 1 118 GLU HA 1 121 LEU H . . 3.500 3.459 3.133 3.561 0.061 11 0 "[ . 1 .]" 1
1132 1 117 ILE HA 1 121 LEU H . . 4.200 4.086 3.873 4.225 0.025 9 0 "[ . 1 .]" 1
1133 1 119 GLU HA 1 121 LEU H . . 4.400 4.370 4.074 4.465 0.065 3 0 "[ . 1 .]" 1
1134 1 121 LEU H 1 123 LYS H . . 4.200 4.058 3.845 4.205 0.005 3 0 "[ . 1 .]" 1
1135 1 121 LEU HA 1 122 ALA H . . 3.600 3.481 3.366 3.552 . 0 0 "[ . 1 .]" 1
1136 1 121 LEU H 1 122 ALA H . . 2.800 2.508 2.409 2.587 . 0 0 "[ . 1 .]" 1
1137 1 121 LEU QB 1 122 ALA H . . 5.400 2.891 2.711 3.211 . 0 0 "[ . 1 .]" 1
1138 1 121 LEU MD1 1 122 ALA H . . 6.800 4.364 4.195 4.717 . 0 0 "[ . 1 .]" 1
1139 1 121 LEU MD2 1 122 ALA H . . 6.800 4.885 4.611 5.243 . 0 0 "[ . 1 .]" 1
1140 1 122 ALA H 1 122 ALA HA . . 2.800 2.846 2.836 2.866 0.066 15 0 "[ . 1 .]" 1
1141 1 119 GLU HA 1 122 ALA H . . 3.500 3.383 2.987 3.599 0.099 14 0 "[ . 1 .]" 1
1142 1 118 GLU HA 1 122 ALA H . . 4.200 3.944 3.461 4.218 0.018 8 0 "[ . 1 .]" 1
1143 1 120 CYS HA 1 122 ALA H . . 4.400 4.309 4.026 4.464 0.064 10 0 "[ . 1 .]" 1
1144 1 122 ALA HA 1 123 LYS H . . 3.600 3.503 3.411 3.556 . 0 0 "[ . 1 .]" 1
1145 1 122 ALA H 1 123 LYS H . . 2.800 2.513 2.358 2.682 . 0 0 "[ . 1 .]" 1
1146 1 122 ALA MB 1 123 LYS H . . 5.800 2.943 2.655 3.271 . 0 0 "[ . 1 .]" 1
1147 1 123 LYS H 1 123 LYS HA . . 2.800 2.840 2.795 2.893 0.093 15 0 "[ . 1 .]" 1
1148 1 120 CYS HA 1 123 LYS H . . 3.500 3.593 3.521 3.653 0.153 14 0 "[ . 1 .]" 1
1149 1 119 GLU HA 1 123 LYS H . . 4.200 3.950 3.494 4.249 0.049 4 0 "[ . 1 .]" 1
1150 1 121 LEU HA 1 123 LYS H . . 4.400 4.263 4.034 4.445 0.045 10 0 "[ . 1 .]" 1
1151 1 123 LYS HA 1 124 GLY H . . 3.200 3.245 3.086 3.372 0.172 3 0 "[ . 1 .]" 1
1152 1 123 LYS H 1 124 GLY H . . 4.000 2.499 2.257 2.858 . 0 0 "[ . 1 .]" 1
1153 1 123 LYS HB3 1 124 GLY H . . 4.800 3.699 2.340 4.385 . 0 0 "[ . 1 .]" 1
1154 1 123 LYS HB2 1 124 GLY H . . 4.800 3.549 2.554 4.224 . 0 0 "[ . 1 .]" 1
1155 1 124 GLY H 1 124 GLY HA2 . . 2.800 2.570 2.326 2.860 0.060 11 0 "[ . 1 .]" 1
1156 1 124 GLY H 1 124 GLY HA3 . . 3.000 2.635 2.263 2.918 . 0 0 "[ . 1 .]" 1
1157 1 124 GLY HA2 1 125 GLU H . . 2.600 2.473 2.047 2.759 0.159 2 0 "[ . 1 .]" 1
1158 1 124 GLY HA3 1 125 GLU H . . 3.200 2.665 1.890 3.358 0.158 15 0 "[ . 1 .]" 1
1159 1 124 GLY H 1 125 GLU H . . 4.800 4.237 3.100 4.571 . 0 0 "[ . 1 .]" 1
1160 1 125 GLU H 1 125 GLU HA . . 3.000 2.712 2.090 2.945 . 0 0 "[ . 1 .]" 1
1161 1 125 GLU HA 1 126 LEU H . . 2.400 2.318 2.090 2.644 0.244 9 0 "[ . 1 .]" 1
1162 1 125 GLU H 1 126 LEU H . . 4.800 3.424 2.193 4.540 . 0 0 "[ . 1 .]" 1
1163 1 125 GLU QB 1 126 LEU H . . 5.400 3.747 3.121 3.952 . 0 0 "[ . 1 .]" 1
1164 1 125 GLU QG 1 126 LEU H . . 5.800 4.292 3.331 4.727 . 0 0 "[ . 1 .]" 1
1165 1 126 LEU H 1 126 LEU HA . . 2.800 2.781 2.176 2.916 0.116 9 0 "[ . 1 .]" 1
1166 1 126 LEU HA 1 127 ASN H . . 2.400 2.296 2.133 2.472 0.072 1 0 "[ . 1 .]" 1
1167 1 126 LEU H 1 127 ASN H . . 4.800 3.851 2.933 4.490 . 0 0 "[ . 1 .]" 1
1168 1 126 LEU QB 1 127 ASN H . . 5.400 3.393 1.923 4.035 . 0 0 "[ . 1 .]" 1
1169 1 127 ASN H 1 127 ASN HA . . 2.800 2.767 2.230 2.881 0.081 1 0 "[ . 1 .]" 1
1170 1 127 ASN H 1 127 ASN HB3 . . 4.400 3.091 2.246 3.694 . 0 0 "[ . 1 .]" 1
1171 1 127 ASN H 1 127 ASN HB2 . . 4.400 3.255 2.521 3.777 . 0 0 "[ . 1 .]" 1
1172 1 127 ASN HA 1 128 SER H . . 2.400 2.154 2.003 2.424 0.024 8 0 "[ . 1 .]" 1
1173 1 127 ASN H 1 128 SER H . . 4.800 4.034 3.308 4.578 . 0 0 "[ . 1 .]" 1
1174 1 127 ASN HB3 1 128 SER H . . 4.400 4.064 2.945 4.493 0.093 6 0 "[ . 1 .]" 1
1175 1 127 ASN HB2 1 128 SER H . . 4.400 4.010 2.668 4.439 0.039 9 0 "[ . 1 .]" 1
1176 1 128 SER H 1 128 SER HA . . 2.800 2.740 2.109 2.875 0.075 11 0 "[ . 1 .]" 1
1177 1 128 SER H 1 128 SER HB3 . . 3.600 3.316 2.382 3.784 0.184 6 0 "[ . 1 .]" 1
1178 1 128 SER H 1 128 SER HB2 . . 3.600 2.919 2.467 3.696 0.096 14 0 "[ . 1 .]" 1
1179 1 128 SER HA 1 129 LYS H . . 2.600 2.340 2.093 2.829 0.229 3 0 "[ . 1 .]" 1
1180 1 128 SER H 1 129 LYS H . . 4.800 3.829 1.865 4.515 . 0 0 "[ . 1 .]" 1
1181 1 128 SER HB3 1 129 LYS H . . 4.400 3.577 2.293 4.412 0.012 4 0 "[ . 1 .]" 1
1182 1 128 SER HB2 1 129 LYS H . . 4.400 4.110 3.322 4.470 0.070 15 0 "[ . 1 .]" 1
1183 1 129 LYS H 1 129 LYS HA . . 2.800 2.717 2.213 2.889 0.089 14 0 "[ . 1 .]" 1
1184 1 129 LYS HA 1 130 LEU H . . 2.600 2.218 2.037 2.668 0.068 14 0 "[ . 1 .]" 1
1185 1 129 LYS H 1 130 LEU H . . 4.800 3.820 2.678 4.671 . 0 0 "[ . 1 .]" 1
1186 1 129 LYS QB 1 130 LEU H . . 5.400 3.631 2.958 3.966 . 0 0 "[ . 1 .]" 1
1187 1 130 LEU H 1 130 LEU HA . . 2.800 2.791 2.239 2.884 0.084 10 0 "[ . 1 .]" 1
1188 1 130 LEU HA 1 131 GLU H . . 2.800 2.348 2.027 2.861 0.061 13 0 "[ . 1 .]" 1
1189 1 130 LEU H 1 131 GLU H . . 4.800 3.746 1.932 4.618 . 0 0 "[ . 1 .]" 1
1190 1 130 LEU QB 1 131 GLU H . . 4.600 3.479 1.888 4.034 . 0 0 "[ . 1 .]" 1
1191 1 130 LEU MD1 1 131 GLU H . . 6.800 3.652 2.161 5.601 . 0 0 "[ . 1 .]" 1
1192 1 130 LEU MD2 1 131 GLU H . . 6.800 4.422 3.291 5.609 . 0 0 "[ . 1 .]" 1
1193 1 131 GLU H 1 131 GLU HA . . 3.000 2.861 2.777 2.927 . 0 0 "[ . 1 .]" 1
1194 1 131 GLU HA 1 132 GLY H . . 2.800 2.311 2.028 2.879 0.079 9 0 "[ . 1 .]" 1
1195 1 131 GLU H 1 132 GLY H . . 4.800 4.028 2.131 4.526 . 0 0 "[ . 1 .]" 1
1196 1 131 GLU QB 1 132 GLY H . . 5.800 3.257 1.790 3.936 . 0 0 "[ . 1 .]" 1
1197 1 131 GLU QG 1 132 GLY H . . 6.000 3.799 2.359 4.655 . 0 0 "[ . 1 .]" 1
1198 1 132 GLY QA 1 133 LYS H . . 4.000 2.249 2.089 2.606 . 0 0 "[ . 1 .]" 1
1199 1 132 GLY H 1 133 LYS H . . 4.800 3.961 2.508 4.575 . 0 0 "[ . 1 .]" 1
1200 1 133 LYS H 1 133 LYS HA . . 3.000 2.911 2.834 2.944 . 0 0 "[ . 1 .]" 1
1201 1 133 LYS HA 1 134 PRO HD2 . . 3.000 2.528 1.990 3.002 0.002 5 0 "[ . 1 .]" 1
1202 1 133 LYS HA 1 134 PRO HD3 . . 3.000 2.136 1.924 2.530 . 0 0 "[ . 1 .]" 1
1203 1 134 PRO HA 1 135 ILE H . . 2.600 2.231 2.098 2.539 . 0 0 "[ . 1 .]" 1
1204 1 134 PRO QB 1 135 ILE H . . 5.800 3.472 2.561 3.903 . 0 0 "[ . 1 .]" 1
1205 1 135 ILE H 1 135 ILE HA . . 3.000 2.890 2.823 2.923 . 0 0 "[ . 1 .]" 1
1206 1 135 ILE H 1 135 ILE HB . . 3.200 2.663 2.441 3.234 0.034 8 0 "[ . 1 .]" 1
1207 1 135 ILE HA 1 136 PRO HD2 . . 3.600 1.936 1.844 2.092 . 0 0 "[ . 1 .]" 1
1208 1 135 ILE HA 1 136 PRO HD3 . . 3.600 2.559 2.430 2.691 . 0 0 "[ . 1 .]" 1
1209 1 135 ILE H 1 136 PRO HD2 . . 4.400 4.489 4.447 4.545 0.145 5 0 "[ . 1 .]" 1
1210 1 135 ILE H 1 136 PRO HD3 . . 4.800 4.116 3.615 4.811 0.011 7 0 "[ . 1 .]" 1
1211 1 136 PRO HA 1 137 ASN H . . 2.800 2.244 2.133 2.397 . 0 0 "[ . 1 .]" 1
1212 1 136 PRO QB 1 137 ASN H . . 5.800 3.008 2.410 3.318 . 0 0 "[ . 1 .]" 1
1213 1 137 ASN H 1 137 ASN HA . . 3.000 2.820 2.199 2.948 . 0 0 "[ . 1 .]" 1
1214 1 137 ASN H 1 137 ASN HB2 . . 4.400 3.067 2.447 3.947 . 0 0 "[ . 1 .]" 1
1215 1 137 ASN H 1 137 ASN HB3 . . 4.400 3.410 2.715 4.106 . 0 0 "[ . 1 .]" 1
1216 1 137 ASN HA 1 138 PRO HD2 . . 3.000 2.449 2.011 2.728 . 0 0 "[ . 1 .]" 1
1217 1 137 ASN HA 1 138 PRO HD3 . . 3.000 2.289 1.940 2.827 . 0 0 "[ . 1 .]" 1
1218 1 137 ASN H 1 138 PRO HD2 . . 5.400 4.740 3.391 5.273 . 0 0 "[ . 1 .]" 1
1219 1 137 ASN H 1 138 PRO HD3 . . 5.400 4.124 2.464 5.342 . 0 0 "[ . 1 .]" 1
1220 1 138 PRO HA 1 139 LEU H . . 3.400 3.198 2.216 3.473 0.073 14 0 "[ . 1 .]" 1
1221 1 138 PRO QD 1 139 LEU H . . 5.000 2.922 2.252 4.550 . 0 0 "[ . 1 .]" 1
1222 1 139 LEU H 1 139 LEU HA . . 3.000 2.591 2.193 2.934 . 0 0 "[ . 1 .]" 1
1223 1 137 ASN HA 1 139 LEU H . . 5.000 3.883 3.099 5.046 0.046 5 0 "[ . 1 .]" 1
1224 1 137 ASN HB2 1 139 LEU H . . 5.400 4.198 2.484 5.431 0.031 15 0 "[ . 1 .]" 1
1225 1 137 ASN HB3 1 139 LEU H . . 5.400 3.608 2.489 5.030 . 0 0 "[ . 1 .]" 1
1226 1 139 LEU HA 1 140 LEU H . . 2.400 2.155 1.982 2.412 0.012 12 0 "[ . 1 .]" 1
1227 1 139 LEU H 1 140 LEU H . . 4.800 3.880 2.846 4.522 . 0 0 "[ . 1 .]" 1
1228 1 139 LEU HB2 1 140 LEU H . . 4.400 4.114 2.383 4.450 0.050 12 0 "[ . 1 .]" 1
1229 1 139 LEU HB3 1 140 LEU H . . 4.400 3.878 2.984 4.405 0.005 7 0 "[ . 1 .]" 1
1230 1 140 LEU H 1 140 LEU HA . . 3.000 2.854 2.203 2.939 . 0 0 "[ . 1 .]" 1
1231 1 140 LEU HA 1 141 GLY H . . 2.400 2.193 2.018 2.399 . 0 0 "[ . 1 .]" 1
1232 1 140 LEU H 1 141 GLY H . . 4.800 3.992 3.541 4.577 . 0 0 "[ . 1 .]" 1
1233 1 140 LEU QB 1 141 GLY H . . 5.800 3.637 2.676 4.006 . 0 0 "[ . 1 .]" 1
1234 1 140 LEU MD1 1 141 GLY H . . 6.800 3.708 2.486 5.384 . 0 0 "[ . 1 .]" 1
1235 1 140 LEU MD2 1 141 GLY H . . 6.800 4.759 3.505 5.574 . 0 0 "[ . 1 .]" 1
1236 1 141 GLY QA 1 142 LEU H . . 3.800 2.320 2.004 2.917 . 0 0 "[ . 1 .]" 1
1237 1 141 GLY H 1 142 LEU H . . 4.800 3.692 2.041 4.576 . 0 0 "[ . 1 .]" 1
1238 1 142 LEU H 1 142 LEU HA . . 3.000 2.800 2.188 2.942 . 0 0 "[ . 1 .]" 1
1239 1 142 LEU HA 1 143 ASP H . . 2.800 2.348 2.060 2.856 0.056 9 0 "[ . 1 .]" 1
1240 1 142 LEU H 1 143 ASP H . . 4.800 3.674 2.297 4.464 . 0 0 "[ . 1 .]" 1
1241 1 142 LEU QB 1 143 ASP H . . 5.000 3.520 2.204 4.064 . 0 0 "[ . 1 .]" 1
1242 1 142 LEU MD1 1 143 ASP H . . 6.800 4.235 2.219 5.428 . 0 0 "[ . 1 .]" 1
1243 1 142 LEU MD2 1 143 ASP H . . 6.800 4.307 2.942 5.637 . 0 0 "[ . 1 .]" 1
1244 1 143 ASP H 1 143 ASP HA . . 3.000 2.912 2.778 2.961 . 0 0 "[ . 1 .]" 1
1245 1 143 ASP H 1 143 ASP HB2 . . 4.400 3.140 2.268 3.817 . 0 0 "[ . 1 .]" 1
1246 1 143 ASP H 1 143 ASP HB3 . . 4.400 2.826 2.374 3.731 . 0 0 "[ . 1 .]" 1
1247 1 143 ASP HA 1 144 SER H . . 3.600 2.293 2.060 3.256 . 0 0 "[ . 1 .]" 1
1248 1 143 ASP H 1 144 SER H . . 4.800 3.865 2.019 4.516 . 0 0 "[ . 1 .]" 1
1249 1 143 ASP HB2 1 144 SER H . . 5.000 3.990 2.319 4.532 . 0 0 "[ . 1 .]" 1
1250 1 143 ASP HB3 1 144 SER H . . 5.800 4.088 3.623 4.472 . 0 0 "[ . 1 .]" 1
1251 1 144 SER H 1 144 SER HA . . 3.000 2.849 2.637 2.928 . 0 0 "[ . 1 .]" 1
1252 1 144 SER HA 1 145 THR H . . 2.400 2.275 2.106 2.538 0.138 7 0 "[ . 1 .]" 1
1253 1 144 SER H 1 145 THR H . . 4.800 3.497 2.220 4.486 . 0 0 "[ . 1 .]" 1
1254 1 144 SER HB3 1 145 THR H . . 4.800 3.984 2.846 4.450 . 0 0 "[ . 1 .]" 1
1255 1 144 SER HB2 1 145 THR H . . 4.800 4.316 3.810 4.541 . 0 0 "[ . 1 .]" 1
1256 1 145 THR H 1 145 THR HA . . 3.000 2.867 2.773 2.918 . 0 0 "[ . 1 .]" 1
1257 1 145 THR HA 1 146 ARG H . . 3.400 2.337 2.073 3.406 0.006 4 0 "[ . 1 .]" 1
1258 1 145 THR H 1 146 ARG H . . 4.800 3.842 2.100 4.457 . 0 0 "[ . 1 .]" 1
1259 1 146 ARG H 1 146 ARG HA . . 3.000 2.762 2.228 2.944 . 0 0 "[ . 1 .]" 1
1260 1 146 ARG HA 1 147 THR H . . 2.800 2.284 2.115 2.741 . 0 0 "[ . 1 .]" 1
1261 1 146 ARG H 1 147 THR H . . 4.800 4.234 3.737 4.622 . 0 0 "[ . 1 .]" 1
1262 1 146 ARG QB 1 147 THR H . . 6.400 3.373 2.029 3.944 . 0 0 "[ . 1 .]" 1
1263 1 146 ARG QG 1 147 THR H . . 6.800 3.384 1.760 4.383 . 0 0 "[ . 1 .]" 1
1264 1 147 THR H 1 147 THR HA . . 3.000 2.812 2.226 2.891 . 0 0 "[ . 1 .]" 1
1265 1 147 THR HA 1 148 GLY H . . 2.400 2.211 2.075 2.415 0.015 3 0 "[ . 1 .]" 1
1266 1 147 THR H 1 148 GLY H . . 4.800 4.177 3.539 4.513 . 0 0 "[ . 1 .]" 1
1267 1 68 TYR HA 1 85 LYS HA . . 2.300 2.174 2.091 2.326 0.026 9 0 "[ . 1 .]" 1
1268 1 68 TYR HA 1 85 LYS QG . . 5.800 4.503 2.866 5.120 . 0 0 "[ . 1 .]" 1
1269 1 68 TYR HA 1 69 ARG HA . . 5.000 4.396 4.321 4.459 . 0 0 "[ . 1 .]" 1
1270 1 67 LEU HA 1 68 TYR HA . . 5.000 4.385 4.337 4.428 . 0 0 "[ . 1 .]" 1
1271 1 61 GLY HA2 1 68 TYR HA . . 6.000 5.107 4.293 6.018 0.018 14 0 "[ . 1 .]" 1
1272 1 61 GLY HA3 1 68 TYR HA . . 6.000 4.946 4.675 5.419 . 0 0 "[ . 1 .]" 1
1273 1 68 TYR HB2 1 85 LYS HA . . 5.000 4.054 3.871 4.416 . 0 0 "[ . 1 .]" 1
1274 1 68 TYR HB3 1 85 LYS HA . . 5.000 5.025 4.936 5.109 0.109 5 0 "[ . 1 .]" 1
1275 1 4 ASP HA 1 30 GLY HA2 . . 2.600 1.854 1.780 2.082 . 0 0 "[ . 1 .]" 1
1276 1 4 ASP HA 1 30 GLY HA3 . . 3.400 2.609 1.938 3.075 . 0 0 "[ . 1 .]" 1
1277 1 3 TYR HA 1 4 ASP HA . . 5.000 4.354 4.274 4.442 . 0 0 "[ . 1 .]" 1
1278 1 4 ASP HA 1 5 VAL HA . . 5.000 4.370 4.284 4.425 . 0 0 "[ . 1 .]" 1
1279 1 4 ASP HB2 1 30 GLY HA2 . . 5.000 3.798 3.101 4.430 . 0 0 "[ . 1 .]" 1
1280 1 4 ASP HB3 1 30 GLY HA2 . . 5.000 4.557 3.346 4.957 . 0 0 "[ . 1 .]" 1
1281 1 4 ASP HB2 1 30 GLY HA3 . . 5.000 3.337 2.352 4.480 . 0 0 "[ . 1 .]" 1
1282 1 4 ASP HB3 1 30 GLY HA3 . . 5.000 4.333 3.181 5.073 0.073 7 0 "[ . 1 .]" 1
1283 1 54 ALA HA 1 73 LEU HA . . 2.600 2.547 2.349 2.653 0.053 1 0 "[ . 1 .]" 1
1284 1 54 ALA HA 1 73 LEU MD2 . . 6.800 4.025 3.008 5.145 . 0 0 "[ . 1 .]" 1
1285 1 54 ALA HA 1 73 LEU MD1 . . 5.400 2.766 1.953 4.344 . 0 0 "[ . 1 .]" 1
1286 1 53 ASN HA 1 54 ALA HA . . 5.200 4.319 4.283 4.377 . 0 0 "[ . 1 .]" 1
1287 1 54 ALA HA 1 55 SER HA . . 5.200 4.383 4.304 4.447 . 0 0 "[ . 1 .]" 1
1288 1 49 LYS HA 1 54 ALA HA . . 5.200 5.077 4.628 5.289 0.089 10 0 "[ . 1 .]" 1
1289 1 49 LYS HA 1 54 ALA MB . . 6.000 2.457 1.922 2.817 . 0 0 "[ . 1 .]" 1
1290 1 48 ILE MG 1 54 ALA HA . . 6.800 4.077 3.608 4.354 . 0 0 "[ . 1 .]" 1
1291 1 48 ILE MG 1 73 LEU HA . . 6.800 4.444 4.183 4.696 . 0 0 "[ . 1 .]" 1
1292 1 48 ILE MD 1 73 LEU HA . . 6.800 6.362 6.018 6.832 0.032 12 0 "[ . 1 .]" 1
1293 1 65 ASP HA 1 87 ARG HA . . 2.300 1.948 1.814 2.155 . 0 0 "[ . 1 .]" 1
1294 1 64 CYS HA 1 65 ASP HA . . 5.200 4.613 4.496 4.805 . 0 0 "[ . 1 .]" 1
1295 1 65 ASP HA 1 66 VAL HA . . 5.200 4.289 4.209 4.388 . 0 0 "[ . 1 .]" 1
1296 1 65 ASP HB2 1 87 ARG HA . . 5.000 4.779 4.496 5.078 0.078 8 0 "[ . 1 .]" 1
1297 1 65 ASP HB3 1 87 ARG HA . . 5.000 4.000 3.574 4.855 . 0 0 "[ . 1 .]" 1
1298 1 9 PRO HA 1 82 VAL HA . . 2.600 2.320 2.036 2.580 . 0 0 "[ . 1 .]" 1
1299 1 9 PRO HA 1 117 ILE HA . . 5.200 5.101 4.856 5.235 0.035 10 0 "[ . 1 .]" 1
1300 1 9 PRO HA 1 120 CYS HB2 . . 5.400 5.383 5.144 5.462 0.062 6 0 "[ . 1 .]" 1
1301 1 9 PRO HA 1 120 CYS HB3 . . 5.400 5.161 4.911 5.352 . 0 0 "[ . 1 .]" 1
1302 1 56 VAL HA 1 71 TYR HA . . 2.300 2.261 2.133 2.322 0.022 8 0 "[ . 1 .]" 1
1303 1 56 VAL HA 1 71 TYR HB2 . . 5.000 4.961 4.786 5.045 0.045 10 0 "[ . 1 .]" 1
1304 1 56 VAL HA 1 71 TYR HB3 . . 5.000 4.127 3.742 4.334 . 0 0 "[ . 1 .]" 1
1305 1 56 VAL MG1 1 71 TYR HA . . 6.400 4.970 4.806 5.041 . 0 0 "[ . 1 .]" 1
1306 1 56 VAL MG2 1 71 TYR HA . . 7.000 3.597 3.213 3.751 . 0 0 "[ . 1 .]" 1
1307 1 56 VAL HB 1 71 TYR HA . . 4.000 3.943 3.644 4.049 0.049 13 0 "[ . 1 .]" 1
1308 1 70 LYS HA 1 71 TYR HA . . 5.200 4.414 4.246 4.496 . 0 0 "[ . 1 .]" 1
1309 1 72 THR HA 1 81 ILE HA . . 2.600 2.400 2.244 2.508 . 0 0 "[ . 1 .]" 1
1310 1 72 THR HB 1 81 ILE HA . . 5.400 5.412 5.268 5.487 0.087 3 0 "[ . 1 .]" 1
1311 1 80 GLY HA2 1 81 ILE HA . . 5.400 4.385 4.273 4.447 . 0 0 "[ . 1 .]" 1
1312 1 7 ILE HA 1 84 VAL HA . . 2.300 2.217 2.114 2.359 0.059 9 0 "[ . 1 .]" 1
1313 1 83 HIS HB2 1 84 VAL HA . . 5.000 4.833 4.629 5.008 0.008 4 0 "[ . 1 .]" 1
1314 1 83 HIS HB3 1 84 VAL HA . . 5.000 4.729 4.503 4.863 . 0 0 "[ . 1 .]" 1
1315 1 74 GLU HA 1 79 LYS HA . . 2.300 2.304 2.060 2.372 0.072 13 0 "[ . 1 .]" 1
1316 1 74 GLU HA 1 75 LYS HA . . 5.200 4.345 4.234 4.452 . 0 0 "[ . 1 .]" 1
1317 1 3 TYR HA 1 88 LYS HA . . 2.600 2.584 2.362 2.683 0.083 4 0 "[ . 1 .]" 1
1318 1 2 LYS HA 1 3 TYR HA . . 5.200 4.363 4.284 4.440 . 0 0 "[ . 1 .]" 1
1319 1 70 LYS HA 1 83 HIS HA . . 2.300 2.338 2.192 2.405 0.105 4 0 "[ . 1 .]" 1
1320 1 5 VAL HA 1 86 LEU HA . . 2.300 2.375 2.166 2.432 0.132 10 0 "[ . 1 .]" 1
1321 1 6 VAL HA 1 28 VAL HA . . 2.300 2.322 2.242 2.382 0.082 14 0 "[ . 1 .]" 1
1322 1 28 VAL HA 1 29 ILE HA . . 5.200 4.399 4.327 4.505 . 0 0 "[ . 1 .]" 1
1323 1 92 ASN HA 1 93 CYS HA . . 5.200 4.459 4.306 4.550 . 0 0 "[ . 1 .]" 1
1324 1 31 ASP HA 1 32 ARG HA . . 2.200 4.521 4.219 4.697 2.497 5 15 [****+*-********] 1
1325 1 32 ARG HA 1 37 ALA HA . . 5.400 5.409 5.071 5.502 0.102 10 0 "[ . 1 .]" 1
1326 1 32 ARG HA 1 37 ALA MB . . 6.800 4.549 4.328 4.772 . 0 0 "[ . 1 .]" 1
1327 1 32 ARG HA 1 36 ILE MG . . 6.400 3.536 2.971 4.398 . 0 0 "[ . 1 .]" 1
1328 1 32 ARG HA 1 33 SER HA . . 5.200 4.365 4.268 4.423 . 0 0 "[ . 1 .]" 1
1329 1 30 GLY HA2 1 31 ASP HA . . 5.200 4.189 4.029 4.567 . 0 0 "[ . 1 .]" 1
1330 1 49 LYS HA 1 53 ASN HA . . 5.400 4.684 3.952 5.171 . 0 0 "[ . 1 .]" 1
1331 1 58 GLU HA 1 69 ARG HA . . 3.000 2.358 2.101 2.957 . 0 0 "[ . 1 .]" 1
1332 1 8 ILE HA 1 26 PRO HA . . 2.600 2.246 2.018 2.454 . 0 0 "[ . 1 .]" 1
1333 1 11 SER HA 1 80 GLY HA2 . . 2.600 2.030 1.810 2.507 . 0 0 "[ . 1 .]" 1
1334 1 11 SER HA 1 80 GLY HA3 . . 3.400 2.542 2.020 3.111 . 0 0 "[ . 1 .]" 1
1335 1 60 GLU HA 1 67 LEU HA . . 3.400 3.315 2.833 3.491 0.091 6 0 "[ . 1 .]" 1
1336 1 49 LYS HA 1 73 LEU MD1 . . 7.400 4.874 4.538 6.568 . 0 0 "[ . 1 .]" 1
1337 1 49 LYS HA 1 73 LEU MD2 . . 7.400 6.423 5.522 7.327 . 0 0 "[ . 1 .]" 1
1338 1 48 ILE HA 1 73 LEU MD1 . . 7.400 4.303 3.664 5.762 . 0 0 "[ . 1 .]" 1
1339 1 48 ILE HA 1 73 LEU MD2 . . 7.400 5.529 4.031 6.432 . 0 0 "[ . 1 .]" 1
1340 1 48 ILE HA 1 52 PHE HB2 . . 4.800 3.386 2.990 3.591 . 0 0 "[ . 1 .]" 1
1341 1 48 ILE HA 1 52 PHE HB3 . . 5.200 4.982 4.577 5.226 0.026 9 0 "[ . 1 .]" 1
1342 1 52 PHE HB2 1 73 LEU MD1 . . 5.400 2.862 2.257 4.992 . 0 0 "[ . 1 .]" 1
1343 1 52 PHE HB3 1 73 LEU MD1 . . 5.400 2.861 2.079 4.899 . 0 0 "[ . 1 .]" 1
1344 1 71 TYR HB2 1 73 LEU MD1 . . 6.800 3.916 2.073 5.069 . 0 0 "[ . 1 .]" 1
1345 1 71 TYR HB3 1 73 LEU MD1 . . 6.800 3.033 1.881 4.208 . 0 0 "[ . 1 .]" 1
1346 1 48 ILE MD 1 71 TYR HB2 . . 6.800 3.808 2.990 4.443 . 0 0 "[ . 1 .]" 1
1347 1 48 ILE MD 1 71 TYR HB3 . . 6.800 3.824 3.210 4.468 . 0 0 "[ . 1 .]" 1
1348 1 48 ILE MG 1 71 TYR HB2 . . 6.400 3.920 3.272 4.644 . 0 0 "[ . 1 .]" 1
1349 1 48 ILE MG 1 71 TYR HB3 . . 6.400 3.122 2.616 3.798 . 0 0 "[ . 1 .]" 1
1350 1 82 VAL MG2 1 117 ILE MD . . 6.400 2.262 1.951 2.782 . 0 0 "[ . 1 .]" 1
1351 1 82 VAL MG2 1 117 ILE MG . . 6.400 2.461 2.081 3.238 . 0 0 "[ . 1 .]" 1
1352 1 73 LEU MD1 1 82 VAL MG2 . . 6.400 3.698 2.015 4.063 . 0 0 "[ . 1 .]" 1
1353 1 73 LEU MD2 1 82 VAL MG2 . . 6.400 2.054 1.860 2.826 . 0 0 "[ . 1 .]" 1
1354 1 48 ILE MD 1 82 VAL MG2 . . 7.400 3.369 2.769 3.923 . 0 0 "[ . 1 .]" 1
1355 1 82 VAL MG1 1 84 VAL MG2 . . 6.800 2.066 1.912 2.261 . 0 0 "[ . 1 .]" 1
1356 1 48 ILE MD 1 82 VAL MG1 . . 6.000 3.119 2.273 3.525 . 0 0 "[ . 1 .]" 1
1357 1 44 VAL MG1 1 48 ILE MD . . 6.000 2.072 2.009 2.197 . 0 0 "[ . 1 .]" 1
1358 1 48 ILE MG 1 54 ALA MB . . 5.400 1.995 1.881 2.213 . 0 0 "[ . 1 .]" 1
1359 1 48 ILE MG 1 73 LEU MD1 . . 6.400 1.935 1.802 2.774 . 0 0 "[ . 1 .]" 1
1360 1 48 ILE MG 1 73 LEU MD2 . . 7.400 2.693 1.988 3.447 . 0 0 "[ . 1 .]" 1
1361 1 54 ALA MB 1 73 LEU MD1 . . 6.400 2.080 1.874 3.021 . 0 0 "[ . 1 .]" 1
1362 1 54 ALA MB 1 73 LEU MD2 . . 6.800 3.240 2.243 4.253 . 0 0 "[ . 1 .]" 1
1363 1 48 ILE MD 1 117 ILE MD . . 6.400 2.459 2.118 3.861 . 0 0 "[ . 1 .]" 1
1364 1 73 LEU MD1 1 117 ILE MG . . 6.800 3.554 2.564 5.019 . 0 0 "[ . 1 .]" 1
1365 1 73 LEU MD2 1 117 ILE MG . . 6.800 3.143 2.231 3.504 . 0 0 "[ . 1 .]" 1
1366 1 118 GLU HA 1 121 LEU MD1 . . 6.000 3.754 2.819 4.201 . 0 0 "[ . 1 .]" 1
1367 1 80 GLY HA3 1 121 LEU MD1 . . 6.000 2.523 2.039 4.031 . 0 0 "[ . 1 .]" 1
1368 1 11 SER HA 1 121 LEU MD1 . . 6.000 4.029 3.354 5.830 . 0 0 "[ . 1 .]" 1
1369 1 73 LEU MD1 1 121 LEU MD2 . . 6.800 3.688 2.074 5.382 . 0 0 "[ . 1 .]" 1
1370 1 73 LEU MD2 1 121 LEU MD2 . . 7.400 3.733 2.841 4.343 . 0 0 "[ . 1 .]" 1
1371 1 78 LYS QE 1 121 LEU MD1 . . 6.800 5.586 3.001 6.867 0.067 15 0 "[ . 1 .]" 1
1372 1 78 LYS QE 1 121 LEU MD2 . . 6.800 4.590 3.048 5.986 . 0 0 "[ . 1 .]" 1
1373 1 56 VAL MG1 1 69 ARG QD . . 6.400 4.708 3.767 5.774 . 0 0 "[ . 1 .]" 1
1374 1 37 ALA MB 1 86 LEU QD . . 6.000 2.305 1.824 2.852 . 0 0 "[ . 1 .]" 1
1375 1 66 VAL HB 1 86 LEU QD . . 5.400 3.652 2.883 4.334 . 0 0 "[ . 1 .]" 1
1376 1 66 VAL QG 1 86 LEU QD . . 6.400 3.503 2.765 4.101 . 0 0 "[ . 1 .]" 1
1377 1 66 VAL QG 1 87 ARG HA . . 6.000 3.381 2.713 3.941 . 0 0 "[ . 1 .]" 1
1378 1 66 VAL QG 1 88 LYS QE . . 6.400 3.131 2.087 4.125 . 0 0 "[ . 1 .]" 1
1379 1 28 VAL MG1 1 30 GLY HA2 . . 5.800 4.327 3.763 4.939 . 0 0 "[ . 1 .]" 1
1380 1 28 VAL MG1 1 30 GLY HA3 . . 5.000 3.707 3.097 4.357 . 0 0 "[ . 1 .]" 1
1381 1 28 VAL MG2 1 98 GLY HA2 . . 6.400 3.573 3.311 3.936 . 0 0 "[ . 1 .]" 1
1382 1 28 VAL MG2 1 98 GLY HA3 . . 6.600 2.167 1.962 2.603 . 0 0 "[ . 1 .]" 1
1383 1 70 LYS QE 1 81 ILE MG . . 6.400 3.786 2.108 6.033 . 0 0 "[ . 1 .]" 1
1384 1 70 LYS QE 1 81 ILE MD . . 5.400 3.867 2.491 5.089 . 0 0 "[ . 1 .]" 1
1385 1 72 THR HA 1 81 ILE MG . . 6.000 3.292 2.393 5.031 . 0 0 "[ . 1 .]" 1
1386 1 72 THR HA 1 81 ILE MD . . 6.000 3.832 1.949 4.908 . 0 0 "[ . 1 .]" 1
1387 1 10 GLU QG 1 81 ILE MG . . 6.400 3.372 1.990 4.397 . 0 0 "[ . 1 .]" 1
1388 1 10 GLU QG 1 81 ILE MD . . 6.800 3.789 2.365 5.323 . 0 0 "[ . 1 .]" 1
1389 1 48 ILE MD 1 84 VAL MG2 . . 7.400 3.786 3.176 4.504 . 0 0 "[ . 1 .]" 1
1390 1 32 ARG QD 1 36 ILE MG . . 5.400 2.438 1.970 3.988 . 0 0 "[ . 1 .]" 1
1391 1 32 ARG QD 1 36 ILE MD . . 6.400 4.269 3.061 5.278 . 0 0 "[ . 1 .]" 1
1392 1 47 VAL MG1 1 110 ILE MG . . 6.800 4.238 3.517 5.102 . 0 0 "[ . 1 .]" 1
1393 1 47 VAL MG2 1 110 ILE MG . . 6.800 3.767 3.096 4.557 . 0 0 "[ . 1 .]" 1
1394 1 31 ASP HB2 1 89 ILE MD . . 6.400 5.855 4.953 6.520 0.120 9 0 "[ . 1 .]" 1
1395 1 31 ASP HB3 1 89 ILE MD . . 6.400 6.004 4.971 6.493 0.093 12 0 "[ . 1 .]" 1
1396 1 31 ASP HA 1 89 ILE MD . . 6.000 4.740 4.464 5.034 . 0 0 "[ . 1 .]" 1
1397 1 3 TYR HA 1 89 ILE MD . . 6.800 5.422 5.187 5.885 . 0 0 "[ . 1 .]" 1
1398 1 2 LYS HA 1 89 ILE MD . . 6.800 6.193 5.712 6.689 . 0 0 "[ . 1 .]" 1
1399 1 89 ILE MD 1 95 PRO HA . . 6.000 3.689 2.670 5.954 . 0 0 "[ . 1 .]" 1
1400 1 59 LEU MD2 1 70 LYS QE . . 6.400 3.510 2.626 5.382 . 0 0 "[ . 1 .]" 1
1401 1 59 LEU MD1 1 70 LYS QE . . 6.400 2.759 2.138 3.958 . 0 0 "[ . 1 .]" 1
1402 1 1 MET ME 1 90 THR MG . . 6.400 3.361 2.103 6.111 . 0 0 "[ . 1 .]" 1
1403 1 1 MET QG 1 90 THR MG . . 6.800 4.357 2.101 5.758 . 0 0 "[ . 1 .]" 1
1404 1 1 MET ME 1 90 THR HB . . 6.000 5.185 3.865 6.032 0.032 3 0 "[ . 1 .]" 1
1405 1 1 MET ME 1 88 LYS HA . . 6.000 4.412 2.914 5.773 . 0 0 "[ . 1 .]" 1
1406 1 1 MET ME 1 33 SER HB2 . . 6.800 6.541 5.897 6.830 0.030 8 0 "[ . 1 .]" 1
1407 1 1 MET ME 1 33 SER HB3 . . 6.800 6.767 6.143 6.876 0.076 5 0 "[ . 1 .]" 1
1408 1 38 MET ME 1 67 LEU QD . . 6.000 2.486 1.893 4.584 . 0 0 "[ . 1 .]" 1
1409 1 38 MET ME 1 86 LEU QD . . 6.800 2.912 2.157 4.371 . 0 0 "[ . 1 .]" 1
1410 1 27 MET ME 1 116 ALA MB . . 6.000 2.166 1.796 2.911 . 0 0 "[ . 1 .]" 1
1411 1 27 MET QG 1 116 ALA MB . . 6.400 3.550 2.413 4.571 . 0 0 "[ . 1 .]" 1
1412 1 7 ILE MD 1 116 ALA MB . . 7.200 4.129 3.288 4.865 . 0 0 "[ . 1 .]" 1
1413 1 10 GLU HA 1 23 ILE HA . . 4.000 3.092 2.556 3.865 . 0 0 "[ . 1 .]" 1
1414 1 10 GLU HA 1 23 ILE MD . . 6.800 4.125 3.409 5.986 . 0 0 "[ . 1 .]" 1
1415 1 10 GLU HA 1 23 ILE MG . . 6.800 4.029 3.514 5.139 . 0 0 "[ . 1 .]" 1
1416 1 10 GLU HA 1 24 CYS HB2 . . 6.800 3.091 2.798 3.578 . 0 0 "[ . 1 .]" 1
1417 1 10 GLU HA 1 24 CYS HB3 . . 6.800 4.626 4.143 5.137 . 0 0 "[ . 1 .]" 1
1418 1 15 PHE HA 1 21 GLU HA . . 4.400 4.145 3.354 4.482 0.082 11 0 "[ . 1 .]" 1
1419 1 3 TYR HB2 1 37 ALA MB . . 6.400 2.691 2.267 3.092 . 0 0 "[ . 1 .]" 1
1420 1 3 TYR HB3 1 37 ALA MB . . 6.400 3.472 2.993 3.939 . 0 0 "[ . 1 .]" 1
1421 1 54 ALA MB 1 71 TYR HB2 . . 6.000 4.484 3.901 5.202 . 0 0 "[ . 1 .]" 1
1422 1 54 ALA MB 1 71 TYR HB3 . . 6.000 2.965 2.445 3.694 . 0 0 "[ . 1 .]" 1
1423 1 103 VAL HA 1 109 ASP HB2 . . 5.000 4.633 3.380 5.055 0.055 6 0 "[ . 1 .]" 1
1424 1 103 VAL HA 1 109 ASP HB3 . . 5.000 4.212 2.343 5.057 0.057 4 0 "[ . 1 .]" 1
1425 1 27 MET ME 1 99 ASN HB2 . . 6.400 3.991 3.040 6.096 . 0 0 "[ . 1 .]" 1
1426 1 27 MET ME 1 99 ASN HB3 . . 6.400 3.371 2.515 4.990 . 0 0 "[ . 1 .]" 1
1427 1 70 LYS HA 1 83 HIS HE1 . . 6.000 5.835 4.843 6.102 0.102 14 0 "[ . 1 .]" 1
1428 1 70 LYS QE 1 83 HIS HE1 . . 6.000 3.711 2.271 5.500 . 0 0 "[ . 1 .]" 1
1429 1 81 ILE MG 1 83 HIS HE1 . . 5.400 3.280 2.502 4.200 . 0 0 "[ . 1 .]" 1
1430 1 81 ILE MD 1 83 HIS HE1 . . 6.000 3.839 2.484 5.118 . 0 0 "[ . 1 .]" 1
1431 1 22 HIS HE1 1 120 CYS HA . . 5.400 4.609 3.815 5.315 . 0 0 "[ . 1 .]" 1
1432 1 11 SER HB3 1 22 HIS HD2 . . 4.000 3.709 2.382 4.050 0.050 1 0 "[ . 1 .]" 1
1433 1 11 SER HB2 1 22 HIS HD2 . . 4.000 3.153 2.197 4.059 0.059 6 0 "[ . 1 .]" 1
1434 1 13 HIS HD2 1 20 MET ME . . 6.800 3.811 2.044 6.495 . 0 0 "[ . 1 .]" 1
1435 1 13 HIS HE1 1 20 MET HA . . 5.800 5.777 5.423 5.904 0.104 10 0 "[ . 1 .]" 1
1436 1 12 PHE HD1 1 13 HIS HE1 . . 5.400 5.492 5.422 5.550 0.150 8 0 "[ . 1 .]" 1
1437 1 13 HIS HE1 1 22 HIS QB . . 6.000 3.953 3.027 4.985 . 0 0 "[ . 1 .]" 1
1438 1 57 GLU QG 1 59 LEU MD2 . . 6.800 4.198 2.350 5.966 . 0 0 "[ . 1 .]" 1
1439 1 78 LYS HA 1 122 ALA HA . . 5.400 5.120 3.807 5.472 0.072 1 0 "[ . 1 .]" 1
1440 1 13 HIS HE1 1 125 GLU HA . . 5.400 4.372 3.675 5.491 0.091 7 0 "[ . 1 .]" 1
1441 1 117 ILE HA 1 120 CYS HB2 . . 3.400 3.409 3.199 3.463 0.063 3 0 "[ . 1 .]" 1
1442 1 117 ILE HA 1 120 CYS HB3 . . 3.400 2.955 2.641 3.348 . 0 0 "[ . 1 .]" 1
1443 1 34 TYR QD 1 86 LEU QD . . 6.000 4.032 3.116 4.800 . 0 0 "[ . 1 .]" 1
1444 1 34 TYR QE 1 86 LEU QD . . 6.000 3.825 2.348 4.818 . 0 0 "[ . 1 .]" 1
1445 1 34 TYR QE 1 67 LEU QD . . 7.000 4.647 3.301 5.571 . 0 0 "[ . 1 .]" 1
1446 1 34 TYR QE 1 38 MET ME . . 5.000 3.087 2.302 4.635 . 0 0 "[ . 1 .]" 1
1447 1 34 TYR QD 1 38 MET ME . . 6.400 4.131 2.833 5.686 . 0 0 "[ . 1 .]" 1
1448 1 34 TYR QE 1 66 VAL QG . . 5.400 2.474 1.890 3.191 . 0 0 "[ . 1 .]" 1
1449 1 34 TYR QD 1 66 VAL QG . . 6.400 3.369 2.805 3.782 . 0 0 "[ . 1 .]" 1
1450 1 34 TYR QD 1 35 ASP HA . . 4.000 3.367 3.006 3.903 . 0 0 "[ . 1 .]" 1
1451 1 3 TYR QE 1 34 TYR QD . . 3.000 2.877 2.808 2.932 . 0 0 "[ . 1 .]" 1
1452 1 3 TYR QD 1 34 TYR QD . . 4.400 3.534 3.331 3.736 . 0 0 "[ . 1 .]" 1
1453 1 3 TYR QE 1 34 TYR QE . . 5.400 3.773 3.443 4.047 . 0 0 "[ . 1 .]" 1
1454 1 3 TYR QD 1 34 TYR QE . . 5.400 4.829 4.559 5.113 . 0 0 "[ . 1 .]" 1
1455 1 54 ALA HA 1 71 TYR QD . . 6.000 5.058 4.576 5.628 . 0 0 "[ . 1 .]" 1
1456 1 54 ALA MB 1 71 TYR QD . . 5.400 2.725 2.205 3.116 . 0 0 "[ . 1 .]" 1
1457 1 71 TYR QD 1 84 VAL HA . . 5.800 5.621 5.359 5.805 0.005 2 0 "[ . 1 .]" 1
1458 1 71 TYR QE 1 84 VAL HA . . 5.800 5.441 4.944 5.778 . 0 0 "[ . 1 .]" 1
1459 1 71 TYR QD 1 84 VAL MG2 . . 5.000 2.579 2.282 2.739 . 0 0 "[ . 1 .]" 1
1460 1 71 TYR QE 1 84 VAL MG2 . . 5.400 2.342 2.014 2.673 . 0 0 "[ . 1 .]" 1
1461 1 71 TYR QE 1 84 VAL MG1 . . 6.400 3.730 3.429 4.120 . 0 0 "[ . 1 .]" 1
1462 1 71 TYR QE 1 84 VAL HB . . 3.400 2.945 2.502 3.397 . 0 0 "[ . 1 .]" 1
1463 1 71 TYR QD 1 82 VAL HB . . 3.400 3.115 2.754 3.436 0.036 7 0 "[ . 1 .]" 1
1464 1 71 TYR QD 1 82 VAL MG1 . . 6.000 2.968 2.541 3.511 . 0 0 "[ . 1 .]" 1
1465 1 56 VAL HA 1 71 TYR QD . . 3.400 3.405 3.285 3.448 0.048 11 0 "[ . 1 .]" 1
1466 1 56 VAL HA 1 71 TYR QE . . 4.800 4.567 4.415 4.757 . 0 0 "[ . 1 .]" 1
1467 1 56 VAL HB 1 71 TYR QD . . 3.400 2.692 2.462 2.932 . 0 0 "[ . 1 .]" 1
1468 1 56 VAL HB 1 71 TYR QE . . 4.800 2.970 2.622 3.337 . 0 0 "[ . 1 .]" 1
1469 1 56 VAL MG1 1 71 TYR QD . . 5.400 4.207 4.037 4.442 . 0 0 "[ . 1 .]" 1
1470 1 56 VAL MG1 1 71 TYR QE . . 5.400 3.881 3.394 4.243 . 0 0 "[ . 1 .]" 1
1471 1 56 VAL MG2 1 71 TYR QD . . 5.400 3.219 2.856 3.408 . 0 0 "[ . 1 .]" 1
1472 1 56 VAL MG2 1 71 TYR QE . . 5.400 2.828 2.613 3.090 . 0 0 "[ . 1 .]" 1
1473 1 46 ARG HA 1 71 TYR QE . . 5.800 5.808 5.734 5.875 0.075 13 0 "[ . 1 .]" 1
1474 1 45 ASP HA 1 71 TYR QE . . 3.400 2.622 2.142 2.966 . 0 0 "[ . 1 .]" 1
1475 1 45 ASP HB3 1 71 TYR QE . . 6.400 4.524 4.313 4.861 . 0 0 "[ . 1 .]" 1
1476 1 45 ASP HB2 1 71 TYR QE . . 5.400 3.520 3.200 3.911 . 0 0 "[ . 1 .]" 1
1477 1 45 ASP HA 1 71 TYR QD . . 5.000 4.446 4.079 4.823 . 0 0 "[ . 1 .]" 1
1478 1 45 ASP HA 1 71 TYR HH . . 3.600 2.863 2.378 3.189 . 0 0 "[ . 1 .]" 1
1479 1 45 ASP HB2 1 71 TYR HH . . 3.200 2.106 2.033 2.190 . 0 0 "[ . 1 .]" 1
1480 1 45 ASP HB3 1 71 TYR HH . . 3.600 3.591 3.529 3.629 0.029 8 0 "[ . 1 .]" 1
1481 1 44 VAL MG1 1 71 TYR QE . . 6.400 4.546 3.897 5.100 . 0 0 "[ . 1 .]" 1
1482 1 48 ILE MG 1 71 TYR QD . . 5.400 2.968 2.331 3.756 . 0 0 "[ . 1 .]" 1
1483 1 48 ILE MG 1 71 TYR QE . . 5.800 3.902 3.346 4.887 . 0 0 "[ . 1 .]" 1
1484 1 48 ILE MD 1 71 TYR QD . . 6.400 3.453 3.061 4.002 . 0 0 "[ . 1 .]" 1
1485 1 48 ILE MD 1 71 TYR QE . . 6.400 3.453 3.057 4.365 . 0 0 "[ . 1 .]" 1
1486 1 71 TYR QD 1 83 HIS HA . . 5.400 4.233 3.992 4.581 . 0 0 "[ . 1 .]" 1
1487 1 70 LYS HA 1 71 TYR QD . . 4.000 3.560 2.886 3.984 . 0 0 "[ . 1 .]" 1
1488 1 69 ARG QB 1 71 TYR QD . . 5.000 3.928 2.951 4.607 . 0 0 "[ . 1 .]" 1
1489 1 69 ARG QG 1 71 TYR QD . . 5.000 4.004 3.396 5.040 0.040 13 0 "[ . 1 .]" 1
1490 1 69 ARG QB 1 71 TYR QE . . 5.000 2.922 2.073 3.957 . 0 0 "[ . 1 .]" 1
1491 1 69 ARG QG 1 71 TYR QE . . 5.000 2.941 2.215 3.861 . 0 0 "[ . 1 .]" 1
1492 1 71 TYR QD 1 73 LEU MD2 . . 6.800 3.799 3.368 4.614 . 0 0 "[ . 1 .]" 1
1493 1 71 TYR QE 1 73 LEU MD2 . . 6.800 5.313 4.823 5.949 . 0 0 "[ . 1 .]" 1
1494 1 1 MET HA 1 3 TYR QE . . 5.800 5.176 3.764 5.828 0.028 15 0 "[ . 1 .]" 1
1495 1 1 MET HA 1 3 TYR QD . . 6.400 5.493 4.405 5.969 . 0 0 "[ . 1 .]" 1
1496 1 3 TYR QD 1 33 SER HA . . 3.600 2.864 2.445 3.252 . 0 0 "[ . 1 .]" 1
1497 1 3 TYR QD 1 33 SER HB2 . . 5.400 4.691 4.179 5.329 . 0 0 "[ . 1 .]" 1
1498 1 3 TYR QD 1 33 SER HB3 . . 5.400 5.065 4.584 5.383 . 0 0 "[ . 1 .]" 1
1499 1 3 TYR QE 1 33 SER HA . . 5.000 4.408 4.015 4.938 . 0 0 "[ . 1 .]" 1
1500 1 3 TYR QE 1 33 SER HB2 . . 6.400 5.220 4.559 6.265 . 0 0 "[ . 1 .]" 1
1501 1 3 TYR QE 1 33 SER HB3 . . 6.400 5.985 5.363 6.383 . 0 0 "[ . 1 .]" 1
1502 1 3 TYR QE 1 34 TYR HA . . 4.000 3.793 3.356 3.910 . 0 0 "[ . 1 .]" 1
1503 1 3 TYR QE 1 34 TYR HB2 . . 3.600 2.142 2.036 2.299 . 0 0 "[ . 1 .]" 1
1504 1 3 TYR QE 1 34 TYR HB3 . . 3.600 3.590 3.530 3.638 0.038 15 0 "[ . 1 .]" 1
1505 1 3 TYR QD 1 34 TYR HB2 . . 5.000 3.178 2.951 3.392 . 0 0 "[ . 1 .]" 1
1506 1 3 TYR QD 1 34 TYR HB3 . . 5.000 4.473 4.266 4.629 . 0 0 "[ . 1 .]" 1
1507 1 2 LYS HA 1 3 TYR QD . . 3.400 2.973 2.658 3.296 . 0 0 "[ . 1 .]" 1
1508 1 2 LYS HA 1 3 TYR QE . . 5.000 4.547 4.028 5.008 0.008 9 0 "[ . 1 .]" 1
1509 1 3 TYR QD 1 88 LYS HA . . 3.400 3.087 2.513 3.322 . 0 0 "[ . 1 .]" 1
1510 1 3 TYR QE 1 88 LYS HA . . 4.000 3.805 3.504 3.976 . 0 0 "[ . 1 .]" 1
1511 1 3 TYR QD 1 86 LEU QD . . 6.400 3.706 3.323 4.371 . 0 0 "[ . 1 .]" 1
1512 1 3 TYR QE 1 86 LEU QD . . 6.400 4.611 3.897 5.477 . 0 0 "[ . 1 .]" 1
1513 1 68 TYR HD2 1 85 LYS HA . . 5.000 4.754 4.146 5.049 0.049 4 0 "[ . 1 .]" 1
1514 1 68 TYR HE1 1 83 HIS HA . . 3.000 3.050 3.016 3.108 0.108 9 0 "[ . 1 .]" 1
1515 1 68 TYR HE1 1 83 HIS HB3 . . 3.600 2.560 2.179 2.955 . 0 0 "[ . 1 .]" 1
1516 1 68 TYR HE1 1 83 HIS HB2 . . 4.400 4.142 3.830 4.407 0.007 4 0 "[ . 1 .]" 1
1517 1 61 GLY HA2 1 68 TYR HD2 . . 4.000 2.686 2.205 3.465 . 0 0 "[ . 1 .]" 1
1518 1 61 GLY HA3 1 68 TYR HD2 . . 4.000 3.573 2.890 4.017 0.017 4 0 "[ . 1 .]" 1
1519 1 68 TYR HE1 1 70 LYS HA . . 4.400 3.578 3.258 4.014 . 0 0 "[ . 1 .]" 1
1520 1 68 TYR HD1 1 70 LYS HA . . 5.400 4.078 3.758 4.506 . 0 0 "[ . 1 .]" 1
1521 1 59 LEU MD1 1 68 TYR HE1 . . 5.800 3.780 2.742 4.619 . 0 0 "[ . 1 .]" 1
1522 1 59 LEU MD1 1 68 TYR HD1 . . 6.400 3.107 2.632 3.872 . 0 0 "[ . 1 .]" 1
1523 1 59 LEU MD2 1 68 TYR HE1 . . 6.800 4.754 2.937 6.235 . 0 0 "[ . 1 .]" 1
1524 1 59 LEU MD2 1 68 TYR HD1 . . 5.800 4.386 2.863 5.603 . 0 0 "[ . 1 .]" 1
1525 1 52 PHE HE2 1 75 LYS HA . . 5.800 5.865 5.812 5.920 0.120 3 0 "[ . 1 .]" 1
1526 1 52 PHE HD2 1 75 LYS HA . . 6.400 4.116 3.846 4.313 . 0 0 "[ . 1 .]" 1
1527 1 51 SER HA 1 52 PHE HD1 . . 4.400 4.291 4.053 4.413 0.013 2 0 "[ . 1 .]" 1
1528 1 51 SER HA 1 52 PHE HE1 . . 5.000 5.141 5.124 5.165 0.165 1 0 "[ . 1 .]" 1
1529 1 51 SER HB2 1 52 PHE HD1 . . 5.000 2.559 2.049 3.898 . 0 0 "[ . 1 .]" 1
1530 1 51 SER HB3 1 52 PHE HD1 . . 5.000 3.073 2.010 3.588 . 0 0 "[ . 1 .]" 1
1531 1 51 SER HB2 1 52 PHE HE1 . . 5.400 2.782 2.306 3.888 . 0 0 "[ . 1 .]" 1
1532 1 51 SER HB3 1 52 PHE HE1 . . 5.400 2.938 2.310 3.298 . 0 0 "[ . 1 .]" 1
1533 1 49 LYS HA 1 52 PHE HD1 . . 5.400 5.328 5.086 5.448 0.048 10 0 "[ . 1 .]" 1
1534 1 48 ILE HA 1 52 PHE HD1 . . 2.600 2.256 2.086 2.406 . 0 0 "[ . 1 .]" 1
1535 1 48 ILE HA 1 52 PHE HE1 . . 3.600 3.517 3.261 3.655 0.055 9 0 "[ . 1 .]" 1
1536 1 52 PHE HE1 1 118 GLU QG . . 6.000 4.761 4.025 5.624 . 0 0 "[ . 1 .]" 1
1537 1 52 PHE HD1 1 118 GLU QG . . 6.800 6.377 5.653 6.847 0.047 14 0 "[ . 1 .]" 1
1538 1 52 PHE HE2 1 117 ILE MG . . 5.400 3.592 2.457 4.799 . 0 0 "[ . 1 .]" 1
1539 1 52 PHE HD2 1 117 ILE MG . . 5.400 4.307 3.267 5.385 . 0 0 "[ . 1 .]" 1
1540 1 48 ILE MG 1 52 PHE HD1 . . 5.400 3.339 2.670 3.636 . 0 0 "[ . 1 .]" 1
1541 1 48 ILE MG 1 52 PHE HE1 . . 6.400 4.563 3.948 4.951 . 0 0 "[ . 1 .]" 1
1542 1 52 PHE HD2 1 73 LEU MD1 . . 6.000 3.605 2.156 5.404 . 0 0 "[ . 1 .]" 1
1543 1 52 PHE HE2 1 73 LEU MD1 . . 7.400 5.047 3.646 6.782 . 0 0 "[ . 1 .]" 1
1544 1 12 PHE HD2 1 81 ILE HA . . 5.000 4.103 3.579 5.019 0.019 14 0 "[ . 1 .]" 1
1545 1 12 PHE HE2 1 81 ILE HA . . 5.000 4.690 3.932 5.136 0.136 8 0 "[ . 1 .]" 1
1546 1 12 PHE HE1 1 81 ILE MD . . 6.800 6.317 5.562 6.814 0.014 6 0 "[ . 1 .]" 1
1547 1 15 PHE HD1 1 18 HIS HA . . 6.000 5.158 4.005 6.091 0.091 15 0 "[ . 1 .]" 1
1548 1 15 PHE HE1 1 18 HIS HA . . 6.000 5.157 3.518 6.076 0.076 2 0 "[ . 1 .]" 1
1549 1 15 PHE HD1 1 21 GLU HA . . 5.000 4.601 3.503 5.072 0.072 2 0 "[ . 1 .]" 1
1550 1 14 ARG HA 1 15 PHE HD2 . . 5.800 5.133 3.940 5.954 0.154 1 0 "[ . 1 .]" 1
1551 1 15 PHE HD1 1 20 MET HA . . 6.800 6.565 5.824 6.893 0.093 5 0 "[ . 1 .]" 1
1552 1 15 PHE HD1 1 21 GLU QB . . 5.800 2.869 2.006 4.272 . 0 0 "[ . 1 .]" 1
1553 1 44 VAL HA 1 106 PHE HE1 . . 6.400 4.260 3.789 4.736 . 0 0 "[ . 1 .]" 1
1554 1 44 VAL HA 1 106 PHE HD1 . . 6.400 6.331 5.916 6.493 0.093 3 0 "[ . 1 .]" 1
1555 1 44 VAL MG2 1 106 PHE HE1 . . 6.000 3.248 2.443 4.157 . 0 0 "[ . 1 .]" 1
1556 1 44 VAL MG2 1 106 PHE HD1 . . 6.800 4.327 3.672 4.997 . 0 0 "[ . 1 .]" 1
1557 1 47 VAL MG2 1 106 PHE HZ . . 6.000 3.387 2.579 5.366 . 0 0 "[ . 1 .]" 1
1558 1 47 VAL MG2 1 106 PHE HE1 . . 6.800 4.360 3.699 4.817 . 0 0 "[ . 1 .]" 1
1559 1 106 PHE HE1 1 110 ILE MG . . 6.000 4.251 2.943 5.222 . 0 0 "[ . 1 .]" 1
1560 1 106 PHE HE1 1 110 ILE MD . . 6.400 3.227 2.229 5.115 . 0 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 6
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 432.669
_Distance_constraint_stats_list.Viol_max 2.333
_Distance_constraint_stats_list.Viol_rms 0.5570
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3205
_Distance_constraint_stats_list.Viol_average_violations_only 0.8012
_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 11 SER 19.760 2.333 6 14 "[*****+* -******]"
1 13 HIS 3.642 0.717 8 4 "[ * .* + 1 -.]"
1 15 PHE 9.054 1.663 15 7 "[ * **** 1 -+]"
1 20 MET 5.475 1.663 15 4 "[ * * 1 -+]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 22 HIS 19.760 2.333 6 14 "[*****+* -******]"
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 11 SER H 1 22 HIS HD2 . . 4.000 3.378 2.041 4.972 0.972 2 2 "[ + . - .]" 2
2 1 11 SER H 1 22 HIS H . . 4.000 5.202 4.379 6.333 2.333 6 13 "[* ***+* -******]" 2
3 1 13 HIS QB 1 21 GLU HA . . 4.000 2.925 2.179 3.882 . 0 0 "[ . 1 .]" 2
4 1 13 HIS QB 1 20 MET HA . . 4.400 3.110 2.388 4.432 0.032 15 0 "[ . 1 .]" 2
5 1 15 PHE H 1 20 MET QB . . 4.800 5.030 4.036 6.463 1.663 15 4 "[ * * 1 -+]" 2
6 1 13 HIS QB 1 15 PHE H . . 4.800 4.904 4.070 5.517 0.717 8 4 "[ * .* + 1 -.]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 440
_Distance_constraint_stats_list.Viol_total 1188.462
_Distance_constraint_stats_list.Viol_max 1.550
_Distance_constraint_stats_list.Viol_rms 0.2566
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1321
_Distance_constraint_stats_list.Viol_average_violations_only 0.1801
_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 4 ASP 2.731 0.264 3 0 "[ . 1 .]"
1 5 VAL 7.353 0.333 9 0 "[ . 1 .]"
1 6 VAL 8.886 0.336 1 0 "[ . 1 .]"
1 7 ILE 5.112 0.295 5 0 "[ . 1 .]"
1 8 ILE 4.078 0.326 1 0 "[ . 1 .]"
1 10 GLU 4.949 0.318 6 0 "[ . 1 .]"
1 27 MET 5.112 0.295 5 0 "[ . 1 .]"
1 29 ILE 7.353 0.333 9 0 "[ . 1 .]"
1 45 ASP 11.941 1.550 11 8 "[ ***. -*1+ * *]"
1 57 GLU 1.183 0.154 7 0 "[ . 1 .]"
1 62 GLU 0.018 0.018 7 0 "[ . 1 .]"
1 65 ASP 0.018 0.018 7 0 "[ . 1 .]"
1 67 LEU 29.294 1.084 7 15 [***-**+********]
1 69 ARG 1.497 0.116 10 0 "[ . 1 .]"
1 70 LYS 1.183 0.154 7 0 "[ . 1 .]"
1 71 TYR 13.722 1.550 11 8 "[ ***. -*1+ * *]"
1 73 LEU 0.408 0.065 8 0 "[ . 1 .]"
1 80 GLY 0.408 0.065 8 0 "[ . 1 .]"
1 81 ILE 4.949 0.318 6 0 "[ . 1 .]"
1 82 VAL 1.781 0.141 14 0 "[ . 1 .]"
1 83 HIS 4.078 0.326 1 0 "[ . 1 .]"
1 84 VAL 1.497 0.116 10 0 "[ . 1 .]"
1 85 LYS 8.886 0.336 1 0 "[ . 1 .]"
1 86 LEU 29.294 1.084 7 15 [***-**+********]
1 87 ARG 2.731 0.264 3 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 45 ASP OD1 1 71 TYR HH . . 2.200 2.811 1.761 3.750 1.550 11 8 "[ ***. -*1+ * *]" 3
2 1 4 ASP H 1 87 ARG O . . 1.800 1.757 1.716 1.792 . 0 0 "[ . 1 .]" 3
3 1 4 ASP N 1 87 ARG O . . 2.700 2.722 2.664 2.756 0.056 7 0 "[ . 1 .]" 3
4 1 5 VAL H 1 29 ILE O . . 1.800 1.899 1.779 2.114 0.314 15 0 "[ . 1 .]" 3
5 1 5 VAL N 1 29 ILE O . . 2.700 2.841 2.705 3.033 0.333 9 0 "[ . 1 .]" 3
6 1 6 VAL H 1 85 LYS O . . 1.800 1.945 1.838 2.091 0.291 4 0 "[ . 1 .]" 3
7 1 6 VAL N 1 85 LYS O . . 2.700 2.893 2.802 2.989 0.289 1 0 "[ . 1 .]" 3
8 1 7 ILE H 1 27 MET O . . 1.800 1.850 1.785 1.947 0.147 14 0 "[ . 1 .]" 3
9 1 7 ILE N 1 27 MET O . . 2.700 2.807 2.715 2.918 0.218 9 0 "[ . 1 .]" 3
10 1 8 ILE H 1 83 HIS O . . 1.800 1.803 1.751 1.952 0.152 12 0 "[ . 1 .]" 3
11 1 8 ILE N 1 83 HIS O . . 2.700 2.772 2.696 2.910 0.210 12 0 "[ . 1 .]" 3
12 1 10 GLU H 1 81 ILE O . . 1.800 1.943 1.795 2.097 0.297 6 0 "[ . 1 .]" 3
13 1 10 GLU N 1 81 ILE O . . 2.700 2.886 2.766 3.018 0.318 6 0 "[ . 1 .]" 3
14 1 5 VAL O 1 29 ILE H . . 1.800 1.887 1.760 1.994 0.194 6 0 "[ . 1 .]" 3
15 1 5 VAL O 1 29 ILE N . . 2.700 2.857 2.740 2.959 0.259 6 0 "[ . 1 .]" 3
16 1 7 ILE O 1 27 MET H . . 1.800 1.864 1.771 2.095 0.295 5 0 "[ . 1 .]" 3
17 1 7 ILE O 1 27 MET N . . 2.700 2.813 2.745 2.953 0.253 9 0 "[ . 1 .]" 3
18 1 67 LEU H 1 86 LEU O . . 1.800 2.712 2.314 2.866 1.066 2 15 [*+*-***********] 3
19 1 67 LEU N 1 86 LEU O . . 2.700 3.618 3.252 3.784 1.084 7 15 [***-**+********] 3
20 1 69 ARG H 1 84 VAL O . . 1.800 1.766 1.725 1.796 . 0 0 "[ . 1 .]" 3
21 1 69 ARG N 1 84 VAL O . . 2.700 2.722 2.665 2.761 0.061 3 0 "[ . 1 .]" 3
22 1 57 GLU O 1 70 LYS H . . 1.800 1.809 1.756 1.920 0.120 13 0 "[ . 1 .]" 3
23 1 57 GLU O 1 70 LYS N . . 2.700 2.757 2.705 2.854 0.154 7 0 "[ . 1 .]" 3
24 1 71 TYR H 1 82 VAL O . . 1.800 1.799 1.762 1.941 0.141 14 0 "[ . 1 .]" 3
25 1 71 TYR N 1 82 VAL O . . 2.700 2.753 2.721 2.806 0.106 14 0 "[ . 1 .]" 3
26 1 73 LEU H 1 80 GLY O . . 1.800 1.775 1.729 1.819 0.019 8 0 "[ . 1 .]" 3
27 1 73 LEU N 1 80 GLY O . . 2.700 2.721 2.675 2.765 0.065 8 0 "[ . 1 .]" 3
28 1 71 TYR O 1 82 VAL H . . 1.800 1.793 1.759 1.827 0.027 11 0 "[ . 1 .]" 3
29 1 71 TYR O 1 82 VAL N . . 2.700 2.752 2.724 2.771 0.071 10 0 "[ . 1 .]" 3
30 1 8 ILE O 1 83 HIS H . . 1.800 1.855 1.770 2.055 0.255 1 0 "[ . 1 .]" 3
31 1 8 ILE O 1 83 HIS N . . 2.700 2.817 2.694 3.026 0.326 1 0 "[ . 1 .]" 3
32 1 69 ARG O 1 84 VAL H . . 1.800 1.801 1.774 1.880 0.080 10 0 "[ . 1 .]" 3
33 1 69 ARG O 1 84 VAL N . . 2.700 2.764 2.719 2.816 0.116 10 0 "[ . 1 .]" 3
34 1 6 VAL O 1 85 LYS H . . 1.800 1.889 1.809 2.069 0.269 1 0 "[ . 1 .]" 3
35 1 6 VAL O 1 85 LYS N . . 2.700 2.866 2.793 3.036 0.336 1 0 "[ . 1 .]" 3
36 1 67 LEU O 1 86 LEU H . . 1.800 1.837 1.787 1.997 0.197 2 0 "[ . 1 .]" 3
37 1 67 LEU O 1 86 LEU N . . 2.700 2.785 2.735 2.887 0.187 6 0 "[ . 1 .]" 3
38 1 4 ASP O 1 87 ARG H . . 1.800 1.847 1.747 2.032 0.232 3 0 "[ . 1 .]" 3
39 1 4 ASP O 1 87 ARG N . . 2.700 2.790 2.674 2.964 0.264 3 0 "[ . 1 .]" 3
40 1 62 GLU O 1 65 ASP H . . 2.400 1.942 1.670 2.418 0.018 7 0 "[ . 1 .]" 3
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