NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601624 |
2rva   |
11592 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rva
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 537
_Distance_constraint_stats_list.Viol_count 839
_Distance_constraint_stats_list.Viol_total 805.424
_Distance_constraint_stats_list.Viol_max 0.502
_Distance_constraint_stats_list.Viol_rms 0.0464
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0960
_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 0.000 0.000 . 0 "[ . 1]"
1 8 LEU 0.000 0.000 . 0 "[ . 1]"
1 9 ALA 0.000 0.000 . 0 "[ . 1]"
1 10 LEU 0.000 0.000 . 0 "[ . 1]"
1 11 ASN 1.238 0.197 10 0 "[ . 1]"
1 12 LYS 2.327 0.275 9 0 "[ . 1]"
1 13 ALA 0.439 0.173 5 0 "[ . 1]"
1 14 THR 2.566 0.275 9 0 "[ . 1]"
1 15 ALA 0.320 0.096 1 0 "[ . 1]"
1 16 THR 0.034 0.034 10 0 "[ . 1]"
1 17 SER 0.707 0.156 8 0 "[ . 1]"
1 18 SER 0.073 0.037 10 0 "[ . 1]"
1 19 ILE 1.771 0.249 8 0 "[ . 1]"
1 20 GLU 1.726 0.249 8 0 "[ . 1]"
1 21 THR 1.290 0.230 9 0 "[ . 1]"
1 22 ALA 1.610 0.230 9 0 "[ . 1]"
1 23 GLY 4.891 0.493 9 0 "[ . 1]"
1 24 HIS 1.243 0.275 9 0 "[ . 1]"
1 25 GLU 3.697 0.493 9 0 "[ . 1]"
1 26 GLY 1.089 0.134 8 0 "[ . 1]"
1 27 ASP 2.008 0.168 9 0 "[ . 1]"
1 28 LYS 0.915 0.119 3 0 "[ . 1]"
1 29 ALA 0.896 0.357 3 0 "[ . 1]"
1 30 VAL 1.819 0.357 3 0 "[ . 1]"
1 31 ASP 0.887 0.200 9 0 "[ . 1]"
1 32 GLY 0.996 0.181 10 0 "[ . 1]"
1 33 ASN 0.996 0.181 10 0 "[ . 1]"
1 34 ALA 0.000 0.000 . 0 "[ . 1]"
1 35 ALA 0.334 0.062 5 0 "[ . 1]"
1 36 THR 0.228 0.132 8 0 "[ . 1]"
1 37 ARG 0.228 0.132 8 0 "[ . 1]"
1 38 TRP 2.053 0.272 5 0 "[ . 1]"
1 39 ALA 2.398 0.272 5 0 "[ . 1]"
1 40 SER 1.370 0.303 8 0 "[ . 1]"
1 41 ALA 1.691 0.197 10 0 "[ . 1]"
1 42 TYR 0.102 0.102 8 0 "[ . 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 44 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 PRO 0.133 0.084 5 0 "[ . 1]"
1 47 GLN 0.779 0.203 2 0 "[ . 1]"
1 48 TRP 0.795 0.096 1 0 "[ . 1]"
1 49 ILE 2.665 0.331 8 0 "[ . 1]"
1 50 TYR 0.591 0.102 8 0 "[ . 1]"
1 51 ILE 2.981 0.331 8 0 "[ . 1]"
1 52 ASN 0.929 0.135 1 0 "[ . 1]"
1 53 LEU 1.275 0.159 7 0 "[ . 1]"
1 54 GLY 0.273 0.102 1 0 "[ . 1]"
1 55 SER 0.983 0.199 9 0 "[ . 1]"
1 56 THR 1.125 0.136 1 0 "[ . 1]"
1 57 GLN 0.000 0.000 . 0 "[ . 1]"
1 58 SER 0.000 0.000 . 0 "[ . 1]"
1 59 ILE 2.659 0.352 1 0 "[ . 1]"
1 60 SER 0.031 0.031 6 0 "[ . 1]"
1 61 ARG 0.809 0.131 3 0 "[ . 1]"
1 62 VAL 1.639 0.211 8 0 "[ . 1]"
1 63 LYS 2.959 0.293 7 0 "[ . 1]"
1 64 LEU 1.003 0.139 2 0 "[ . 1]"
1 65 ASN 0.040 0.027 6 0 "[ . 1]"
1 66 TRP 0.929 0.174 3 0 "[ . 1]"
1 67 GLU 0.000 0.000 . 0 "[ . 1]"
1 68 ASP 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 2.362 0.277 10 0 "[ . 1]"
1 70 TYR 0.205 0.078 1 0 "[ . 1]"
1 71 ALA 2.303 0.238 10 0 "[ . 1]"
1 72 THR 0.005 0.003 8 0 "[ . 1]"
1 73 ALA 1.367 0.238 10 0 "[ . 1]"
1 74 TYR 1.085 0.194 10 0 "[ . 1]"
1 75 SER 2.455 0.242 2 0 "[ . 1]"
1 76 ILE 2.430 0.199 2 0 "[ . 1]"
1 77 GLN 0.604 0.193 4 0 "[ . 1]"
1 78 VAL 1.725 0.497 6 0 "[ . 1]"
1 79 SER 2.143 0.323 1 0 "[ . 1]"
1 80 ASN 0.036 0.036 7 0 "[ . 1]"
1 81 ASP 0.201 0.065 3 0 "[ . 1]"
1 82 SER 0.000 0.000 . 0 "[ . 1]"
1 85 THR 0.000 0.000 . 0 "[ . 1]"
1 86 PRO 0.201 0.065 3 0 "[ . 1]"
1 87 THR 2.988 0.182 8 0 "[ . 1]"
1 88 ASN 1.846 0.182 8 0 "[ . 1]"
1 89 TRP 2.581 0.497 6 0 "[ . 1]"
1 90 THR 1.974 0.222 2 0 "[ . 1]"
1 91 THR 0.908 0.193 4 0 "[ . 1]"
1 92 VAL 2.745 0.163 9 0 "[ . 1]"
1 93 TYR 1.498 0.163 9 0 "[ . 1]"
1 94 SER 0.597 0.116 4 0 "[ . 1]"
1 95 THR 1.803 0.304 9 0 "[ . 1]"
1 96 THR 1.265 0.136 4 0 "[ . 1]"
1 97 THR 1.400 0.304 9 0 "[ . 1]"
1 98 GLY 0.557 0.176 1 0 "[ . 1]"
1 99 ASP 0.562 0.203 1 0 "[ . 1]"
1 100 GLY 1.055 0.203 1 0 "[ . 1]"
1 101 ALA 0.540 0.113 8 0 "[ . 1]"
1 102 ILE 1.220 0.171 2 0 "[ . 1]"
1 103 ASP 1.247 0.171 2 0 "[ . 1]"
1 104 ASP 0.722 0.139 2 0 "[ . 1]"
1 105 ILE 0.646 0.153 9 0 "[ . 1]"
1 106 THR 1.336 0.293 7 0 "[ . 1]"
1 107 PHE 1.092 0.153 9 0 "[ . 1]"
1 108 ALA 0.243 0.103 4 0 "[ . 1]"
1 109 ALA 1.835 0.352 1 0 "[ . 1]"
1 110 THR 0.000 0.000 . 0 "[ . 1]"
1 111 ASN 3.182 0.186 10 0 "[ . 1]"
1 112 ALA 0.522 0.095 5 0 "[ . 1]"
1 113 LYS 0.887 0.199 9 0 "[ . 1]"
1 114 PHE 1.766 0.242 3 0 "[ . 1]"
1 115 VAL 1.372 0.233 2 0 "[ . 1]"
1 116 ARG 0.035 0.035 6 0 "[ . 1]"
1 117 VAL 2.544 0.264 10 0 "[ . 1]"
1 118 TYR 0.447 0.112 1 0 "[ . 1]"
1 119 ALA 1.668 0.211 1 0 "[ . 1]"
1 120 THR 0.591 0.233 7 0 "[ . 1]"
1 121 THR 1.276 0.233 7 0 "[ . 1]"
1 122 ARG 0.474 0.192 10 0 "[ . 1]"
1 123 ALA 1.796 0.347 7 0 "[ . 1]"
1 124 THR 3.101 0.502 4 1 "[ +. 1]"
1 125 ALA 2.134 0.502 4 1 "[ +. 1]"
1 126 TYR 2.058 0.277 10 0 "[ . 1]"
1 127 GLY 0.000 0.000 . 0 "[ . 1]"
1 128 TYR 1.845 0.303 8 0 "[ . 1]"
1 129 SER 0.730 0.108 8 0 "[ . 1]"
1 130 LEU 0.734 0.141 10 0 "[ . 1]"
1 131 TRP 0.287 0.117 8 0 "[ . 1]"
1 132 GLU 0.021 0.021 10 0 "[ . 1]"
1 133 PHE 2.162 0.199 2 0 "[ . 1]"
1 134 GLU 0.802 0.150 2 0 "[ . 1]"
1 135 VAL 1.393 0.195 10 0 "[ . 1]"
1 136 TYR 3.003 0.400 4 0 "[ . 1]"
1 137 GLY 0.194 0.061 5 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 HA 1 8 LEU H . . 3.110 2.412 2.219 2.730 . 0 0 "[ . 1]" 1
2 1 10 LEU HA 1 11 ASN H . . 2.860 2.475 2.206 2.726 . 0 0 "[ . 1]" 1
3 1 11 ASN HA 1 12 LYS H . . 3.390 3.386 3.361 3.502 0.112 1 0 "[ . 1]" 1
4 1 13 ALA HA 1 14 THR H . . 2.650 2.190 2.140 2.310 . 0 0 "[ . 1]" 1
5 1 14 THR HA 1 15 ALA H . . 2.930 2.362 2.307 2.507 . 0 0 "[ . 1]" 1
6 1 14 THR HB 1 15 ALA H . . 3.050 2.746 2.487 2.862 . 0 0 "[ . 1]" 1
7 1 15 ALA HA 1 16 THR H . . 2.860 2.221 2.199 2.296 . 0 0 "[ . 1]" 1
8 1 16 THR HA 1 17 SER H . . 3.170 2.513 2.486 2.536 . 0 0 "[ . 1]" 1
9 1 16 THR HB 1 17 SER H . . 3.300 2.396 2.225 2.551 . 0 0 "[ . 1]" 1
10 1 18 SER HA 1 19 ILE H . . 3.140 2.307 2.204 2.477 . 0 0 "[ . 1]" 1
11 1 19 ILE HA 1 20 GLU H . . 3.080 2.252 2.159 2.353 . 0 0 "[ . 1]" 1
12 1 20 GLU HB3 1 21 THR H . . 3.300 3.149 2.658 3.359 0.059 8 0 "[ . 1]" 1
13 1 20 GLU HB2 1 21 THR H . . 3.580 2.524 2.205 2.788 . 0 0 "[ . 1]" 1
14 1 21 THR HA 1 22 ALA H . . 2.900 2.813 2.704 3.130 0.230 9 0 "[ . 1]" 1
15 1 22 ALA HA 1 23 GLY H . . 2.680 2.779 2.704 2.891 0.211 8 0 "[ . 1]" 1
16 1 23 GLY HA3 1 24 HIS H . . 3.520 3.313 2.140 3.563 0.043 7 0 "[ . 1]" 1
17 1 23 GLY HA2 1 24 HIS H . . 3.520 2.342 2.177 3.306 . 0 0 "[ . 1]" 1
18 1 25 GLU HA 1 26 GLY H . . 3.390 3.467 3.445 3.524 0.134 8 0 "[ . 1]" 1
19 1 25 GLU HB2 1 26 GLY H . . 3.670 3.377 2.841 3.680 0.010 5 0 "[ . 1]" 1
20 1 25 GLU HB3 1 26 GLY H . . 3.670 3.334 3.141 3.564 . 0 0 "[ . 1]" 1
21 1 32 GLY HA3 1 33 ASN H . . 3.360 3.447 3.232 3.541 0.181 10 0 "[ . 1]" 1
22 1 32 GLY HA2 1 33 ASN H . . 3.360 3.027 2.814 3.320 . 0 0 "[ . 1]" 1
23 1 35 ALA HA 1 36 THR H . . 3.520 3.370 3.332 3.390 . 0 0 "[ . 1]" 1
24 1 36 THR HA 1 37 ARG H . . 3.140 2.188 2.160 2.291 . 0 0 "[ . 1]" 1
25 1 36 THR HB 1 37 ARG H . . 3.790 3.308 2.722 3.922 0.132 8 0 "[ . 1]" 1
26 1 38 TRP HB3 1 39 ALA H . . 4.010 4.172 4.091 4.282 0.272 5 0 "[ . 1]" 1
27 1 38 TRP HB2 1 39 ALA H . . 4.010 4.012 3.812 4.149 0.139 6 0 "[ . 1]" 1
28 1 39 ALA HA 1 40 SER H . . 2.860 2.260 2.140 2.727 . 0 0 "[ . 1]" 1
29 1 40 SER HA 1 41 ALA H . . 3.080 2.248 2.166 2.427 . 0 0 "[ . 1]" 1
30 1 41 ALA HA 1 42 TYR H . . 2.830 2.355 2.143 2.932 0.102 8 0 "[ . 1]" 1
31 1 42 TYR HA 1 43 GLY H . . 3.140 2.435 2.142 2.728 . 0 0 "[ . 1]" 1
32 1 46 PRO HB3 1 47 GLN H . . 3.640 3.542 3.455 3.724 0.084 5 0 "[ . 1]" 1
33 1 46 PRO HB2 1 47 GLN H . . 3.640 2.776 2.617 3.099 . 0 0 "[ . 1]" 1
34 1 48 TRP HA 1 49 ILE H . . 2.930 2.382 2.314 2.494 . 0 0 "[ . 1]" 1
35 1 48 TRP HB2 1 49 ILE H . . 3.860 2.541 2.299 2.677 . 0 0 "[ . 1]" 1
36 1 48 TRP HB3 1 49 ILE H . . 3.860 3.852 3.713 3.955 0.095 1 0 "[ . 1]" 1
37 1 49 ILE HA 1 50 TYR H . . 3.240 2.203 2.155 2.260 . 0 0 "[ . 1]" 1
38 1 50 TYR HA 1 51 ILE H . . 3.110 2.279 2.262 2.290 . 0 0 "[ . 1]" 1
39 1 50 TYR HB2 1 51 ILE H . . 3.980 3.000 2.716 3.838 . 0 0 "[ . 1]" 1
40 1 51 ILE HA 1 52 ASN H . . 3.450 2.167 2.154 2.196 . 0 0 "[ . 1]" 1
41 1 52 ASN HA 1 53 LEU H . . 2.830 2.170 2.140 2.260 . 0 0 "[ . 1]" 1
42 1 52 ASN HB2 1 53 LEU H . . 3.980 3.752 3.026 4.115 0.135 1 0 "[ . 1]" 1
43 1 52 ASN HB3 1 53 LEU H . . 3.980 3.856 3.554 4.093 0.113 7 0 "[ . 1]" 1
44 1 53 LEU HB3 1 54 GLY H . . 3.890 2.323 1.959 2.747 . 0 0 "[ . 1]" 1
45 1 53 LEU HB2 1 54 GLY H . . 3.890 3.435 3.223 3.653 . 0 0 "[ . 1]" 1
46 1 54 GLY HA3 1 55 SER H . . 3.480 3.176 2.641 3.500 0.020 5 0 "[ . 1]" 1
47 1 54 GLY HA2 1 55 SER H . . 3.480 3.148 2.209 3.568 0.088 1 0 "[ . 1]" 1
48 1 55 SER HA 1 56 THR H . . 2.990 2.481 2.256 2.713 . 0 0 "[ . 1]" 1
49 1 56 THR HA 1 57 GLN H . . 2.740 2.146 2.144 2.161 . 0 0 "[ . 1]" 1
50 1 57 GLN HA 1 58 SER H . . 2.960 2.235 2.225 2.265 . 0 0 "[ . 1]" 1
51 1 58 SER HA 1 59 ILE H . . 3.240 2.168 2.161 2.174 . 0 0 "[ . 1]" 1
52 1 59 ILE HA 1 60 SER H . . 3.240 2.274 2.262 2.289 . 0 0 "[ . 1]" 1
53 1 59 ILE HB 1 60 SER H . . 3.730 3.038 2.749 3.406 . 0 0 "[ . 1]" 1
54 1 61 ARG HA 1 62 VAL H . . 2.900 2.203 2.158 2.274 . 0 0 "[ . 1]" 1
55 1 62 VAL HA 1 63 LYS H . . 2.900 2.176 2.138 2.228 . 0 0 "[ . 1]" 1
56 1 62 VAL HB 1 63 LYS H . . 3.830 3.668 2.868 4.041 0.211 8 0 "[ . 1]" 1
57 1 63 LYS HA 1 64 LEU H . . 2.960 2.167 2.144 2.183 . 0 0 "[ . 1]" 1
58 1 65 ASN HA 1 66 TRP H . . 2.900 2.284 2.228 2.328 . 0 0 "[ . 1]" 1
59 1 67 GLU HA 1 68 ASP H . . 3.390 2.779 2.722 2.812 . 0 0 "[ . 1]" 1
60 1 69 ALA HA 1 70 TYR H . . 3.020 2.186 2.144 2.325 . 0 0 "[ . 1]" 1
61 1 71 ALA HA 1 72 THR H . . 2.990 2.308 2.188 2.502 . 0 0 "[ . 1]" 1
62 1 73 ALA HA 1 74 TYR H . . 2.550 2.426 2.284 2.479 . 0 0 "[ . 1]" 1
63 1 74 TYR HA 1 75 SER H . . 2.960 2.431 2.321 2.506 . 0 0 "[ . 1]" 1
64 1 74 TYR HB2 1 75 SER H . . 3.450 2.741 2.220 3.574 0.124 6 0 "[ . 1]" 1
65 1 74 TYR HB3 1 75 SER H . . 3.450 3.098 2.378 3.644 0.194 10 0 "[ . 1]" 1
66 1 75 SER HA 1 76 ILE H . . 2.960 2.185 2.173 2.209 . 0 0 "[ . 1]" 1
67 1 76 ILE HA 1 77 GLN H . . 2.960 2.165 2.140 2.207 . 0 0 "[ . 1]" 1
68 1 77 GLN HA 1 78 VAL H . . 3.020 2.446 2.175 2.687 . 0 0 "[ . 1]" 1
69 1 78 VAL HA 1 79 SER H . . 2.960 2.595 2.407 2.804 . 0 0 "[ . 1]" 1
70 1 78 VAL HB 1 79 SER H . . 2.990 2.065 1.792 2.368 . 0 0 "[ . 1]" 1
71 1 81 ASP HB2 1 82 SER H . . 3.790 3.591 3.519 3.634 . 0 0 "[ . 1]" 1
72 1 81 ASP HB3 1 82 SER H . . 3.790 2.552 2.524 2.583 . 0 0 "[ . 1]" 1
73 1 86 PRO HA 1 87 THR H . . 3.020 2.214 2.176 2.309 . 0 0 "[ . 1]" 1
74 1 87 THR HA 1 88 ASN H . . 3.420 3.537 3.493 3.571 0.151 1 0 "[ . 1]" 1
75 1 87 THR HB 1 88 ASN H . . 3.520 3.412 2.709 3.702 0.182 8 0 "[ . 1]" 1
76 1 88 ASN HA 1 89 TRP H . . 3.210 2.569 2.214 2.719 . 0 0 "[ . 1]" 1
77 1 89 TRP HA 1 90 THR H . . 3.170 2.292 2.140 2.509 . 0 0 "[ . 1]" 1
78 1 89 TRP HB3 1 90 THR H . . 3.420 3.335 3.041 3.625 0.205 2 0 "[ . 1]" 1
79 1 91 THR HA 1 92 VAL H . . 3.210 2.301 2.160 2.356 . 0 0 "[ . 1]" 1
80 1 92 VAL HA 1 93 TYR H . . 3.240 3.387 3.340 3.403 0.163 9 0 "[ . 1]" 1
81 1 94 SER HA 1 95 THR H . . 2.960 2.267 2.142 2.877 . 0 0 "[ . 1]" 1
82 1 95 THR HA 1 96 THR H . . 3.450 3.108 2.510 3.566 0.116 5 0 "[ . 1]" 1
83 1 96 THR HA 1 97 THR H . . 3.550 2.718 2.386 3.537 . 0 0 "[ . 1]" 1
84 1 98 GLY HA3 1 99 ASP H . . 3.210 2.508 2.145 3.057 . 0 0 "[ . 1]" 1
85 1 98 GLY HA2 1 99 ASP H . . 3.210 2.730 2.188 3.386 0.176 1 0 "[ . 1]" 1
86 1 100 GLY HA3 1 101 ALA H . . 3.360 3.237 3.000 3.450 0.090 10 0 "[ . 1]" 1
87 1 100 GLY HA2 1 101 ALA H . . 3.360 3.284 3.046 3.473 0.113 8 0 "[ . 1]" 1
88 1 101 ALA HA 1 102 ILE H . . 3.170 2.416 2.344 2.450 . 0 0 "[ . 1]" 1
89 1 103 ASP HA 1 104 ASP H . . 2.710 2.144 2.139 2.155 . 0 0 "[ . 1]" 1
90 1 104 ASP HA 1 105 ILE H . . 2.930 2.141 2.140 2.143 . 0 0 "[ . 1]" 1
91 1 105 ILE HA 1 106 THR H . . 2.710 2.174 2.138 2.229 . 0 0 "[ . 1]" 1
92 1 106 THR HA 1 107 PHE H . . 2.900 2.167 2.143 2.194 . 0 0 "[ . 1]" 1
93 1 107 PHE HA 1 108 ALA H . . 3.140 2.632 2.584 2.661 . 0 0 "[ . 1]" 1
94 1 107 PHE HB2 1 108 ALA H . . 3.270 2.428 1.921 3.373 0.103 4 0 "[ . 1]" 1
95 1 107 PHE HB3 1 108 ALA H . . 3.270 2.796 1.906 3.302 0.032 7 0 "[ . 1]" 1
96 1 108 ALA HA 1 109 ALA H . . 2.620 2.351 2.343 2.371 . 0 0 "[ . 1]" 1
97 1 109 ALA HA 1 110 THR H . . 2.830 2.153 2.140 2.170 . 0 0 "[ . 1]" 1
98 1 110 THR HA 1 111 ASN H . . 3.050 2.213 2.169 2.233 . 0 0 "[ . 1]" 1
99 1 111 ASN HA 1 112 ALA H . . 2.740 2.188 2.168 2.224 . 0 0 "[ . 1]" 1
100 1 112 ALA HA 1 113 LYS H . . 3.210 2.335 2.268 2.461 . 0 0 "[ . 1]" 1
101 1 114 PHE HA 1 115 VAL H . . 2.930 2.334 2.248 2.467 . 0 0 "[ . 1]" 1
102 1 115 VAL HA 1 116 ARG H . . 2.960 2.232 2.141 2.303 . 0 0 "[ . 1]" 1
103 1 116 ARG HA 1 117 VAL H . . 3.050 2.170 2.148 2.214 . 0 0 "[ . 1]" 1
104 1 117 VAL HA 1 118 TYR H . . 3.300 2.166 2.142 2.189 . 0 0 "[ . 1]" 1
105 1 118 TYR HA 1 119 ALA H . . 3.170 2.306 2.200 2.373 . 0 0 "[ . 1]" 1
106 1 121 THR HA 1 122 ARG H . . 3.360 2.341 2.224 2.614 . 0 0 "[ . 1]" 1
107 1 122 ARG HA 1 123 ALA H . . 3.050 2.571 2.154 3.203 0.153 4 0 "[ . 1]" 1
108 1 122 ARG HB2 1 123 ALA H . . 3.890 3.050 2.019 4.082 0.192 10 0 "[ . 1]" 1
109 1 122 ARG HB3 1 123 ALA H . . 3.890 3.023 1.950 3.915 0.025 4 0 "[ . 1]" 1
110 1 124 THR HA 1 125 ALA H . . 3.050 3.073 2.706 3.552 0.502 4 1 "[ +. 1]" 1
111 1 124 THR HB 1 125 ALA H . . 2.770 2.393 2.008 2.876 0.106 5 0 "[ . 1]" 1
112 1 125 ALA HA 1 126 TYR H . . 3.520 3.431 3.058 3.544 0.024 2 0 "[ . 1]" 1
113 1 128 TYR HA 1 129 SER H . . 3.050 2.182 2.137 2.343 . 0 0 "[ . 1]" 1
114 1 129 SER HA 1 130 LEU H . . 3.270 2.235 2.144 2.287 . 0 0 "[ . 1]" 1
115 1 130 LEU HA 1 131 TRP H . . 3.270 2.325 2.149 2.540 . 0 0 "[ . 1]" 1
116 1 132 GLU HA 1 133 PHE H . . 2.770 2.458 2.241 2.791 0.021 10 0 "[ . 1]" 1
117 1 133 PHE HA 1 134 GLU H . . 2.800 2.162 2.141 2.179 . 0 0 "[ . 1]" 1
118 1 134 GLU HA 1 135 VAL H . . 3.300 2.143 2.139 2.152 . 0 0 "[ . 1]" 1
119 1 135 VAL HA 1 136 TYR H . . 3.110 2.145 2.142 2.151 . 0 0 "[ . 1]" 1
120 1 135 VAL HB 1 136 TYR H . . 4.140 4.279 4.195 4.335 0.195 10 0 "[ . 1]" 1
121 1 136 TYR HA 1 137 GLY H . . 3.080 2.359 2.259 2.388 . 0 0 "[ . 1]" 1
122 1 136 TYR HB2 1 137 GLY H . . 4.070 3.192 2.487 4.061 . 0 0 "[ . 1]" 1
123 1 136 TYR HB3 1 137 GLY H . . 4.070 3.510 2.553 4.131 0.061 5 0 "[ . 1]" 1
124 1 11 ASN H 1 11 ASN HA . . 2.900 2.833 2.800 2.861 . 0 0 "[ . 1]" 1
125 1 14 THR H 1 14 THR HB . . 3.980 3.924 3.892 3.945 . 0 0 "[ . 1]" 1
126 1 25 GLU H 1 25 GLU HB2 . . 3.390 2.120 2.070 2.231 . 0 0 "[ . 1]" 1
127 1 25 GLU H 1 25 GLU HB3 . . 3.390 3.284 3.069 3.522 0.132 8 0 "[ . 1]" 1
128 1 53 LEU H 1 53 LEU HB2 . . 3.140 2.431 2.218 2.671 . 0 0 "[ . 1]" 1
129 1 53 LEU H 1 53 LEU HB3 . . 3.140 2.812 2.571 3.059 . 0 0 "[ . 1]" 1
130 1 65 ASN H 1 65 ASN HB2 . . 3.420 2.976 2.220 3.315 . 0 0 "[ . 1]" 1
131 1 65 ASN H 1 65 ASN HB3 . . 3.420 2.585 2.309 3.447 0.027 6 0 "[ . 1]" 1
132 1 66 TRP H 1 66 TRP HB2 . . 3.580 2.610 2.365 3.088 . 0 0 "[ . 1]" 1
133 1 66 TRP H 1 66 TRP HB3 . . 3.580 3.188 2.587 3.754 0.174 3 0 "[ . 1]" 1
134 1 78 VAL H 1 78 VAL HB . . 3.920 3.838 3.680 3.953 0.033 6 0 "[ . 1]" 1
135 1 89 TRP H 1 89 TRP HB3 . . 3.640 3.456 3.314 3.651 0.011 9 0 "[ . 1]" 1
136 1 90 THR H 1 90 THR HB . . 3.140 3.154 2.923 3.259 0.119 2 0 "[ . 1]" 1
137 1 92 VAL H 1 92 VAL HB . . 3.890 2.815 2.734 2.960 . 0 0 "[ . 1]" 1
138 1 93 TYR H 1 93 TYR HB2 . . 3.580 3.191 2.860 3.443 . 0 0 "[ . 1]" 1
139 1 99 ASP H 1 99 ASP HB2 . . 3.890 3.123 2.383 3.704 . 0 0 "[ . 1]" 1
140 1 99 ASP H 1 99 ASP HB3 . . 3.890 3.644 3.193 3.847 . 0 0 "[ . 1]" 1
141 1 101 ALA H 1 101 ALA HA . . 2.900 2.870 2.783 2.925 0.025 9 0 "[ . 1]" 1
142 1 104 ASP H 1 104 ASP HB2 . . 3.300 3.099 2.894 3.277 . 0 0 "[ . 1]" 1
143 1 104 ASP H 1 104 ASP HB3 . . 3.300 2.459 2.339 2.565 . 0 0 "[ . 1]" 1
144 1 105 ILE H 1 105 ILE HB . . 3.140 2.744 2.456 3.097 . 0 0 "[ . 1]" 1
145 1 111 ASN H 1 111 ASN HB3 . . 2.990 2.964 2.936 3.035 0.045 3 0 "[ . 1]" 1
146 1 111 ASN H 1 111 ASN HB2 . . 3.390 3.568 3.556 3.576 0.186 10 0 "[ . 1]" 1
147 1 114 PHE H 1 114 PHE HB2 . . 3.670 3.069 2.769 3.896 0.226 3 0 "[ . 1]" 1
148 1 114 PHE H 1 114 PHE HB3 . . 3.670 3.727 3.253 3.833 0.163 9 0 "[ . 1]" 1
149 1 115 VAL H 1 115 VAL HB . . 3.580 2.984 2.605 3.813 0.233 2 0 "[ . 1]" 1
150 1 118 TYR H 1 118 TYR HB2 . . 3.890 3.560 2.517 3.961 0.071 4 0 "[ . 1]" 1
151 1 118 TYR H 1 118 TYR HB3 . . 3.890 3.090 2.520 3.752 . 0 0 "[ . 1]" 1
152 1 120 THR HA 1 121 THR H . . 3.550 3.279 2.817 3.548 . 0 0 "[ . 1]" 1
153 1 121 THR H 1 121 THR HB . . 3.420 2.842 2.666 3.199 . 0 0 "[ . 1]" 1
154 1 122 ARG H 1 122 ARG HB2 . . 3.700 2.936 2.148 3.632 . 0 0 "[ . 1]" 1
155 1 122 ARG H 1 122 ARG HB3 . . 3.700 3.227 2.361 3.670 . 0 0 "[ . 1]" 1
156 1 124 THR H 1 124 THR HB . . 3.640 3.418 3.065 3.663 0.023 2 0 "[ . 1]" 1
157 1 130 LEU H 1 130 LEU HB2 . . 3.610 3.509 3.063 3.751 0.141 10 0 "[ . 1]" 1
158 1 130 LEU H 1 130 LEU HB3 . . 3.610 3.128 2.807 3.645 0.035 5 0 "[ . 1]" 1
159 1 131 TRP H 1 131 TRP HB2 . . 3.830 2.495 2.310 2.638 . 0 0 "[ . 1]" 1
160 1 131 TRP H 1 131 TRP HB3 . . 3.830 3.650 3.561 3.736 . 0 0 "[ . 1]" 1
161 1 64 LEU HA 1 134 GLU H . . 3.580 3.081 2.941 3.273 . 0 0 "[ . 1]" 1
162 1 136 TYR H 1 136 TYR HB2 . . 3.920 3.711 2.989 4.039 0.119 8 0 "[ . 1]" 1
163 1 136 TYR H 1 136 TYR HB3 . . 3.920 3.583 3.094 3.862 . 0 0 "[ . 1]" 1
164 1 8 LEU H 1 9 ALA H . . 3.360 2.799 2.136 3.359 . 0 0 "[ . 1]" 1
165 1 11 ASN H 1 12 LYS H . . 3.520 2.580 2.477 2.665 . 0 0 "[ . 1]" 1
166 1 12 LYS H 1 13 ALA H . . 3.420 2.701 1.958 3.077 . 0 0 "[ . 1]" 1
167 1 17 SER H 1 18 SER H . . 3.270 2.311 2.058 2.389 . 0 0 "[ . 1]" 1
168 1 20 GLU H 1 21 THR H . . 3.550 2.688 2.281 3.129 . 0 0 "[ . 1]" 1
169 1 23 GLY H 1 24 HIS H . . 3.300 3.403 3.135 3.575 0.275 9 0 "[ . 1]" 1
170 1 24 HIS H 1 25 GLU H . . 3.390 1.830 1.779 1.904 . 0 0 "[ . 1]" 1
171 1 26 GLY H 1 27 ASP H . . 3.300 2.681 2.593 2.824 . 0 0 "[ . 1]" 1
172 1 28 LYS H 1 29 ALA H . . 3.240 2.584 2.461 2.698 . 0 0 "[ . 1]" 1
173 1 29 ALA H 1 30 VAL H . . 2.990 2.601 2.528 2.728 . 0 0 "[ . 1]" 1
174 1 30 VAL H 1 31 ASP H . . 3.050 2.872 2.804 2.964 . 0 0 "[ . 1]" 1
175 1 32 GLY H 1 33 ASN H . . 2.710 2.533 2.378 2.667 . 0 0 "[ . 1]" 1
176 1 35 ALA H 1 36 THR H . . 2.930 2.598 2.582 2.618 . 0 0 "[ . 1]" 1
177 1 53 LEU H 1 54 GLY H . . 3.240 2.463 2.066 2.775 . 0 0 "[ . 1]" 1
178 1 54 GLY H 1 55 SER H . . 3.170 2.379 1.884 3.195 0.025 9 0 "[ . 1]" 1
179 1 60 SER H 1 61 ARG H . . 2.830 2.261 1.883 2.611 . 0 0 "[ . 1]" 1
180 1 66 TRP H 1 67 GLU H . . 3.640 2.105 1.893 2.358 . 0 0 "[ . 1]" 1
181 1 68 ASP H 1 69 ALA H . . 3.420 2.830 2.525 2.907 . 0 0 "[ . 1]" 1
182 1 72 THR H 1 73 ALA H . . 2.990 2.432 2.229 2.521 . 0 0 "[ . 1]" 1
183 1 87 THR H 1 88 ASN H . . 2.830 2.068 1.705 2.747 . 0 0 "[ . 1]" 1
184 1 92 VAL H 1 93 TYR H . . 2.900 1.920 1.835 2.234 . 0 0 "[ . 1]" 1
185 1 96 THR H 1 97 THR H . . 3.050 2.790 1.942 3.168 0.118 1 0 "[ . 1]" 1
186 1 97 THR H 1 98 GLY H . . 3.300 2.479 1.829 3.402 0.102 1 0 "[ . 1]" 1
187 1 99 ASP H 1 100 GLY H . . 3.170 2.758 1.895 3.373 0.203 1 0 "[ . 1]" 1
188 1 100 GLY H 1 101 ALA H . . 3.860 2.390 1.856 2.818 . 0 0 "[ . 1]" 1
189 1 120 THR H 1 121 THR H . . 2.990 2.427 1.843 2.931 . 0 0 "[ . 1]" 1
190 1 123 ALA H 1 124 THR H . . 3.210 2.984 2.580 3.557 0.347 7 0 "[ . 1]" 1
191 1 125 ALA H 1 126 TYR H . . 3.920 2.676 1.802 3.408 . 0 0 "[ . 1]" 1
192 1 129 SER H 1 130 LEU H . . 4.510 4.416 4.031 4.568 0.058 2 0 "[ . 1]" 1
193 1 130 LEU H 1 131 TRP H . . 3.670 3.438 3.108 3.787 0.117 8 0 "[ . 1]" 1
194 1 65 ASN HB2 1 66 TRP H . . 4.070 3.865 3.532 4.080 0.010 2 0 "[ . 1]" 1
195 1 65 ASN HB3 1 66 TRP H . . 4.070 3.817 2.760 4.073 0.003 1 0 "[ . 1]" 1
196 1 48 TRP HA 1 119 ALA H . . 3.700 3.602 3.450 3.716 0.016 4 0 "[ . 1]" 1
197 1 49 ILE H 1 117 VAL H . . 3.300 3.022 2.771 3.261 . 0 0 "[ . 1]" 1
198 1 50 TYR HA 1 117 VAL H . . 3.920 3.160 2.893 3.649 . 0 0 "[ . 1]" 1
199 1 51 ILE H 1 116 ARG HA . . 3.890 3.534 3.366 3.925 0.035 6 0 "[ . 1]" 1
200 1 51 ILE H 1 115 VAL H . . 3.360 3.008 2.707 3.220 . 0 0 "[ . 1]" 1
201 1 52 ASN HA 1 115 VAL H . . 3.860 3.733 3.358 3.960 0.100 8 0 "[ . 1]" 1
202 1 53 LEU H 1 114 PHE HA . . 3.670 2.969 2.100 3.561 . 0 0 "[ . 1]" 1
203 1 57 GLN H 1 112 ALA H . . 3.420 2.320 2.104 2.533 . 0 0 "[ . 1]" 1
204 1 58 SER HA 1 112 ALA H . . 3.950 3.692 3.587 3.911 . 0 0 "[ . 1]" 1
205 1 59 ILE H 1 111 ASN HA . . 3.760 3.574 3.346 3.689 . 0 0 "[ . 1]" 1
206 1 63 LYS HA 1 105 ILE H . . 3.670 2.957 2.466 3.486 . 0 0 "[ . 1]" 1
207 1 64 LEU H 1 104 ASP HA . . 3.210 3.251 2.896 3.349 0.139 2 0 "[ . 1]" 1
208 1 64 LEU H 1 103 ASP H . . 3.760 3.589 3.352 3.788 0.028 9 0 "[ . 1]" 1
209 1 62 VAL H 1 106 THR HA . . 3.450 3.237 2.924 3.457 0.007 5 0 "[ . 1]" 1
210 1 15 ALA H 1 50 TYR H . . 3.390 3.319 2.948 3.465 0.075 2 0 "[ . 1]" 1
211 1 14 THR HA 1 52 ASN H . . 3.760 3.269 2.795 3.853 0.093 9 0 "[ . 1]" 1
212 1 16 THR HA 1 50 TYR H . . 4.010 3.427 3.249 3.694 . 0 0 "[ . 1]" 1
213 1 17 SER H 1 48 TRP H . . 4.170 3.925 3.410 4.253 0.083 10 0 "[ . 1]" 1
214 1 17 SER H 1 49 ILE HA . . 4.170 4.125 3.696 4.326 0.156 8 0 "[ . 1]" 1
215 1 19 ILE H 1 19 ILE HB . . 3.920 3.421 3.264 3.541 . 0 0 "[ . 1]" 1
216 1 59 ILE H 1 59 ILE HB . . 3.860 3.426 3.054 3.711 . 0 0 "[ . 1]" 1
217 1 76 ILE H 1 76 ILE HB . . 3.360 2.561 2.331 2.908 . 0 0 "[ . 1]" 1
218 1 80 ASN HA 1 81 ASP H . . 3.050 2.320 2.229 2.419 . 0 0 "[ . 1]" 1
219 1 93 TYR HA 1 94 SER H . . 2.960 2.342 2.204 2.777 . 0 0 "[ . 1]" 1
220 1 102 ILE H 1 102 ILE HB . . 2.770 2.717 2.663 2.757 . 0 0 "[ . 1]" 1
221 1 102 ILE HB 1 103 ASP H . . 4.040 4.059 3.909 4.150 0.110 9 0 "[ . 1]" 1
222 1 111 ASN HB2 1 112 ALA H . . 3.730 3.116 2.956 3.218 . 0 0 "[ . 1]" 1
223 1 111 ASN HB3 1 112 ALA H . . 3.920 3.940 3.875 3.974 0.054 6 0 "[ . 1]" 1
224 1 44 ALA HA 1 45 SER H . . 3.210 2.823 2.303 3.139 . 0 0 "[ . 1]" 1
225 1 77 GLN H 1 116 ARG H . . 3.670 3.086 2.618 3.445 . 0 0 "[ . 1]" 1
226 1 78 VAL HA 1 116 ARG H . . 3.670 2.964 2.412 3.632 . 0 0 "[ . 1]" 1
227 1 79 SER H 1 115 VAL HA . . 3.950 3.951 3.720 4.157 0.207 6 0 "[ . 1]" 1
228 1 79 SER H 1 114 PHE H . . 3.240 3.132 2.695 3.482 0.242 3 0 "[ . 1]" 1
229 1 30 VAL HB 1 31 ASP H . . 3.210 2.961 2.498 3.410 0.200 9 0 "[ . 1]" 1
230 1 27 ASP HA 1 28 LYS H . . 3.210 3.301 3.291 3.329 0.119 3 0 "[ . 1]" 1
231 1 77 GLN HA 1 92 VAL H . . 3.670 3.529 3.022 3.719 0.049 7 0 "[ . 1]" 1
232 1 76 ILE H 1 92 VAL H . . 4.260 3.305 2.802 3.779 . 0 0 "[ . 1]" 1
233 1 27 ASP HA 1 30 VAL H . . 4.170 4.145 3.895 4.290 0.120 10 0 "[ . 1]" 1
234 1 17 SER H 1 17 SER HB2 . . 3.480 3.140 2.840 3.617 0.137 1 0 "[ . 1]" 1
235 1 26 GLY HA3 1 27 ASP H . . 3.210 2.869 2.726 2.954 . 0 0 "[ . 1]" 1
236 1 30 VAL H 1 30 VAL HB . . 3.860 2.845 2.443 3.621 . 0 0 "[ . 1]" 1
237 1 55 SER H 1 113 LYS HA . . 3.790 3.873 3.781 3.989 0.199 9 0 "[ . 1]" 1
238 1 70 TYR H 1 123 ALA HA . . 4.170 3.827 2.897 4.248 0.078 1 0 "[ . 1]" 1
239 1 20 GLU H 1 20 GLU HB2 . . 3.140 2.288 2.223 2.346 . 0 0 "[ . 1]" 1
240 1 62 VAL H 1 62 VAL HB . . 3.740 3.373 2.743 3.838 0.098 3 0 "[ . 1]" 1
241 1 92 VAL HB 1 93 TYR H . . 3.610 3.258 3.219 3.420 . 0 0 "[ . 1]" 1
242 1 12 LYS H 1 12 LYS HB3 . . 3.580 3.077 2.723 3.307 . 0 0 "[ . 1]" 1
243 1 12 LYS H 1 12 LYS HB2 . . 3.080 2.267 2.059 2.652 . 0 0 "[ . 1]" 1
244 1 12 LYS HB3 1 13 ALA H . . 3.170 2.587 1.953 3.343 0.173 5 0 "[ . 1]" 1
245 1 20 GLU H 1 40 SER HA . . 3.860 3.019 2.203 3.760 . 0 0 "[ . 1]" 1
246 1 23 GLY HA2 1 25 GLU H . . 4.360 3.879 3.574 4.853 0.493 9 0 "[ . 1]" 1
247 1 23 GLY HA3 1 25 GLU H . . 4.860 4.943 3.529 5.128 0.268 8 0 "[ . 1]" 1
248 1 50 TYR HB3 1 51 ILE H . . 3.980 3.906 3.513 4.082 0.102 8 0 "[ . 1]" 1
249 1 128 TYR HB3 1 129 SER H . . 4.260 3.767 3.098 4.347 0.087 7 0 "[ . 1]" 1
250 1 128 TYR HB2 1 129 SER H . . 4.260 4.081 3.292 4.368 0.108 8 0 "[ . 1]" 1
251 1 74 TYR H 1 94 SER HA . . 4.270 4.281 3.944 4.386 0.116 4 0 "[ . 1]" 1
252 1 78 VAL H 1 91 THR HA . . 4.860 4.722 4.360 5.008 0.148 10 0 "[ . 1]" 1
253 1 80 ASN H 1 88 ASN H . . 3.950 3.668 3.292 3.986 0.036 7 0 "[ . 1]" 1
254 1 40 SER HA 1 128 TYR H . . 4.210 4.345 4.238 4.513 0.303 8 0 "[ . 1]" 1
255 1 17 SER H 1 17 SER HB3 . . 3.480 2.296 2.150 2.436 . 0 0 "[ . 1]" 1
256 1 71 ALA HA 1 73 ALA H . . 3.950 3.976 3.708 4.188 0.238 10 0 "[ . 1]" 1
257 1 93 TYR H 1 93 TYR HB3 . . 3.580 3.143 2.879 3.421 . 0 0 "[ . 1]" 1
258 1 69 ALA HA 1 126 TYR H . . 4.390 4.381 3.059 4.667 0.277 10 0 "[ . 1]" 1
259 1 131 TRP H 1 132 GLU H . . 3.080 2.211 1.964 2.561 . 0 0 "[ . 1]" 1
260 1 12 LYS HA 1 13 ALA H . . 3.770 3.497 3.376 3.572 . 0 0 "[ . 1]" 1
261 1 47 GLN H 1 119 ALA H . . 3.830 3.859 3.570 4.033 0.203 2 0 "[ . 1]" 1
262 1 65 ASN H 1 132 GLU H . . 3.640 3.406 3.300 3.574 . 0 0 "[ . 1]" 1
263 1 65 ASN H 1 133 PHE HA . . 3.420 3.106 2.996 3.237 . 0 0 "[ . 1]" 1
264 1 64 LEU HA 1 65 ASN H . . 3.080 2.288 2.154 2.366 . 0 0 "[ . 1]" 1
265 1 63 LYS H 1 134 GLU H . . 3.830 3.904 3.772 3.980 0.150 2 0 "[ . 1]" 1
266 1 135 VAL H 1 135 VAL HB . . 3.610 3.401 3.261 3.454 . 0 0 "[ . 1]" 1
267 1 107 PHE H 1 107 PHE QD . . 4.630 3.178 3.041 3.396 . 0 0 "[ . 1]" 1
268 1 114 PHE H 1 114 PHE QD . . 4.070 3.198 3.043 3.296 . 0 0 "[ . 1]" 1
269 1 70 TYR H 1 70 TYR QD . . 4.630 3.094 1.945 4.201 . 0 0 "[ . 1]" 1
270 1 126 TYR H 1 126 TYR QD . . 4.970 3.989 2.221 4.324 . 0 0 "[ . 1]" 1
271 1 136 TYR H 1 136 TYR HD1 . . 4.140 4.106 3.753 4.540 0.400 4 0 "[ . 1]" 1
272 1 102 ILE H 1 102 ILE HG13 . . 2.590 2.288 2.201 2.345 . 0 0 "[ . 1]" 1
273 1 102 ILE HG13 1 103 ASP H . . 4.450 4.532 4.470 4.621 0.171 2 0 "[ . 1]" 1
274 1 52 ASN H 1 114 PHE QD . . 5.840 5.234 4.838 5.802 . 0 0 "[ . 1]" 1
275 1 17 SER HA 1 48 TRP HE1 . . 5.040 4.575 4.012 5.099 0.059 10 0 "[ . 1]" 1
276 1 76 ILE H 1 93 TYR HB3 . . 5.160 3.234 2.132 4.039 . 0 0 "[ . 1]" 1
277 1 76 ILE H 1 93 TYR HB2 . . 5.160 4.186 2.649 5.045 . 0 0 "[ . 1]" 1
278 1 48 TRP HB3 1 119 ALA H . . 5.190 3.302 2.976 3.936 . 0 0 "[ . 1]" 1
279 1 48 TRP HB2 1 119 ALA H . . 5.190 4.440 4.201 4.898 . 0 0 "[ . 1]" 1
280 1 49 ILE H 1 117 VAL HB . . 4.820 3.978 2.620 5.084 0.264 10 0 "[ . 1]" 1
281 1 66 TRP H 1 102 ILE HG13 . . 5.000 3.558 2.890 4.073 . 0 0 "[ . 1]" 1
282 1 78 VAL HA 1 89 TRP HE1 . . 5.840 4.627 2.425 6.337 0.497 6 0 "[ . 1]" 1
283 1 39 ALA HA 1 131 TRP HE1 . . 3.860 3.708 3.280 3.943 0.083 8 0 "[ . 1]" 1
284 1 13 ALA MB 1 14 THR H . . 4.570 3.056 2.652 3.277 . 0 0 "[ . 1]" 1
285 1 15 ALA MB 1 16 THR H . . 4.500 2.879 2.738 2.972 . 0 0 "[ . 1]" 1
286 1 22 ALA MB 1 23 GLY H . . 5.090 3.692 3.648 3.714 . 0 0 "[ . 1]" 1
287 1 39 ALA MB 1 40 SER H . . 5.060 3.233 2.077 3.708 . 0 0 "[ . 1]" 1
288 1 41 ALA MB 1 42 TYR H . . 4.350 2.990 2.037 3.695 . 0 0 "[ . 1]" 1
289 1 69 ALA MB 1 70 TYR H . . 4.750 3.197 2.544 3.549 . 0 0 "[ . 1]" 1
290 1 73 ALA MB 1 74 TYR H . . 4.350 2.394 2.216 2.640 . 0 0 "[ . 1]" 1
291 1 108 ALA MB 1 109 ALA H . . 4.500 2.574 2.500 2.659 . 0 0 "[ . 1]" 1
292 1 109 ALA MB 1 110 THR H . . 4.130 3.340 3.156 3.441 . 0 0 "[ . 1]" 1
293 1 19 ILE MD 1 21 THR H . . 4.660 2.918 1.894 3.435 . 0 0 "[ . 1]" 1
294 1 49 ILE H 1 49 ILE MG . . 4.530 2.276 2.094 2.664 . 0 0 "[ . 1]" 1
295 1 49 ILE MG 1 50 TYR H . . 5.120 3.864 3.682 4.050 . 0 0 "[ . 1]" 1
296 1 49 ILE MD 1 50 TYR H . . 5.190 3.965 3.657 4.235 . 0 0 "[ . 1]" 1
297 1 51 ILE MG 1 52 ASN H . . 4.940 2.447 2.261 2.568 . 0 0 "[ . 1]" 1
298 1 51 ILE MG 1 54 GLY H . . 6.180 6.075 5.756 6.282 0.102 1 0 "[ . 1]" 1
299 1 56 THR MG 1 57 GLN H . . 4.750 3.334 3.049 3.592 . 0 0 "[ . 1]" 1
300 1 91 THR MG 1 92 VAL H . . 4.970 3.600 3.478 3.784 . 0 0 "[ . 1]" 1
301 1 92 VAL MG2 1 93 TYR H . . 5.500 3.818 3.734 3.911 . 0 0 "[ . 1]" 1
302 1 92 VAL MG1 1 93 TYR H . . 5.500 4.115 4.040 4.251 . 0 0 "[ . 1]" 1
303 1 97 THR MG 1 98 GLY H . . 5.430 3.663 1.861 4.180 . 0 0 "[ . 1]" 1
304 1 102 ILE H 1 102 ILE MG . . 4.530 3.756 3.751 3.763 . 0 0 "[ . 1]" 1
305 1 102 ILE MG 1 103 ASP H . . 4.750 2.513 2.359 2.696 . 0 0 "[ . 1]" 1
306 1 105 ILE H 1 105 ILE MD . . 4.880 3.929 2.418 4.588 . 0 0 "[ . 1]" 1
307 1 105 ILE MD 1 106 THR H . . 5.620 4.661 3.986 5.262 . 0 0 "[ . 1]" 1
308 1 105 ILE MG 1 106 THR H . . 4.840 3.122 2.023 4.102 . 0 0 "[ . 1]" 1
309 1 106 THR MG 1 107 PHE H . . 4.880 4.118 4.071 4.175 . 0 0 "[ . 1]" 1
310 1 110 THR MG 1 111 ASN H . . 4.810 3.637 3.468 3.819 . 0 0 "[ . 1]" 1
311 1 112 ALA MB 1 113 LYS H . . 5.250 2.602 2.268 2.808 . 0 0 "[ . 1]" 1
312 1 123 ALA MB 1 124 THR H . . 5.370 2.513 1.972 3.672 . 0 0 "[ . 1]" 1
313 1 14 THR MG 1 15 ALA H . . 5.120 4.081 3.940 4.142 . 0 0 "[ . 1]" 1
314 1 16 THR MG 1 17 SER H . . 5.430 3.879 3.760 3.954 . 0 0 "[ . 1]" 1
315 1 44 ALA MB 1 45 SER H . . 5.310 3.532 2.733 3.718 . 0 0 "[ . 1]" 1
316 1 19 ILE MD 1 22 ALA H . . 5.930 4.345 3.945 4.609 . 0 0 "[ . 1]" 1
317 1 19 ILE MD 1 24 HIS H . . 5.590 2.557 1.966 3.743 . 0 0 "[ . 1]" 1
318 1 47 GLN H 1 119 ALA MB . . 5.590 3.477 2.932 4.497 . 0 0 "[ . 1]" 1
319 1 29 ALA MB 1 30 VAL H . . 5.590 3.226 3.013 3.453 . 0 0 "[ . 1]" 1
320 1 34 ALA MB 1 36 THR H . . 4.690 4.252 4.221 4.301 . 0 0 "[ . 1]" 1
321 1 16 THR MG 1 18 SER H . . 5.710 4.571 4.440 4.704 . 0 0 "[ . 1]" 1
322 1 19 ILE MD 1 26 GLY H . . 5.470 3.078 2.168 5.160 . 0 0 "[ . 1]" 1
323 1 14 THR MG 1 52 ASN H . . 5.710 4.197 3.210 4.873 . 0 0 "[ . 1]" 1
324 1 57 GLN H 1 112 ALA MB . . 5.680 4.054 3.997 4.189 . 0 0 "[ . 1]" 1
325 1 59 ILE H 1 112 ALA MB . . 4.690 4.679 4.533 4.785 0.095 5 0 "[ . 1]" 1
326 1 59 ILE MG 1 60 SER H . . 5.500 2.840 1.967 3.564 . 0 0 "[ . 1]" 1
327 1 70 TYR H 1 123 ALA MB . . 5.400 3.461 1.893 4.595 . 0 0 "[ . 1]" 1
328 1 20 GLU H 1 21 THR MG . . 5.000 4.154 3.641 4.605 . 0 0 "[ . 1]" 1
329 1 20 GLU H 1 41 ALA MB . . 4.750 3.514 2.749 4.068 . 0 0 "[ . 1]" 1
330 1 19 ILE MD 1 25 GLU H . . 6.180 2.424 1.917 3.790 . 0 0 "[ . 1]" 1
331 1 15 ALA MB 1 50 TYR H . . 5.930 3.939 3.564 4.239 . 0 0 "[ . 1]" 1
332 1 92 VAL H 1 105 ILE MD . . 5.440 4.737 3.671 5.464 0.024 2 0 "[ . 1]" 1
333 1 91 THR MG 1 93 TYR H . . 4.320 4.072 3.770 4.343 0.023 2 0 "[ . 1]" 1
334 1 69 ALA MB 1 124 THR H . . 5.060 4.251 3.299 5.190 0.130 4 0 "[ . 1]" 1
335 1 59 ILE MG 1 137 GLY H . . 5.150 3.455 2.438 4.276 . 0 0 "[ . 1]" 1
336 1 8 LEU H 1 9 ALA MB . . 5.060 3.809 3.290 4.429 . 0 0 "[ . 1]" 1
337 1 19 ILE H 1 41 ALA MB . . 5.150 2.987 1.918 3.870 . 0 0 "[ . 1]" 1
338 1 12 LYS H 1 14 THR MG . . 5.280 5.364 4.364 5.555 0.275 9 0 "[ . 1]" 1
339 1 62 VAL H 1 106 THR MG . . 4.720 3.562 2.334 4.072 . 0 0 "[ . 1]" 1
340 1 76 ILE H 1 91 THR MG . . 5.460 4.111 3.418 4.701 . 0 0 "[ . 1]" 1
341 1 95 THR MG 1 97 THR H . . 5.430 3.142 1.908 4.747 . 0 0 "[ . 1]" 1
342 1 95 THR MG 1 98 GLY H . . 4.940 4.480 3.211 5.115 0.175 9 0 "[ . 1]" 1
343 1 59 ILE MG 1 62 VAL H . . 5.810 5.491 4.711 5.923 0.113 4 0 "[ . 1]" 1
344 1 119 ALA MB 1 121 THR H . . 5.770 2.789 2.607 3.254 . 0 0 "[ . 1]" 1
345 1 14 THR MG 1 27 ASP H . . 4.780 4.830 4.557 4.948 0.168 9 0 "[ . 1]" 1
346 1 31 ASP H 1 35 ALA MB . . 4.880 4.901 4.758 4.942 0.062 5 0 "[ . 1]" 1
347 1 13 ALA MB 1 52 ASN H . . 5.530 3.515 2.849 4.498 . 0 0 "[ . 1]" 1
348 1 66 TRP H 1 102 ILE MG . . 6.180 4.257 3.842 4.749 . 0 0 "[ . 1]" 1
349 1 87 THR MG 1 88 ASN H . . 5.990 3.904 3.674 4.134 . 0 0 "[ . 1]" 1
350 1 102 ILE MG 1 104 ASP H . . 5.430 4.168 3.933 4.288 . 0 0 "[ . 1]" 1
351 1 105 ILE H 1 106 THR MG . . 5.120 4.014 3.720 4.210 . 0 0 "[ . 1]" 1
352 1 69 ALA MB 1 127 GLY H . . 5.710 4.272 2.715 5.459 . 0 0 "[ . 1]" 1
353 1 69 ALA MB 1 129 SER H . . 4.910 2.850 2.021 3.951 . 0 0 "[ . 1]" 1
354 1 39 ALA MB 1 130 LEU H . . 5.840 5.475 4.919 5.898 0.058 3 0 "[ . 1]" 1
355 1 76 ILE MD 1 118 TYR H . . 6.650 6.257 5.830 6.712 0.062 10 0 "[ . 1]" 1
356 1 79 SER H 1 112 ALA MB . . 4.940 3.024 2.171 3.380 . 0 0 "[ . 1]" 1
357 1 16 THR MG 1 26 GLY H . . 5.310 4.776 4.017 5.344 0.034 10 0 "[ . 1]" 1
358 1 76 ILE MD 1 77 GLN H . . 5.090 4.443 2.609 5.111 0.021 2 0 "[ . 1]" 1
359 1 64 LEU MD1 1 118 TYR H . . 6.390 6.052 5.260 6.397 0.007 8 0 "[ . 1]" 1
360 1 64 LEU MD2 1 118 TYR H . . 6.390 6.349 6.159 6.502 0.112 1 0 "[ . 1]" 1
361 1 119 ALA MB 1 120 THR H . . 5.530 2.578 1.904 3.522 . 0 0 "[ . 1]" 1
362 1 71 ALA MB 1 120 THR H . . 5.990 4.933 3.305 6.051 0.061 2 0 "[ . 1]" 1
363 1 72 THR MG 1 121 THR H . . 5.650 4.460 2.461 5.653 0.003 8 0 "[ . 1]" 1
364 1 71 ALA MB 1 121 THR H . . 4.380 4.103 2.838 4.503 0.123 10 0 "[ . 1]" 1
365 1 69 ALA MB 1 126 TYR H . . 5.560 4.230 3.352 5.193 . 0 0 "[ . 1]" 1
366 1 19 ILE H 1 19 ILE MD . . 4.880 4.735 4.245 5.011 0.131 8 0 "[ . 1]" 1
367 1 59 ILE MG 1 136 TYR H . . 5.150 3.019 2.452 3.598 . 0 0 "[ . 1]" 1
368 1 16 THR HA 1 16 THR HB . . 2.770 2.312 2.256 2.384 . 0 0 "[ . 1]" 1
369 1 31 ASP HA 1 31 ASP HB3 . . 3.020 2.823 2.412 2.941 . 0 0 "[ . 1]" 1
370 1 31 ASP HA 1 31 ASP HB2 . . 3.020 2.837 2.738 3.022 0.002 8 0 "[ . 1]" 1
371 1 60 SER HA 1 60 SER HB2 . . 2.710 2.576 2.417 2.673 . 0 0 "[ . 1]" 1
372 1 90 THR HA 1 90 THR HB . . 2.710 2.697 2.472 2.932 0.222 2 0 "[ . 1]" 1
373 1 50 TYR HA 1 116 ARG HA . . 3.670 2.144 1.940 2.511 . 0 0 "[ . 1]" 1
374 1 58 SER HA 1 111 ASN HA . . 3.170 2.152 2.016 2.442 . 0 0 "[ . 1]" 1
375 1 59 ILE HA 1 137 GLY HA3 . . 3.730 3.333 2.039 3.775 0.045 10 0 "[ . 1]" 1
376 1 61 ARG HA 1 106 THR HA . . 3.170 2.015 1.942 2.207 . 0 0 "[ . 1]" 1
377 1 63 LYS HA 1 104 ASP HA . . 3.110 2.067 1.899 2.370 . 0 0 "[ . 1]" 1
378 1 52 ASN HA 1 114 PHE HA . . 4.010 2.693 2.375 3.021 . 0 0 "[ . 1]" 1
379 1 56 THR HA 1 113 LYS HA . . 3.170 2.699 2.405 3.196 0.026 9 0 "[ . 1]" 1
380 1 14 THR HA 1 51 ILE HA . . 3.170 2.468 2.281 2.759 . 0 0 "[ . 1]" 1
381 1 16 THR HA 1 49 ILE HA . . 3.210 2.587 2.241 2.741 . 0 0 "[ . 1]" 1
382 1 11 ASN HA 1 11 ASN HB2 . . 2.830 2.920 2.638 3.027 0.197 10 0 "[ . 1]" 1
383 1 11 ASN HA 1 11 ASN HB3 . . 2.830 2.538 2.308 2.839 0.009 4 0 "[ . 1]" 1
384 1 72 THR HA 1 72 THR HB . . 2.770 2.531 2.375 2.717 . 0 0 "[ . 1]" 1
385 1 87 THR HA 1 87 THR HB . . 2.400 2.518 2.430 2.567 0.167 8 0 "[ . 1]" 1
386 1 91 THR HA 1 91 THR HB . . 2.900 2.535 2.444 2.645 . 0 0 "[ . 1]" 1
387 1 92 VAL HA 1 92 VAL HB . . 2.900 3.005 2.985 3.017 0.117 1 0 "[ . 1]" 1
388 1 95 THR HA 1 95 THR HB . . 2.710 2.576 2.392 2.877 0.167 7 0 "[ . 1]" 1
389 1 97 THR HA 1 97 THR HB . . 2.400 2.393 2.260 2.527 0.127 5 0 "[ . 1]" 1
390 1 110 THR HA 1 110 THR HB . . 2.620 2.557 2.423 2.606 . 0 0 "[ . 1]" 1
391 1 120 THR HA 1 120 THR HB . . 2.860 2.431 2.320 2.499 . 0 0 "[ . 1]" 1
392 1 78 VAL HA 1 115 VAL HA . . 3.730 2.162 1.964 2.374 . 0 0 "[ . 1]" 1
393 1 76 ILE HA 1 117 VAL HA . . 4.420 2.597 2.436 2.780 . 0 0 "[ . 1]" 1
394 1 77 GLN HA 1 91 THR HA . . 3.390 3.029 2.548 3.583 0.193 4 0 "[ . 1]" 1
395 1 96 THR HA 1 96 THR HB . . 2.860 2.760 2.347 2.996 0.136 4 0 "[ . 1]" 1
396 1 21 THR HA 1 21 THR HB . . 2.490 2.479 2.379 2.612 0.122 10 0 "[ . 1]" 1
397 1 74 TYR HA 1 119 ALA HA . . 3.240 2.352 1.990 2.718 . 0 0 "[ . 1]" 1
398 1 39 ALA HA 1 129 SER HA . . 3.710 3.303 2.611 3.769 0.059 7 0 "[ . 1]" 1
399 1 18 SER HA 1 18 SER HB3 . . 2.900 2.810 2.449 2.937 0.037 10 0 "[ . 1]" 1
400 1 18 SER HA 1 18 SER HB2 . . 2.900 2.739 2.278 2.907 0.007 5 0 "[ . 1]" 1
401 1 79 SER HA 1 89 TRP HA . . 4.550 4.009 3.010 4.873 0.323 1 0 "[ . 1]" 1
402 1 19 ILE HA 1 40 SER HA . . 3.240 2.339 1.966 3.230 . 0 0 "[ . 1]" 1
403 1 59 ILE HA 1 137 GLY HA2 . . 3.730 2.967 2.025 3.682 . 0 0 "[ . 1]" 1
404 1 60 SER HA 1 60 SER HB3 . . 2.710 2.363 2.293 2.504 . 0 0 "[ . 1]" 1
405 1 20 GLU HA 1 41 ALA HA . . 3.520 3.610 3.559 3.704 0.184 8 0 "[ . 1]" 1
406 1 60 SER HA 1 109 ALA HA . . 3.110 2.923 2.640 3.141 0.031 6 0 "[ . 1]" 1
407 1 106 THR HA 1 107 PHE QD . . 4.940 3.767 3.520 3.942 . 0 0 "[ . 1]" 1
408 1 136 TYR HA 1 136 TYR HD1 . . 4.350 3.519 1.835 4.265 . 0 0 "[ . 1]" 1
409 1 102 ILE HA 1 102 ILE HG13 . . 3.760 2.461 2.423 2.556 . 0 0 "[ . 1]" 1
410 1 107 PHE HA 1 107 PHE QD . . 4.010 3.413 2.948 3.655 . 0 0 "[ . 1]" 1
411 1 126 TYR HA 1 126 TYR QD . . 3.890 2.594 2.097 3.131 . 0 0 "[ . 1]" 1
412 1 16 THR HB 1 49 ILE HA . . 4.600 3.340 2.785 3.916 . 0 0 "[ . 1]" 1
413 1 92 VAL HB 1 107 PHE QD . . 5.000 3.974 3.514 4.658 . 0 0 "[ . 1]" 1
414 1 66 TRP HB3 1 74 TYR QD . . 5.780 5.454 4.956 5.829 0.049 8 0 "[ . 1]" 1
415 1 66 TRP HB2 1 74 TYR QD . . 5.780 4.837 3.905 5.750 . 0 0 "[ . 1]" 1
416 1 65 ASN HA 1 102 ILE HG13 . . 3.790 2.962 2.560 3.275 . 0 0 "[ . 1]" 1
417 1 75 SER HB2 1 117 VAL HA . . 4.790 4.878 4.732 4.999 0.209 2 0 "[ . 1]" 1
418 1 75 SER HB3 1 117 VAL HA . . 4.790 4.902 4.842 5.032 0.242 2 0 "[ . 1]" 1
419 1 81 ASP HB2 1 86 PRO HA . . 4.040 3.732 3.397 3.973 . 0 0 "[ . 1]" 1
420 1 81 ASP HB3 1 86 PRO HA . . 4.040 3.991 3.521 4.105 0.065 3 0 "[ . 1]" 1
421 1 105 ILE HA 1 107 PHE QE . . 4.790 4.670 4.073 4.943 0.153 9 0 "[ . 1]" 1
422 1 105 ILE HB 1 107 PHE QE . . 4.940 3.928 2.367 4.591 . 0 0 "[ . 1]" 1
423 1 105 ILE HA 1 107 PHE QD . . 5.380 4.742 4.332 5.006 . 0 0 "[ . 1]" 1
424 1 76 ILE HB 1 107 PHE QD . . 6.190 6.167 5.877 6.286 0.096 6 0 "[ . 1]" 1
425 1 14 THR HB 1 51 ILE HA . . 4.570 3.447 2.647 4.166 . 0 0 "[ . 1]" 1
426 1 56 THR HB 1 111 ASN HA . . 4.790 4.863 4.804 4.926 0.136 1 0 "[ . 1]" 1
427 1 41 ALA HA 1 126 TYR QD . . 4.700 4.750 4.605 4.897 0.197 10 0 "[ . 1]" 1
428 1 66 TRP HA 1 66 TRP HE3 . . 4.290 2.965 2.300 3.754 . 0 0 "[ . 1]" 1
429 1 85 THR HA 1 86 PRO HD2 . . 3.520 2.036 2.003 2.071 . 0 0 "[ . 1]" 1
430 1 38 TRP HA 1 38 TRP HE3 . . 4.790 2.795 1.966 3.454 . 0 0 "[ . 1]" 1
431 1 85 THR HA 1 86 PRO HG2 . . 5.470 4.184 4.162 4.206 . 0 0 "[ . 1]" 1
432 1 85 THR HA 1 86 PRO HD3 . . 3.520 2.847 2.791 2.901 . 0 0 "[ . 1]" 1
433 1 50 TYR HA 1 50 TYR HD2 . . 4.540 4.303 3.141 4.578 0.038 5 0 "[ . 1]" 1
434 1 66 TRP HZ3 1 74 TYR QD . . 4.830 3.859 3.262 4.426 . 0 0 "[ . 1]" 1
435 1 66 TRP HZ3 1 74 TYR QE . . 6.830 4.865 3.575 5.744 . 0 0 "[ . 1]" 1
436 1 38 TRP HZ2 1 40 SER HA . . 4.510 3.736 3.161 4.532 0.022 7 0 "[ . 1]" 1
437 1 115 VAL HB 1 133 PHE HZ . . 4.540 3.975 2.957 4.729 0.189 10 0 "[ . 1]" 1
438 1 76 ILE HG13 1 133 PHE HZ . . 4.880 4.891 4.484 5.079 0.199 2 0 "[ . 1]" 1
439 1 76 ILE HG12 1 133 PHE HZ . . 4.880 4.578 3.979 5.025 0.145 3 0 "[ . 1]" 1
440 1 21 THR HA 1 21 THR MG . . 3.450 2.785 2.253 3.202 . 0 0 "[ . 1]" 1
441 1 19 ILE HA 1 19 ILE MD . . 4.290 3.278 1.918 3.827 . 0 0 "[ . 1]" 1
442 1 87 THR HA 1 87 THR MG . . 3.600 2.200 2.116 2.346 . 0 0 "[ . 1]" 1
443 1 102 ILE HG13 1 102 ILE MG . . 3.670 2.832 2.780 2.955 . 0 0 "[ . 1]" 1
444 1 102 ILE HA 1 102 ILE MD . . 4.470 3.658 3.607 3.755 . 0 0 "[ . 1]" 1
445 1 105 ILE HA 1 105 ILE MD . . 4.510 3.764 3.518 3.843 . 0 0 "[ . 1]" 1
446 1 16 THR MG 1 49 ILE HA . . 4.690 3.033 1.993 3.926 . 0 0 "[ . 1]" 1
447 1 21 THR MG 1 24 HIS HB2 . . 5.990 3.800 1.947 5.751 . 0 0 "[ . 1]" 1
448 1 20 GLU HA 1 41 ALA MB . . 4.690 2.211 1.880 2.701 . 0 0 "[ . 1]" 1
449 1 21 THR MG 1 24 HIS HB3 . . 5.990 3.916 2.278 5.630 . 0 0 "[ . 1]" 1
450 1 92 VAL MG1 1 107 PHE QE . . 5.090 3.036 2.543 3.330 . 0 0 "[ . 1]" 1
451 1 92 VAL MG1 1 107 PHE QD . . 5.590 2.349 2.019 2.650 . 0 0 "[ . 1]" 1
452 1 92 VAL MG2 1 107 PHE QD . . 5.590 4.260 3.883 4.764 . 0 0 "[ . 1]" 1
453 1 92 VAL MG2 1 107 PHE QE . . 5.090 4.126 3.242 4.835 . 0 0 "[ . 1]" 1
454 1 74 TYR QE 1 119 ALA MB . . 7.750 5.027 2.307 6.311 . 0 0 "[ . 1]" 1
455 1 15 ALA MB 1 48 TRP HH2 . . 6.430 5.631 4.187 6.526 0.096 1 0 "[ . 1]" 1
456 1 105 ILE MG 1 107 PHE QD . . 3.880 2.760 1.921 3.667 . 0 0 "[ . 1]" 1
457 1 76 ILE HB 1 92 VAL MG1 . . 5.590 5.210 4.606 5.607 0.017 1 0 "[ . 1]" 1
458 1 76 ILE HB 1 92 VAL MG2 . . 5.590 4.473 3.811 5.073 . 0 0 "[ . 1]" 1
459 1 49 ILE MG 1 51 ILE MD . . 7.540 4.180 3.593 4.746 . 0 0 "[ . 1]" 1
460 1 69 ALA MB 1 123 ALA HA . . 4.260 3.945 3.251 4.416 0.156 2 0 "[ . 1]" 1
461 1 69 ALA MB 1 123 ALA MB . . 5.150 2.271 1.788 3.864 . 0 0 "[ . 1]" 1
462 1 69 ALA HA 1 123 ALA MB . . 4.780 3.271 2.028 4.924 0.144 7 0 "[ . 1]" 1
463 1 70 TYR QD 1 123 ALA MB . . 5.650 5.064 3.600 5.554 . 0 0 "[ . 1]" 1
464 1 78 VAL HB 1 112 ALA MB . . 4.190 2.075 1.875 2.402 . 0 0 "[ . 1]" 1
465 1 78 VAL HA 1 112 ALA MB . . 5.340 4.023 3.606 4.360 . 0 0 "[ . 1]" 1
466 1 73 ALA HA 1 96 THR MG . . 5.620 5.244 2.490 5.660 0.040 8 0 "[ . 1]" 1
467 1 9 ALA MB 1 10 LEU HA . . 4.720 4.022 3.734 4.507 . 0 0 "[ . 1]" 1
468 1 48 TRP HA 1 119 ALA MB . . 5.620 4.379 3.693 4.890 . 0 0 "[ . 1]" 1
469 1 69 ALA MB 1 129 SER HB2 . . 5.430 3.472 2.442 5.017 . 0 0 "[ . 1]" 1
470 1 69 ALA MB 1 129 SER HB3 . . 5.430 4.315 3.726 5.476 0.046 3 0 "[ . 1]" 1
471 1 14 THR HA 1 51 ILE MG . . 5.250 3.411 2.937 4.342 . 0 0 "[ . 1]" 1
472 1 14 THR HB 1 51 ILE MD . . 5.530 3.223 1.887 4.016 . 0 0 "[ . 1]" 1
473 1 20 GLU HA 1 39 ALA MB . . 6.120 5.501 4.984 6.178 0.058 5 0 "[ . 1]" 1
474 1 26 GLY HA2 1 29 ALA MB . . 6.520 4.287 3.722 4.805 . 0 0 "[ . 1]" 1
475 1 65 ASN HA 1 102 ILE MG . . 4.660 2.350 1.970 2.805 . 0 0 "[ . 1]" 1
476 1 71 ALA MB 1 121 THR HB . . 4.290 3.669 2.535 4.471 0.181 6 0 "[ . 1]" 1
477 1 71 ALA MB 1 119 ALA HA . . 4.850 4.809 4.480 4.962 0.112 4 0 "[ . 1]" 1
478 1 74 TYR HB3 1 119 ALA MB . . 5.250 3.313 2.426 4.230 . 0 0 "[ . 1]" 1
479 1 74 TYR HB2 1 119 ALA MB . . 5.250 4.431 3.199 5.128 . 0 0 "[ . 1]" 1
480 1 74 TYR HA 1 119 ALA MB . . 5.400 2.988 2.365 3.366 . 0 0 "[ . 1]" 1
481 1 75 SER HB2 1 91 THR MG . . 4.690 3.778 2.975 4.683 . 0 0 "[ . 1]" 1
482 1 75 SER HB3 1 91 THR MG . . 4.690 2.519 1.900 3.268 . 0 0 "[ . 1]" 1
483 1 93 TYR HB3 1 105 ILE MG . . 5.120 4.045 2.714 4.926 . 0 0 "[ . 1]" 1
484 1 93 TYR HB2 1 105 ILE MG . . 5.120 3.388 1.901 5.021 . 0 0 "[ . 1]" 1
485 1 73 ALA MB 1 96 THR HB . . 5.060 4.411 3.564 5.069 0.009 7 0 "[ . 1]" 1
486 1 105 ILE HA 1 106 THR MG . . 5.000 3.538 3.380 3.659 . 0 0 "[ . 1]" 1
487 1 69 ALA MB 1 126 TYR QD . . 5.060 4.583 3.981 5.059 . 0 0 "[ . 1]" 1
488 1 71 ALA MB 1 119 ALA MB . . 5.930 2.913 2.744 3.252 . 0 0 "[ . 1]" 1
489 1 49 ILE MG 1 117 VAL HB . . 4.410 3.238 2.022 4.250 . 0 0 "[ . 1]" 1
490 1 56 THR HA 1 56 THR MG . . 3.420 1.972 1.921 2.079 . 0 0 "[ . 1]" 1
491 1 90 THR HA 1 90 THR MG . . 3.420 2.646 1.987 3.207 . 0 0 "[ . 1]" 1
492 1 14 THR HB 1 51 ILE MG . . 5.460 3.685 2.678 4.409 . 0 0 "[ . 1]" 1
493 1 14 THR HB 1 49 ILE MD . . 5.090 3.199 2.523 4.210 . 0 0 "[ . 1]" 1
494 1 19 ILE MG 1 21 THR HB . . 5.070 4.995 4.590 5.291 0.221 8 0 "[ . 1]" 1
495 1 19 ILE MG 1 21 THR HA . . 4.690 4.559 4.283 4.664 . 0 0 "[ . 1]" 1
496 1 21 THR HA 1 22 ALA MB . . 5.680 4.066 3.858 4.205 . 0 0 "[ . 1]" 1
497 1 21 THR MG 1 24 HIS HA . . 6.520 5.144 3.587 6.468 . 0 0 "[ . 1]" 1
498 1 59 ILE MG 1 109 ALA HA . . 5.500 5.680 5.533 5.852 0.352 1 0 "[ . 1]" 1
499 1 73 ALA HA 1 119 ALA MB . . 5.340 5.330 4.970 5.551 0.211 1 0 "[ . 1]" 1
500 1 19 ILE MD 1 20 GLU HB2 . . 4.630 4.191 2.646 4.879 0.249 8 0 "[ . 1]" 1
501 1 51 ILE MG 1 53 LEU HA . . 3.980 3.994 3.617 4.139 0.159 7 0 "[ . 1]" 1
502 1 56 THR MG 1 111 ASN HB3 . . 3.880 3.914 3.883 3.942 0.062 1 0 "[ . 1]" 1
503 1 56 THR MG 1 111 ASN HB2 . . 3.820 2.394 2.289 2.463 . 0 0 "[ . 1]" 1
504 1 19 ILE MD 1 22 ALA HA . . 4.970 4.695 4.248 5.195 0.225 10 0 "[ . 1]" 1
505 1 29 ALA MB 1 30 VAL HB . . 5.410 5.424 5.191 5.767 0.357 3 0 "[ . 1]" 1
506 1 29 ALA MB 1 30 VAL HA . . 5.590 4.001 3.829 4.199 . 0 0 "[ . 1]" 1
507 1 19 ILE MD 1 25 GLU HB2 . . 6.520 2.190 1.936 3.216 . 0 0 "[ . 1]" 1
508 1 19 ILE MD 1 25 GLU HB3 . . 6.520 3.059 2.435 4.551 . 0 0 "[ . 1]" 1
509 1 49 ILE MG 1 51 ILE HA . . 5.960 6.071 5.838 6.291 0.331 8 0 "[ . 1]" 1
510 1 49 ILE MD 1 51 ILE HA . . 5.530 5.402 5.218 5.551 0.021 6 0 "[ . 1]" 1
511 1 63 LYS HA 1 106 THR MG . . 5.460 5.554 5.072 5.753 0.293 7 0 "[ . 1]" 1
512 1 69 ALA MB 1 100 GLY HA3 . . 5.900 5.750 5.212 5.983 0.083 3 0 "[ . 1]" 1
513 1 69 ALA MB 1 100 GLY HA2 . . 5.900 5.542 5.140 5.933 0.033 6 0 "[ . 1]" 1
514 1 71 ALA MB 1 74 TYR QE . . 8.650 3.426 1.845 5.864 . 0 0 "[ . 1]" 1
515 1 76 ILE MD 1 105 ILE MG . . 5.900 2.593 1.765 3.910 . 0 0 "[ . 1]" 1
516 1 86 PRO HA 1 87 THR MG . . 5.530 3.877 3.626 4.102 . 0 0 "[ . 1]" 1
517 1 102 ILE MG 1 103 ASP HA . . 4.720 3.832 3.688 3.959 . 0 0 "[ . 1]" 1
518 1 56 THR MG 1 111 ASN HA . . 5.030 4.278 3.996 4.531 . 0 0 "[ . 1]" 1
519 1 120 THR MG 1 121 THR HB . . 4.130 3.752 3.208 4.363 0.233 7 0 "[ . 1]" 1
520 1 38 TRP HE3 1 49 ILE MD . . 6.020 4.527 3.801 5.235 . 0 0 "[ . 1]" 1
521 1 85 THR HA 1 85 THR MG . . 3.420 2.204 2.090 2.309 . 0 0 "[ . 1]" 1
522 1 85 THR MG 1 86 PRO HD2 . . 5.500 3.446 3.287 3.531 . 0 0 "[ . 1]" 1
523 1 85 THR MG 1 86 PRO HB3 . . 6.050 5.823 5.690 5.914 . 0 0 "[ . 1]" 1
524 1 85 THR MG 1 86 PRO HB2 . . 6.050 5.714 5.555 5.826 . 0 0 "[ . 1]" 1
525 1 85 THR MG 1 86 PRO HD3 . . 5.500 4.453 4.382 4.500 . 0 0 "[ . 1]" 1
526 1 85 THR MG 1 86 PRO HG2 . . 4.910 4.761 4.656 4.846 . 0 0 "[ . 1]" 1
527 1 61 ARG HA 1 76 ILE MD . . 5.840 5.915 5.778 5.971 0.131 3 0 "[ . 1]" 1
528 1 66 TRP HZ3 1 71 ALA MB . . 5.340 5.246 4.780 5.506 0.166 7 0 "[ . 1]" 1
529 1 66 TRP HZ3 1 119 ALA MB . . 5.060 4.173 2.264 5.111 0.051 9 0 "[ . 1]" 1
530 1 26 GLY HA2 1 49 ILE MD . . 4.780 4.129 3.646 4.812 0.032 10 0 "[ . 1]" 1
531 1 26 GLY HA3 1 49 ILE MD . . 4.690 4.360 3.815 4.810 0.120 10 0 "[ . 1]" 1
532 1 38 TRP HD1 1 49 ILE MG . . 5.930 5.246 3.985 5.964 0.034 8 0 "[ . 1]" 1
533 1 95 THR HB 1 97 THR MG . . 3.570 3.365 2.341 3.874 0.304 9 0 "[ . 1]" 1
534 1 117 VAL MG1 1 133 PHE HZ . . 4.810 3.597 2.006 4.662 . 0 0 "[ . 1]" 1
535 1 51 ILE MG 1 133 PHE HZ . . 5.410 5.355 4.789 5.590 0.180 2 0 "[ . 1]" 1
536 1 117 VAL MG2 1 133 PHE HZ . . 4.810 3.213 2.183 4.880 0.070 10 0 "[ . 1]" 1
537 1 76 ILE MD 1 133 PHE HZ . . 4.350 4.161 3.810 4.396 0.046 4 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 211
_Distance_constraint_stats_list.Viol_count 408
_Distance_constraint_stats_list.Viol_total 301.074
_Distance_constraint_stats_list.Viol_max 0.380
_Distance_constraint_stats_list.Viol_rms 0.0408
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0143
_Distance_constraint_stats_list.Viol_average_violations_only 0.0738
_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 9 ALA 0.051 0.045 1 0 "[ . 1]"
1 10 LEU 0.397 0.074 10 0 "[ . 1]"
1 11 ASN 0.214 0.101 9 0 "[ . 1]"
1 12 LYS 0.000 0.000 . 0 "[ . 1]"
1 13 ALA 0.000 0.000 . 0 "[ . 1]"
1 14 THR 0.431 0.108 8 0 "[ . 1]"
1 17 SER 0.201 0.055 5 0 "[ . 1]"
1 18 SER 0.204 0.031 1 0 "[ . 1]"
1 19 ILE 0.503 0.182 5 0 "[ . 1]"
1 20 GLU 0.000 0.000 . 0 "[ . 1]"
1 21 THR 0.189 0.182 5 0 "[ . 1]"
1 23 GLY 0.095 0.059 5 0 "[ . 1]"
1 24 HIS 0.605 0.348 9 0 "[ . 1]"
1 25 GLU 0.443 0.348 9 0 "[ . 1]"
1 26 GLY 0.000 0.000 . 0 "[ . 1]"
1 27 ASP 0.431 0.108 8 0 "[ . 1]"
1 28 LYS 0.213 0.141 5 0 "[ . 1]"
1 29 ALA 0.000 0.000 . 0 "[ . 1]"
1 30 VAL 0.000 0.000 . 0 "[ . 1]"
1 31 ASP 0.124 0.050 1 0 "[ . 1]"
1 32 GLY 0.652 0.116 2 0 "[ . 1]"
1 33 ASN 0.431 0.116 2 0 "[ . 1]"
1 34 ALA 0.157 0.071 10 0 "[ . 1]"
1 36 THR 0.213 0.141 5 0 "[ . 1]"
1 37 ARG 0.602 0.146 5 0 "[ . 1]"
1 38 TRP 0.000 0.000 . 0 "[ . 1]"
1 39 ALA 0.170 0.084 7 0 "[ . 1]"
1 40 SER 0.243 0.103 7 0 "[ . 1]"
1 41 ALA 0.086 0.066 3 0 "[ . 1]"
1 42 TYR 0.534 0.184 5 0 "[ . 1]"
1 43 GLY 0.745 0.223 7 0 "[ . 1]"
1 44 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 SER 0.073 0.049 9 0 "[ . 1]"
1 46 PRO 0.356 0.150 10 0 "[ . 1]"
1 47 GLN 0.000 0.000 . 0 "[ . 1]"
1 48 TRP 1.166 0.238 6 0 "[ . 1]"
1 49 ILE 0.005 0.003 5 0 "[ . 1]"
1 50 TYR 0.063 0.035 10 0 "[ . 1]"
1 51 ILE 3.245 0.328 1 0 "[ . 1]"
1 52 ASN 0.396 0.088 8 0 "[ . 1]"
1 53 LEU 0.388 0.101 9 0 "[ . 1]"
1 54 GLY 0.808 0.138 2 0 "[ . 1]"
1 55 SER 1.328 0.138 2 0 "[ . 1]"
1 56 THR 0.009 0.009 2 0 "[ . 1]"
1 57 GLN 0.635 0.209 2 0 "[ . 1]"
1 58 SER 0.000 0.000 . 0 "[ . 1]"
1 59 ILE 0.650 0.209 2 0 "[ . 1]"
1 60 SER 0.000 0.000 . 0 "[ . 1]"
1 62 VAL 0.227 0.093 6 0 "[ . 1]"
1 64 LEU 4.199 0.279 8 0 "[ . 1]"
1 65 ASN 1.338 0.232 2 0 "[ . 1]"
1 66 TRP 1.725 0.189 7 0 "[ . 1]"
1 67 GLU 0.254 0.166 3 0 "[ . 1]"
1 68 ASP 0.000 0.000 . 0 "[ . 1]"
1 69 ALA 0.239 0.100 5 0 "[ . 1]"
1 71 ALA 0.090 0.068 1 0 "[ . 1]"
1 74 TYR 0.396 0.093 9 0 "[ . 1]"
1 75 SER 0.993 0.232 10 0 "[ . 1]"
1 76 ILE 1.469 0.217 1 0 "[ . 1]"
1 77 GLN 0.000 0.000 . 0 "[ . 1]"
1 78 VAL 0.610 0.206 2 0 "[ . 1]"
1 79 SER 2.171 0.318 8 0 "[ . 1]"
1 80 ASN 1.501 0.380 4 0 "[ . 1]"
1 81 ASP 0.467 0.086 2 0 "[ . 1]"
1 82 SER 0.000 0.000 . 0 "[ . 1]"
1 84 SER 0.108 0.108 7 0 "[ . 1]"
1 85 THR 0.108 0.108 7 0 "[ . 1]"
1 86 PRO 0.000 0.000 . 0 "[ . 1]"
1 87 THR 0.321 0.086 2 0 "[ . 1]"
1 88 ASN 2.430 0.380 4 0 "[ . 1]"
1 89 TRP 0.117 0.117 8 0 "[ . 1]"
1 90 THR 0.000 0.000 . 0 "[ . 1]"
1 91 THR 0.761 0.199 9 0 "[ . 1]"
1 92 VAL 1.338 0.217 1 0 "[ . 1]"
1 93 TYR 1.218 0.199 9 0 "[ . 1]"
1 94 SER 1.954 0.232 10 0 "[ . 1]"
1 95 THR 0.542 0.186 1 0 "[ . 1]"
1 98 GLY 0.000 0.000 . 0 "[ . 1]"
1 99 ASP 0.000 0.000 . 0 "[ . 1]"
1 100 GLY 0.329 0.100 5 0 "[ . 1]"
1 101 ALA 0.570 0.103 4 0 "[ . 1]"
1 102 ILE 1.166 0.195 10 0 "[ . 1]"
1 103 ASP 0.000 0.000 . 0 "[ . 1]"
1 104 ASP 0.000 0.000 . 0 "[ . 1]"
1 105 ILE 0.276 0.074 6 0 "[ . 1]"
1 107 PHE 0.227 0.093 6 0 "[ . 1]"
1 108 ALA 0.000 0.000 . 0 "[ . 1]"
1 109 ALA 0.000 0.000 . 0 "[ . 1]"
1 112 ALA 0.000 0.000 . 0 "[ . 1]"
1 113 LYS 0.447 0.114 4 0 "[ . 1]"
1 114 PHE 0.633 0.105 3 0 "[ . 1]"
1 116 ARG 0.199 0.142 4 0 "[ . 1]"
1 117 VAL 1.475 0.328 1 0 "[ . 1]"
1 118 TYR 0.662 0.124 4 0 "[ . 1]"
1 119 ALA 0.000 0.000 . 0 "[ . 1]"
1 120 THR 0.586 0.150 10 0 "[ . 1]"
1 122 ARG 0.000 0.000 . 0 "[ . 1]"
1 125 ALA 0.745 0.223 7 0 "[ . 1]"
1 126 TYR 0.211 0.142 7 0 "[ . 1]"
1 127 GLY 0.323 0.184 5 0 "[ . 1]"
1 128 TYR 1.387 0.240 5 0 "[ . 1]"
1 129 SER 0.686 0.240 5 0 "[ . 1]"
1 130 LEU 1.362 0.189 7 0 "[ . 1]"
1 131 TRP 0.157 0.071 10 0 "[ . 1]"
1 132 GLU 0.697 0.135 9 0 "[ . 1]"
1 133 PHE 3.526 0.279 8 0 "[ . 1]"
1 134 GLU 0.197 0.088 7 0 "[ . 1]"
1 136 TYR 1.351 0.197 10 0 "[ . 1]"
1 137 GLY 0.127 0.059 5 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 9 ALA H 1 10 LEU QD . . 5.200 4.763 3.931 5.245 0.045 1 0 "[ . 1]" 2
2 1 10 LEU QD 1 11 ASN H . . 4.900 2.322 1.856 3.023 . 0 0 "[ . 1]" 2
3 1 10 LEU QD 1 11 ASN QD . . 5.080 3.557 2.018 4.635 . 0 0 "[ . 1]" 2
4 1 10 LEU QD 1 31 ASP HA . . 5.070 4.544 3.260 5.120 0.050 1 0 "[ . 1]" 2
5 1 10 LEU QD 1 32 GLY H . . 5.140 4.902 4.066 5.145 0.005 4 0 "[ . 1]" 2
6 1 10 LEU QD 1 32 GLY QA . . 4.550 4.498 4.024 4.624 0.074 10 0 "[ . 1]" 2
7 1 11 ASN QB 1 53 LEU HA . . 4.580 3.970 1.981 4.681 0.101 9 0 "[ . 1]" 2
8 1 11 ASN QD 1 13 ALA MB . . 6.000 5.495 4.871 5.925 . 0 0 "[ . 1]" 2
9 1 12 LYS H 1 30 VAL QG . . 5.530 4.408 3.077 5.348 . 0 0 "[ . 1]" 2
10 1 13 ALA MB 1 52 ASN QB . . 4.960 3.382 2.703 3.986 . 0 0 "[ . 1]" 2
11 1 13 ALA MB 1 52 ASN QD . . 6.170 3.237 1.863 5.150 . 0 0 "[ . 1]" 2
12 1 14 THR MG 1 27 ASP QB . . 4.760 4.742 4.274 4.868 0.108 8 0 "[ . 1]" 2
13 1 17 SER QB 1 48 TRP H . . 3.880 3.561 1.953 3.935 0.055 5 0 "[ . 1]" 2
14 1 17 SER QB 1 48 TRP HE1 . . 4.790 2.392 1.853 4.609 . 0 0 "[ . 1]" 2
15 1 17 SER QB 1 48 TRP HZ2 . . 4.940 3.269 2.185 4.317 . 0 0 "[ . 1]" 2
16 1 17 SER QB 1 48 TRP HH2 . . 5.340 4.929 3.730 5.382 0.042 10 0 "[ . 1]" 2
17 1 18 SER HA 1 18 SER QB . . 2.510 2.463 2.165 2.541 0.031 1 0 "[ . 1]" 2
18 1 18 SER QB 1 41 ALA MB . . 4.050 3.560 2.974 4.059 0.009 8 0 "[ . 1]" 2
19 1 19 ILE MG 1 24 HIS QB . . 5.220 5.233 5.098 5.293 0.073 10 0 "[ . 1]" 2
20 1 19 ILE QG 1 21 THR HB . . 5.320 4.495 3.783 5.502 0.182 5 0 "[ . 1]" 2
21 1 19 ILE QG 1 40 SER HA . . 4.330 3.696 2.974 4.383 0.053 5 0 "[ . 1]" 2
22 1 19 ILE MD 1 25 GLU QB . . 5.660 2.135 1.888 3.154 . 0 0 "[ . 1]" 2
23 1 20 GLU H 1 20 GLU QG . . 3.830 2.758 2.443 3.090 . 0 0 "[ . 1]" 2
24 1 20 GLU QG 1 21 THR H . . 4.360 4.171 3.969 4.326 . 0 0 "[ . 1]" 2
25 1 23 GLY QA 1 25 GLU H . . 3.690 3.654 3.449 3.749 0.059 5 0 "[ . 1]" 2
26 1 24 HIS H 1 24 HIS QB . . 3.280 2.971 2.458 3.286 0.006 9 0 "[ . 1]" 2
27 1 24 HIS QB 1 25 GLU H . . 3.610 3.030 2.877 3.958 0.348 9 0 "[ . 1]" 2
28 1 25 GLU QB 1 26 GLY H . . 3.140 2.956 2.716 3.035 . 0 0 "[ . 1]" 2
29 1 27 ASP HA 1 27 ASP QB . . 2.640 2.293 2.162 2.424 . 0 0 "[ . 1]" 2
30 1 28 LYS QB 1 29 ALA H . . 3.820 3.267 3.009 3.718 . 0 0 "[ . 1]" 2
31 1 28 LYS QB 1 36 THR HB . . 3.370 3.198 2.717 3.511 0.141 5 0 "[ . 1]" 2
32 1 28 LYS QB 1 37 ARG H . . 4.730 3.406 2.652 3.991 . 0 0 "[ . 1]" 2
33 1 29 ALA MB 1 30 VAL QG . . 6.410 3.891 3.623 4.197 . 0 0 "[ . 1]" 2
34 1 30 VAL H 1 30 VAL QG . . 4.170 2.116 1.808 2.396 . 0 0 "[ . 1]" 2
35 1 30 VAL QG 1 31 ASP H . . 5.070 2.816 1.869 3.329 . 0 0 "[ . 1]" 2
36 1 32 GLY QA 1 33 ASN H . . 2.800 2.833 2.710 2.916 0.116 2 0 "[ . 1]" 2
37 1 34 ALA HA 1 131 TRP QB . . 5.140 4.695 2.992 5.211 0.071 10 0 "[ . 1]" 2
38 1 37 ARG H 1 130 LEU QD . . 6.240 6.296 6.195 6.386 0.146 5 0 "[ . 1]" 2
39 1 38 TRP QB 1 39 ALA H . . 3.760 3.639 3.505 3.699 . 0 0 "[ . 1]" 2
40 1 38 TRP QB 1 130 LEU H . . 4.410 2.544 1.986 3.190 . 0 0 "[ . 1]" 2
41 1 38 TRP QB 1 130 LEU QB . . 4.530 3.074 2.046 4.352 . 0 0 "[ . 1]" 2
42 1 38 TRP HD1 1 130 LEU QB . . 4.790 3.114 1.944 4.206 . 0 0 "[ . 1]" 2
43 1 38 TRP HZ2 1 40 SER QB . . 4.910 3.818 2.724 4.758 . 0 0 "[ . 1]" 2
44 1 39 ALA HA 1 129 SER QB . . 4.410 3.898 2.624 4.494 0.084 7 0 "[ . 1]" 2
45 1 40 SER H 1 40 SER QB . . 3.280 2.317 2.052 3.383 0.103 7 0 "[ . 1]" 2
46 1 40 SER QB 1 41 ALA H . . 3.530 3.102 2.642 3.596 0.066 3 0 "[ . 1]" 2
47 1 42 TYR H 1 42 TYR QB . . 3.140 2.654 2.044 3.097 . 0 0 "[ . 1]" 2
48 1 42 TYR HA 1 42 TYR QB . . 2.560 2.211 2.164 2.539 . 0 0 "[ . 1]" 2
49 1 42 TYR HA 1 127 GLY QA . . 3.300 2.534 1.911 3.484 0.184 5 0 "[ . 1]" 2
50 1 42 TYR QB 1 43 GLY H . . 3.370 2.495 1.801 3.323 . 0 0 "[ . 1]" 2
51 1 42 TYR QD 1 126 TYR QB . . 5.440 5.424 5.344 5.582 0.142 7 0 "[ . 1]" 2
52 1 43 GLY QA 1 44 ALA MB . . 6.060 3.552 3.470 3.701 . 0 0 "[ . 1]" 2
53 1 43 GLY QA 1 125 ALA MB . . 6.790 6.770 6.090 7.013 0.223 7 0 "[ . 1]" 2
54 1 45 SER H 1 45 SER QB . . 2.900 2.375 2.057 2.949 0.049 9 0 "[ . 1]" 2
55 1 46 PRO QB 1 47 GLN H . . 3.130 2.679 2.543 2.954 . 0 0 "[ . 1]" 2
56 1 46 PRO QB 1 120 THR MG . . 5.220 4.536 3.879 5.094 . 0 0 "[ . 1]" 2
57 1 46 PRO QG 1 120 THR HB . . 5.260 5.135 4.316 5.410 0.150 10 0 "[ . 1]" 2
58 1 48 TRP H 1 128 TYR QB . . 4.530 4.625 4.518 4.768 0.238 6 0 "[ . 1]" 2
59 1 48 TRP HA 1 117 VAL QG . . 5.340 3.877 3.349 4.522 . 0 0 "[ . 1]" 2
60 1 48 TRP QB 1 49 ILE H . . 3.380 2.507 2.279 2.636 . 0 0 "[ . 1]" 2
61 1 48 TRP QB 1 119 ALA H . . 4.490 3.204 2.919 3.717 . 0 0 "[ . 1]" 2
62 1 49 ILE MG 1 130 LEU QB . . 4.470 3.660 3.406 3.981 . 0 0 "[ . 1]" 2
63 1 49 ILE MD 1 130 LEU QB . . 4.180 3.673 2.793 4.183 0.003 5 0 "[ . 1]" 2
64 1 50 TYR HA 1 116 ARG QB . . 4.710 3.636 2.667 4.415 . 0 0 "[ . 1]" 2
65 1 50 TYR QB 1 51 ILE H . . 3.450 2.880 2.665 3.485 0.035 10 0 "[ . 1]" 2
66 1 50 TYR QB 1 116 ARG QB . . 4.760 2.644 1.912 3.887 . 0 0 "[ . 1]" 2
67 1 51 ILE QG 1 51 ILE MG . . 3.330 2.386 2.312 2.465 . 0 0 "[ . 1]" 2
68 1 51 ILE MG 1 117 VAL QG . . 5.610 5.757 5.650 5.938 0.328 1 0 "[ . 1]" 2
69 1 51 ILE QG 1 133 PHE HZ . . 3.830 3.895 3.806 4.077 0.247 7 0 "[ . 1]" 2
70 1 51 ILE MD 1 136 TYR QB . . 6.220 6.324 6.245 6.417 0.197 10 0 "[ . 1]" 2
71 1 52 ASN H 1 52 ASN QB . . 3.230 2.799 2.341 3.152 . 0 0 "[ . 1]" 2
72 1 52 ASN H 1 114 PHE QB . . 4.650 4.258 3.659 4.738 0.088 8 0 "[ . 1]" 2
73 1 52 ASN QB 1 53 LEU H . . 3.470 3.331 2.934 3.556 0.086 6 0 "[ . 1]" 2
74 1 52 ASN QB 1 114 PHE QB . . 3.640 3.108 1.864 3.650 0.010 9 0 "[ . 1]" 2
75 1 52 ASN QB 1 114 PHE QD . . 4.290 3.141 2.649 3.642 . 0 0 "[ . 1]" 2
76 1 53 LEU H 1 53 LEU QB . . 2.690 2.279 2.155 2.429 . 0 0 "[ . 1]" 2
77 1 53 LEU HA 1 53 LEU QD . . 4.050 2.410 1.905 2.970 . 0 0 "[ . 1]" 2
78 1 53 LEU QB 1 54 GLY H . . 3.290 2.280 1.946 2.632 . 0 0 "[ . 1]" 2
79 1 53 LEU QD 1 55 SER H . . 4.930 3.424 2.056 4.902 . 0 0 "[ . 1]" 2
80 1 53 LEU QD 1 113 LYS HA . . 5.140 4.377 3.233 5.171 0.031 5 0 "[ . 1]" 2
81 1 54 GLY QA 1 55 SER H . . 2.760 2.715 2.184 2.898 0.138 2 0 "[ . 1]" 2
82 1 55 SER H 1 55 SER QB . . 3.370 3.255 2.878 3.432 0.062 9 0 "[ . 1]" 2
83 1 55 SER H 1 113 LYS QB . . 4.000 3.976 3.365 4.114 0.114 4 0 "[ . 1]" 2
84 1 55 SER HA 1 55 SER QB . . 2.450 2.229 2.171 2.370 . 0 0 "[ . 1]" 2
85 1 55 SER QB 1 56 THR H . . 2.750 2.301 1.977 2.759 0.009 2 0 "[ . 1]" 2
86 1 57 GLN H 1 57 GLN QB . . 3.260 2.596 2.466 2.830 . 0 0 "[ . 1]" 2
87 1 57 GLN QB 1 58 SER H . . 3.290 3.001 2.837 3.198 . 0 0 "[ . 1]" 2
88 1 57 GLN QB 1 59 ILE MG . . 4.510 4.025 3.514 4.719 0.209 2 0 "[ . 1]" 2
89 1 58 SER H 1 58 SER QB . . 2.820 2.427 2.223 2.764 . 0 0 "[ . 1]" 2
90 1 58 SER HA 1 58 SER QB . . 2.490 2.357 2.185 2.487 . 0 0 "[ . 1]" 2
91 1 58 SER QB 1 59 ILE H . . 3.670 3.403 3.056 3.645 . 0 0 "[ . 1]" 2
92 1 59 ILE HA 1 137 GLY QA . . 3.200 2.624 2.011 3.209 0.009 5 0 "[ . 1]" 2
93 1 60 SER QB 1 109 ALA MB . . 4.180 3.437 2.648 3.901 . 0 0 "[ . 1]" 2
94 1 62 VAL QG 1 107 PHE QE . . 4.840 3.318 2.280 4.933 0.093 6 0 "[ . 1]" 2
95 1 64 LEU HA 1 64 LEU QD . . 4.260 3.397 3.027 3.468 . 0 0 "[ . 1]" 2
96 1 64 LEU QB 1 102 ILE MG . . 4.400 4.517 4.438 4.595 0.195 10 0 "[ . 1]" 2
97 1 64 LEU QB 1 130 LEU QD . . 6.190 3.386 2.322 4.833 . 0 0 "[ . 1]" 2
98 1 64 LEU QB 1 132 GLU H . . 5.290 5.360 5.299 5.425 0.135 9 0 "[ . 1]" 2
99 1 64 LEU QB 1 133 PHE H . . 4.760 4.908 4.788 5.039 0.279 8 0 "[ . 1]" 2
100 1 64 LEU QD 1 75 SER H . . 5.850 4.983 4.524 5.198 . 0 0 "[ . 1]" 2
101 1 64 LEU QD 1 76 ILE MD . . 6.240 2.559 1.817 4.341 . 0 0 "[ . 1]" 2
102 1 64 LEU QD 1 105 ILE HB . . 5.830 4.277 3.817 4.931 . 0 0 "[ . 1]" 2
103 1 64 LEU QD 1 118 TYR H . . 5.480 5.496 5.033 5.604 0.124 4 0 "[ . 1]" 2
104 1 64 LEU QD 1 130 LEU QD . . 5.740 3.277 2.113 4.596 . 0 0 "[ . 1]" 2
105 1 64 LEU QD 1 134 GLU H . . 4.840 4.765 4.512 4.928 0.088 7 0 "[ . 1]" 2
106 1 65 ASN QB 1 66 TRP H . . 3.490 3.370 2.718 3.556 0.066 2 0 "[ . 1]" 2
107 1 65 ASN QB 1 132 GLU H . . 3.280 2.307 1.933 2.788 . 0 0 "[ . 1]" 2
108 1 65 ASN QB 1 133 PHE H . . 4.560 4.661 4.368 4.792 0.232 2 0 "[ . 1]" 2
109 1 66 TRP H 1 66 TRP QB . . 2.990 2.463 2.253 2.766 . 0 0 "[ . 1]" 2
110 1 66 TRP QB 1 67 GLU H . . 3.430 3.295 2.963 3.596 0.166 3 0 "[ . 1]" 2
111 1 66 TRP QB 1 74 TYR QD . . 4.650 4.446 3.768 4.726 0.076 1 0 "[ . 1]" 2
112 1 66 TRP QB 1 100 GLY QA . . 4.720 3.066 2.239 3.628 . 0 0 "[ . 1]" 2
113 1 66 TRP QB 1 101 ALA H . . 4.860 4.900 4.693 4.963 0.103 4 0 "[ . 1]" 2
114 1 66 TRP HE3 1 130 LEU QB . . 5.340 5.385 5.198 5.529 0.189 7 0 "[ . 1]" 2
115 1 66 TRP HE3 1 130 LEU QD . . 6.300 5.071 4.271 5.782 . 0 0 "[ . 1]" 2
116 1 67 GLU H 1 67 GLU QB . . 3.320 2.964 2.843 3.071 . 0 0 "[ . 1]" 2
117 1 67 GLU QB 1 69 ALA H . . 3.700 2.661 2.128 3.685 . 0 0 "[ . 1]" 2
118 1 67 GLU QB 1 129 SER QB . . 4.640 1.884 1.733 2.109 . 0 0 "[ . 1]" 2
119 1 68 ASP QB 1 69 ALA H . . 3.130 2.718 2.466 3.104 . 0 0 "[ . 1]" 2
120 1 69 ALA HA 1 126 TYR QB . . 5.340 3.838 2.599 5.264 . 0 0 "[ . 1]" 2
121 1 69 ALA MB 1 100 GLY QA . . 5.110 5.008 4.796 5.210 0.100 5 0 "[ . 1]" 2
122 1 69 ALA MB 1 126 TYR QB . . 4.430 3.042 2.494 3.714 . 0 0 "[ . 1]" 2
123 1 69 ALA MB 1 129 SER QB . . 4.600 3.245 2.412 4.216 . 0 0 "[ . 1]" 2
124 1 71 ALA MB 1 100 GLY QA . . 4.580 3.676 2.538 4.648 0.068 1 0 "[ . 1]" 2
125 1 74 TYR QB 1 75 SER H . . 2.930 2.412 2.202 2.707 . 0 0 "[ . 1]" 2
126 1 74 TYR QB 1 117 VAL QG . . 5.190 3.299 2.261 4.324 . 0 0 "[ . 1]" 2
127 1 74 TYR QB 1 119 ALA MB . . 4.490 3.219 2.357 4.023 . 0 0 "[ . 1]" 2
128 1 74 TYR QB 1 120 THR H . . 5.610 5.540 5.096 5.703 0.093 9 0 "[ . 1]" 2
129 1 74 TYR QD 1 103 ASP QB . . 5.290 3.369 1.918 4.617 . 0 0 "[ . 1]" 2
130 1 75 SER H 1 75 SER QB . . 3.470 2.566 2.397 2.646 . 0 0 "[ . 1]" 2
131 1 75 SER HA 1 94 SER QB . . 3.500 3.574 3.358 3.732 0.232 10 0 "[ . 1]" 2
132 1 75 SER QB 1 76 ILE H . . 3.400 3.076 2.982 3.157 . 0 0 "[ . 1]" 2
133 1 75 SER QB 1 91 THR MG . . 4.090 2.482 1.880 3.209 . 0 0 "[ . 1]" 2
134 1 75 SER QB 1 94 SER QB . . 4.040 3.716 3.444 4.138 0.098 9 0 "[ . 1]" 2
135 1 75 SER QB 1 117 VAL HA . . 4.540 4.356 4.275 4.468 . 0 0 "[ . 1]" 2
136 1 75 SER QB 1 118 TYR QB . . 4.910 3.794 2.670 4.298 . 0 0 "[ . 1]" 2
137 1 76 ILE H 1 92 VAL QG . . 5.470 4.349 4.220 4.556 . 0 0 "[ . 1]" 2
138 1 76 ILE H 1 93 TYR QB . . 4.480 3.118 2.048 3.830 . 0 0 "[ . 1]" 2
139 1 76 ILE HA 1 92 VAL QG . . 4.620 4.686 4.645 4.760 0.140 10 0 "[ . 1]" 2
140 1 76 ILE HB 1 92 VAL QG . . 4.500 4.216 3.688 4.717 0.217 1 0 "[ . 1]" 2
141 1 76 ILE HB 1 93 TYR QB . . 3.730 3.360 2.197 3.837 0.107 1 0 "[ . 1]" 2
142 1 76 ILE QG 1 133 PHE HZ . . 4.260 4.158 3.844 4.334 0.074 8 0 "[ . 1]" 2
143 1 76 ILE MD 1 92 VAL QG . . 5.580 4.020 2.702 4.533 . 0 0 "[ . 1]" 2
144 1 77 GLN H 1 92 VAL QG . . 4.650 4.160 4.008 4.436 . 0 0 "[ . 1]" 2
145 1 77 GLN HA 1 78 VAL QG . . 5.500 3.177 3.024 3.306 . 0 0 "[ . 1]" 2
146 1 77 GLN HA 1 92 VAL QG . . 5.940 2.358 1.934 2.837 . 0 0 "[ . 1]" 2
147 1 77 GLN QB 1 78 VAL H . . 3.430 2.422 1.892 3.044 . 0 0 "[ . 1]" 2
148 1 78 VAL H 1 78 VAL QG . . 4.050 2.208 1.886 2.424 . 0 0 "[ . 1]" 2
149 1 78 VAL HB 1 79 SER QB . . 4.470 4.426 4.110 4.676 0.206 2 0 "[ . 1]" 2
150 1 78 VAL QG 1 79 SER H . . 4.620 2.844 2.459 3.168 . 0 0 "[ . 1]" 2
151 1 78 VAL QG 1 89 TRP HE1 . . 5.850 3.807 2.160 5.967 0.117 8 0 "[ . 1]" 2
152 1 78 VAL QG 1 90 THR H . . 5.200 4.054 3.351 4.669 . 0 0 "[ . 1]" 2
153 1 78 VAL QG 1 112 ALA HA . . 4.740 3.812 3.175 4.245 . 0 0 "[ . 1]" 2
154 1 79 SER QB 1 80 ASN QD . . 5.040 4.815 4.027 5.089 0.049 4 0 "[ . 1]" 2
155 1 79 SER QB 1 86 PRO QB . . 4.530 2.276 1.849 3.515 . 0 0 "[ . 1]" 2
156 1 79 SER QB 1 88 ASN H . . 4.760 4.860 4.565 5.078 0.318 8 0 "[ . 1]" 2
157 1 79 SER QB 1 114 PHE HA . . 5.340 5.077 4.543 5.445 0.105 3 0 "[ . 1]" 2
158 1 79 SER QB 1 114 PHE QD . . 4.860 3.069 1.938 4.158 . 0 0 "[ . 1]" 2
159 1 80 ASN H 1 88 ASN QB . . 4.650 4.322 3.635 5.030 0.380 4 0 "[ . 1]" 2
160 1 80 ASN HA 1 80 ASN QB . . 2.560 2.280 2.162 2.536 . 0 0 "[ . 1]" 2
161 1 80 ASN QB 1 81 ASP H . . 2.830 2.759 2.464 2.886 0.056 2 0 "[ . 1]" 2
162 1 81 ASP HA 1 81 ASP QB . . 2.490 2.466 2.458 2.485 . 0 0 "[ . 1]" 2
163 1 81 ASP QB 1 82 SER H . . 3.160 2.501 2.476 2.532 . 0 0 "[ . 1]" 2
164 1 81 ASP QB 1 87 THR MG . . 4.140 4.118 3.788 4.226 0.086 2 0 "[ . 1]" 2
165 1 82 SER H 1 82 SER QB . . 3.140 2.509 2.301 3.075 . 0 0 "[ . 1]" 2
166 1 82 SER HA 1 82 SER QB . . 2.360 2.273 2.158 2.356 . 0 0 "[ . 1]" 2
167 1 84 SER QB 1 85 THR H . . 3.230 2.993 2.578 3.338 0.108 7 0 "[ . 1]" 2
168 1 85 THR HA 1 86 PRO QD . . 3.070 1.994 1.961 2.028 . 0 0 "[ . 1]" 2
169 1 85 THR MG 1 86 PRO QD . . 4.780 3.336 3.198 3.408 . 0 0 "[ . 1]" 2
170 1 86 PRO QB 1 87 THR H . . 3.730 3.038 2.750 3.166 . 0 0 "[ . 1]" 2
171 1 88 ASN H 1 88 ASN QB . . 3.160 2.300 2.075 2.584 . 0 0 "[ . 1]" 2
172 1 91 THR HA 1 92 VAL QG . . 6.070 3.259 3.159 3.362 . 0 0 "[ . 1]" 2
173 1 91 THR HB 1 93 TYR QB . . 5.030 5.071 4.878 5.229 0.199 9 0 "[ . 1]" 2
174 1 91 THR MG 1 92 VAL QG . . 6.530 4.525 4.423 4.652 . 0 0 "[ . 1]" 2
175 1 91 THR MG 1 94 SER QB . . 4.030 3.875 3.640 4.081 0.051 9 0 "[ . 1]" 2
176 1 92 VAL QG 1 93 TYR H . . 4.710 3.513 3.480 3.539 . 0 0 "[ . 1]" 2
177 1 92 VAL QG 1 93 TYR QB . . 4.350 3.512 3.272 3.999 . 0 0 "[ . 1]" 2
178 1 92 VAL QG 1 105 ILE HA . . 5.830 5.837 5.661 5.904 0.074 6 0 "[ . 1]" 2
179 1 92 VAL QG 1 107 PHE QE . . 4.480 2.925 2.534 3.200 . 0 0 "[ . 1]" 2
180 1 92 VAL QG 1 107 PHE QD . . 4.630 2.337 2.013 2.637 . 0 0 "[ . 1]" 2
181 1 93 TYR QB 1 94 SER H . . 3.400 3.255 2.223 3.529 0.129 2 0 "[ . 1]" 2
182 1 93 TYR QB 1 105 ILE HB . . 4.760 4.006 3.310 4.603 . 0 0 "[ . 1]" 2
183 1 93 TYR QB 1 105 ILE MG . . 4.390 3.151 1.866 4.430 0.040 3 0 "[ . 1]" 2
184 1 94 SER HA 1 94 SER QB . . 2.530 2.181 2.177 2.185 . 0 0 "[ . 1]" 2
185 1 94 SER QB 1 95 THR H . . 3.050 2.890 1.938 3.236 0.186 1 0 "[ . 1]" 2
186 1 94 SER QB 1 95 THR MG . . 6.000 4.707 4.122 5.163 . 0 0 "[ . 1]" 2
187 1 98 GLY QA 1 99 ASP H . . 2.750 2.193 2.113 2.279 . 0 0 "[ . 1]" 2
188 1 99 ASP H 1 99 ASP QB . . 3.370 2.922 2.352 3.234 . 0 0 "[ . 1]" 2
189 1 103 ASP H 1 103 ASP QB . . 3.300 2.448 2.233 2.777 . 0 0 "[ . 1]" 2
190 1 103 ASP HA 1 103 ASP QB . . 2.600 2.356 2.186 2.503 . 0 0 "[ . 1]" 2
191 1 104 ASP H 1 104 ASP QB . . 2.880 2.365 2.270 2.446 . 0 0 "[ . 1]" 2
192 1 107 PHE QB 1 108 ALA H . . 2.820 1.979 1.895 2.101 . 0 0 "[ . 1]" 2
193 1 113 LYS H 1 113 LYS QB . . 3.230 2.471 2.254 2.976 . 0 0 "[ . 1]" 2
194 1 114 PHE H 1 114 PHE QB . . 3.160 2.882 2.704 3.262 0.102 6 0 "[ . 1]" 2
195 1 116 ARG H 1 116 ARG QB . . 2.960 2.795 2.534 3.102 0.142 4 0 "[ . 1]" 2
196 1 117 VAL QG 1 118 TYR QB . . 4.910 4.365 4.113 4.789 . 0 0 "[ . 1]" 2
197 1 117 VAL QG 1 133 PHE HZ . . 4.180 2.543 1.982 3.227 . 0 0 "[ . 1]" 2
198 1 118 TYR H 1 118 TYR QB . . 3.290 2.826 2.378 3.120 . 0 0 "[ . 1]" 2
199 1 122 ARG H 1 122 ARG QB . . 3.030 2.535 2.120 2.695 . 0 0 "[ . 1]" 2
200 1 126 TYR H 1 126 TYR QB . . 3.010 2.331 2.209 2.486 . 0 0 "[ . 1]" 2
201 1 128 TYR QB 1 129 SER H . . 3.590 3.377 3.025 3.830 0.240 5 0 "[ . 1]" 2
202 1 129 SER H 1 129 SER QB . . 3.430 2.703 2.277 3.004 . 0 0 "[ . 1]" 2
203 1 129 SER HA 1 129 SER QB . . 2.470 2.316 2.168 2.523 0.053 7 0 "[ . 1]" 2
204 1 130 LEU H 1 130 LEU QB . . 3.140 2.917 2.597 3.279 0.139 5 0 "[ . 1]" 2
205 1 130 LEU HA 1 130 LEU QD . . 4.100 3.072 1.950 3.469 . 0 0 "[ . 1]" 2
206 1 130 LEU QD 1 131 TRP H . . 5.640 3.979 2.339 4.438 . 0 0 "[ . 1]" 2
207 1 131 TRP H 1 131 TRP QB . . 3.160 2.454 2.282 2.587 . 0 0 "[ . 1]" 2
208 1 133 PHE H 1 133 PHE QB . . 3.260 2.476 2.362 2.544 . 0 0 "[ . 1]" 2
209 1 134 GLU H 1 134 GLU QB . . 3.120 2.502 2.242 3.031 . 0 0 "[ . 1]" 2
210 1 136 TYR H 1 136 TYR QB . . 3.380 3.194 2.893 3.433 0.053 7 0 "[ . 1]" 2
211 1 136 TYR QB 1 137 GLY H . . 3.400 2.752 2.450 3.459 0.059 5 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 44
_Distance_constraint_stats_list.Viol_count 389
_Distance_constraint_stats_list.Viol_total 759.827
_Distance_constraint_stats_list.Viol_max 0.484
_Distance_constraint_stats_list.Viol_rms 0.1320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1727
_Distance_constraint_stats_list.Viol_average_violations_only 0.1953
_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 15 ALA 11.906 0.430 5 0 "[ . 1]"
1 47 GLN 6.548 0.484 8 0 "[ . 1]"
1 49 ILE 3.866 0.383 10 0 "[ . 1]"
1 50 TYR 11.906 0.430 5 0 "[ . 1]"
1 51 ILE 5.498 0.315 8 0 "[ . 1]"
1 57 GLN 2.703 0.245 2 0 "[ . 1]"
1 59 ILE 7.697 0.438 1 0 "[ . 1]"
1 62 VAL 3.262 0.263 4 0 "[ . 1]"
1 63 LYS 6.115 0.393 10 0 "[ . 1]"
1 64 LEU 9.578 0.378 7 0 "[ . 1]"
1 65 ASN 3.806 0.474 10 0 "[ . 1]"
1 75 SER 8.949 0.377 6 0 "[ . 1]"
1 76 ILE 2.345 0.252 4 0 "[ . 1]"
1 77 GLN 3.709 0.325 3 0 "[ . 1]"
1 92 VAL 2.345 0.252 4 0 "[ . 1]"
1 103 ASP 9.578 0.378 7 0 "[ . 1]"
1 105 ILE 3.262 0.263 4 0 "[ . 1]"
1 110 THR 7.697 0.438 1 0 "[ . 1]"
1 112 ALA 2.703 0.245 2 0 "[ . 1]"
1 115 VAL 5.498 0.315 8 0 "[ . 1]"
1 116 ARG 3.709 0.325 3 0 "[ . 1]"
1 117 VAL 3.866 0.383 10 0 "[ . 1]"
1 118 TYR 8.949 0.377 6 0 "[ . 1]"
1 119 ALA 6.548 0.484 8 0 "[ . 1]"
1 132 GLU 3.806 0.474 10 0 "[ . 1]"
1 134 GLU 6.115 0.393 10 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 47 GLN O 1 119 ALA H . . 1.800 2.106 1.834 2.218 0.418 8 0 "[ . 1]" 3
2 1 47 GLN O 1 119 ALA N . . 2.700 3.049 2.800 3.184 0.484 8 0 "[ . 1]" 3
3 1 49 ILE H 1 117 VAL O . . 1.800 1.842 1.756 1.987 0.187 1 0 "[ . 1]" 3
4 1 49 ILE N 1 117 VAL O . . 2.700 2.762 2.698 2.909 0.209 1 0 "[ . 1]" 3
5 1 49 ILE O 1 117 VAL H . . 1.800 1.926 1.781 2.106 0.306 10 0 "[ . 1]" 3
6 1 49 ILE O 1 117 VAL N . . 2.700 2.845 2.747 3.083 0.383 10 0 "[ . 1]" 3
7 1 51 ILE H 1 115 VAL O . . 1.800 1.869 1.751 2.063 0.263 10 0 "[ . 1]" 3
8 1 51 ILE N 1 115 VAL O . . 2.700 2.769 2.678 2.993 0.293 10 0 "[ . 1]" 3
9 1 51 ILE O 1 115 VAL H . . 1.800 1.991 1.828 2.071 0.271 8 0 "[ . 1]" 3
10 1 51 ILE O 1 115 VAL N . . 2.700 2.908 2.759 3.015 0.315 8 0 "[ . 1]" 3
11 1 57 GLN H 1 112 ALA O . . 1.800 1.803 1.762 1.844 0.044 9 0 "[ . 1]" 3
12 1 57 GLN N 1 112 ALA O . . 2.700 2.740 2.680 2.815 0.115 2 0 "[ . 1]" 3
13 1 57 GLN O 1 112 ALA H . . 1.800 1.907 1.802 2.037 0.237 2 0 "[ . 1]" 3
14 1 57 GLN O 1 112 ALA N . . 2.700 2.808 2.732 2.945 0.245 2 0 "[ . 1]" 3
15 1 59 ILE H 1 110 THR O . . 1.800 1.895 1.820 2.022 0.222 5 0 "[ . 1]" 3
16 1 59 ILE N 1 110 THR O . . 2.700 2.813 2.741 2.937 0.237 8 0 "[ . 1]" 3
17 1 59 ILE O 1 110 THR H . . 1.800 2.066 1.803 2.221 0.421 1 0 "[ . 1]" 3
18 1 59 ILE O 1 110 THR N . . 2.700 2.996 2.733 3.138 0.438 1 0 "[ . 1]" 3
19 1 15 ALA H 1 50 TYR O . . 1.800 2.131 2.066 2.196 0.396 5 0 "[ . 1]" 3
20 1 15 ALA N 1 50 TYR O . . 2.700 3.066 2.986 3.130 0.430 5 0 "[ . 1]" 3
21 1 15 ALA O 1 50 TYR H . . 1.800 2.018 1.774 2.166 0.366 2 0 "[ . 1]" 3
22 1 15 ALA O 1 50 TYR N . . 2.700 2.971 2.701 3.084 0.384 2 0 "[ . 1]" 3
23 1 62 VAL H 1 105 ILE O . . 1.800 1.859 1.775 2.063 0.263 4 0 "[ . 1]" 3
24 1 62 VAL N 1 105 ILE O . . 2.700 2.721 2.655 2.854 0.154 7 0 "[ . 1]" 3
25 1 62 VAL O 1 105 ILE H . . 1.800 1.931 1.815 2.038 0.238 10 0 "[ . 1]" 3
26 1 62 VAL O 1 105 ILE N . . 2.700 2.802 2.701 2.916 0.216 9 0 "[ . 1]" 3
27 1 64 LEU H 1 103 ASP O . . 1.800 2.056 1.957 2.119 0.319 1 0 "[ . 1]" 3
28 1 64 LEU N 1 103 ASP O . . 2.700 3.021 2.923 3.078 0.378 7 0 "[ . 1]" 3
29 1 64 LEU O 1 103 ASP H . . 1.800 2.015 1.908 2.128 0.328 2 0 "[ . 1]" 3
30 1 64 LEU O 1 103 ASP N . . 2.700 2.865 2.690 3.031 0.331 2 0 "[ . 1]" 3
31 1 75 SER O 1 118 TYR H . . 1.800 2.116 2.058 2.177 0.377 6 0 "[ . 1]" 3
32 1 75 SER O 1 118 TYR N . . 2.700 3.005 2.924 3.054 0.354 4 0 "[ . 1]" 3
33 1 75 SER H 1 118 TYR O . . 1.800 2.001 1.797 2.078 0.278 6 0 "[ . 1]" 3
34 1 75 SER N 1 118 TYR O . . 2.700 2.770 2.686 2.929 0.229 2 0 "[ . 1]" 3
35 1 77 GLN O 1 116 ARG H . . 1.800 1.841 1.765 2.007 0.207 8 0 "[ . 1]" 3
36 1 77 GLN O 1 116 ARG N . . 2.700 2.781 2.708 2.903 0.203 7 0 "[ . 1]" 3
37 1 77 GLN H 1 116 ARG O . . 1.800 1.925 1.775 2.090 0.290 3 0 "[ . 1]" 3
38 1 77 GLN N 1 116 ARG O . . 2.700 2.808 2.655 3.025 0.325 3 0 "[ . 1]" 3
39 1 76 ILE O 1 92 VAL H . . 1.800 1.961 1.819 2.052 0.252 4 0 "[ . 1]" 3
40 1 76 ILE O 1 92 VAL N . . 2.700 2.768 2.674 2.896 0.196 8 0 "[ . 1]" 3
41 1 63 LYS O 1 134 GLU H . . 1.800 2.073 2.012 2.133 0.333 10 0 "[ . 1]" 3
42 1 63 LYS O 1 134 GLU N . . 2.700 3.039 2.977 3.093 0.393 10 0 "[ . 1]" 3
43 1 65 ASN H 1 132 GLU O . . 1.800 2.116 2.002 2.274 0.474 10 0 "[ . 1]" 3
44 1 65 ASN N 1 132 GLU O . . 2.700 2.754 2.659 3.034 0.334 10 0 "[ . 1]" 3
stop_
save_
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