NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601642 |
2rv9   |
11591 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rv9
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 577
_Distance_constraint_stats_list.Viol_count 824
_Distance_constraint_stats_list.Viol_total 567.401
_Distance_constraint_stats_list.Viol_max 0.398
_Distance_constraint_stats_list.Viol_rms 0.0306
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0689
_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 7 ASN 0.802 0.084 1 0 "[ . 1]"
1 8 LEU 0.016 0.014 2 0 "[ . 1]"
1 9 ALA 1.005 0.169 10 0 "[ . 1]"
1 10 LEU 1.837 0.179 10 0 "[ . 1]"
1 11 ASN 0.053 0.024 10 0 "[ . 1]"
1 12 LYS 1.786 0.168 4 0 "[ . 1]"
1 13 THR 2.524 0.168 4 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 15 THR 0.533 0.112 6 0 "[ . 1]"
1 16 ALA 0.822 0.144 6 0 "[ . 1]"
1 17 SER 0.218 0.056 6 0 "[ . 1]"
1 18 SER 0.254 0.077 6 0 "[ . 1]"
1 19 ILE 0.531 0.086 3 0 "[ . 1]"
1 20 GLU 1.274 0.215 10 0 "[ . 1]"
1 21 GLY 0.508 0.096 9 0 "[ . 1]"
1 22 ALA 1.715 0.198 8 0 "[ . 1]"
1 23 GLY 0.714 0.198 8 0 "[ . 1]"
1 24 PHE 1.555 0.195 9 0 "[ . 1]"
1 25 GLU 0.142 0.102 8 0 "[ . 1]"
1 26 ALA 0.172 0.080 6 0 "[ . 1]"
1 27 SER 0.049 0.048 7 0 "[ . 1]"
1 28 ARG 0.071 0.047 5 0 "[ . 1]"
1 29 ALA 0.602 0.245 6 0 "[ . 1]"
1 30 PHE 0.051 0.039 6 0 "[ . 1]"
1 31 ASP 0.448 0.071 4 0 "[ . 1]"
1 32 GLY 0.000 0.000 . 0 "[ . 1]"
1 33 SER 0.448 0.071 4 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 35 THR 0.062 0.023 4 0 "[ . 1]"
1 36 THR 0.133 0.047 5 0 "[ . 1]"
1 37 ARG 0.170 0.055 9 0 "[ . 1]"
1 38 TRP 0.411 0.084 5 0 "[ . 1]"
1 39 ALA 1.067 0.195 9 0 "[ . 1]"
1 40 SER 0.447 0.112 10 0 "[ . 1]"
1 41 ALA 1.165 0.215 10 0 "[ . 1]"
1 42 GLU 0.276 0.063 7 0 "[ . 1]"
1 43 GLY 0.256 0.164 3 0 "[ . 1]"
1 44 VAL 0.847 0.164 3 0 "[ . 1]"
1 45 ASP 0.116 0.040 3 0 "[ . 1]"
1 46 PRO 0.047 0.047 3 0 "[ . 1]"
1 47 GLN 0.236 0.081 6 0 "[ . 1]"
1 48 TRP 0.504 0.077 3 0 "[ . 1]"
1 49 ILE 1.162 0.245 6 0 "[ . 1]"
1 50 TYR 0.886 0.144 6 0 "[ . 1]"
1 51 VAL 0.018 0.018 9 0 "[ . 1]"
1 52 ASN 1.546 0.169 10 0 "[ . 1]"
1 53 LEU 1.789 0.229 5 0 "[ . 1]"
1 54 GLY 0.000 0.000 . 0 "[ . 1]"
1 55 SER 4.995 0.229 5 0 "[ . 1]"
1 56 SER 0.000 0.000 . 0 "[ . 1]"
1 57 GLN 1.071 0.154 1 0 "[ . 1]"
1 58 THR 2.267 0.398 8 0 "[ . 1]"
1 59 VAL 1.718 0.398 8 0 "[ . 1]"
1 60 ASN 1.609 0.142 5 0 "[ . 1]"
1 61 ARG 1.835 0.142 5 0 "[ . 1]"
1 62 VAL 0.280 0.083 9 0 "[ . 1]"
1 63 LYS 0.842 0.164 10 0 "[ . 1]"
1 64 LEU 0.144 0.045 2 0 "[ . 1]"
1 65 ASN 0.385 0.115 5 0 "[ . 1]"
1 66 TRP 0.000 0.000 . 0 "[ . 1]"
1 67 GLU 1.025 0.139 4 0 "[ . 1]"
1 68 ALA 0.932 0.139 4 0 "[ . 1]"
1 69 ALA 0.274 0.096 4 0 "[ . 1]"
1 70 TYR 0.274 0.096 4 0 "[ . 1]"
1 71 ALA 0.000 0.000 . 0 "[ . 1]"
1 72 SER 1.207 0.120 10 0 "[ . 1]"
1 73 SER 3.832 0.220 8 0 "[ . 1]"
1 74 TYR 0.707 0.125 8 0 "[ . 1]"
1 75 THR 0.286 0.147 6 0 "[ . 1]"
1 76 ILE 2.522 0.227 4 0 "[ . 1]"
1 77 GLN 2.427 0.160 7 0 "[ . 1]"
1 78 VAL 0.727 0.096 9 0 "[ . 1]"
1 79 SER 0.082 0.035 4 0 "[ . 1]"
1 80 ASN 0.952 0.148 2 0 "[ . 1]"
1 81 ASP 1.565 0.126 2 0 "[ . 1]"
1 82 SER 0.000 0.000 . 0 "[ . 1]"
1 84 THR 0.000 0.000 . 0 "[ . 1]"
1 85 PRO 0.738 0.106 2 0 "[ . 1]"
1 86 THR 0.000 0.000 . 0 "[ . 1]"
1 87 ASN 0.393 0.329 5 0 "[ . 1]"
1 88 TRP 0.297 0.087 3 0 "[ . 1]"
1 89 THR 0.058 0.058 7 0 "[ . 1]"
1 90 THR 0.000 0.000 . 0 "[ . 1]"
1 91 VAL 1.154 0.152 9 0 "[ . 1]"
1 92 TYR 3.557 0.227 4 0 "[ . 1]"
1 93 THR 1.530 0.151 7 0 "[ . 1]"
1 94 THR 1.442 0.136 5 0 "[ . 1]"
1 95 THR 1.107 0.086 10 0 "[ . 1]"
1 96 THR 0.922 0.110 9 0 "[ . 1]"
1 97 GLY 0.090 0.043 1 0 "[ . 1]"
1 98 ASP 0.066 0.043 1 0 "[ . 1]"
1 100 GLY 0.238 0.084 2 0 "[ . 1]"
1 101 ILE 0.242 0.084 2 0 "[ . 1]"
1 102 ASP 0.000 0.000 . 0 "[ . 1]"
1 103 ASP 0.712 0.061 3 0 "[ . 1]"
1 104 ILE 0.634 0.061 3 0 "[ . 1]"
1 105 THR 0.565 0.194 2 0 "[ . 1]"
1 106 PHE 0.000 0.000 . 0 "[ . 1]"
1 107 THR 0.000 0.000 . 0 "[ . 1]"
1 108 ALA 1.707 0.191 4 0 "[ . 1]"
1 109 ARG 2.187 0.191 4 0 "[ . 1]"
1 110 THR 2.024 0.104 4 0 "[ . 1]"
1 111 ALA 0.837 0.121 1 0 "[ . 1]"
1 112 LYS 0.000 0.000 . 0 "[ . 1]"
1 113 TYR 1.393 0.148 2 0 "[ . 1]"
1 114 VAL 1.034 0.125 3 0 "[ . 1]"
1 115 ARG 4.033 0.207 7 0 "[ . 1]"
1 116 VAL 0.635 0.139 4 0 "[ . 1]"
1 117 HIS 0.000 0.000 . 0 "[ . 1]"
1 118 GLY 0.220 0.081 6 0 "[ . 1]"
1 119 THR 0.864 0.125 8 0 "[ . 1]"
1 120 VAL 1.392 0.220 8 0 "[ . 1]"
1 121 ARG 0.612 0.118 5 0 "[ . 1]"
1 122 GLY 0.000 0.000 . 0 "[ . 1]"
1 123 THR 0.612 0.118 5 0 "[ . 1]"
1 124 PRO 0.000 0.000 . 0 "[ . 1]"
1 125 TYR 0.000 0.000 . 0 "[ . 1]"
1 126 GLY 0.276 0.063 7 0 "[ . 1]"
1 127 TYR 0.000 0.000 . 0 "[ . 1]"
1 128 SER 0.534 0.218 5 0 "[ . 1]"
1 129 LEU 0.462 0.156 5 0 "[ . 1]"
1 130 TRP 0.287 0.055 9 0 "[ . 1]"
1 131 GLU 0.000 0.000 . 0 "[ . 1]"
1 132 PHE 0.000 0.000 . 0 "[ . 1]"
1 133 GLU 1.163 0.164 10 0 "[ . 1]"
1 134 VAL 0.000 0.000 . 0 "[ . 1]"
1 135 TYR 0.889 0.179 10 0 "[ . 1]"
1 136 GLY 0.006 0.006 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ASN H 1 12 LYS H . . 3.170 1.746 1.666 1.828 . 0 0 "[ . 1]" 1
2 1 26 ALA H 1 27 SER H . . 3.210 2.188 1.847 2.773 . 0 0 "[ . 1]" 1
3 1 29 ALA H 1 30 PHE H . . 2.990 2.741 2.534 3.002 0.012 10 0 "[ . 1]" 1
4 1 12 LYS HA 1 13 THR H . . 2.800 2.647 2.608 2.733 . 0 0 "[ . 1]" 1
5 1 12 LYS HB2 1 13 THR H . . 3.520 3.645 3.569 3.688 0.168 4 0 "[ . 1]" 1
6 1 12 LYS HB3 1 13 THR H . . 3.020 2.162 2.101 2.215 . 0 0 "[ . 1]" 1
7 1 13 THR HA 1 14 ALA H . . 2.590 2.217 2.214 2.224 . 0 0 "[ . 1]" 1
8 1 14 ALA HA 1 15 THR H . . 2.900 2.323 2.200 2.386 . 0 0 "[ . 1]" 1
9 1 15 THR HA 1 16 ALA H . . 2.650 2.188 2.147 2.275 . 0 0 "[ . 1]" 1
10 1 15 THR HB 1 16 ALA H . . 4.040 3.587 3.160 3.750 . 0 0 "[ . 1]" 1
11 1 16 ALA HA 1 17 SER H . . 3.140 2.232 2.167 2.372 . 0 0 "[ . 1]" 1
12 1 18 SER HB3 1 19 ILE H . . 3.240 3.143 2.789 3.317 0.077 6 0 "[ . 1]" 1
13 1 18 SER HA 1 19 ILE H . . 2.990 2.382 2.254 2.672 . 0 0 "[ . 1]" 1
14 1 18 SER HB2 1 19 ILE H . . 3.240 2.830 2.162 3.226 . 0 0 "[ . 1]" 1
15 1 20 GLU HB2 1 21 GLY H . . 4.200 4.003 2.949 4.188 . 0 0 "[ . 1]" 1
16 1 20 GLU HB3 1 21 GLY H . . 3.700 3.074 2.741 3.731 0.031 2 0 "[ . 1]" 1
17 1 20 GLU HA 1 21 GLY H . . 3.420 3.464 3.440 3.516 0.096 9 0 "[ . 1]" 1
18 1 21 GLY HA2 1 22 ALA H . . 3.460 3.062 2.255 3.247 . 0 0 "[ . 1]" 1
19 1 21 GLY HA3 1 22 ALA H . . 3.460 2.261 2.136 2.935 . 0 0 "[ . 1]" 1
20 1 22 ALA HA 1 23 GLY H . . 2.800 2.567 2.282 2.998 0.198 8 0 "[ . 1]" 1
21 1 23 GLY HA2 1 24 PHE H . . 3.550 3.039 2.639 3.281 . 0 0 "[ . 1]" 1
22 1 36 THR HA 1 37 ARG H . . 3.050 2.277 2.194 2.294 . 0 0 "[ . 1]" 1
23 1 36 THR HB 1 37 ARG H . . 3.550 3.104 2.839 3.238 . 0 0 "[ . 1]" 1
24 1 37 ARG HA 1 38 TRP H . . 2.990 2.461 2.321 2.503 . 0 0 "[ . 1]" 1
25 1 40 SER HB3 1 41 ALA H . . 3.640 3.250 2.893 3.752 0.112 10 0 "[ . 1]" 1
26 1 40 SER HB2 1 41 ALA H . . 3.640 3.558 3.348 3.751 0.111 10 0 "[ . 1]" 1
27 1 41 ALA HA 1 42 GLU H . . 2.740 2.418 2.183 2.653 . 0 0 "[ . 1]" 1
28 1 42 GLU HA 1 43 GLY H . . 3.050 2.509 2.411 2.757 . 0 0 "[ . 1]" 1
29 1 44 VAL HA 1 45 ASP H . . 2.740 2.160 2.141 2.210 . 0 0 "[ . 1]" 1
30 1 46 PRO HB2 1 47 GLN H . . 3.550 2.549 2.395 2.879 . 0 0 "[ . 1]" 1
31 1 46 PRO HB3 1 47 GLN H . . 3.550 3.424 3.347 3.597 0.047 3 0 "[ . 1]" 1
32 1 46 PRO HA 1 47 GLN H . . 3.360 2.429 2.303 2.491 . 0 0 "[ . 1]" 1
33 1 47 GLN HA 1 48 TRP H . . 3.240 2.258 2.165 2.368 . 0 0 "[ . 1]" 1
34 1 49 ILE HA 1 50 TYR H . . 3.110 2.163 2.152 2.197 . 0 0 "[ . 1]" 1
35 1 51 VAL HA 1 52 ASN H . . 3.020 2.323 2.319 2.327 . 0 0 "[ . 1]" 1
36 1 51 VAL HB 1 52 ASN H . . 2.960 2.592 2.579 2.619 . 0 0 "[ . 1]" 1
37 1 53 LEU HB3 1 54 GLY H . . 3.700 2.733 2.530 3.079 . 0 0 "[ . 1]" 1
38 1 55 SER H 1 55 SER HA . . 2.860 2.947 2.944 2.948 0.088 6 0 "[ . 1]" 1
39 1 55 SER HA 1 56 SER H . . 3.140 2.383 2.280 2.443 . 0 0 "[ . 1]" 1
40 1 55 SER HB2 1 56 SER H . . 3.580 2.635 2.477 2.917 . 0 0 "[ . 1]" 1
41 1 55 SER HB3 1 56 SER H . . 3.580 3.344 3.254 3.490 . 0 0 "[ . 1]" 1
42 1 56 SER HA 1 57 GLN H . . 3.020 2.139 2.138 2.140 . 0 0 "[ . 1]" 1
43 1 56 SER QB 1 57 GLN H . . 4.960 3.548 3.366 3.800 . 0 0 "[ . 1]" 1
44 1 57 GLN HA 1 58 THR H . . 2.990 2.364 2.305 2.418 . 0 0 "[ . 1]" 1
45 1 58 THR HA 1 59 VAL H . . 2.830 2.240 2.165 2.321 . 0 0 "[ . 1]" 1
46 1 61 ARG HA 1 62 VAL H . . 2.830 2.156 2.145 2.168 . 0 0 "[ . 1]" 1
47 1 61 ARG HB3 1 62 VAL H . . 3.480 3.505 3.458 3.563 0.083 9 0 "[ . 1]" 1
48 1 62 VAL HA 1 63 LYS H . . 2.900 2.208 2.149 2.254 . 0 0 "[ . 1]" 1
49 1 63 LYS HA 1 64 LEU H . . 3.050 2.170 2.143 2.181 . 0 0 "[ . 1]" 1
50 1 64 LEU HA 1 65 ASN H . . 2.960 2.146 2.140 2.180 . 0 0 "[ . 1]" 1
51 1 65 ASN HA 1 66 TRP H . . 2.930 2.350 2.166 2.469 . 0 0 "[ . 1]" 1
52 1 66 TRP HA 1 67 GLU H . . 3.300 2.242 2.146 2.457 . 0 0 "[ . 1]" 1
53 1 67 GLU HA 1 68 ALA H . . 3.420 3.320 2.730 3.559 0.139 4 0 "[ . 1]" 1
54 1 69 ALA HA 1 70 TYR H . . 3.270 2.562 2.488 2.777 . 0 0 "[ . 1]" 1
55 1 71 ALA HA 1 72 SER H . . 3.080 2.268 2.147 2.306 . 0 0 "[ . 1]" 1
56 1 72 SER HA 1 73 SER H . . 3.450 3.563 3.554 3.570 0.120 10 0 "[ . 1]" 1
57 1 72 SER HB2 1 73 SER H . . 3.890 2.663 2.451 3.479 . 0 0 "[ . 1]" 1
58 1 75 THR HA 1 76 ILE H . . 2.960 2.328 2.307 2.365 . 0 0 "[ . 1]" 1
59 1 75 THR HB 1 76 ILE H . . 3.450 3.027 2.665 3.597 0.147 6 0 "[ . 1]" 1
60 1 77 GLN H 1 77 GLN HB3 . . 4.080 3.757 3.324 3.866 . 0 0 "[ . 1]" 1
61 1 76 ILE HA 1 77 GLN H . . 2.830 2.145 2.140 2.153 . 0 0 "[ . 1]" 1
62 1 77 GLN HA 1 78 VAL H . . 2.960 2.376 2.228 2.468 . 0 0 "[ . 1]" 1
63 1 78 VAL HA 1 79 SER H . . 2.990 2.237 2.219 2.282 . 0 0 "[ . 1]" 1
64 1 78 VAL HB 1 79 SER H . . 2.930 2.844 2.695 2.909 . 0 0 "[ . 1]" 1
65 1 85 PRO HA 1 86 THR H . . 2.900 2.555 2.507 2.591 . 0 0 "[ . 1]" 1
66 1 86 THR HB 1 87 ASN H . . 3.300 2.318 1.968 2.680 . 0 0 "[ . 1]" 1
67 1 87 ASN HA 1 88 TRP H . . 3.080 2.226 2.171 2.269 . 0 0 "[ . 1]" 1
68 1 90 THR HA 1 91 VAL H . . 3.300 2.419 2.381 2.472 . 0 0 "[ . 1]" 1
69 1 92 TYR HA 1 93 THR H . . 2.990 2.289 2.275 2.299 . 0 0 "[ . 1]" 1
70 1 93 THR HA 1 94 THR H . . 2.930 2.176 2.147 2.222 . 0 0 "[ . 1]" 1
71 1 94 THR HA 1 95 THR H . . 2.990 2.302 2.269 2.335 . 0 0 "[ . 1]" 1
72 1 94 THR HB 1 95 THR H . . 3.170 2.913 2.671 3.121 . 0 0 "[ . 1]" 1
73 1 95 THR HB 1 96 THR H . . 4.360 3.913 3.033 4.446 0.086 10 0 "[ . 1]" 1
74 1 96 THR HB 1 97 GLY H . . 3.240 2.601 2.240 3.264 0.024 4 0 "[ . 1]" 1
75 1 102 ASP HA 1 103 ASP H . . 2.740 2.150 2.138 2.164 . 0 0 "[ . 1]" 1
76 1 103 ASP HA 1 104 ILE H . . 2.990 2.147 2.146 2.149 . 0 0 "[ . 1]" 1
77 1 104 ILE HA 1 105 THR H . . 2.680 2.153 2.139 2.178 . 0 0 "[ . 1]" 1
78 1 105 THR HA 1 106 PHE H . . 2.960 2.142 2.141 2.143 . 0 0 "[ . 1]" 1
79 1 106 PHE HA 1 107 THR H . . 2.900 2.853 2.811 2.889 . 0 0 "[ . 1]" 1
80 1 106 PHE HB2 1 107 THR H . . 3.610 3.460 3.414 3.506 . 0 0 "[ . 1]" 1
81 1 106 PHE HB3 1 107 THR H . . 3.110 2.048 1.954 2.111 . 0 0 "[ . 1]" 1
82 1 107 THR HA 1 108 ALA H . . 2.740 2.355 2.304 2.368 . 0 0 "[ . 1]" 1
83 1 108 ALA HA 1 109 ARG H . . 3.050 2.227 2.198 2.248 . 0 0 "[ . 1]" 1
84 1 110 THR HA 1 111 ALA H . . 2.960 2.150 2.144 2.156 . 0 0 "[ . 1]" 1
85 1 111 ALA HA 1 112 LYS H . . 3.270 2.504 2.495 2.514 . 0 0 "[ . 1]" 1
86 1 114 VAL HA 1 115 ARG H . . 2.960 2.227 2.207 2.251 . 0 0 "[ . 1]" 1
87 1 115 ARG HA 1 116 VAL H . . 3.210 2.257 2.185 2.285 . 0 0 "[ . 1]" 1
88 1 116 VAL HA 1 117 HIS H . . 3.170 2.152 2.140 2.169 . 0 0 "[ . 1]" 1
89 1 120 VAL HA 1 121 ARG H . . 3.140 2.158 2.141 2.189 . 0 0 "[ . 1]" 1
90 1 121 ARG HA 1 122 GLY H . . 3.240 2.446 2.265 2.610 . 0 0 "[ . 1]" 1
91 1 126 GLY HA3 1 127 TYR H . . 3.210 2.288 2.235 2.694 . 0 0 "[ . 1]" 1
92 1 126 GLY HA2 1 127 TYR H . . 3.710 3.368 2.438 3.477 . 0 0 "[ . 1]" 1
93 1 127 TYR HA 1 128 SER H . . 3.020 2.231 2.217 2.273 . 0 0 "[ . 1]" 1
94 1 128 SER HA 1 129 LEU H . . 3.330 2.160 2.140 2.309 . 0 0 "[ . 1]" 1
95 1 129 LEU HB3 1 130 TRP H . . 3.890 3.153 2.829 3.455 . 0 0 "[ . 1]" 1
96 1 130 TRP HB2 1 131 GLU H . . 3.450 2.738 2.453 3.061 . 0 0 "[ . 1]" 1
97 1 130 TRP HB3 1 131 GLU H . . 3.450 3.154 2.883 3.353 . 0 0 "[ . 1]" 1
98 1 132 PHE HA 1 133 GLU H . . 3.080 2.173 2.144 2.189 . 0 0 "[ . 1]" 1
99 1 133 GLU HA 1 134 VAL H . . 3.240 2.146 2.143 2.148 . 0 0 "[ . 1]" 1
100 1 134 VAL HA 1 135 TYR H . . 3.080 2.149 2.140 2.192 . 0 0 "[ . 1]" 1
101 1 135 TYR HB2 1 136 GLY H . . 3.670 3.297 2.551 3.661 . 0 0 "[ . 1]" 1
102 1 135 TYR HA 1 136 GLY H . . 2.960 2.341 2.301 2.360 . 0 0 "[ . 1]" 1
103 1 7 ASN HA 1 8 LEU H . . 3.140 2.750 2.337 3.096 . 0 0 "[ . 1]" 1
104 1 8 LEU HB2 1 9 ALA H . . 3.520 2.969 2.531 3.318 . 0 0 "[ . 1]" 1
105 1 8 LEU HB3 1 9 ALA H . . 3.520 3.271 2.641 3.521 0.001 8 0 "[ . 1]" 1
106 1 8 LEU H 1 9 ALA H . . 3.300 2.246 2.188 2.364 . 0 0 "[ . 1]" 1
107 1 9 ALA H 1 10 LEU H . . 3.020 2.797 2.601 3.082 0.062 5 0 "[ . 1]" 1
108 1 15 THR H 1 50 TYR H . . 3.480 3.358 3.168 3.592 0.112 6 0 "[ . 1]" 1
109 1 17 SER H 1 18 SER H . . 3.110 2.677 2.505 2.731 . 0 0 "[ . 1]" 1
110 1 24 PHE H 1 25 GLU H . . 2.960 2.769 2.589 3.062 0.102 8 0 "[ . 1]" 1
111 1 30 PHE H 1 31 ASP H . . 3.080 2.279 1.879 2.495 . 0 0 "[ . 1]" 1
112 1 31 ASP H 1 32 GLY H . . 2.960 2.536 2.464 2.588 . 0 0 "[ . 1]" 1
113 1 32 GLY H 1 33 SER H . . 3.080 2.686 2.520 2.775 . 0 0 "[ . 1]" 1
114 1 35 THR H 1 36 THR H . . 2.830 2.798 2.566 2.853 0.023 4 0 "[ . 1]" 1
115 1 23 GLY H 1 24 PHE H . . 2.680 2.066 1.852 2.867 0.187 8 0 "[ . 1]" 1
116 1 17 SER H 1 48 TRP H . . 3.520 3.424 3.043 3.576 0.056 6 0 "[ . 1]" 1
117 1 50 TYR HA 1 51 VAL H . . 3.240 2.398 2.312 2.480 . 0 0 "[ . 1]" 1
118 1 53 LEU H 1 54 GLY H . . 3.170 2.157 1.892 2.332 . 0 0 "[ . 1]" 1
119 1 54 GLY H 1 55 SER H . . 3.020 2.419 2.216 2.640 . 0 0 "[ . 1]" 1
120 1 60 ASN H 1 61 ARG H . . 2.590 1.822 1.793 1.867 . 0 0 "[ . 1]" 1
121 1 72 SER H 1 73 SER H . . 2.900 2.726 2.475 2.949 0.049 10 0 "[ . 1]" 1
122 1 78 VAL H 1 89 THR H . . 3.740 3.615 3.491 3.798 0.058 7 0 "[ . 1]" 1
123 1 81 ASP H 1 82 SER H . . 3.730 2.604 2.541 2.667 . 0 0 "[ . 1]" 1
124 1 86 THR H 1 87 ASN H . . 2.860 2.260 1.887 2.700 . 0 0 "[ . 1]" 1
125 1 76 ILE H 1 92 TYR H . . 3.390 3.513 3.478 3.617 0.227 4 0 "[ . 1]" 1
126 1 91 VAL H 1 92 TYR H . . 2.770 1.885 1.867 1.922 . 0 0 "[ . 1]" 1
127 1 95 THR H 1 96 THR H . . 3.020 1.871 1.846 1.887 . 0 0 "[ . 1]" 1
128 1 96 THR H 1 97 GLY H . . 3.210 2.413 2.103 2.643 . 0 0 "[ . 1]" 1
129 1 108 ALA H 1 109 ARG H . . 3.950 4.092 4.052 4.141 0.191 4 0 "[ . 1]" 1
130 1 49 ILE H 1 116 VAL H . . 3.760 2.582 2.465 2.765 . 0 0 "[ . 1]" 1
131 1 119 THR H 1 120 VAL H . . 2.960 2.077 1.864 2.384 . 0 0 "[ . 1]" 1
132 1 122 GLY H 1 123 THR H . . 3.420 2.507 2.166 2.909 . 0 0 "[ . 1]" 1
133 1 130 TRP H 1 131 GLU H . . 2.990 2.422 2.185 2.682 . 0 0 "[ . 1]" 1
134 1 11 ASN H 1 11 ASN HB2 . . 4.290 4.062 3.984 4.099 . 0 0 "[ . 1]" 1
135 1 89 THR HA 1 90 THR H . . 3.020 2.185 2.143 2.210 . 0 0 "[ . 1]" 1
136 1 97 GLY HA2 1 98 ASP H . . 3.520 2.383 2.231 2.689 . 0 0 "[ . 1]" 1
137 1 97 GLY HA3 1 98 ASP H . . 3.520 3.227 2.550 3.563 0.043 1 0 "[ . 1]" 1
138 1 22 ALA H 1 23 GLY H . . 3.790 3.258 2.610 3.721 . 0 0 "[ . 1]" 1
139 1 10 LEU H 1 10 LEU HB2 . . 3.110 2.269 2.184 2.749 . 0 0 "[ . 1]" 1
140 1 10 LEU HA 1 11 ASN H . . 2.960 2.874 2.704 2.984 0.024 10 0 "[ . 1]" 1
141 1 8 LEU H 1 8 LEU HB2 . . 3.580 2.244 2.207 2.348 . 0 0 "[ . 1]" 1
142 1 10 LEU H 1 10 LEU HB3 . . 3.110 3.185 3.040 3.266 0.156 2 0 "[ . 1]" 1
143 1 13 THR H 1 13 THR HA . . 2.800 2.886 2.808 2.927 0.127 3 0 "[ . 1]" 1
144 1 28 ARG H 1 28 ARG HB2 . . 3.140 2.624 2.413 2.971 . 0 0 "[ . 1]" 1
145 1 28 ARG H 1 28 ARG HB3 . . 3.140 2.714 2.407 2.958 . 0 0 "[ . 1]" 1
146 1 12 LYS H 1 12 LYS HB2 . . 3.300 2.076 2.059 2.087 . 0 0 "[ . 1]" 1
147 1 12 LYS H 1 12 LYS HB3 . . 3.300 3.348 3.243 3.384 0.084 9 0 "[ . 1]" 1
148 1 15 THR H 1 15 THR HB . . 3.210 3.157 3.061 3.263 0.053 3 0 "[ . 1]" 1
149 1 17 SER H 1 17 SER HB2 . . 3.390 2.673 2.114 3.380 . 0 0 "[ . 1]" 1
150 1 19 ILE HA 1 20 GLU H . . 2.900 2.343 2.305 2.519 . 0 0 "[ . 1]" 1
151 1 19 ILE HB 1 21 GLY H . . 3.210 2.679 2.273 3.234 0.024 4 0 "[ . 1]" 1
152 1 40 SER H 1 40 SER HB3 . . 4.050 3.591 2.509 3.894 . 0 0 "[ . 1]" 1
153 1 45 ASP H 1 45 ASP HB2 . . 3.610 3.607 3.552 3.650 0.040 3 0 "[ . 1]" 1
154 1 45 ASP H 1 45 ASP HB3 . . 3.610 3.471 3.358 3.581 . 0 0 "[ . 1]" 1
155 1 50 TYR HB3 1 51 VAL H . . 4.200 3.852 3.736 3.998 . 0 0 "[ . 1]" 1
156 1 50 TYR HB2 1 51 VAL H . . 3.700 2.497 2.319 2.668 . 0 0 "[ . 1]" 1
157 1 52 ASN H 1 52 ASN HB3 . . 3.360 3.225 3.156 3.318 . 0 0 "[ . 1]" 1
158 1 52 ASN H 1 52 ASN HB2 . . 3.360 2.410 2.338 2.451 . 0 0 "[ . 1]" 1
159 1 53 LEU H 1 53 LEU HB2 . . 3.140 2.644 2.547 2.715 . 0 0 "[ . 1]" 1
160 1 53 LEU H 1 53 LEU HB3 . . 3.640 3.529 3.444 3.592 . 0 0 "[ . 1]" 1
161 1 55 SER H 1 55 SER HB3 . . 3.360 3.461 3.438 3.474 0.114 3 0 "[ . 1]" 1
162 1 58 THR H 1 58 THR HB . . 2.990 2.826 2.678 2.998 0.008 3 0 "[ . 1]" 1
163 1 57 GLN HB3 1 58 THR H . . 3.080 2.633 2.472 2.881 . 0 0 "[ . 1]" 1
164 1 57 GLN HB2 1 58 THR H . . 3.300 3.406 3.364 3.454 0.154 1 0 "[ . 1]" 1
165 1 59 VAL H 1 59 VAL HB . . 3.390 2.905 2.677 3.297 . 0 0 "[ . 1]" 1
166 1 59 VAL HA 1 60 ASN H . . 3.360 2.248 2.240 2.252 . 0 0 "[ . 1]" 1
167 1 60 ASN HA 1 61 ARG H . . 3.390 3.523 3.516 3.532 0.142 5 0 "[ . 1]" 1
168 1 61 ARG H 1 61 ARG HB3 . . 3.330 3.353 3.329 3.395 0.065 9 0 "[ . 1]" 1
169 1 63 LYS H 1 63 LYS HB2 . . 3.390 2.447 2.343 2.560 . 0 0 "[ . 1]" 1
170 1 76 ILE H 1 76 ILE HB . . 3.450 2.742 2.692 2.826 . 0 0 "[ . 1]" 1
171 1 77 GLN H 1 77 GLN HB2 . . 3.580 2.815 2.645 3.635 0.055 7 0 "[ . 1]" 1
172 1 81 ASP H 1 81 ASP HB2 . . 3.050 3.133 3.094 3.176 0.126 2 0 "[ . 1]" 1
173 1 81 ASP H 1 81 ASP HB3 . . 3.050 2.099 2.095 2.112 . 0 0 "[ . 1]" 1
174 1 87 ASN H 1 87 ASN HB2 . . 3.390 2.357 2.091 3.403 0.013 5 0 "[ . 1]" 1
175 1 87 ASN H 1 87 ASN HB3 . . 3.390 3.072 2.227 3.395 0.005 6 0 "[ . 1]" 1
176 1 88 TRP H 1 88 TRP HB3 . . 3.300 3.308 3.227 3.387 0.087 3 0 "[ . 1]" 1
177 1 89 THR H 1 89 THR HB . . 3.670 3.332 3.041 3.472 . 0 0 "[ . 1]" 1
178 1 88 TRP HA 1 89 THR H . . 3.170 2.195 2.179 2.202 . 0 0 "[ . 1]" 1
179 1 88 TRP HB3 1 89 THR H . . 3.580 3.363 3.254 3.549 . 0 0 "[ . 1]" 1
180 1 92 TYR H 1 92 TYR HB2 . . 3.550 3.313 3.228 3.403 . 0 0 "[ . 1]" 1
181 1 92 TYR H 1 92 TYR HB3 . . 4.050 3.114 2.899 3.234 . 0 0 "[ . 1]" 1
182 1 93 THR H 1 93 THR HB . . 3.240 3.209 2.898 3.391 0.151 7 0 "[ . 1]" 1
183 1 104 ILE H 1 104 ILE HB . . 3.110 2.711 2.584 2.816 . 0 0 "[ . 1]" 1
184 1 106 PHE H 1 106 PHE HB2 . . 3.920 2.911 2.887 2.934 . 0 0 "[ . 1]" 1
185 1 107 THR H 1 107 THR HB . . 3.490 3.367 3.241 3.489 . 0 0 "[ . 1]" 1
186 1 109 ARG H 1 109 ARG HB2 . . 3.480 2.152 2.116 2.181 . 0 0 "[ . 1]" 1
187 1 109 ARG H 1 109 ARG HB3 . . 3.480 3.220 3.104 3.388 . 0 0 "[ . 1]" 1
188 1 113 TYR H 1 113 TYR HB3 . . 3.920 3.800 3.419 3.921 0.001 10 0 "[ . 1]" 1
189 1 113 TYR H 1 113 TYR HB2 . . 3.920 3.078 2.823 3.710 . 0 0 "[ . 1]" 1
190 1 115 ARG H 1 115 ARG HB2 . . 3.210 3.122 2.906 3.313 0.103 6 0 "[ . 1]" 1
191 1 115 ARG H 1 115 ARG HB3 . . 3.710 3.446 2.744 3.917 0.207 7 0 "[ . 1]" 1
192 1 114 VAL HB 1 115 ARG H . . 3.640 3.739 3.701 3.765 0.125 3 0 "[ . 1]" 1
193 1 116 VAL H 1 116 VAL HB . . 3.330 2.712 2.664 2.781 . 0 0 "[ . 1]" 1
194 1 115 ARG HB3 1 116 VAL H . . 3.830 3.338 2.868 3.908 0.078 4 0 "[ . 1]" 1
195 1 120 VAL H 1 120 VAL HB . . 3.420 2.679 2.597 2.742 . 0 0 "[ . 1]" 1
196 1 121 ARG H 1 121 ARG HB3 . . 3.790 3.471 3.309 3.727 . 0 0 "[ . 1]" 1
197 1 121 ARG H 1 121 ARG HB2 . . 3.790 3.319 2.459 3.685 . 0 0 "[ . 1]" 1
198 1 121 ARG HB2 1 123 THR H . . 3.450 2.576 2.258 3.363 . 0 0 "[ . 1]" 1
199 1 121 ARG HB3 1 123 THR H . . 3.950 3.589 2.134 4.068 0.118 5 0 "[ . 1]" 1
200 1 125 TYR H 1 125 TYR HB2 . . 3.550 2.198 2.155 2.258 . 0 0 "[ . 1]" 1
201 1 125 TYR H 1 125 TYR HB3 . . 3.550 3.482 3.433 3.520 . 0 0 "[ . 1]" 1
202 1 129 LEU H 1 129 LEU HB2 . . 3.480 2.721 2.476 2.947 . 0 0 "[ . 1]" 1
203 1 129 LEU H 1 129 LEU HB3 . . 3.980 3.740 3.419 3.924 . 0 0 "[ . 1]" 1
204 1 130 TRP H 1 130 TRP HB3 . . 3.610 3.482 3.369 3.602 . 0 0 "[ . 1]" 1
205 1 133 GLU H 1 133 GLU HB3 . . 3.580 3.370 3.148 3.722 0.142 2 0 "[ . 1]" 1
206 1 134 VAL H 1 134 VAL HB . . 3.550 3.128 2.830 3.394 . 0 0 "[ . 1]" 1
207 1 135 TYR H 1 135 TYR HB3 . . 4.140 3.659 3.265 3.800 . 0 0 "[ . 1]" 1
208 1 114 VAL H 1 114 VAL HB . . 3.270 2.789 2.707 2.847 . 0 0 "[ . 1]" 1
209 1 135 TYR H 1 135 TYR HB2 . . 4.140 3.031 2.707 3.752 . 0 0 "[ . 1]" 1
210 1 24 PHE H 1 24 PHE HB3 . . 3.610 3.470 3.083 3.645 0.035 10 0 "[ . 1]" 1
211 1 38 TRP H 1 38 TRP HB2 . . 3.270 2.992 2.727 3.251 . 0 0 "[ . 1]" 1
212 1 58 THR HB 1 59 VAL H . . 3.790 3.787 3.504 3.994 0.204 8 0 "[ . 1]" 1
213 1 62 VAL H 1 62 VAL HB . . 3.110 2.853 2.768 3.049 . 0 0 "[ . 1]" 1
214 1 72 SER H 1 72 SER HB2 . . 3.700 2.240 2.119 2.711 . 0 0 "[ . 1]" 1
215 1 95 THR H 1 95 THR HB . . 3.300 3.287 3.182 3.359 0.059 3 0 "[ . 1]" 1
216 1 96 THR H 1 96 THR HB . . 3.390 2.875 2.472 3.500 0.110 9 0 "[ . 1]" 1
217 1 110 THR H 1 110 THR HB . . 3.110 3.191 3.169 3.207 0.097 4 0 "[ . 1]" 1
218 1 130 TRP H 1 130 TRP HB2 . . 3.610 2.222 2.107 2.349 . 0 0 "[ . 1]" 1
219 1 40 SER H 1 40 SER HB2 . . 3.550 3.144 2.844 3.352 . 0 0 "[ . 1]" 1
220 1 38 TRP HA 1 39 ALA H . . 3.390 2.144 2.141 2.147 . 0 0 "[ . 1]" 1
221 1 48 TRP HA 1 49 ILE H . . 3.170 2.350 2.306 2.415 . 0 0 "[ . 1]" 1
222 1 66 TRP H 1 66 TRP HB2 . . 4.050 2.992 2.405 3.873 . 0 0 "[ . 1]" 1
223 1 66 TRP H 1 66 TRP HB3 . . 4.050 3.784 3.578 3.935 . 0 0 "[ . 1]" 1
224 1 77 GLN HB2 1 78 VAL H . . 3.730 3.490 2.957 3.754 0.024 6 0 "[ . 1]" 1
225 1 78 VAL H 1 78 VAL HB . . 3.860 3.907 3.807 3.956 0.096 9 0 "[ . 1]" 1
226 1 11 ASN H 1 11 ASN HB3 . . 3.790 3.489 3.314 3.782 . 0 0 "[ . 1]" 1
227 1 129 LEU HA 1 130 TRP H . . 3.300 2.187 2.148 2.259 . 0 0 "[ . 1]" 1
228 1 110 THR HB 1 111 ALA H . . 3.610 3.677 3.645 3.714 0.104 4 0 "[ . 1]" 1
229 1 50 TYR HA 1 116 VAL H . . 3.980 3.475 3.297 3.664 . 0 0 "[ . 1]" 1
230 1 19 ILE H 1 19 ILE HB . . 4.010 3.572 2.963 3.952 . 0 0 "[ . 1]" 1
231 1 53 LEU HB2 1 54 GLY H . . 3.700 2.778 2.615 2.951 . 0 0 "[ . 1]" 1
232 1 53 LEU H 1 55 SER H . . 4.290 4.302 4.143 4.360 0.070 10 0 "[ . 1]" 1
233 1 55 SER H 1 55 SER HB2 . . 3.360 3.485 3.467 3.500 0.140 9 0 "[ . 1]" 1
234 1 132 PHE H 1 132 PHE HB3 . . 3.330 3.013 2.888 3.136 . 0 0 "[ . 1]" 1
235 1 132 PHE H 1 132 PHE HB2 . . 3.330 2.796 2.402 2.998 . 0 0 "[ . 1]" 1
236 1 65 ASN H 1 65 ASN HB3 . . 3.860 3.266 2.662 3.562 . 0 0 "[ . 1]" 1
237 1 65 ASN H 1 65 ASN HB2 . . 3.360 2.950 2.243 3.475 0.115 5 0 "[ . 1]" 1
238 1 63 LYS H 1 63 LYS HB3 . . 3.360 3.084 2.916 3.256 . 0 0 "[ . 1]" 1
239 1 22 ALA H 1 22 ALA HA . . 2.800 2.811 2.276 2.949 0.149 5 0 "[ . 1]" 1
240 1 24 PHE H 1 24 PHE HB2 . . 3.610 2.309 2.213 2.524 . 0 0 "[ . 1]" 1
241 1 44 VAL H 1 44 VAL HB . . 2.800 2.769 2.484 2.938 0.138 7 0 "[ . 1]" 1
242 1 72 SER H 1 72 SER HB3 . . 3.700 3.330 2.566 3.488 . 0 0 "[ . 1]" 1
243 1 106 PHE H 1 106 PHE HB3 . . 3.920 3.285 3.261 3.317 . 0 0 "[ . 1]" 1
244 1 128 SER H 1 128 SER HB2 . . 3.640 3.341 2.775 3.693 0.053 7 0 "[ . 1]" 1
245 1 103 ASP HB2 1 104 ILE H . . 3.890 3.783 3.413 3.944 0.054 1 0 "[ . 1]" 1
246 1 121 ARG HB3 1 122 GLY H . . 4.230 3.185 2.499 3.641 . 0 0 "[ . 1]" 1
247 1 135 TYR HB3 1 136 GLY H . . 3.670 2.947 2.602 3.676 0.006 8 0 "[ . 1]" 1
248 1 72 SER HB3 1 73 SER H . . 3.890 2.460 1.936 2.832 . 0 0 "[ . 1]" 1
249 1 102 ASP H 1 102 ASP HB3 . . 4.170 3.346 2.683 3.755 . 0 0 "[ . 1]" 1
250 1 100 GLY H 1 101 ILE H . . 4.140 3.648 2.827 4.224 0.084 2 0 "[ . 1]" 1
251 1 77 GLN HB3 1 78 VAL H . . 3.730 2.624 2.316 3.782 0.052 7 0 "[ . 1]" 1
252 1 7 ASN H 1 7 ASN HB2 . . 3.480 3.442 2.390 3.564 0.084 1 0 "[ . 1]" 1
253 1 7 ASN H 1 7 ASN HB3 . . 3.480 2.712 2.235 2.783 . 0 0 "[ . 1]" 1
254 1 113 TYR HA 1 114 VAL H . . 3.050 2.281 2.256 2.322 . 0 0 "[ . 1]" 1
255 1 109 ARG HA 1 110 THR H . . 2.830 2.255 2.249 2.260 . 0 0 "[ . 1]" 1
256 1 35 THR H 1 35 THR HB . . 3.950 3.432 3.067 3.612 . 0 0 "[ . 1]" 1
257 1 61 ARG H 1 61 ARG HB2 . . 3.480 2.339 2.322 2.375 . 0 0 "[ . 1]" 1
258 1 86 THR H 1 86 THR HB . . 3.050 3.023 3.022 3.026 . 0 0 "[ . 1]" 1
259 1 88 TRP H 1 88 TRP HB2 . . 3.110 2.367 2.236 2.607 . 0 0 "[ . 1]" 1
260 1 90 THR H 1 90 THR HB . . 3.890 3.355 2.786 3.781 . 0 0 "[ . 1]" 1
261 1 93 THR H 1 93 THR HA . . 2.930 2.922 2.904 2.940 0.010 10 0 "[ . 1]" 1
262 1 94 THR H 1 94 THR HB . . 3.730 3.534 3.313 3.866 0.136 5 0 "[ . 1]" 1
263 1 102 ASP H 1 102 ASP HB2 . . 4.170 2.752 2.166 3.786 . 0 0 "[ . 1]" 1
264 1 105 THR H 1 105 THR HB . . 3.170 3.134 2.865 3.364 0.194 2 0 "[ . 1]" 1
265 1 128 SER H 1 128 SER HB3 . . 3.640 3.353 2.604 3.858 0.218 5 0 "[ . 1]" 1
266 1 133 GLU H 1 133 GLU HB2 . . 3.580 2.614 2.439 3.683 0.103 9 0 "[ . 1]" 1
267 1 8 LEU H 1 8 LEU HB3 . . 3.580 3.406 3.060 3.594 0.014 2 0 "[ . 1]" 1
268 1 7 ASN HA 1 9 ALA H . . 3.980 3.856 3.617 4.027 0.047 7 0 "[ . 1]" 1
269 1 10 LEU H 1 11 ASN H . . 3.950 2.898 2.755 3.099 . 0 0 "[ . 1]" 1
270 1 23 GLY HA3 1 24 PHE H . . 3.550 3.416 3.272 3.567 0.017 8 0 "[ . 1]" 1
271 1 38 TRP H 1 38 TRP HB3 . . 3.270 2.353 2.277 2.577 . 0 0 "[ . 1]" 1
272 1 43 GLY H 1 44 VAL H . . 3.520 3.349 2.814 3.684 0.164 3 0 "[ . 1]" 1
273 1 68 ALA H 1 69 ALA H . . 3.270 2.194 1.853 2.849 . 0 0 "[ . 1]" 1
274 1 69 ALA H 1 70 TYR H . . 3.610 3.546 3.027 3.706 0.096 4 0 "[ . 1]" 1
275 1 76 ILE HB 1 77 GLN H . . 4.170 4.223 4.178 4.275 0.105 4 0 "[ . 1]" 1
276 1 89 THR HB 1 90 THR H . . 3.670 3.402 3.208 3.641 . 0 0 "[ . 1]" 1
277 1 103 ASP HB3 1 104 ILE H . . 3.890 3.580 3.416 3.951 0.061 3 0 "[ . 1]" 1
278 1 107 THR HB 1 108 ALA H . . 3.890 2.801 2.634 2.987 . 0 0 "[ . 1]" 1
279 1 115 ARG HB2 1 116 VAL H . . 3.830 3.765 3.513 3.969 0.139 4 0 "[ . 1]" 1
280 1 121 ARG HB2 1 122 GLY H . . 4.230 2.747 2.012 3.956 . 0 0 "[ . 1]" 1
281 1 129 LEU HB2 1 130 TRP H . . 4.390 4.163 3.719 4.403 0.013 9 0 "[ . 1]" 1
282 1 51 VAL H 1 114 VAL H . . 3.550 3.197 3.124 3.329 . 0 0 "[ . 1]" 1
283 1 20 GLU H 1 21 GLY H . . 3.300 2.390 2.229 2.655 . 0 0 "[ . 1]" 1
284 1 24 PHE HA 1 25 GLU H . . 3.270 3.015 2.827 3.145 . 0 0 "[ . 1]" 1
285 1 31 ASP HB2 1 33 SER H . . 4.170 3.898 3.433 4.191 0.021 9 0 "[ . 1]" 1
286 1 31 ASP HB3 1 33 SER H . . 4.170 2.583 2.484 2.933 . 0 0 "[ . 1]" 1
287 1 35 THR HB 1 36 THR H . . 3.950 2.881 2.240 3.287 . 0 0 "[ . 1]" 1
288 1 63 LYS HB3 1 64 LEU H . . 3.790 3.669 3.458 3.785 . 0 0 "[ . 1]" 1
289 1 93 THR HB 1 94 THR H . . 4.010 4.099 4.063 4.143 0.133 7 0 "[ . 1]" 1
290 1 113 TYR HB3 1 114 VAL H . . 3.700 2.994 2.771 3.655 . 0 0 "[ . 1]" 1
291 1 113 TYR HB2 1 114 VAL H . . 3.700 3.473 2.659 3.727 0.027 5 0 "[ . 1]" 1
292 1 131 GLU HA 1 132 PHE H . . 3.110 2.273 2.208 2.331 . 0 0 "[ . 1]" 1
293 1 47 GLN H 1 118 GLY H . . 3.670 3.597 3.119 3.751 0.081 6 0 "[ . 1]" 1
294 1 73 SER HA 1 74 TYR H . . 2.650 2.308 2.218 2.361 . 0 0 "[ . 1]" 1
295 1 76 ILE H 1 93 THR HA . . 3.670 2.873 2.745 2.964 . 0 0 "[ . 1]" 1
296 1 75 THR HA 1 94 THR H . . 3.670 2.539 2.190 2.765 . 0 0 "[ . 1]" 1
297 1 73 SER HA 1 96 THR H . . 4.230 3.970 3.636 4.282 0.052 2 0 "[ . 1]" 1
298 1 77 GLN H 1 115 ARG H . . 3.480 3.575 3.502 3.640 0.160 7 0 "[ . 1]" 1
299 1 79 SER H 1 113 TYR H . . 3.300 3.210 3.125 3.335 0.035 4 0 "[ . 1]" 1
300 1 57 GLN H 1 111 ALA H . . 3.550 3.480 3.421 3.559 0.009 7 0 "[ . 1]" 1
301 1 59 VAL H 1 109 ARG H . . 3.360 3.412 3.396 3.428 0.068 2 0 "[ . 1]" 1
302 1 63 LYS HA 1 104 ILE H . . 3.610 3.394 2.947 3.607 . 0 0 "[ . 1]" 1
303 1 48 TRP HA 1 118 GLY H . . 3.830 3.380 3.197 3.555 . 0 0 "[ . 1]" 1
304 1 117 HIS HA 1 118 GLY H . . 3.300 2.216 2.190 2.250 . 0 0 "[ . 1]" 1
305 1 52 ASN HA 1 53 LEU H . . 3.080 2.206 2.168 2.269 . 0 0 "[ . 1]" 1
306 1 64 LEU H 1 103 ASP HA . . 3.580 3.505 3.158 3.625 0.045 2 0 "[ . 1]" 1
307 1 77 GLN HA 1 91 VAL H . . 3.830 3.173 3.064 3.359 . 0 0 "[ . 1]" 1
308 1 47 GLN H 1 119 THR HA . . 3.950 3.244 2.655 3.901 . 0 0 "[ . 1]" 1
309 1 125 TYR HA 1 126 GLY H . . 3.240 2.218 2.210 2.223 . 0 0 "[ . 1]" 1
310 1 39 ALA HA 1 129 LEU H . . 3.580 3.395 3.273 3.604 0.024 2 0 "[ . 1]" 1
311 1 40 SER H 1 128 SER HA . . 3.830 3.507 2.956 3.788 . 0 0 "[ . 1]" 1
312 1 40 SER H 1 127 TYR H . . 3.420 2.927 2.553 3.383 . 0 0 "[ . 1]" 1
313 1 13 THR H 1 52 ASN H . . 4.330 4.366 4.312 4.401 0.071 6 0 "[ . 1]" 1
314 1 101 ILE H 1 101 ILE HB . . 3.170 2.701 2.502 2.968 . 0 0 "[ . 1]" 1
315 1 74 TYR H 1 74 TYR HA . . 2.930 2.812 2.791 2.838 . 0 0 "[ . 1]" 1
316 1 31 ASP H 1 33 SER H . . 3.980 4.019 3.995 4.051 0.071 4 0 "[ . 1]" 1
317 1 63 LYS H 1 133 GLU H . . 3.390 3.470 3.416 3.554 0.164 10 0 "[ . 1]" 1
318 1 77 GLN H 1 116 VAL HA . . 3.920 3.053 2.830 3.380 . 0 0 "[ . 1]" 1
319 1 76 ILE HA 1 117 HIS H . . 3.950 3.582 3.399 3.763 . 0 0 "[ . 1]" 1
320 1 75 THR H 1 117 HIS H . . 3.890 3.003 2.725 3.438 . 0 0 "[ . 1]" 1
321 1 78 VAL HA 1 115 ARG H . . 3.670 2.765 2.645 2.969 . 0 0 "[ . 1]" 1
322 1 74 TYR HA 1 119 THR H . . 3.830 3.820 3.056 3.955 0.125 8 0 "[ . 1]" 1
323 1 60 ASN HA 1 109 ARG H . . 3.830 3.609 3.465 3.697 . 0 0 "[ . 1]" 1
324 1 79 SER H 1 114 VAL HA . . 3.730 3.524 3.344 3.652 . 0 0 "[ . 1]" 1
325 1 80 ASN HA 1 113 TYR H . . 3.670 3.682 3.261 3.818 0.148 2 0 "[ . 1]" 1
326 1 91 VAL HA 1 92 TYR H . . 3.390 3.505 3.461 3.542 0.152 9 0 "[ . 1]" 1
327 1 53 LEU HB3 1 55 SER H . . 3.300 2.162 2.083 2.246 . 0 0 "[ . 1]" 1
328 1 53 LEU HB2 1 55 SER H . . 3.300 3.425 3.361 3.529 0.229 5 0 "[ . 1]" 1
329 1 17 SER H 1 17 SER HB3 . . 3.390 2.596 2.143 3.163 . 0 0 "[ . 1]" 1
330 1 20 GLU H 1 40 SER HA . . 3.550 2.327 1.938 2.800 . 0 0 "[ . 1]" 1
331 1 30 PHE HA 1 31 ASP H . . 3.450 3.293 3.275 3.302 . 0 0 "[ . 1]" 1
332 1 51 VAL H 1 51 VAL HB . . 3.980 3.696 3.672 3.724 . 0 0 "[ . 1]" 1
333 1 73 SER H 1 119 THR H . . 4.640 4.652 4.575 4.687 0.047 5 0 "[ . 1]" 1
334 1 73 SER H 1 120 VAL HA . . 4.080 4.219 4.094 4.300 0.220 8 0 "[ . 1]" 1
335 1 77 GLN HA 1 92 TYR H . . 4.420 4.501 4.428 4.562 0.142 6 0 "[ . 1]" 1
336 1 13 THR H 1 52 ASN HB3 . . 4.940 4.463 4.284 4.612 . 0 0 "[ . 1]" 1
337 1 13 THR H 1 52 ASN HB2 . . 4.940 4.836 4.523 4.951 0.011 5 0 "[ . 1]" 1
338 1 19 ILE H 1 19 ILE QG . . 4.800 2.714 2.174 3.333 . 0 0 "[ . 1]" 1
339 1 87 ASN H 1 87 ASN HD21 . . 5.190 3.563 2.931 4.794 . 0 0 "[ . 1]" 1
340 1 87 ASN H 1 87 ASN HD22 . . 5.190 4.965 4.534 5.519 0.329 5 0 "[ . 1]" 1
341 1 67 GLU HA 1 130 TRP HE1 . . 3.950 3.705 3.001 3.980 0.030 1 0 "[ . 1]" 1
342 1 17 SER H 1 48 TRP HD1 . . 4.950 4.810 4.245 4.982 0.032 4 0 "[ . 1]" 1
343 1 73 SER H 1 120 VAL HB . . 3.520 1.909 1.878 1.937 . 0 0 "[ . 1]" 1
344 1 24 PHE HB3 1 39 ALA H . . 4.100 2.968 2.713 3.127 . 0 0 "[ . 1]" 1
345 1 24 PHE HB2 1 39 ALA H . . 4.600 4.578 4.273 4.795 0.195 9 0 "[ . 1]" 1
346 1 48 TRP HD1 1 50 TYR H . . 4.350 3.637 3.411 3.950 . 0 0 "[ . 1]" 1
347 1 19 ILE HA 1 38 TRP HE1 . . 4.480 4.340 3.520 4.564 0.084 6 0 "[ . 1]" 1
348 1 24 PHE H 1 24 PHE QD . . 4.420 3.418 2.394 4.116 . 0 0 "[ . 1]" 1
349 1 14 ALA MB 1 15 THR H . . 4.160 2.646 2.474 2.924 . 0 0 "[ . 1]" 1
350 1 16 ALA MB 1 17 SER H . . 4.350 2.862 2.607 3.038 . 0 0 "[ . 1]" 1
351 1 22 ALA MB 1 23 GLY H . . 4.440 3.663 3.590 3.717 . 0 0 "[ . 1]" 1
352 1 26 ALA MB 1 27 SER H . . 4.290 3.537 3.377 3.627 . 0 0 "[ . 1]" 1
353 1 29 ALA MB 1 30 PHE H . . 5.250 2.424 1.910 2.974 . 0 0 "[ . 1]" 1
354 1 39 ALA MB 1 40 SER H . . 4.910 2.906 2.779 3.175 . 0 0 "[ . 1]" 1
355 1 41 ALA MB 1 42 GLU H . . 4.290 2.390 1.915 2.946 . 0 0 "[ . 1]" 1
356 1 68 ALA MB 1 69 ALA H . . 4.070 2.640 2.483 2.791 . 0 0 "[ . 1]" 1
357 1 69 ALA MB 1 70 TYR H . . 4.630 3.713 3.693 3.720 . 0 0 "[ . 1]" 1
358 1 71 ALA MB 1 72 SER H . . 5.060 2.761 2.592 3.168 . 0 0 "[ . 1]" 1
359 1 108 ALA MB 1 109 ARG H . . 4.470 3.547 3.504 3.572 . 0 0 "[ . 1]" 1
360 1 13 THR H 1 14 ALA MB . . 5.460 5.271 5.178 5.457 . 0 0 "[ . 1]" 1
361 1 13 THR MG 1 14 ALA H . . 4.600 3.691 3.417 4.025 . 0 0 "[ . 1]" 1
362 1 19 ILE H 1 19 ILE MD . . 5.310 2.207 1.855 2.935 . 0 0 "[ . 1]" 1
363 1 35 THR MG 1 36 THR H . . 5.400 3.934 3.761 4.170 . 0 0 "[ . 1]" 1
364 1 36 THR MG 1 37 ARG H . . 4.600 2.668 2.340 3.146 . 0 0 "[ . 1]" 1
365 1 16 ALA MB 1 50 TYR H . . 4.410 4.458 4.182 4.554 0.144 6 0 "[ . 1]" 1
366 1 49 ILE MG 1 50 TYR H . . 5.000 3.640 2.327 4.067 . 0 0 "[ . 1]" 1
367 1 49 ILE MD 1 50 TYR H . . 5.370 4.369 3.846 5.256 . 0 0 "[ . 1]" 1
368 1 51 VAL MG1 1 52 ASN H . . 5.560 3.519 3.335 3.581 . 0 0 "[ . 1]" 1
369 1 53 LEU H 1 53 LEU MD2 . . 5.370 3.984 3.199 4.381 . 0 0 "[ . 1]" 1
370 1 53 LEU MD2 1 54 GLY H . . 6.330 4.391 4.287 4.496 . 0 0 "[ . 1]" 1
371 1 58 THR H 1 58 THR MG . . 4.690 3.308 2.081 3.837 . 0 0 "[ . 1]" 1
372 1 58 THR MG 1 59 VAL H . . 4.720 2.664 2.096 3.544 . 0 0 "[ . 1]" 1
373 1 75 THR MG 1 76 ILE H . . 4.880 3.354 1.882 4.052 . 0 0 "[ . 1]" 1
374 1 76 ILE MG 1 77 GLN H . . 4.470 2.867 2.693 3.098 . 0 0 "[ . 1]" 1
375 1 78 VAL MG2 1 79 SER H . . 4.850 3.678 3.644 3.765 . 0 0 "[ . 1]" 1
376 1 90 THR MG 1 91 VAL H . . 4.940 3.460 2.116 3.853 . 0 0 "[ . 1]" 1
377 1 91 VAL MG2 1 92 TYR H . . 5.590 3.201 2.227 3.811 . 0 0 "[ . 1]" 1
378 1 93 THR H 1 93 THR MG . . 4.630 2.753 2.109 3.983 . 0 0 "[ . 1]" 1
379 1 93 THR MG 1 94 THR H . . 4.320 3.470 2.400 4.028 . 0 0 "[ . 1]" 1
380 1 95 THR H 1 95 THR MG . . 4.500 2.998 2.077 3.870 . 0 0 "[ . 1]" 1
381 1 94 THR MG 1 96 THR H . . 5.710 3.268 2.759 5.065 . 0 0 "[ . 1]" 1
382 1 94 THR MG 1 97 GLY H . . 4.840 3.312 2.870 4.425 . 0 0 "[ . 1]" 1
383 1 104 ILE H 1 104 ILE MD . . 5.160 3.435 2.843 3.896 . 0 0 "[ . 1]" 1
384 1 105 THR MG 1 106 PHE H . . 4.910 3.359 2.775 4.150 . 0 0 "[ . 1]" 1
385 1 110 THR MG 1 111 ALA H . . 4.350 2.905 2.821 2.986 . 0 0 "[ . 1]" 1
386 1 116 VAL MG1 1 117 HIS H . . 5.560 2.540 2.383 2.753 . 0 0 "[ . 1]" 1
387 1 108 ALA H 1 108 ALA MB . . 3.570 2.288 2.186 2.344 . 0 0 "[ . 1]" 1
388 1 110 THR H 1 110 THR MG . . 4.190 3.677 3.636 3.710 . 0 0 "[ . 1]" 1
389 1 53 LEU H 1 53 LEU MD1 . . 5.370 4.534 4.474 4.577 . 0 0 "[ . 1]" 1
390 1 94 THR H 1 94 THR MG . . 4.570 3.634 2.631 3.840 . 0 0 "[ . 1]" 1
391 1 19 ILE MD 1 21 GLY H . . 4.940 3.471 1.904 4.907 . 0 0 "[ . 1]" 1
392 1 9 ALA MB 1 11 ASN H . . 5.150 4.134 3.935 4.604 . 0 0 "[ . 1]" 1
393 1 116 VAL MG2 1 117 HIS H . . 5.560 4.104 3.994 4.168 . 0 0 "[ . 1]" 1
394 1 51 VAL MG2 1 52 ASN H . . 5.560 3.803 3.759 3.910 . 0 0 "[ . 1]" 1
395 1 13 THR H 1 13 THR MG . . 4.630 2.668 2.289 2.901 . 0 0 "[ . 1]" 1
396 1 15 THR H 1 15 THR MG . . 4.630 3.842 3.759 3.896 . 0 0 "[ . 1]" 1
397 1 9 ALA MB 1 11 ASN HD22 . . 5.900 5.805 5.577 5.921 0.021 4 0 "[ . 1]" 1
398 1 9 ALA MB 1 11 ASN HD21 . . 5.900 5.386 4.977 5.802 . 0 0 "[ . 1]" 1
399 1 49 ILE H 1 49 ILE MD . . 5.810 4.558 3.716 4.846 . 0 0 "[ . 1]" 1
400 1 9 ALA MB 1 10 LEU H . . 5.120 3.583 3.477 3.678 . 0 0 "[ . 1]" 1
401 1 53 LEU MD1 1 54 GLY H . . 6.330 4.371 4.180 4.654 . 0 0 "[ . 1]" 1
402 1 89 THR MG 1 90 THR H . . 4.410 2.974 2.613 3.270 . 0 0 "[ . 1]" 1
403 1 94 THR MG 1 95 THR H . . 6.520 2.959 2.675 4.020 . 0 0 "[ . 1]" 1
404 1 104 ILE MD 1 105 THR H . . 5.310 4.167 3.371 5.291 . 0 0 "[ . 1]" 1
405 1 78 VAL MG1 1 79 SER H . . 4.850 3.858 3.775 3.916 . 0 0 "[ . 1]" 1
406 1 91 VAL MG1 1 92 TYR H . . 5.590 2.640 1.989 3.928 . 0 0 "[ . 1]" 1
407 1 64 LEU MD2 1 65 ASN H . . 5.650 3.290 2.565 4.306 . 0 0 "[ . 1]" 1
408 1 90 THR H 1 90 THR MG . . 4.530 2.494 1.976 3.806 . 0 0 "[ . 1]" 1
409 1 104 ILE MG 1 105 THR H . . 4.690 2.567 2.266 2.886 . 0 0 "[ . 1]" 1
410 1 64 LEU MD1 1 65 ASN H . . 5.650 4.543 2.500 5.095 . 0 0 "[ . 1]" 1
411 1 101 ILE MG 1 102 ASP H . . 4.970 3.247 2.380 4.111 . 0 0 "[ . 1]" 1
412 1 101 ILE MG 1 103 ASP H . . 5.250 4.392 3.721 5.212 . 0 0 "[ . 1]" 1
413 1 16 ALA MB 1 38 TRP HE1 . . 4.070 3.713 3.247 4.124 0.054 10 0 "[ . 1]" 1
414 1 93 THR H 1 94 THR MG . . 6.050 4.377 3.552 4.913 . 0 0 "[ . 1]" 1
415 1 57 GLN H 1 110 THR MG . . 5.090 4.283 4.178 4.388 . 0 0 "[ . 1]" 1
416 1 79 SER H 1 111 ALA MB . . 4.840 2.957 2.876 3.148 . 0 0 "[ . 1]" 1
417 1 75 THR MG 1 94 THR H . . 5.060 2.767 1.926 3.891 . 0 0 "[ . 1]" 1
418 1 16 ALA MB 1 18 SER H . . 3.980 2.709 2.413 2.990 . 0 0 "[ . 1]" 1
419 1 69 ALA MB 1 125 TYR H . . 5.500 3.695 3.231 4.070 . 0 0 "[ . 1]" 1
420 1 29 ALA MB 1 132 PHE H . . 5.500 4.561 3.570 5.402 . 0 0 "[ . 1]" 1
421 1 20 GLU H 1 39 ALA MB . . 5.560 4.402 3.918 4.817 . 0 0 "[ . 1]" 1
422 1 11 ASN HA 1 11 ASN HB2 . . 2.960 2.423 2.310 2.615 . 0 0 "[ . 1]" 1
423 1 11 ASN HA 1 11 ASN HB3 . . 2.960 2.512 2.322 2.635 . 0 0 "[ . 1]" 1
424 1 34 SER HA 1 34 SER HB3 . . 2.830 2.579 2.316 2.741 . 0 0 "[ . 1]" 1
425 1 34 SER HA 1 34 SER HB2 . . 2.830 2.372 2.262 2.636 . 0 0 "[ . 1]" 1
426 1 35 THR HA 1 35 THR HB . . 2.960 2.705 2.501 2.944 . 0 0 "[ . 1]" 1
427 1 36 THR HA 1 36 THR HB . . 2.990 2.843 2.718 2.913 . 0 0 "[ . 1]" 1
428 1 51 VAL HA 1 51 VAL HB . . 2.990 2.551 2.528 2.615 . 0 0 "[ . 1]" 1
429 1 55 SER HA 1 55 SER HB2 . . 2.710 2.735 2.731 2.739 0.029 1 0 "[ . 1]" 1
430 1 55 SER HA 1 55 SER HB3 . . 2.710 2.264 2.262 2.266 . 0 0 "[ . 1]" 1
431 1 57 GLN HA 1 57 GLN HB3 . . 2.830 2.342 2.281 2.379 . 0 0 "[ . 1]" 1
432 1 60 ASN HA 1 60 ASN HB2 . . 3.020 2.314 2.261 2.403 . 0 0 "[ . 1]" 1
433 1 91 VAL HA 1 91 VAL HB . . 2.800 2.421 2.391 2.478 . 0 0 "[ . 1]" 1
434 1 94 THR HA 1 94 THR HB . . 2.770 2.755 2.324 2.862 0.092 10 0 "[ . 1]" 1
435 1 95 THR HA 1 95 THR HB . . 2.830 2.659 2.352 2.878 0.048 3 0 "[ . 1]" 1
436 1 105 THR HA 1 105 THR HB . . 2.990 2.769 2.407 3.024 0.034 10 0 "[ . 1]" 1
437 1 107 THR HA 1 107 THR HB . . 2.900 2.807 2.713 2.883 . 0 0 "[ . 1]" 1
438 1 109 ARG HA 1 109 ARG HB3 . . 2.860 2.849 2.752 2.903 0.043 6 0 "[ . 1]" 1
439 1 109 ARG HA 1 109 ARG HB2 . . 2.860 2.847 2.789 2.931 0.071 10 0 "[ . 1]" 1
440 1 110 THR HA 1 110 THR HB . . 2.830 2.885 2.873 2.890 0.060 3 0 "[ . 1]" 1
441 1 18 SER HA 1 18 SER HB2 . . 2.830 2.837 2.792 2.871 0.041 3 0 "[ . 1]" 1
442 1 18 SER HA 1 18 SER HB3 . . 2.830 2.240 2.238 2.245 . 0 0 "[ . 1]" 1
443 1 48 TRP HA 1 117 HIS HA . . 3.890 2.920 1.967 3.209 . 0 0 "[ . 1]" 1
444 1 75 THR HA 1 93 THR HA . . 3.080 2.184 2.071 2.326 . 0 0 "[ . 1]" 1
445 1 73 SER HA 1 95 THR HA . . 2.860 2.298 2.202 2.447 . 0 0 "[ . 1]" 1
446 1 74 TYR H 1 95 THR HA . . 3.480 2.831 2.688 2.969 . 0 0 "[ . 1]" 1
447 1 77 GLN HA 1 90 THR HA . . 3.830 2.016 1.961 2.260 . 0 0 "[ . 1]" 1
448 1 56 SER HA 1 112 LYS HA . . 3.050 2.054 1.962 2.486 . 0 0 "[ . 1]" 1
449 1 63 LYS HA 1 103 ASP HA . . 3.170 2.849 2.624 3.213 0.043 7 0 "[ . 1]" 1
450 1 37 ARG HA 1 130 TRP HA . . 3.550 3.479 3.215 3.605 0.055 9 0 "[ . 1]" 1
451 1 39 ALA HA 1 128 SER HA . . 3.020 2.611 2.229 2.831 . 0 0 "[ . 1]" 1
452 1 14 ALA HA 1 51 VAL HA . . 3.080 2.005 1.924 2.121 . 0 0 "[ . 1]" 1
453 1 60 ASN HA 1 108 ALA HA . . 2.990 3.017 2.977 3.062 0.072 5 0 "[ . 1]" 1
454 1 61 ARG HA 1 105 THR HA . . 3.270 2.503 2.433 2.658 . 0 0 "[ . 1]" 1
455 1 50 TYR HA 1 115 ARG HA . . 3.670 2.083 2.021 2.220 . 0 0 "[ . 1]" 1
456 1 52 ASN HA 1 113 TYR HA . . 4.630 4.584 4.121 4.738 0.108 3 0 "[ . 1]" 1
457 1 62 VAL HA 1 134 VAL HA . . 3.390 3.040 2.595 3.332 . 0 0 "[ . 1]" 1
458 1 46 PRO HA 1 119 THR HA . . 3.240 2.975 2.728 3.210 . 0 0 "[ . 1]" 1
459 1 76 ILE HA 1 116 VAL HA . . 3.520 2.692 2.358 2.923 . 0 0 "[ . 1]" 1
460 1 78 VAL HA 1 114 VAL HA . . 3.550 2.322 2.186 2.425 . 0 0 "[ . 1]" 1
461 1 74 TYR HA 1 118 GLY HA2 . . 3.980 2.529 1.989 2.631 . 0 0 "[ . 1]" 1
462 1 74 TYR HA 1 118 GLY HA3 . . 3.980 3.893 3.418 3.996 0.016 3 0 "[ . 1]" 1
463 1 42 GLU HA 1 126 GLY HA2 . . 3.110 2.697 1.984 3.111 0.001 8 0 "[ . 1]" 1
464 1 71 ALA HA 1 121 ARG HA . . 2.960 2.414 1.971 2.754 . 0 0 "[ . 1]" 1
465 1 19 ILE HA 1 40 SER HA . . 3.080 2.745 2.113 2.976 . 0 0 "[ . 1]" 1
466 1 13 THR HA 1 13 THR HB . . 2.900 2.530 2.387 2.631 . 0 0 "[ . 1]" 1
467 1 81 ASP HB2 1 85 PRO HA . . 3.360 2.491 2.388 2.566 . 0 0 "[ . 1]" 1
468 1 81 ASP HB3 1 85 PRO HA . . 3.860 3.933 3.848 3.966 0.106 2 0 "[ . 1]" 1
469 1 60 ASN HA 1 60 ASN HB3 . . 3.020 2.633 2.511 2.731 . 0 0 "[ . 1]" 1
470 1 20 GLU HA 1 41 ALA HA . . 3.520 3.490 2.414 3.735 0.215 10 0 "[ . 1]" 1
471 1 42 GLU HA 1 126 GLY HA3 . . 3.110 3.117 2.915 3.173 0.063 7 0 "[ . 1]" 1
472 1 80 ASN HA 1 111 ALA HA . . 3.390 2.806 2.329 3.511 0.121 1 0 "[ . 1]" 1
473 1 10 LEU HA 1 10 LEU HG . . 4.200 3.049 2.651 3.631 . 0 0 "[ . 1]" 1
474 1 60 ASN HB3 1 108 ALA HA . . 4.290 1.996 1.968 2.060 . 0 0 "[ . 1]" 1
475 1 26 ALA HA 1 38 TRP HD1 . . 4.640 3.963 3.309 4.425 . 0 0 "[ . 1]" 1
476 1 28 ARG HB3 1 36 THR HB . . 3.980 3.696 3.391 4.027 0.047 5 0 "[ . 1]" 1
477 1 28 ARG HB2 1 36 THR HB . . 4.480 3.722 3.265 4.243 . 0 0 "[ . 1]" 1
478 1 19 ILE QG 1 40 SER HA . . 5.700 5.368 4.804 5.763 0.063 10 0 "[ . 1]" 1
479 1 79 SER HB2 1 88 TRP HD1 . . 4.850 4.197 3.611 4.857 0.007 3 0 "[ . 1]" 1
480 1 79 SER HB3 1 88 TRP HD1 . . 4.850 4.315 3.432 4.869 0.019 8 0 "[ . 1]" 1
481 1 60 ASN HB2 1 108 ALA HA . . 4.290 2.700 2.408 3.155 . 0 0 "[ . 1]" 1
482 1 84 THR HA 1 85 PRO HD2 . . 3.520 1.998 1.963 2.043 . 0 0 "[ . 1]" 1
483 1 123 THR HA 1 124 PRO HD3 . . 3.920 2.353 2.336 2.362 . 0 0 "[ . 1]" 1
484 1 123 THR HA 1 124 PRO HD2 . . 3.920 2.518 2.484 2.534 . 0 0 "[ . 1]" 1
485 1 84 THR HA 1 85 PRO HD3 . . 3.520 2.779 2.708 2.859 . 0 0 "[ . 1]" 1
486 1 15 THR HB 1 48 TRP HD1 . . 5.690 5.715 5.667 5.767 0.077 3 0 "[ . 1]" 1
487 1 10 LEU HG 1 135 TYR HA . . 4.600 4.688 4.640 4.779 0.179 10 0 "[ . 1]" 1
488 1 123 THR HB 1 124 PRO HD2 . . 3.920 2.146 2.095 2.242 . 0 0 "[ . 1]" 1
489 1 123 THR HB 1 124 PRO HD3 . . 3.920 3.561 3.519 3.639 . 0 0 "[ . 1]" 1
490 1 24 PHE QD 1 38 TRP HA . . 4.670 3.921 3.278 4.639 . 0 0 "[ . 1]" 1
491 1 73 SER HA 1 95 THR HB . . 4.660 4.708 4.695 4.731 0.071 4 0 "[ . 1]" 1
492 1 9 ALA HA 1 53 LEU HG . . 3.860 3.007 2.540 3.960 0.100 10 0 "[ . 1]" 1
493 1 35 THR HA 1 35 THR MG . . 3.700 2.146 2.034 2.357 . 0 0 "[ . 1]" 1
494 1 44 VAL HA 1 44 VAL MG2 . . 3.730 2.331 2.276 2.378 . 0 0 "[ . 1]" 1
495 1 44 VAL HA 1 44 VAL MG1 . . 3.730 2.968 2.429 3.202 . 0 0 "[ . 1]" 1
496 1 86 THR HA 1 86 THR MG . . 3.670 2.348 2.329 2.379 . 0 0 "[ . 1]" 1
497 1 89 THR HA 1 89 THR MG . . 3.420 2.075 1.995 2.148 . 0 0 "[ . 1]" 1
498 1 96 THR HA 1 96 THR MG . . 3.600 2.213 1.955 2.376 . 0 0 "[ . 1]" 1
499 1 104 ILE HA 1 104 ILE MD . . 4.440 2.584 1.972 3.865 . 0 0 "[ . 1]" 1
500 1 9 ALA HA 1 51 VAL MG2 . . 4.810 4.124 3.672 4.301 . 0 0 "[ . 1]" 1
501 1 9 ALA MB 1 51 VAL MG2 . . 6.140 2.016 1.845 2.300 . 0 0 "[ . 1]" 1
502 1 9 ALA HA 1 51 VAL MG1 . . 4.810 4.599 4.271 4.828 0.018 9 0 "[ . 1]" 1
503 1 9 ALA MB 1 51 VAL MG1 . . 6.140 3.075 2.244 3.568 . 0 0 "[ . 1]" 1
504 1 12 LYS HB2 1 51 VAL MG1 . . 6.110 4.903 4.805 5.047 . 0 0 "[ . 1]" 1
505 1 26 ALA HA 1 49 ILE MG . . 6.520 5.415 3.712 6.540 0.020 9 0 "[ . 1]" 1
506 1 26 ALA MB 1 49 ILE MG . . 6.360 3.432 1.836 4.220 . 0 0 "[ . 1]" 1
507 1 26 ALA MB 1 49 ILE MD . . 6.240 2.227 1.707 3.714 . 0 0 "[ . 1]" 1
508 1 26 ALA MB 1 30 PHE QE . . 8.530 2.240 1.896 2.710 . 0 0 "[ . 1]" 1
509 1 30 PHE QE 1 49 ILE MG . . 8.650 3.903 2.691 4.728 . 0 0 "[ . 1]" 1
510 1 29 ALA MB 1 30 PHE QE . . 7.500 3.191 2.885 3.533 . 0 0 "[ . 1]" 1
511 1 29 ALA MB 1 30 PHE QD . . 7.220 2.684 2.076 3.333 . 0 0 "[ . 1]" 1
512 1 29 ALA MB 1 38 TRP HD1 . . 4.660 4.096 3.728 4.412 . 0 0 "[ . 1]" 1
513 1 29 ALA MB 1 38 TRP HB2 . . 4.720 2.297 1.905 3.380 . 0 0 "[ . 1]" 1
514 1 29 ALA MB 1 38 TRP HB3 . . 4.720 2.840 2.140 4.093 . 0 0 "[ . 1]" 1
515 1 29 ALA MB 1 49 ILE MD . . 6.080 3.706 3.281 4.448 . 0 0 "[ . 1]" 1
516 1 29 ALA MB 1 49 ILE MG . . 6.200 4.592 3.571 5.360 . 0 0 "[ . 1]" 1
517 1 29 ALA HA 1 49 ILE MD . . 6.520 6.296 5.857 6.765 0.245 6 0 "[ . 1]" 1
518 1 26 ALA HA 1 49 ILE MD . . 5.030 3.788 3.220 4.906 . 0 0 "[ . 1]" 1
519 1 30 PHE QE 1 49 ILE MD . . 7.100 3.658 2.858 5.057 . 0 0 "[ . 1]" 1
520 1 30 PHE HZ 1 49 ILE MD . . 5.620 4.430 1.962 5.659 0.039 6 0 "[ . 1]" 1
521 1 30 PHE QD 1 49 ILE MD . . 7.840 5.089 4.127 6.530 . 0 0 "[ . 1]" 1
522 1 38 TRP HD1 1 49 ILE MD . . 6.180 5.282 4.694 6.264 0.084 5 0 "[ . 1]" 1
523 1 49 ILE MG 1 116 VAL HB . . 4.940 2.768 1.938 4.621 . 0 0 "[ . 1]" 1
524 1 75 THR MG 1 93 THR HB . . 4.530 3.273 1.935 4.155 . 0 0 "[ . 1]" 1
525 1 73 SER HA 1 94 THR MG . . 5.430 5.372 5.000 5.455 0.025 8 0 "[ . 1]" 1
526 1 76 ILE MG 1 91 VAL MG1 . . 6.080 2.375 1.846 3.293 . 0 0 "[ . 1]" 1
527 1 76 ILE MG 1 91 VAL MG2 . . 6.080 3.286 1.900 4.310 . 0 0 "[ . 1]" 1
528 1 101 ILE HA 1 101 ILE MD . . 4.570 2.597 2.033 3.480 . 0 0 "[ . 1]" 1
529 1 76 ILE MD 1 104 ILE MG . . 6.390 2.445 1.799 3.654 . 0 0 "[ . 1]" 1
530 1 60 ASN HB3 1 108 ALA MB . . 4.880 2.363 2.182 2.542 . 0 0 "[ . 1]" 1
531 1 60 ASN HB2 1 108 ALA MB . . 4.880 3.193 3.105 3.583 . 0 0 "[ . 1]" 1
532 1 60 ASN HA 1 108 ALA MB . . 4.810 4.299 4.241 4.362 . 0 0 "[ . 1]" 1
533 1 100 GLY QA 1 101 ILE MD . . 6.560 4.179 2.711 5.672 . 0 0 "[ . 1]" 1
534 1 12 LYS HB3 1 51 VAL MG1 . . 6.110 4.669 4.519 4.770 . 0 0 "[ . 1]" 1
535 1 12 LYS HB2 1 51 VAL MG2 . . 6.110 5.184 5.015 5.262 . 0 0 "[ . 1]" 1
536 1 19 ILE MD 1 22 ALA HA . . 5.090 4.499 3.722 5.176 0.086 3 0 "[ . 1]" 1
537 1 49 ILE MG 1 50 TYR HA . . 6.150 3.973 3.576 5.469 . 0 0 "[ . 1]" 1
538 1 14 ALA MB 1 30 PHE QE . . 7.350 2.800 2.247 3.720 . 0 0 "[ . 1]" 1
539 1 14 ALA MB 1 30 PHE QD . . 7.280 2.993 2.137 3.499 . 0 0 "[ . 1]" 1
540 1 14 ALA MB 1 30 PHE HZ . . 6.240 4.394 3.795 4.966 . 0 0 "[ . 1]" 1
541 1 9 ALA MB 1 30 PHE QE . . 8.650 4.733 4.014 5.966 . 0 0 "[ . 1]" 1
542 1 9 ALA MB 1 30 PHE QD . . 8.120 4.467 3.806 5.385 . 0 0 "[ . 1]" 1
543 1 30 PHE HZ 1 49 ILE MG . . 4.600 3.905 3.314 4.498 . 0 0 "[ . 1]" 1
544 1 30 PHE QD 1 49 ILE MG . . 7.130 5.682 4.427 6.421 . 0 0 "[ . 1]" 1
545 1 49 ILE MG 1 129 LEU HG . . 7.020 6.660 5.187 7.176 0.156 5 0 "[ . 1]" 1
546 1 76 ILE MD 1 104 ILE HB . . 4.100 3.134 2.181 4.148 0.048 9 0 "[ . 1]" 1
547 1 76 ILE MG 1 92 TYR HB2 . . 4.840 4.863 4.761 4.922 0.082 3 0 "[ . 1]" 1
548 1 76 ILE MG 1 92 TYR HB3 . . 4.840 4.159 3.940 4.417 . 0 0 "[ . 1]" 1
549 1 26 ALA MB 1 38 TRP HD1 . . 5.310 5.010 3.953 5.390 0.080 6 0 "[ . 1]" 1
550 1 26 ALA MB 1 38 TRP HZ2 . . 6.120 3.975 2.372 5.012 . 0 0 "[ . 1]" 1
551 1 56 SER QB 1 110 THR MG . . 5.910 4.003 3.663 4.536 . 0 0 "[ . 1]" 1
552 1 14 ALA MB 1 15 THR HA . . 4.660 4.032 3.981 4.088 . 0 0 "[ . 1]" 1
553 1 16 ALA MB 1 49 ILE HB . . 4.320 3.046 2.408 4.383 0.063 6 0 "[ . 1]" 1
554 1 15 THR HA 1 16 ALA MB . . 5.310 3.888 3.772 3.940 . 0 0 "[ . 1]" 1
555 1 38 TRP HA 1 39 ALA MB . . 4.600 3.979 3.918 4.018 . 0 0 "[ . 1]" 1
556 1 78 VAL HB 1 111 ALA MB . . 4.070 1.917 1.858 1.958 . 0 0 "[ . 1]" 1
557 1 92 TYR HB3 1 104 ILE MG . . 5.280 2.170 1.990 2.322 . 0 0 "[ . 1]" 1
558 1 92 TYR HB2 1 104 ILE MG . . 5.280 2.562 2.390 2.869 . 0 0 "[ . 1]" 1
559 1 69 ALA MB 1 127 TYR HA . . 4.780 3.700 2.448 4.778 . 0 0 "[ . 1]" 1
560 1 64 LEU MD1 1 76 ILE MD . . 6.080 3.672 2.521 5.517 . 0 0 "[ . 1]" 1
561 1 64 LEU MD2 1 76 ILE MD . . 6.080 4.809 3.247 5.992 . 0 0 "[ . 1]" 1
562 1 9 ALA MB 1 52 ASN HA . . 5.120 5.174 5.061 5.289 0.169 10 0 "[ . 1]" 1
563 1 84 THR MG 1 85 PRO HD3 . . 5.310 4.439 4.325 4.511 . 0 0 "[ . 1]" 1
564 1 84 THR MG 1 85 PRO HD2 . . 5.310 3.580 3.351 3.942 . 0 0 "[ . 1]" 1
565 1 27 SER HA 1 29 ALA MB . . 4.940 4.863 4.706 4.988 0.048 7 0 "[ . 1]" 1
566 1 24 PHE HB2 1 39 ALA MB . . 4.660 4.487 3.861 4.763 0.103 10 0 "[ . 1]" 1
567 1 24 PHE HB3 1 39 ALA MB . . 4.660 3.561 2.867 4.178 . 0 0 "[ . 1]" 1
568 1 58 THR MG 1 59 VAL HB . . 4.790 4.790 4.568 5.188 0.398 8 0 "[ . 1]" 1
569 1 65 ASN HA 1 101 ILE MD . . 4.940 3.815 2.799 4.944 0.004 5 0 "[ . 1]" 1
570 1 73 SER HA 1 96 THR MG . . 5.810 5.853 5.806 5.916 0.106 9 0 "[ . 1]" 1
571 1 94 THR MG 1 95 THR HA . . 5.900 4.968 4.670 5.448 . 0 0 "[ . 1]" 1
572 1 69 ALA MB 1 128 SER HB2 . . 4.810 3.291 1.996 4.800 . 0 0 "[ . 1]" 1
573 1 69 ALA MB 1 128 SER HB3 . . 4.810 3.191 2.397 3.626 . 0 0 "[ . 1]" 1
574 1 123 THR MG 1 124 PRO HD2 . . 5.120 2.113 2.026 2.157 . 0 0 "[ . 1]" 1
575 1 123 THR MG 1 124 PRO HD3 . . 5.120 2.867 2.815 3.013 . 0 0 "[ . 1]" 1
576 1 24 PHE QD 1 39 ALA MB . . 5.620 3.796 3.226 4.217 . 0 0 "[ . 1]" 1
577 1 78 VAL HA 1 111 ALA MB . . 5.400 3.680 3.622 3.761 . 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 251
_Distance_constraint_stats_list.Viol_count 305
_Distance_constraint_stats_list.Viol_total 225.714
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0090
_Distance_constraint_stats_list.Viol_average_violations_only 0.0740
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 ASN 0.000 0.000 . 0 "[ . 1]"
1 8 LEU 0.000 0.000 . 0 "[ . 1]"
1 9 ALA 0.292 0.097 6 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 11 ASN 0.292 0.097 6 0 "[ . 1]"
1 12 LYS 0.678 0.175 10 0 "[ . 1]"
1 13 THR 0.311 0.101 5 0 "[ . 1]"
1 14 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 1.114 0.244 6 0 "[ . 1]"
1 17 SER 0.011 0.011 8 0 "[ . 1]"
1 18 SER 0.165 0.070 3 0 "[ . 1]"
1 19 ILE 0.150 0.070 3 0 "[ . 1]"
1 20 GLU 0.077 0.033 6 0 "[ . 1]"
1 21 GLY 0.077 0.033 6 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 1.114 0.244 6 0 "[ . 1]"
1 24 PHE 2.311 0.375 8 0 "[ . 1]"
1 25 GLU 3.738 0.375 8 0 "[ . 1]"
1 26 ALA 0.000 0.000 . 0 "[ . 1]"
1 28 ARG 0.711 0.123 9 0 "[ . 1]"
1 29 ALA 1.528 0.253 9 0 "[ . 1]"
1 30 PHE 0.365 0.116 9 0 "[ . 1]"
1 31 ASP 0.000 0.000 . 0 "[ . 1]"
1 32 GLY 0.000 0.000 . 0 "[ . 1]"
1 33 SER 0.000 0.000 . 0 "[ . 1]"
1 34 SER 0.000 0.000 . 0 "[ . 1]"
1 35 THR 0.000 0.000 . 0 "[ . 1]"
1 36 THR 0.000 0.000 . 0 "[ . 1]"
1 37 ARG 0.113 0.049 9 0 "[ . 1]"
1 38 TRP 1.513 0.166 10 0 "[ . 1]"
1 39 ALA 0.268 0.095 5 0 "[ . 1]"
1 40 SER 0.288 0.152 10 0 "[ . 1]"
1 41 ALA 0.280 0.152 10 0 "[ . 1]"
1 42 GLU 0.243 0.120 9 0 "[ . 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 44 VAL 0.250 0.103 6 0 "[ . 1]"
1 45 ASP 1.077 0.145 4 0 "[ . 1]"
1 46 PRO 0.000 0.000 . 0 "[ . 1]"
1 47 GLN 0.576 0.124 3 0 "[ . 1]"
1 48 TRP 0.322 0.063 4 0 "[ . 1]"
1 49 ILE 0.852 0.166 10 0 "[ . 1]"
1 50 TYR 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 1.258 0.194 5 0 "[ . 1]"
1 52 ASN 0.311 0.101 5 0 "[ . 1]"
1 53 LEU 0.612 0.194 5 0 "[ . 1]"
1 54 GLY 0.000 0.000 . 0 "[ . 1]"
1 55 SER 0.000 0.000 . 0 "[ . 1]"
1 56 SER 0.000 0.000 . 0 "[ . 1]"
1 57 GLN 0.242 0.079 1 0 "[ . 1]"
1 59 VAL 0.204 0.054 1 0 "[ . 1]"
1 60 ASN 0.045 0.045 10 0 "[ . 1]"
1 62 VAL 1.416 0.183 2 0 "[ . 1]"
1 64 LEU 0.790 0.102 6 0 "[ . 1]"
1 65 ASN 0.317 0.061 5 0 "[ . 1]"
1 66 TRP 0.208 0.082 2 0 "[ . 1]"
1 67 GLU 0.108 0.082 2 0 "[ . 1]"
1 68 ALA 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 0.069 0.040 9 0 "[ . 1]"
1 72 SER 0.000 0.000 . 0 "[ . 1]"
1 73 SER 0.857 0.171 9 0 "[ . 1]"
1 76 ILE 0.018 0.018 5 0 "[ . 1]"
1 77 GLN 0.491 0.130 4 0 "[ . 1]"
1 78 VAL 0.204 0.054 1 0 "[ . 1]"
1 79 SER 0.000 0.000 . 0 "[ . 1]"
1 80 ASN 0.000 0.000 . 0 "[ . 1]"
1 81 ASP 0.363 0.076 6 0 "[ . 1]"
1 82 SER 0.389 0.076 6 0 "[ . 1]"
1 84 THR 0.000 0.000 . 0 "[ . 1]"
1 85 PRO 0.019 0.019 9 0 "[ . 1]"
1 87 ASN 0.221 0.177 5 0 "[ . 1]"
1 88 TRP 0.045 0.029 5 0 "[ . 1]"
1 89 THR 0.000 0.000 . 0 "[ . 1]"
1 90 THR 2.356 0.288 7 0 "[ . 1]"
1 91 VAL 1.107 0.374 6 0 "[ . 1]"
1 92 TYR 1.125 0.374 6 0 "[ . 1]"
1 97 GLY 0.857 0.171 9 0 "[ . 1]"
1 98 ASP 0.000 0.000 . 0 "[ . 1]"
1 101 ILE 0.000 0.000 . 0 "[ . 1]"
1 102 ASP 0.151 0.046 2 0 "[ . 1]"
1 103 ASP 0.101 0.046 2 0 "[ . 1]"
1 104 ILE 0.458 0.183 2 0 "[ . 1]"
1 106 PHE 0.000 0.000 . 0 "[ . 1]"
1 107 THR 0.000 0.000 . 0 "[ . 1]"
1 108 ALA 0.000 0.000 . 0 "[ . 1]"
1 109 ARG 2.356 0.288 7 0 "[ . 1]"
1 111 ALA 0.000 0.000 . 0 "[ . 1]"
1 112 LYS 0.000 0.000 . 0 "[ . 1]"
1 113 TYR 0.000 0.000 . 0 "[ . 1]"
1 114 VAL 0.958 0.158 2 0 "[ . 1]"
1 115 ARG 1.552 0.218 4 0 "[ . 1]"
1 116 VAL 0.958 0.218 4 0 "[ . 1]"
1 117 HIS 0.000 0.000 . 0 "[ . 1]"
1 120 VAL 0.000 0.000 . 0 "[ . 1]"
1 121 ARG 0.042 0.025 8 0 "[ . 1]"
1 122 GLY 0.000 0.000 . 0 "[ . 1]"
1 123 THR 0.000 0.000 . 0 "[ . 1]"
1 124 PRO 0.000 0.000 . 0 "[ . 1]"
1 125 TYR 0.311 0.120 9 0 "[ . 1]"
1 126 GLY 0.000 0.000 . 0 "[ . 1]"
1 127 TYR 0.134 0.134 8 0 "[ . 1]"
1 128 SER 0.430 0.095 5 0 "[ . 1]"
1 129 LEU 0.952 0.167 9 0 "[ . 1]"
1 130 TRP 0.060 0.031 6 0 "[ . 1]"
1 131 GLU 0.728 0.167 9 0 "[ . 1]"
1 132 PHE 0.586 0.121 9 0 "[ . 1]"
1 133 GLU 0.747 0.183 9 0 "[ . 1]"
1 134 VAL 0.013 0.013 4 0 "[ . 1]"
1 135 TYR 0.000 0.000 . 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 7 ASN H 1 7 ASN QB . . 3.010 2.591 2.211 2.690 . 0 0 "[ . 1]" 2
2 1 8 LEU QB 1 9 ALA H . . 2.900 2.705 2.468 2.815 . 0 0 "[ . 1]" 2
3 1 9 ALA H 1 51 VAL QG . . 6.330 4.691 3.979 5.418 . 0 0 "[ . 1]" 2
4 1 9 ALA HA 1 12 LYS QB . . 3.730 2.345 2.145 3.187 . 0 0 "[ . 1]" 2
5 1 9 ALA MB 1 11 ASN QB . . 6.260 6.262 6.160 6.357 0.097 6 0 "[ . 1]" 2
6 1 9 ALA MB 1 11 ASN QD . . 5.110 4.943 4.662 5.123 0.013 10 0 "[ . 1]" 2
7 1 9 ALA MB 1 51 VAL QG . . 5.320 1.984 1.764 2.270 . 0 0 "[ . 1]" 2
8 1 9 ALA MB 1 53 LEU QB . . 5.220 3.538 2.983 4.193 . 0 0 "[ . 1]" 2
9 1 10 LEU H 1 10 LEU QB . . 2.700 2.215 2.152 2.556 . 0 0 "[ . 1]" 2
10 1 10 LEU HA 1 10 LEU QB . . 2.560 2.526 2.491 2.532 . 0 0 "[ . 1]" 2
11 1 10 LEU HA 1 10 LEU QD . . 3.630 2.035 1.886 2.140 . 0 0 "[ . 1]" 2
12 1 10 LEU QB 1 10 LEU HG . . 2.630 2.247 2.161 2.314 . 0 0 "[ . 1]" 2
13 1 10 LEU QD 1 11 ASN H . . 5.040 4.015 3.733 4.174 . 0 0 "[ . 1]" 2
14 1 10 LEU QD 1 11 ASN QD . . 5.490 4.811 4.027 5.328 . 0 0 "[ . 1]" 2
15 1 10 LEU QD 1 31 ASP HA . . 4.900 4.311 3.059 4.779 . 0 0 "[ . 1]" 2
16 1 10 LEU QD 1 32 GLY H . . 4.980 4.145 3.525 4.470 . 0 0 "[ . 1]" 2
17 1 11 ASN H 1 11 ASN QD . . 5.050 2.753 2.396 3.268 . 0 0 "[ . 1]" 2
18 1 11 ASN QB 1 11 ASN QD . . 3.090 2.386 2.292 2.448 . 0 0 "[ . 1]" 2
19 1 11 ASN QB 1 12 LYS H . . 3.590 3.517 3.447 3.577 . 0 0 "[ . 1]" 2
20 1 11 ASN QD 1 12 LYS H . . 4.200 2.299 2.108 2.965 . 0 0 "[ . 1]" 2
21 1 12 LYS H 1 12 LYS QB . . 2.700 2.057 2.038 2.069 . 0 0 "[ . 1]" 2
22 1 12 LYS HA 1 12 LYS QB . . 2.580 2.536 2.534 2.539 . 0 0 "[ . 1]" 2
23 1 12 LYS HA 1 51 VAL QG . . 5.850 5.875 5.796 6.025 0.175 10 0 "[ . 1]" 2
24 1 12 LYS QB 1 51 VAL QG . . 3.910 3.934 3.855 3.984 0.074 4 0 "[ . 1]" 2
25 1 12 LYS HB3 1 51 VAL MG2 . . 6.110 5.233 5.046 5.383 . 0 0 "[ . 1]" 2
26 1 12 LYS QB 1 52 ASN H . . 4.680 3.631 3.483 3.943 . 0 0 "[ . 1]" 2
27 1 13 THR H 1 51 VAL QG . . 5.610 5.249 5.124 5.408 . 0 0 "[ . 1]" 2
28 1 13 THR H 1 52 ASN QB . . 4.140 4.118 3.913 4.241 0.101 5 0 "[ . 1]" 2
29 1 14 ALA HA 1 51 VAL QG . . 5.470 2.941 2.390 3.301 . 0 0 "[ . 1]" 2
30 1 14 ALA MB 1 51 VAL QG . . 5.620 1.868 1.699 2.134 . 0 0 "[ . 1]" 2
31 1 16 ALA MB 1 23 GLY QA . . 6.220 6.331 6.245 6.464 0.244 6 0 "[ . 1]" 2
32 1 17 SER QB 1 18 SER H . . 3.590 2.772 2.579 2.985 . 0 0 "[ . 1]" 2
33 1 17 SER QB 1 48 TRP H . . 4.470 2.413 1.885 3.333 . 0 0 "[ . 1]" 2
34 1 17 SER QB 1 48 TRP HZ2 . . 4.910 4.281 3.086 4.921 0.011 8 0 "[ . 1]" 2
35 1 18 SER QB 1 19 ILE H . . 2.820 2.623 2.093 2.890 0.070 3 0 "[ . 1]" 2
36 1 18 SER QB 1 19 ILE MD . . 4.250 4.039 3.597 4.288 0.038 8 0 "[ . 1]" 2
37 1 18 SER QB 1 41 ALA MB . . 4.210 3.742 2.426 4.225 0.015 1 0 "[ . 1]" 2
38 1 19 ILE QG 1 21 GLY QA . . 6.160 4.910 3.378 5.875 . 0 0 "[ . 1]" 2
39 1 19 ILE MD 1 21 GLY QA . . 6.240 3.908 2.017 5.679 . 0 0 "[ . 1]" 2
40 1 20 GLU H 1 20 GLU QB . . 3.140 2.268 2.239 2.294 . 0 0 "[ . 1]" 2
41 1 20 GLU HA 1 20 GLU QG . . 3.480 2.616 2.366 3.007 . 0 0 "[ . 1]" 2
42 1 20 GLU QB 1 20 GLU QG . . 2.340 2.018 2.003 2.056 . 0 0 "[ . 1]" 2
43 1 20 GLU QB 1 21 GLY H . . 2.980 2.923 2.682 3.013 0.033 6 0 "[ . 1]" 2
44 1 20 GLU QB 1 24 PHE QD . . 5.110 2.981 1.982 4.081 . 0 0 "[ . 1]" 2
45 1 20 GLU QG 1 24 PHE QD . . 5.530 3.943 2.399 5.479 . 0 0 "[ . 1]" 2
46 1 21 GLY H 1 24 PHE QB . . 3.320 2.459 1.949 2.886 . 0 0 "[ . 1]" 2
47 1 21 GLY QA 1 22 ALA H . . 2.540 2.134 2.109 2.283 . 0 0 "[ . 1]" 2
48 1 24 PHE H 1 24 PHE QB . . 2.920 2.275 2.186 2.480 . 0 0 "[ . 1]" 2
49 1 24 PHE QB 1 25 GLU H . . 3.470 3.691 3.559 3.845 0.375 8 0 "[ . 1]" 2
50 1 24 PHE QB 1 39 ALA H . . 3.500 2.931 2.684 3.058 . 0 0 "[ . 1]" 2
51 1 24 PHE QB 1 39 ALA MB . . 3.850 3.421 2.794 3.913 0.063 4 0 "[ . 1]" 2
52 1 25 GLU H 1 25 GLU QB . . 2.820 2.432 2.041 2.642 . 0 0 "[ . 1]" 2
53 1 25 GLU HA 1 25 GLU QB . . 2.630 2.396 2.290 2.539 . 0 0 "[ . 1]" 2
54 1 25 GLU QB 1 26 ALA H . . 3.110 2.026 1.867 2.299 . 0 0 "[ . 1]" 2
55 1 25 GLU QB 1 29 ALA MB . . 5.170 5.323 5.271 5.423 0.253 9 0 "[ . 1]" 2
56 1 26 ALA MB 1 30 PHE QB . . 6.290 4.415 3.992 4.898 . 0 0 "[ . 1]" 2
57 1 28 ARG H 1 28 ARG QB . . 2.720 2.346 2.293 2.386 . 0 0 "[ . 1]" 2
58 1 28 ARG H 1 28 ARG QD . . 5.030 4.604 4.283 4.900 . 0 0 "[ . 1]" 2
59 1 28 ARG QB 1 28 ARG QG . . 2.180 2.024 2.015 2.041 . 0 0 "[ . 1]" 2
60 1 28 ARG QB 1 29 ALA H . . 3.560 3.330 3.041 3.515 . 0 0 "[ . 1]" 2
61 1 28 ARG QB 1 36 THR HB . . 3.910 3.296 3.006 3.657 . 0 0 "[ . 1]" 2
62 1 28 ARG QG 1 29 ALA MB . . 5.580 5.164 4.652 5.462 . 0 0 "[ . 1]" 2
63 1 28 ARG QG 1 37 ARG H . . 4.230 3.949 3.584 4.279 0.049 9 0 "[ . 1]" 2
64 1 28 ARG QG 1 38 TRP H . . 4.590 4.655 4.613 4.713 0.123 9 0 "[ . 1]" 2
65 1 29 ALA MB 1 38 TRP QB . . 3.900 2.194 1.781 3.228 . 0 0 "[ . 1]" 2
66 1 30 PHE H 1 30 PHE QB . . 3.320 2.511 2.375 2.685 . 0 0 "[ . 1]" 2
67 1 30 PHE QB 1 31 ASP H . . 3.790 3.332 3.315 3.379 . 0 0 "[ . 1]" 2
68 1 30 PHE QD 1 51 VAL QG . . 8.440 3.012 2.579 3.401 . 0 0 "[ . 1]" 2
69 1 30 PHE QD 1 129 LEU QD . . 7.830 5.876 5.729 6.069 . 0 0 "[ . 1]" 2
70 1 30 PHE QE 1 51 VAL QG . . 8.180 2.559 2.140 3.143 . 0 0 "[ . 1]" 2
71 1 30 PHE HZ 1 51 VAL QG . . 6.420 2.925 2.260 3.568 . 0 0 "[ . 1]" 2
72 1 30 PHE HZ 1 129 LEU QD . . 5.610 5.626 5.458 5.726 0.116 9 0 "[ . 1]" 2
73 1 31 ASP H 1 31 ASP QB . . 3.230 2.176 2.058 2.268 . 0 0 "[ . 1]" 2
74 1 31 ASP QB 1 33 SER H . . 3.620 2.535 2.466 2.777 . 0 0 "[ . 1]" 2
75 1 34 SER HA 1 34 SER QB . . 2.430 2.177 2.161 2.190 . 0 0 "[ . 1]" 2
76 1 34 SER QB 1 35 THR H . . 3.850 3.536 3.370 3.646 . 0 0 "[ . 1]" 2
77 1 37 ARG QB 1 130 TRP QB . . 4.040 3.891 3.574 4.071 0.031 6 0 "[ . 1]" 2
78 1 38 TRP H 1 38 TRP QB . . 2.850 2.265 2.219 2.356 . 0 0 "[ . 1]" 2
79 1 38 TRP QB 1 49 ILE MG . . 6.290 6.305 6.041 6.456 0.166 10 0 "[ . 1]" 2
80 1 38 TRP HD1 1 129 LEU QD . . 6.420 5.250 4.141 6.271 . 0 0 "[ . 1]" 2
81 1 38 TRP HZ2 1 40 SER QB . . 4.880 3.971 3.291 4.900 0.020 6 0 "[ . 1]" 2
82 1 38 TRP HZ2 1 64 LEU QD . . 6.180 6.162 5.784 6.275 0.095 10 0 "[ . 1]" 2
83 1 38 TRP HZ2 1 129 LEU QD . . 6.120 4.221 3.632 5.441 . 0 0 "[ . 1]" 2
84 1 39 ALA HA 1 128 SER QB . . 4.210 4.044 3.236 4.305 0.095 5 0 "[ . 1]" 2
85 1 39 ALA MB 1 128 SER QB . . 4.820 4.057 3.290 4.468 . 0 0 "[ . 1]" 2
86 1 40 SER H 1 40 SER QB . . 3.100 2.892 2.415 3.103 0.003 6 0 "[ . 1]" 2
87 1 40 SER QB 1 41 ALA H . . 3.190 2.998 2.774 3.342 0.152 10 0 "[ . 1]" 2
88 1 42 GLU H 1 42 GLU QB . . 2.820 2.661 2.436 2.817 . 0 0 "[ . 1]" 2
89 1 42 GLU H 1 42 GLU QG . . 3.770 2.382 2.075 2.758 . 0 0 "[ . 1]" 2
90 1 42 GLU HA 1 42 GLU QB . . 2.580 2.186 2.179 2.245 . 0 0 "[ . 1]" 2
91 1 42 GLU QB 1 42 GLU QG . . 2.240 2.029 2.017 2.046 . 0 0 "[ . 1]" 2
92 1 42 GLU QB 1 43 GLY H . . 3.260 2.260 1.896 2.490 . 0 0 "[ . 1]" 2
93 1 42 GLU QB 1 125 TYR HA . . 3.640 3.514 3.017 3.760 0.120 9 0 "[ . 1]" 2
94 1 42 GLU QG 1 126 GLY QA . . 5.180 4.004 3.351 4.687 . 0 0 "[ . 1]" 2
95 1 43 GLY QA 1 44 VAL QG . . 4.600 3.613 3.301 3.794 . 0 0 "[ . 1]" 2
96 1 44 VAL QG 1 45 ASP H . . 4.320 2.556 2.268 2.733 . 0 0 "[ . 1]" 2
97 1 44 VAL QG 1 47 GLN H . . 5.770 5.708 5.561 5.873 0.103 6 0 "[ . 1]" 2
98 1 44 VAL QG 1 47 GLN QE . . 4.900 4.127 3.430 4.908 0.008 6 0 "[ . 1]" 2
99 1 45 ASP H 1 45 ASP QB . . 3.040 3.148 3.088 3.185 0.145 4 0 "[ . 1]" 2
100 1 46 PRO QB 1 47 GLN H . . 2.940 2.481 2.345 2.769 . 0 0 "[ . 1]" 2
101 1 47 GLN HA 1 47 GLN QG . . 2.740 2.415 2.280 2.578 . 0 0 "[ . 1]" 2
102 1 47 GLN QB 1 49 ILE MD . . 6.040 5.764 4.353 6.164 0.124 3 0 "[ . 1]" 2
103 1 48 TRP H 1 48 TRP QB . . 3.450 3.071 2.930 3.142 . 0 0 "[ . 1]" 2
104 1 48 TRP QB 1 48 TRP HE1 . . 4.630 4.457 4.449 4.467 . 0 0 "[ . 1]" 2
105 1 48 TRP HE1 1 115 ARG QB . . 4.970 5.001 4.972 5.033 0.063 4 0 "[ . 1]" 2
106 1 49 ILE MG 1 129 LEU QD . . 7.390 4.307 3.742 5.247 . 0 0 "[ . 1]" 2
107 1 49 ILE MD 1 129 LEU QD . . 7.390 4.280 2.704 5.389 . 0 0 "[ . 1]" 2
108 1 50 TYR H 1 50 TYR QB . . 3.570 2.976 2.824 3.067 . 0 0 "[ . 1]" 2
109 1 50 TYR QB 1 51 VAL H . . 3.220 2.467 2.298 2.627 . 0 0 "[ . 1]" 2
110 1 51 VAL QG 1 52 ASN H . . 4.390 3.242 3.159 3.263 . 0 0 "[ . 1]" 2
111 1 51 VAL QG 1 53 LEU H . . 5.310 4.973 4.773 5.213 . 0 0 "[ . 1]" 2
112 1 51 VAL QG 1 53 LEU HA . . 5.880 5.463 5.341 5.582 . 0 0 "[ . 1]" 2
113 1 51 VAL QG 1 53 LEU HG . . 4.150 4.150 3.888 4.344 0.194 5 0 "[ . 1]" 2
114 1 51 VAL QG 1 53 LEU QD . . 6.340 3.332 2.848 3.607 . 0 0 "[ . 1]" 2
115 1 51 VAL QG 1 113 TYR HA . . 6.420 3.563 3.289 3.801 . 0 0 "[ . 1]" 2
116 1 51 VAL QG 1 114 VAL HB . . 4.920 2.536 2.352 2.713 . 0 0 "[ . 1]" 2
117 1 52 ASN QB 1 53 LEU H . . 3.830 3.295 3.105 3.456 . 0 0 "[ . 1]" 2
118 1 53 LEU H 1 53 LEU QB . . 2.620 2.573 2.491 2.639 0.019 9 0 "[ . 1]" 2
119 1 53 LEU H 1 53 LEU QD . . 4.600 3.706 3.133 3.975 . 0 0 "[ . 1]" 2
120 1 53 LEU HA 1 53 LEU QB . . 2.610 2.521 2.516 2.530 . 0 0 "[ . 1]" 2
121 1 53 LEU HA 1 53 LEU QD . . 3.910 1.960 1.813 2.168 . 0 0 "[ . 1]" 2
122 1 53 LEU QB 1 53 LEU HG . . 2.560 2.280 2.159 2.382 . 0 0 "[ . 1]" 2
123 1 53 LEU QB 1 54 GLY H . . 3.210 2.449 2.309 2.682 . 0 0 "[ . 1]" 2
124 1 55 SER HA 1 55 SER QB . . 2.360 2.161 2.160 2.162 . 0 0 "[ . 1]" 2
125 1 55 SER QB 1 56 SER H . . 3.130 2.540 2.406 2.777 . 0 0 "[ . 1]" 2
126 1 57 GLN H 1 57 GLN QG . . 4.210 2.705 2.347 3.115 . 0 0 "[ . 1]" 2
127 1 57 GLN HA 1 57 GLN QG . . 3.060 2.827 2.529 3.139 0.079 1 0 "[ . 1]" 2
128 1 59 VAL H 1 78 VAL QG . . 4.200 4.133 3.906 4.254 0.054 1 0 "[ . 1]" 2
129 1 60 ASN H 1 60 ASN QB . . 3.680 3.023 2.921 3.148 . 0 0 "[ . 1]" 2
130 1 60 ASN HA 1 60 ASN QD . . 3.910 3.809 3.533 3.955 0.045 10 0 "[ . 1]" 2
131 1 60 ASN QB 1 108 ALA HA . . 3.630 1.940 1.915 1.960 . 0 0 "[ . 1]" 2
132 1 60 ASN QB 1 108 ALA MB . . 4.170 2.303 2.142 2.491 . 0 0 "[ . 1]" 2
133 1 62 VAL H 1 104 ILE QG . . 4.270 4.299 4.102 4.453 0.183 2 0 "[ . 1]" 2
134 1 62 VAL QG 1 114 VAL HB . . 4.850 4.946 4.886 5.008 0.158 2 0 "[ . 1]" 2
135 1 62 VAL QG 1 116 VAL QG . . 5.710 3.311 3.139 3.457 . 0 0 "[ . 1]" 2
136 1 64 LEU QB 1 65 ASN H . . 3.560 3.514 3.185 3.609 0.049 7 0 "[ . 1]" 2
137 1 64 LEU QD 1 65 ASN H . . 4.940 2.962 2.479 3.381 . 0 0 "[ . 1]" 2
138 1 64 LEU QD 1 66 TRP HE1 . . 5.400 3.565 1.883 5.430 0.030 7 0 "[ . 1]" 2
139 1 64 LEU QD 1 76 ILE MD . . 5.350 3.213 2.510 3.922 . 0 0 "[ . 1]" 2
140 1 64 LEU QD 1 102 ASP QB . . 5.390 3.798 3.108 4.796 . 0 0 "[ . 1]" 2
141 1 64 LEU QD 1 116 VAL HA . . 5.240 5.195 4.808 5.342 0.102 6 0 "[ . 1]" 2
142 1 64 LEU QD 1 116 VAL QG . . 5.680 2.411 2.062 2.552 . 0 0 "[ . 1]" 2
143 1 64 LEU QD 1 129 LEU QD . . 5.940 1.909 1.709 2.137 . 0 0 "[ . 1]" 2
144 1 64 LEU QD 1 132 PHE HA . . 5.740 4.494 3.682 5.024 . 0 0 "[ . 1]" 2
145 1 64 LEU QD 1 132 PHE QB . . 4.920 4.443 3.952 4.962 0.042 5 0 "[ . 1]" 2
146 1 64 LEU QD 1 133 GLU H . . 5.530 5.019 3.843 5.537 0.007 7 0 "[ . 1]" 2
147 1 65 ASN H 1 129 LEU QD . . 5.500 2.518 1.865 3.586 . 0 0 "[ . 1]" 2
148 1 65 ASN QB 1 66 TRP H . . 3.560 2.931 2.297 3.558 . 0 0 "[ . 1]" 2
149 1 65 ASN QB 1 101 ILE MD . . 5.740 3.266 1.857 4.561 . 0 0 "[ . 1]" 2
150 1 65 ASN QB 1 131 GLU H . . 3.940 3.155 2.054 4.001 0.061 5 0 "[ . 1]" 2
151 1 66 TRP QB 1 67 GLU H . . 3.530 3.030 2.345 3.612 0.082 2 0 "[ . 1]" 2
152 1 66 TRP HE1 1 102 ASP QB . . 4.790 4.038 2.695 4.821 0.031 9 0 "[ . 1]" 2
153 1 67 GLU H 1 67 GLU QB . . 3.230 2.266 2.114 2.560 . 0 0 "[ . 1]" 2
154 1 67 GLU H 1 129 LEU QD . . 5.740 4.309 2.819 5.087 . 0 0 "[ . 1]" 2
155 1 67 GLU QB 1 68 ALA H . . 3.610 1.995 1.897 2.301 . 0 0 "[ . 1]" 2
156 1 67 GLU QB 1 128 SER QB . . 4.300 2.340 1.854 3.051 . 0 0 "[ . 1]" 2
157 1 69 ALA HA 1 125 TYR QB . . 4.610 4.230 3.633 4.650 0.040 9 0 "[ . 1]" 2
158 1 69 ALA MB 1 125 TYR QB . . 5.430 2.323 1.857 2.647 . 0 0 "[ . 1]" 2
159 1 72 SER QB 1 73 SER H . . 3.070 2.220 1.927 2.429 . 0 0 "[ . 1]" 2
160 1 72 SER QB 1 120 VAL HB . . 3.590 2.380 2.169 2.650 . 0 0 "[ . 1]" 2
161 1 72 SER QB 1 120 VAL QG . . 3.980 1.832 1.762 2.035 . 0 0 "[ . 1]" 2
162 1 73 SER H 1 120 VAL QG . . 4.650 2.932 2.797 3.003 . 0 0 "[ . 1]" 2
163 1 73 SER HA 1 97 GLY QA . . 3.820 3.906 3.858 3.991 0.171 9 0 "[ . 1]" 2
164 1 76 ILE H 1 91 VAL QG . . 5.800 3.953 3.883 4.105 . 0 0 "[ . 1]" 2
165 1 76 ILE HA 1 91 VAL QG . . 5.640 4.033 3.864 4.361 . 0 0 "[ . 1]" 2
166 1 76 ILE HA 1 116 VAL QG . . 5.740 2.949 2.558 3.269 . 0 0 "[ . 1]" 2
167 1 76 ILE HB 1 91 VAL QG . . 5.670 1.998 1.883 2.332 . 0 0 "[ . 1]" 2
168 1 76 ILE HB 1 92 TYR QB . . 4.210 2.888 2.576 3.090 . 0 0 "[ . 1]" 2
169 1 76 ILE MG 1 91 VAL QG . . 4.960 1.996 1.841 2.420 . 0 0 "[ . 1]" 2
170 1 76 ILE MG 1 92 TYR QB . . 4.090 3.934 3.761 4.108 0.018 5 0 "[ . 1]" 2
171 1 76 ILE MD 1 92 TYR QB . . 5.430 2.836 1.901 4.329 . 0 0 "[ . 1]" 2
172 1 77 GLN H 1 77 GLN QB . . 3.060 2.708 2.597 3.079 0.019 7 0 "[ . 1]" 2
173 1 77 GLN H 1 115 ARG QB . . 4.150 3.882 3.691 4.081 . 0 0 "[ . 1]" 2
174 1 77 GLN HA 1 91 VAL QG . . 5.670 3.495 3.163 3.747 . 0 0 "[ . 1]" 2
175 1 77 GLN HA 1 115 ARG QB . . 5.210 5.256 5.200 5.340 0.130 4 0 "[ . 1]" 2
176 1 77 GLN QB 1 77 GLN QE . . 3.600 2.816 1.924 3.552 . 0 0 "[ . 1]" 2
177 1 77 GLN QB 1 78 VAL H . . 3.220 2.487 2.281 2.857 . 0 0 "[ . 1]" 2
178 1 77 GLN QB 1 89 THR H . . 4.910 4.636 4.503 4.767 . 0 0 "[ . 1]" 2
179 1 78 VAL H 1 78 VAL QG . . 4.020 2.318 2.159 2.402 . 0 0 "[ . 1]" 2
180 1 78 VAL QG 1 89 THR H . . 4.840 3.173 3.044 3.372 . 0 0 "[ . 1]" 2
181 1 78 VAL QG 1 89 THR HB . . 4.050 2.544 2.118 2.770 . 0 0 "[ . 1]" 2
182 1 78 VAL QG 1 91 VAL QG . . 6.590 2.745 2.275 3.220 . 0 0 "[ . 1]" 2
183 1 78 VAL QG 1 109 ARG H . . 5.170 4.514 4.380 4.656 . 0 0 "[ . 1]" 2
184 1 79 SER QB 1 88 TRP HZ2 . . 4.880 3.038 2.480 3.838 . 0 0 "[ . 1]" 2
185 1 80 ASN HA 1 112 LYS QB . . 3.770 2.544 1.961 3.020 . 0 0 "[ . 1]" 2
186 1 80 ASN QB 1 111 ALA HA . . 3.200 1.984 1.914 2.181 . 0 0 "[ . 1]" 2
187 1 81 ASP QB 1 82 SER H . . 3.470 3.310 3.178 3.337 . 0 0 "[ . 1]" 2
188 1 81 ASP QB 1 82 SER QB . . 4.700 4.717 4.584 4.776 0.076 6 0 "[ . 1]" 2
189 1 81 ASP QB 1 85 PRO HA . . 2.920 2.465 2.366 2.536 . 0 0 "[ . 1]" 2
190 1 81 ASP QB 1 85 PRO QB . . 4.890 2.286 2.041 2.684 . 0 0 "[ . 1]" 2
191 1 81 ASP QB 1 85 PRO QG . . 4.500 4.178 3.970 4.519 0.019 9 0 "[ . 1]" 2
192 1 82 SER H 1 82 SER QB . . 3.140 2.133 2.071 2.251 . 0 0 "[ . 1]" 2
193 1 82 SER HA 1 82 SER QB . . 2.340 2.202 2.159 2.385 0.045 5 0 "[ . 1]" 2
194 1 84 THR HA 1 85 PRO QD . . 3.060 1.956 1.919 2.001 . 0 0 "[ . 1]" 2
195 1 84 THR MG 1 85 PRO QD . . 4.430 3.433 3.246 3.705 . 0 0 "[ . 1]" 2
196 1 87 ASN H 1 87 ASN QD . . 4.340 3.470 2.897 4.517 0.177 5 0 "[ . 1]" 2
197 1 87 ASN HA 1 87 ASN QB . . 2.640 2.469 2.174 2.541 . 0 0 "[ . 1]" 2
198 1 87 ASN QB 1 87 ASN QD . . 3.080 2.429 2.201 2.567 . 0 0 "[ . 1]" 2
199 1 87 ASN QB 1 88 TRP H . . 3.470 3.205 2.973 3.499 0.029 5 0 "[ . 1]" 2
200 1 90 THR HA 1 109 ARG QB . . 4.500 4.736 4.688 4.788 0.288 7 0 "[ . 1]" 2
201 1 90 THR MG 1 91 VAL QG . . 7.390 4.310 3.213 4.753 . 0 0 "[ . 1]" 2
202 1 91 VAL QG 1 92 TYR H . . 4.590 2.142 1.976 2.345 . 0 0 "[ . 1]" 2
203 1 91 VAL QG 1 92 TYR QB . . 4.520 2.395 2.358 2.440 . 0 0 "[ . 1]" 2
204 1 91 VAL QG 1 92 TYR HD1 . . 4.650 4.605 4.238 5.024 0.374 6 0 "[ . 1]" 2
205 1 91 VAL QG 1 104 ILE MG . . 7.210 3.213 2.991 3.514 . 0 0 "[ . 1]" 2
206 1 91 VAL QG 1 104 ILE MD . . 7.390 5.084 4.223 5.691 . 0 0 "[ . 1]" 2
207 1 92 TYR QB 1 104 ILE MG . . 4.460 2.056 1.903 2.185 . 0 0 "[ . 1]" 2
208 1 97 GLY QA 1 98 ASP H . . 3.060 2.300 2.171 2.614 . 0 0 "[ . 1]" 2
209 1 102 ASP H 1 102 ASP QB . . 3.540 2.486 2.139 2.802 . 0 0 "[ . 1]" 2
210 1 102 ASP QB 1 103 ASP H . . 3.560 3.440 3.169 3.606 0.046 2 0 "[ . 1]" 2
211 1 103 ASP H 1 103 ASP QB . . 3.120 2.886 2.770 3.090 . 0 0 "[ . 1]" 2
212 1 104 ILE H 1 104 ILE QG . . 3.770 2.491 2.203 2.852 . 0 0 "[ . 1]" 2
213 1 104 ILE HA 1 104 ILE QG . . 3.290 2.879 2.435 3.142 . 0 0 "[ . 1]" 2
214 1 106 PHE H 1 106 PHE QB . . 3.330 2.726 2.714 2.740 . 0 0 "[ . 1]" 2
215 1 106 PHE QB 1 107 THR H . . 2.700 2.033 1.943 2.095 . 0 0 "[ . 1]" 2
216 1 109 ARG H 1 109 ARG QB . . 3.000 2.121 2.091 2.145 . 0 0 "[ . 1]" 2
217 1 112 LYS QB 1 113 TYR H . . 3.170 2.719 2.267 2.921 . 0 0 "[ . 1]" 2
218 1 113 TYR H 1 113 TYR QB . . 3.160 2.905 2.754 3.157 . 0 0 "[ . 1]" 2
219 1 115 ARG QB 1 116 VAL H . . 3.290 3.102 2.771 3.508 0.218 4 0 "[ . 1]" 2
220 1 116 VAL QG 1 117 HIS H . . 4.710 2.516 2.367 2.715 . 0 0 "[ . 1]" 2
221 1 116 VAL QG 1 129 LEU QD . . 7.230 4.293 3.773 4.731 . 0 0 "[ . 1]" 2
222 1 117 HIS H 1 117 HIS QB . . 3.700 2.314 2.237 2.536 . 0 0 "[ . 1]" 2
223 1 120 VAL QG 1 121 ARG H . . 4.410 2.486 2.251 2.704 . 0 0 "[ . 1]" 2
224 1 121 ARG H 1 121 ARG QB . . 3.160 2.938 2.416 3.185 0.025 8 0 "[ . 1]" 2
225 1 121 ARG QB 1 122 GLY H . . 3.520 2.368 1.997 2.752 . 0 0 "[ . 1]" 2
226 1 123 THR HA 1 124 PRO QD . . 3.330 2.161 2.140 2.171 . 0 0 "[ . 1]" 2
227 1 123 THR HB 1 124 PRO QD . . 3.350 2.129 2.080 2.222 . 0 0 "[ . 1]" 2
228 1 123 THR MG 1 124 PRO QD . . 4.450 2.060 1.996 2.095 . 0 0 "[ . 1]" 2
229 1 124 PRO QB 1 125 TYR H . . 3.850 3.588 3.579 3.613 . 0 0 "[ . 1]" 2
230 1 125 TYR H 1 125 TYR QB . . 3.090 2.175 2.135 2.232 . 0 0 "[ . 1]" 2
231 1 125 TYR QB 1 126 GLY H . . 3.050 3.003 2.970 3.045 . 0 0 "[ . 1]" 2
232 1 126 GLY H 1 126 GLY QA . . 2.560 2.190 2.189 2.190 . 0 0 "[ . 1]" 2
233 1 127 TYR H 1 127 TYR QB . . 3.140 2.689 2.558 3.274 0.134 8 0 "[ . 1]" 2
234 1 127 TYR QB 1 128 SER H . . 3.370 3.065 2.723 3.270 . 0 0 "[ . 1]" 2
235 1 128 SER H 1 128 SER QB . . 3.150 2.923 2.549 3.216 0.066 1 0 "[ . 1]" 2
236 1 128 SER QB 1 129 LEU H . . 4.150 3.488 3.223 3.869 . 0 0 "[ . 1]" 2
237 1 129 LEU HA 1 129 LEU QD . . 4.260 2.720 1.925 3.175 . 0 0 "[ . 1]" 2
238 1 129 LEU QB 1 130 TRP H . . 3.370 3.063 2.747 3.336 . 0 0 "[ . 1]" 2
239 1 129 LEU QB 1 131 GLU H . . 3.500 3.541 3.375 3.667 0.167 9 0 "[ . 1]" 2
240 1 129 LEU QD 1 130 TRP H . . 5.580 3.708 2.420 4.244 . 0 0 "[ . 1]" 2
241 1 129 LEU QD 1 131 GLU H . . 5.850 4.021 2.229 4.741 . 0 0 "[ . 1]" 2
242 1 129 LEU QD 1 131 GLU HA . . 6.420 4.989 3.924 5.369 . 0 0 "[ . 1]" 2
243 1 130 TRP H 1 130 TRP QB . . 3.060 2.198 2.086 2.320 . 0 0 "[ . 1]" 2
244 1 130 TRP QB 1 131 GLU H . . 2.800 2.567 2.334 2.808 0.008 1 0 "[ . 1]" 2
245 1 131 GLU H 1 131 GLU QB . . 3.320 2.798 2.698 3.005 . 0 0 "[ . 1]" 2
246 1 131 GLU QB 1 132 PHE H . . 3.320 2.865 2.650 3.163 . 0 0 "[ . 1]" 2
247 1 132 PHE QB 1 133 GLU H . . 3.540 3.581 3.403 3.661 0.121 9 0 "[ . 1]" 2
248 1 133 GLU H 1 133 GLU QB . . 2.970 2.502 2.363 3.153 0.183 9 0 "[ . 1]" 2
249 1 133 GLU HA 1 133 GLU QB . . 2.630 2.478 2.165 2.539 . 0 0 "[ . 1]" 2
250 1 133 GLU QB 1 134 VAL H . . 3.560 3.436 3.199 3.573 0.013 4 0 "[ . 1]" 2
251 1 135 TYR H 1 135 TYR QB . . 3.440 2.811 2.652 3.151 . 0 0 "[ . 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 60
_Distance_constraint_stats_list.Viol_count 552
_Distance_constraint_stats_list.Viol_total 1074.760
_Distance_constraint_stats_list.Viol_max 0.458
_Distance_constraint_stats_list.Viol_rms 0.1131
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1791
_Distance_constraint_stats_list.Viol_average_violations_only 0.1947
_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 13 THR 4.285 0.330 3 0 "[ . 1]"
1 15 THR 5.822 0.342 10 0 "[ . 1]"
1 38 TRP 6.714 0.323 10 0 "[ . 1]"
1 40 SER 6.526 0.366 10 0 "[ . 1]"
1 47 GLN 7.129 0.369 7 0 "[ . 1]"
1 49 ILE 6.555 0.363 3 0 "[ . 1]"
1 50 TYR 5.822 0.342 10 0 "[ . 1]"
1 51 VAL 6.169 0.381 5 0 "[ . 1]"
1 52 ASN 4.285 0.330 3 0 "[ . 1]"
1 57 GLN 7.357 0.330 7 0 "[ . 1]"
1 59 VAL 1.758 0.176 1 0 "[ . 1]"
1 62 VAL 8.388 0.353 6 0 "[ . 1]"
1 63 LYS 4.104 0.313 1 0 "[ . 1]"
1 64 LEU 7.119 0.348 9 0 "[ . 1]"
1 74 TYR 8.471 0.297 3 0 "[ . 1]"
1 75 THR 8.268 0.458 7 0 "[ . 1]"
1 77 GLN 3.213 0.272 1 0 "[ . 1]"
1 78 VAL 6.192 0.345 4 0 "[ . 1]"
1 79 SER 9.406 0.371 6 0 "[ . 1]"
1 89 THR 6.192 0.345 4 0 "[ . 1]"
1 94 THR 8.471 0.297 3 0 "[ . 1]"
1 102 ASP 7.119 0.348 9 0 "[ . 1]"
1 104 ILE 8.388 0.353 6 0 "[ . 1]"
1 109 ARG 1.758 0.176 1 0 "[ . 1]"
1 111 ALA 7.357 0.330 7 0 "[ . 1]"
1 113 TYR 9.406 0.371 6 0 "[ . 1]"
1 114 VAL 6.169 0.381 5 0 "[ . 1]"
1 115 ARG 3.213 0.272 1 0 "[ . 1]"
1 116 VAL 6.555 0.363 3 0 "[ . 1]"
1 117 HIS 8.268 0.458 7 0 "[ . 1]"
1 118 GLY 7.129 0.369 7 0 "[ . 1]"
1 127 TYR 6.526 0.366 10 0 "[ . 1]"
1 129 LEU 6.714 0.323 10 0 "[ . 1]"
1 133 GLU 4.104 0.313 1 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 15 THR H 1 50 TYR O . . 1.800 1.815 1.774 1.930 0.130 4 0 "[ . 1]" 3
2 1 15 THR N 1 50 TYR O . . 2.700 2.741 2.698 2.866 0.166 4 0 "[ . 1]" 3
3 1 15 THR O 1 50 TYR H . . 1.800 2.045 2.007 2.101 0.301 10 0 "[ . 1]" 3
4 1 15 THR O 1 50 TYR N . . 2.700 2.975 2.922 3.042 0.342 10 0 "[ . 1]" 3
5 1 13 THR O 1 52 ASN H . . 1.800 1.991 1.831 2.100 0.300 3 0 "[ . 1]" 3
6 1 13 THR O 1 52 ASN N . . 2.700 2.937 2.802 3.030 0.330 3 0 "[ . 1]" 3
7 1 38 TRP H 1 129 LEU O . . 1.800 2.047 1.969 2.123 0.323 10 0 "[ . 1]" 3
8 1 38 TRP N 1 129 LEU O . . 2.700 2.841 2.747 3.019 0.319 10 0 "[ . 1]" 3
9 1 38 TRP O 1 129 LEU H . . 1.800 1.920 1.789 2.056 0.256 10 0 "[ . 1]" 3
10 1 38 TRP O 1 129 LEU N . . 2.700 2.862 2.750 3.012 0.312 10 0 "[ . 1]" 3
11 1 40 SER H 1 127 TYR O . . 1.800 1.826 1.777 1.974 0.174 6 0 "[ . 1]" 3
12 1 40 SER N 1 127 TYR O . . 2.700 2.721 2.672 2.749 0.049 7 0 "[ . 1]" 3
13 1 40 SER O 1 127 TYR H . . 1.800 2.087 2.035 2.161 0.361 8 0 "[ . 1]" 3
14 1 40 SER O 1 127 TYR N . . 2.700 3.007 2.946 3.066 0.366 10 0 "[ . 1]" 3
15 1 47 GLN H 1 118 GLY O . . 1.800 1.998 1.819 2.155 0.355 7 0 "[ . 1]" 3
16 1 47 GLN N 1 118 GLY O . . 2.700 2.890 2.747 3.069 0.369 7 0 "[ . 1]" 3
17 1 47 GLN O 1 118 GLY H . . 1.800 2.050 1.814 2.127 0.327 3 0 "[ . 1]" 3
18 1 47 GLN O 1 118 GLY N . . 2.700 2.776 2.720 2.850 0.150 9 0 "[ . 1]" 3
19 1 49 ILE H 1 116 VAL O . . 1.800 2.096 1.982 2.163 0.363 3 0 "[ . 1]" 3
20 1 49 ILE N 1 116 VAL O . . 2.700 2.988 2.883 3.046 0.346 3 0 "[ . 1]" 3
21 1 49 ILE O 1 116 VAL H . . 1.800 1.837 1.779 1.980 0.180 7 0 "[ . 1]" 3
22 1 49 ILE O 1 116 VAL N . . 2.700 2.723 2.658 2.948 0.248 7 0 "[ . 1]" 3
23 1 51 VAL H 1 114 VAL O . . 1.800 2.112 2.040 2.181 0.381 5 0 "[ . 1]" 3
24 1 51 VAL N 1 114 VAL O . . 2.700 3.005 2.937 3.062 0.362 5 0 "[ . 1]" 3
25 1 57 GLN H 1 111 ALA O . . 1.800 1.899 1.788 2.030 0.230 4 0 "[ . 1]" 3
26 1 57 GLN N 1 111 ALA O . . 2.700 2.784 2.703 2.959 0.259 4 0 "[ . 1]" 3
27 1 57 GLN O 1 111 ALA H . . 1.800 2.041 2.012 2.067 0.267 5 0 "[ . 1]" 3
28 1 57 GLN O 1 111 ALA N . . 2.700 3.010 2.983 3.030 0.330 7 0 "[ . 1]" 3
29 1 59 VAL H 1 109 ARG O . . 1.800 1.865 1.791 1.953 0.153 8 0 "[ . 1]" 3
30 1 59 VAL N 1 109 ARG O . . 2.700 2.810 2.741 2.876 0.176 1 0 "[ . 1]" 3
31 1 62 VAL H 1 104 ILE O . . 1.800 1.988 1.796 2.058 0.258 10 0 "[ . 1]" 3
32 1 62 VAL N 1 104 ILE O . . 2.700 2.930 2.755 3.004 0.304 10 0 "[ . 1]" 3
33 1 62 VAL O 1 104 ILE H . . 1.800 2.003 1.885 2.078 0.278 6 0 "[ . 1]" 3
34 1 62 VAL O 1 104 ILE N . . 2.700 2.918 2.736 3.053 0.353 6 0 "[ . 1]" 3
35 1 64 LEU H 1 102 ASP O . . 1.800 1.972 1.801 2.071 0.271 9 0 "[ . 1]" 3
36 1 64 LEU N 1 102 ASP O . . 2.700 2.907 2.742 3.048 0.348 9 0 "[ . 1]" 3
37 1 64 LEU O 1 102 ASP H . . 1.800 1.989 1.872 2.041 0.241 10 0 "[ . 1]" 3
38 1 64 LEU O 1 102 ASP N . . 2.700 2.844 2.745 2.981 0.281 10 0 "[ . 1]" 3
39 1 74 TYR H 1 94 THR O . . 1.800 1.994 1.827 2.045 0.245 6 0 "[ . 1]" 3
40 1 74 TYR N 1 94 THR O . . 2.700 2.938 2.787 2.994 0.294 1 0 "[ . 1]" 3
41 1 74 TYR O 1 94 THR H . . 1.800 2.050 1.913 2.097 0.297 3 0 "[ . 1]" 3
42 1 74 TYR O 1 94 THR N . . 2.700 2.865 2.744 2.993 0.293 4 0 "[ . 1]" 3
43 1 78 VAL H 1 89 THR O . . 1.800 1.815 1.774 1.846 0.046 8 0 "[ . 1]" 3
44 1 78 VAL N 1 89 THR O . . 2.700 2.696 2.682 2.716 0.016 7 0 "[ . 1]" 3
45 1 78 VAL O 1 89 THR H . . 1.800 2.107 2.075 2.140 0.340 3 0 "[ . 1]" 3
46 1 78 VAL O 1 89 THR N . . 2.700 2.987 2.873 3.045 0.345 4 0 "[ . 1]" 3
47 1 63 LYS H 1 133 GLU O . . 1.800 1.997 1.856 2.044 0.244 1 0 "[ . 1]" 3
48 1 63 LYS N 1 133 GLU O . . 2.700 2.914 2.712 3.013 0.313 1 0 "[ . 1]" 3
49 1 77 GLN H 1 115 ARG O . . 1.800 1.943 1.835 2.056 0.256 4 0 "[ . 1]" 3
50 1 77 GLN N 1 115 ARG O . . 2.700 2.848 2.695 2.972 0.272 1 0 "[ . 1]" 3
51 1 77 GLN O 1 115 ARG H . . 1.800 1.788 1.763 1.843 0.043 6 0 "[ . 1]" 3
52 1 77 GLN O 1 115 ARG N . . 2.700 2.717 2.628 2.748 0.048 1 0 "[ . 1]" 3
53 1 75 THR H 1 117 HIS O . . 1.800 2.015 1.925 2.122 0.322 6 0 "[ . 1]" 3
54 1 75 THR N 1 117 HIS O . . 2.700 2.946 2.884 3.035 0.335 6 0 "[ . 1]" 3
55 1 75 THR O 1 117 HIS H . . 1.800 1.972 1.774 2.258 0.458 7 0 "[ . 1]" 3
56 1 75 THR O 1 117 HIS N . . 2.700 2.890 2.724 3.093 0.393 7 0 "[ . 1]" 3
57 1 79 SER O 1 113 TYR H . . 1.800 2.077 2.034 2.125 0.325 7 0 "[ . 1]" 3
58 1 79 SER O 1 113 TYR N . . 2.700 3.025 2.988 3.071 0.371 6 0 "[ . 1]" 3
59 1 79 SER H 1 113 TYR O . . 1.800 1.976 1.852 2.119 0.319 6 0 "[ . 1]" 3
60 1 79 SER N 1 113 TYR O . . 2.700 2.861 2.738 3.038 0.338 6 0 "[ . 1]" 3
stop_
save_
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