NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
557591 |
2l9l   |
17477 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l9l
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 1363
_Distance_constraint_stats_list.Viol_count 2150
_Distance_constraint_stats_list.Viol_total 2643.137
_Distance_constraint_stats_list.Viol_max 0.607
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0615
_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 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.134 0.048 1 0 "[ . 1 . 2]"
1 9 GLU 0.466 0.088 13 0 "[ . 1 . 2]"
1 10 PRO 0.863 0.117 3 0 "[ . 1 . 2]"
1 11 LEU 3.323 0.191 11 0 "[ . 1 . 2]"
1 12 GLY 1.798 0.156 11 0 "[ . 1 . 2]"
1 13 LEU 1.780 0.159 7 0 "[ . 1 . 2]"
1 14 LYS 0.817 0.156 11 0 "[ . 1 . 2]"
1 15 ASN 0.940 0.127 15 0 "[ . 1 . 2]"
1 16 ASN 4.060 0.445 15 0 "[ . 1 . 2]"
1 17 THR 3.027 0.445 15 0 "[ . 1 . 2]"
1 18 ILE 0.391 0.155 17 0 "[ . 1 . 2]"
1 19 PRO 2.432 0.607 13 2 "[ . 1- + . 2]"
1 20 ASP 3.092 0.607 13 2 "[ . 1- + . 2]"
1 21 SER 0.938 0.495 11 0 "[ . 1 . 2]"
1 22 GLN 1.363 0.191 9 0 "[ . 1 . 2]"
1 23 MET 0.733 0.154 20 0 "[ . 1 . 2]"
1 24 SER 0.017 0.017 17 0 "[ . 1 . 2]"
1 25 ALA 1.264 0.190 20 0 "[ . 1 . 2]"
1 26 SER 0.486 0.056 8 0 "[ . 1 . 2]"
1 27 SER 0.974 0.326 20 0 "[ . 1 . 2]"
1 28 SER 0.970 0.301 17 0 "[ . 1 . 2]"
1 29 TYR 2.089 0.137 1 0 "[ . 1 . 2]"
1 30 LYS 0.528 0.125 2 0 "[ . 1 . 2]"
1 36 ALA 0.008 0.008 10 0 "[ . 1 . 2]"
1 37 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.008 0.008 10 0 "[ . 1 . 2]"
1 41 PRO 1.696 0.237 20 0 "[ . 1 . 2]"
1 42 HIS 4.219 0.252 9 0 "[ . 1 . 2]"
1 43 LEU 4.819 0.203 16 0 "[ . 1 . 2]"
1 44 GLY 2.359 0.227 8 0 "[ . 1 . 2]"
1 45 ARG 1.201 0.176 3 0 "[ . 1 . 2]"
1 46 LEU 1.207 0.224 19 0 "[ . 1 . 2]"
1 47 ASP 1.386 0.230 19 0 "[ . 1 . 2]"
1 48 ASN 2.514 0.230 19 0 "[ . 1 . 2]"
1 49 GLN 0.453 0.182 19 0 "[ . 1 . 2]"
1 50 GLY 4.705 0.299 6 0 "[ . 1 . 2]"
1 51 LYS 4.085 0.299 6 0 "[ . 1 . 2]"
1 52 ILE 3.005 0.469 6 0 "[ . 1 . 2]"
1 53 ASN 2.306 0.469 6 0 "[ . 1 . 2]"
1 54 ALA 3.899 0.259 20 0 "[ . 1 . 2]"
1 55 TRP 5.809 0.326 20 0 "[ . 1 . 2]"
1 56 THR 7.211 0.342 6 0 "[ . 1 . 2]"
1 57 ALA 2.828 0.326 15 0 "[ . 1 . 2]"
1 58 GLN 0.211 0.048 4 0 "[ . 1 . 2]"
1 59 SER 0.511 0.111 1 0 "[ . 1 . 2]"
1 60 ASN 0.377 0.099 5 0 "[ . 1 . 2]"
1 61 SER 1.280 0.407 5 0 "[ . 1 . 2]"
1 62 ALA 0.475 0.073 17 0 "[ . 1 . 2]"
1 63 LYS 0.028 0.017 15 0 "[ . 1 . 2]"
1 64 GLU 0.069 0.068 15 0 "[ . 1 . 2]"
1 65 TRP 0.854 0.233 20 0 "[ . 1 . 2]"
1 66 LEU 1.179 0.237 20 0 "[ . 1 . 2]"
1 67 GLN 0.357 0.052 4 0 "[ . 1 . 2]"
1 68 VAL 1.847 0.116 11 0 "[ . 1 . 2]"
1 69 ASP 1.291 0.177 14 0 "[ . 1 . 2]"
1 70 LEU 2.452 0.266 15 0 "[ . 1 . 2]"
1 71 GLY 0.205 0.067 18 0 "[ . 1 . 2]"
1 72 THR 1.479 0.266 15 0 "[ . 1 . 2]"
1 73 GLN 0.305 0.094 14 0 "[ . 1 . 2]"
1 74 ARG 0.292 0.097 17 0 "[ . 1 . 2]"
1 75 GLN 0.537 0.082 15 0 "[ . 1 . 2]"
1 76 VAL 1.779 0.161 6 0 "[ . 1 . 2]"
1 77 THR 3.325 0.319 20 0 "[ . 1 . 2]"
1 78 GLY 4.019 0.166 11 0 "[ . 1 . 2]"
1 79 ILE 2.492 0.245 19 0 "[ . 1 . 2]"
1 80 ILE 3.286 0.256 19 0 "[ . 1 . 2]"
1 81 THR 0.108 0.033 5 0 "[ . 1 . 2]"
1 82 GLN 0.209 0.127 14 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 1.817 0.090 1 0 "[ . 1 . 2]"
1 85 ARG 1.021 0.154 5 0 "[ . 1 . 2]"
1 86 ASP 0.395 0.210 19 0 "[ . 1 . 2]"
1 87 PHE 0.707 0.210 19 0 "[ . 1 . 2]"
1 88 GLY 0.069 0.028 16 0 "[ . 1 . 2]"
1 89 HIS 0.115 0.046 5 0 "[ . 1 . 2]"
1 90 ILE 0.395 0.193 19 0 "[ . 1 . 2]"
1 91 GLN 0.907 0.090 1 0 "[ . 1 . 2]"
1 92 TYR 1.043 0.150 18 0 "[ . 1 . 2]"
1 93 VAL 4.380 0.246 20 0 "[ . 1 . 2]"
1 94 ALA 1.710 0.213 6 0 "[ . 1 . 2]"
1 95 SER 0.444 0.152 7 0 "[ . 1 . 2]"
1 96 TYR 4.198 0.297 18 0 "[ . 1 . 2]"
1 97 LYS 2.083 0.294 10 0 "[ . 1 . 2]"
1 98 VAL 0.630 0.117 18 0 "[ . 1 . 2]"
1 99 ALA 1.588 0.531 18 1 "[ . 1 . + 2]"
1 100 HIS 2.927 0.303 18 0 "[ . 1 . 2]"
1 101 SER 2.757 0.306 18 0 "[ . 1 . 2]"
1 102 ASP 0.308 0.174 14 0 "[ . 1 . 2]"
1 103 ASP 0.186 0.084 18 0 "[ . 1 . 2]"
1 104 GLY 1.800 0.306 18 0 "[ . 1 . 2]"
1 105 VAL 0.218 0.081 18 0 "[ . 1 . 2]"
1 106 GLN 0.245 0.063 18 0 "[ . 1 . 2]"
1 107 TRP 2.106 0.154 18 0 "[ . 1 . 2]"
1 108 THR 0.803 0.249 18 0 "[ . 1 . 2]"
1 109 VAL 1.070 0.199 18 0 "[ . 1 . 2]"
1 110 TYR 2.222 0.531 18 1 "[ . 1 . + 2]"
1 111 GLU 1.910 0.293 2 0 "[ . 1 . 2]"
1 112 GLU 1.961 0.353 12 0 "[ . 1 . 2]"
1 113 GLN 0.299 0.194 7 0 "[ . 1 . 2]"
1 114 GLY 0.372 0.248 7 0 "[ . 1 . 2]"
1 115 SER 1.455 0.353 12 0 "[ . 1 . 2]"
1 116 SER 1.518 0.344 12 0 "[ . 1 . 2]"
1 117 LYS 1.398 0.269 10 0 "[ . 1 . 2]"
1 118 VAL 2.218 0.272 9 0 "[ . 1 . 2]"
1 119 PHE 0.636 0.272 9 0 "[ . 1 . 2]"
1 120 GLN 1.113 0.190 8 0 "[ . 1 . 2]"
1 121 GLY 1.702 0.190 8 0 "[ . 1 . 2]"
1 122 ASN 3.115 0.249 18 0 "[ . 1 . 2]"
1 123 LEU 1.684 0.249 18 0 "[ . 1 . 2]"
1 124 ASP 1.361 0.231 5 0 "[ . 1 . 2]"
1 125 ASN 0.995 0.193 19 0 "[ . 1 . 2]"
1 126 ASN 0.153 0.048 5 0 "[ . 1 . 2]"
1 127 SER 0.113 0.043 19 0 "[ . 1 . 2]"
1 128 HIS 4.690 0.256 19 0 "[ . 1 . 2]"
1 129 LYS 3.127 0.233 6 0 "[ . 1 . 2]"
1 130 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ASN 0.060 0.043 19 0 "[ . 1 . 2]"
1 132 ILE 0.421 0.123 10 0 "[ . 1 . 2]"
1 133 PHE 4.490 0.311 19 0 "[ . 1 . 2]"
1 134 GLU 2.293 0.256 20 0 "[ . 1 . 2]"
1 135 LYS 1.642 0.260 2 0 "[ . 1 . 2]"
1 136 PRO 1.246 0.094 3 0 "[ . 1 . 2]"
1 137 PHE 1.325 0.094 3 0 "[ . 1 . 2]"
1 138 MET 0.268 0.097 17 0 "[ . 1 . 2]"
1 139 ALA 0.740 0.112 18 0 "[ . 1 . 2]"
1 140 ARG 0.926 0.177 14 0 "[ . 1 . 2]"
1 141 TYR 3.396 0.212 12 0 "[ . 1 . 2]"
1 142 VAL 6.083 0.212 12 0 "[ . 1 . 2]"
1 143 ARG 1.796 0.109 10 0 "[ . 1 . 2]"
1 144 VAL 5.098 0.303 18 0 "[ . 1 . 2]"
1 145 LEU 3.974 0.297 18 0 "[ . 1 . 2]"
1 146 PRO 0.511 0.231 6 0 "[ . 1 . 2]"
1 147 VAL 2.550 0.206 6 0 "[ . 1 . 2]"
1 148 SER 1.373 0.149 16 0 "[ . 1 . 2]"
1 149 TRP 2.706 0.213 6 0 "[ . 1 . 2]"
1 150 HIS 0.562 0.078 6 0 "[ . 1 . 2]"
1 151 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 ARG 7.292 0.342 6 0 "[ . 1 . 2]"
1 153 ILE 3.535 0.407 5 0 "[ . 1 . 2]"
1 154 THR 8.124 0.259 20 0 "[ . 1 . 2]"
1 155 LEU 2.971 0.248 9 0 "[ . 1 . 2]"
1 156 ARG 1.317 0.227 8 0 "[ . 1 . 2]"
1 157 LEU 0.355 0.081 8 0 "[ . 1 . 2]"
1 158 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 LEU 0.803 0.220 15 0 "[ . 1 . 2]"
1 160 LEU 3.450 0.220 15 0 "[ . 1 . 2]"
1 161 GLY 3.512 0.193 13 0 "[ . 1 . 2]"
1 162 CYS 1.932 0.319 20 0 "[ . 1 . 2]"
1 163 LEU 1.272 0.368 20 0 "[ . 1 . 2]"
1 164 GLU 0.664 0.368 20 0 "[ . 1 . 2]"
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 1 130 LYS H 1 130 LYS HG3 . . 5.500 4.489 3.270 5.268 . 0 0 "[ . 1 . 2]" 1
2 1 28 SER HA 1 55 TRP HE1 . . 3.680 3.307 2.590 3.864 0.184 9 0 "[ . 1 . 2]" 1
3 1 25 ALA MB 1 55 TRP HE1 . . 3.420 2.310 1.883 3.395 . 0 0 "[ . 1 . 2]" 1
4 1 99 ALA HA 1 110 TYR H . . 4.870 4.160 2.812 5.401 0.531 18 1 "[ . 1 . + 2]" 1
5 1 111 GLU H 1 111 GLU HB3 . . 3.660 2.936 2.263 3.818 0.158 2 0 "[ . 1 . 2]" 1
6 1 118 VAL MG2 1 119 PHE H . . 4.870 3.183 2.225 4.247 . 0 0 "[ . 1 . 2]" 1
7 1 116 SER HB3 1 117 LYS H . . 5.120 4.430 3.444 4.670 . 0 0 "[ . 1 . 2]" 1
8 1 117 LYS H 1 117 LYS HG3 . . 5.360 4.197 1.814 4.614 . 0 0 "[ . 1 . 2]" 1
9 1 65 TRP HA 1 145 LEU H . . 5.280 5.142 4.803 5.356 0.076 17 0 "[ . 1 . 2]" 1
10 1 97 LYS HB3 1 145 LEU H . . 5.170 3.188 2.249 4.476 . 0 0 "[ . 1 . 2]" 1
11 1 66 LEU HB3 1 67 GLN H . . 4.340 4.220 3.874 4.353 0.013 3 0 "[ . 1 . 2]" 1
12 1 99 ALA H 1 142 VAL HB . . 5.120 4.296 4.158 4.532 . 0 0 "[ . 1 . 2]" 1
13 1 69 ASP HA 1 140 ARG HE . . 4.790 4.604 3.910 4.967 0.177 14 0 "[ . 1 . 2]" 1
14 1 158 GLU HG3 1 159 LEU H . . 5.500 3.912 2.309 5.037 . 0 0 "[ . 1 . 2]" 1
15 1 102 ASP H 1 139 ALA MB . . 4.970 4.710 4.287 4.999 0.029 4 0 "[ . 1 . 2]" 1
16 1 78 GLY HA2 1 133 PHE H . . 5.100 4.031 1.897 4.778 . 0 0 "[ . 1 . 2]" 1
17 1 132 ILE HB 1 133 PHE H . . 4.040 3.225 1.950 4.124 0.084 10 0 "[ . 1 . 2]" 1
18 1 77 THR MG 1 133 PHE H . . 4.720 4.355 3.650 4.753 0.033 20 0 "[ . 1 . 2]" 1
19 1 132 ILE MD 1 133 PHE H . . 4.340 3.723 3.251 4.209 . 0 0 "[ . 1 . 2]" 1
20 1 79 ILE MG 1 159 LEU H . . 5.420 4.675 4.088 5.453 0.033 3 0 "[ . 1 . 2]" 1
21 1 29 TYR H 1 57 ALA HA . . 4.730 3.969 3.501 4.263 . 0 0 "[ . 1 . 2]" 1
22 1 86 ASP HA 1 87 PHE H . . 3.520 2.748 2.298 3.485 . 0 0 "[ . 1 . 2]" 1
23 1 9 GLU HG3 1 163 LEU H . . 5.500 4.809 3.356 5.514 0.014 3 0 "[ . 1 . 2]" 1
24 1 13 LEU MD1 1 46 LEU H . . 4.810 3.237 1.926 4.836 0.026 19 0 "[ . 1 . 2]" 1
25 1 13 LEU MD2 1 46 LEU H . . 4.810 3.157 1.846 4.676 . 0 0 "[ . 1 . 2]" 1
26 1 13 LEU H 1 13 LEU HG . . 3.810 2.802 2.151 3.969 0.159 7 0 "[ . 1 . 2]" 1
27 1 13 LEU H 1 13 LEU HB3 . . 3.980 3.774 3.591 3.930 . 0 0 "[ . 1 . 2]" 1
28 1 13 LEU H 1 13 LEU MD2 . . 4.650 3.574 1.980 4.453 . 0 0 "[ . 1 . 2]" 1
29 1 70 LEU H 1 141 TYR HA . . 4.670 2.955 2.426 3.382 . 0 0 "[ . 1 . 2]" 1
30 1 70 LEU H 1 70 LEU HG . . 4.260 3.376 1.940 4.298 0.038 16 0 "[ . 1 . 2]" 1
31 1 96 TYR HB3 1 147 VAL H . . 5.500 4.421 3.297 5.678 0.178 20 0 "[ . 1 . 2]" 1
32 1 82 GLN H 1 157 LEU HA . . 4.900 3.988 3.663 4.240 . 0 0 "[ . 1 . 2]" 1
33 1 18 ILE H 1 18 ILE HG13 . . 4.220 3.128 1.950 3.884 . 0 0 "[ . 1 . 2]" 1
34 1 11 LEU HA 1 13 LEU H . . 5.500 4.725 4.576 4.868 . 0 0 "[ . 1 . 2]" 1
35 1 75 GLN HA 1 139 ALA H . . 4.020 3.502 3.104 3.652 . 0 0 "[ . 1 . 2]" 1
36 1 138 MET HB3 1 139 ALA H . . 4.610 3.659 2.662 4.278 . 0 0 "[ . 1 . 2]" 1
37 1 68 VAL H 1 143 ARG HA . . 4.220 3.280 2.781 3.571 . 0 0 "[ . 1 . 2]" 1
38 1 68 VAL H 1 142 VAL MG2 . . 4.740 2.583 1.934 3.127 . 0 0 "[ . 1 . 2]" 1
39 1 128 HIS H 1 129 LYS HA . . 5.320 5.292 4.494 5.553 0.233 6 0 "[ . 1 . 2]" 1
40 1 80 ILE MD 1 128 HIS H . . 4.950 4.704 2.574 5.048 0.098 4 0 "[ . 1 . 2]" 1
41 1 9 GLU H 1 160 LEU HA . . 4.100 3.973 3.501 4.188 0.088 13 0 "[ . 1 . 2]" 1
42 1 9 GLU H 1 10 PRO HD3 . . 5.500 4.938 3.921 5.052 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLU H 1 161 GLY HA2 . . 4.740 4.229 4.067 4.368 . 0 0 "[ . 1 . 2]" 1
44 1 80 ILE MD 1 129 LYS H . . 3.710 2.778 1.903 3.380 . 0 0 "[ . 1 . 2]" 1
45 1 128 HIS HB3 1 129 LYS H . . 4.440 3.875 1.940 4.478 0.038 4 0 "[ . 1 . 2]" 1
46 1 129 LYS H 1 129 LYS HG3 . . 5.500 4.607 4.245 5.067 . 0 0 "[ . 1 . 2]" 1
47 1 11 LEU H 1 11 LEU MD2 . . 3.780 2.809 1.822 3.971 0.191 11 0 "[ . 1 . 2]" 1
48 1 92 TYR HB3 1 93 VAL H . . 4.510 3.823 3.585 4.020 . 0 0 "[ . 1 . 2]" 1
49 1 20 ASP HA 1 23 MET H . . 4.750 4.274 3.413 4.696 . 0 0 "[ . 1 . 2]" 1
50 1 21 SER HA 1 23 MET H . . 5.100 4.332 4.111 4.558 . 0 0 "[ . 1 . 2]" 1
51 1 57 ALA MB 1 58 GLN H . . 4.040 2.437 2.277 3.037 . 0 0 "[ . 1 . 2]" 1
52 1 155 LEU MD2 1 156 ARG H . . 4.460 3.274 2.159 4.200 . 0 0 "[ . 1 . 2]" 1
53 1 29 TYR HA 1 58 GLN H . . 5.430 4.523 4.191 4.818 . 0 0 "[ . 1 . 2]" 1
54 1 58 GLN H 1 58 GLN HG3 . . 5.500 4.589 4.238 4.772 . 0 0 "[ . 1 . 2]" 1
55 1 74 ARG HD3 1 75 GLN H . . 4.260 2.827 2.235 3.995 . 0 0 "[ . 1 . 2]" 1
56 1 103 ASP HA 1 105 VAL H . . 5.090 4.448 4.250 4.580 . 0 0 "[ . 1 . 2]" 1
57 1 101 SER HA 1 106 GLN H . . 4.810 4.711 4.492 4.818 0.008 15 0 "[ . 1 . 2]" 1
58 1 105 VAL HB 1 106 GLN H . . 4.170 3.973 3.791 4.145 . 0 0 "[ . 1 . 2]" 1
59 1 155 LEU MD1 1 156 ARG H . . 4.460 3.483 2.281 4.002 . 0 0 "[ . 1 . 2]" 1
60 1 163 LEU HA 1 164 GLU H . . 3.020 2.963 2.871 3.312 0.292 20 0 "[ . 1 . 2]" 1
61 1 164 GLU H 1 164 GLU HG3 . . 5.410 4.506 3.856 5.045 . 0 0 "[ . 1 . 2]" 1
62 1 81 THR HA 1 158 GLU H . . 4.470 3.144 2.740 3.475 . 0 0 "[ . 1 . 2]" 1
63 1 152 ARG H 1 153 ILE MD . . 4.990 4.908 4.443 5.104 0.114 13 0 "[ . 1 . 2]" 1
64 1 131 ASN HB3 1 132 ILE H . . 4.110 3.242 2.899 3.638 . 0 0 "[ . 1 . 2]" 1
65 1 159 LEU HG 1 160 LEU H . . 4.890 4.608 3.814 5.110 0.220 15 0 "[ . 1 . 2]" 1
66 1 73 GLN H 1 73 GLN HB3 . . 3.820 3.721 3.523 3.788 . 0 0 "[ . 1 . 2]" 1
67 1 158 GLU H 1 158 GLU HG3 . . 5.500 4.137 3.141 4.710 . 0 0 "[ . 1 . 2]" 1
68 1 94 ALA MB 1 122 ASN H . . 4.790 4.129 3.029 4.731 . 0 0 "[ . 1 . 2]" 1
69 1 159 LEU HB3 1 160 LEU H . . 4.120 3.894 2.967 4.177 0.057 8 0 "[ . 1 . 2]" 1
70 1 76 VAL HB 1 160 LEU H . . 4.130 3.898 3.646 4.176 0.046 11 0 "[ . 1 . 2]" 1
71 1 160 LEU H 1 160 LEU HG . . 4.460 2.965 2.285 4.372 . 0 0 "[ . 1 . 2]" 1
72 1 84 ALA H 1 92 TYR HA . . 4.250 3.533 3.163 3.953 . 0 0 "[ . 1 . 2]" 1
73 1 84 ALA H 1 154 THR MG . . 4.230 3.750 3.390 4.014 . 0 0 "[ . 1 . 2]" 1
74 1 63 LYS HG3 1 64 GLU H . . 5.500 4.115 2.755 4.905 . 0 0 "[ . 1 . 2]" 1
75 1 64 GLU H 1 153 ILE MD . . 5.500 5.048 4.736 5.493 . 0 0 "[ . 1 . 2]" 1
76 1 66 LEU H 1 66 LEU MD2 . . 5.230 4.227 3.777 4.465 . 0 0 "[ . 1 . 2]" 1
77 1 148 SER HB3 1 149 TRP H . . 4.240 3.587 3.273 3.788 . 0 0 "[ . 1 . 2]" 1
78 1 25 ALA H 1 41 PRO HG3 . . 4.010 3.034 2.229 3.713 . 0 0 "[ . 1 . 2]" 1
79 1 140 ARG H 1 140 ARG HG3 . . 5.450 3.989 2.305 4.922 . 0 0 "[ . 1 . 2]" 1
80 1 85 ARG H 1 154 THR MG . . 4.980 4.375 3.397 5.017 0.037 11 0 "[ . 1 . 2]" 1
81 1 61 SER HB3 1 63 LYS H . . 4.440 2.600 2.009 3.803 . 0 0 "[ . 1 . 2]" 1
82 1 96 TYR H 1 119 PHE HB3 . . 5.410 4.420 3.753 5.433 0.023 9 0 "[ . 1 . 2]" 1
83 1 79 ILE H 1 79 ILE MD . . 3.810 3.342 1.841 3.912 0.102 8 0 "[ . 1 . 2]" 1
84 1 103 ASP H 1 104 GLY HA3 . . 5.070 4.923 4.906 4.983 . 0 0 "[ . 1 . 2]" 1
85 1 103 ASP H 1 104 GLY HA2 . . 4.760 4.580 4.557 4.631 . 0 0 "[ . 1 . 2]" 1
86 1 101 SER HA 1 103 ASP H . . 4.170 3.942 3.691 4.254 0.084 18 0 "[ . 1 . 2]" 1
87 1 100 HIS H 1 107 TRP HA . . 4.400 4.377 4.155 4.510 0.110 18 0 "[ . 1 . 2]" 1
88 1 75 GLN HB3 1 162 CYS H . . 4.450 4.076 3.755 4.444 . 0 0 "[ . 1 . 2]" 1
89 1 55 TRP H 1 84 ALA MB . . 5.500 4.912 4.586 5.232 . 0 0 "[ . 1 . 2]" 1
90 1 162 CYS H 1 162 CYS HB3 . . 3.780 3.108 2.466 3.561 . 0 0 "[ . 1 . 2]" 1
91 1 77 THR MG 1 162 CYS H . . 4.280 4.215 4.035 4.334 0.054 11 0 "[ . 1 . 2]" 1
92 1 24 SER H 1 68 VAL MG1 . . 5.500 4.322 3.892 4.613 . 0 0 "[ . 1 . 2]" 1
93 1 24 SER H 1 68 VAL MG2 . . 5.500 3.277 2.745 4.024 . 0 0 "[ . 1 . 2]" 1
94 1 26 SER H 1 66 LEU HA . . 4.430 3.559 3.287 3.826 . 0 0 "[ . 1 . 2]" 1
95 1 141 TYR H 1 141 TYR HB3 . . 4.140 2.980 2.772 3.672 . 0 0 "[ . 1 . 2]" 1
96 1 76 VAL MG1 1 77 THR H . . 4.120 3.877 3.766 3.926 . 0 0 "[ . 1 . 2]" 1
97 1 94 ALA MB 1 95 SER H . . 3.110 2.098 1.910 2.496 . 0 0 "[ . 1 . 2]" 1
98 1 93 VAL HA 1 95 SER H . . 5.090 4.898 4.155 5.131 0.041 20 0 "[ . 1 . 2]" 1
99 1 124 ASP HA 1 126 ASN H . . 4.480 4.169 3.559 4.528 0.048 5 0 "[ . 1 . 2]" 1
100 1 113 GLN HB3 1 115 SER H . . 5.500 4.755 2.906 5.524 0.024 18 0 "[ . 1 . 2]" 1
101 1 101 SER H 1 142 VAL MG1 . . 4.460 2.687 2.285 3.351 . 0 0 "[ . 1 . 2]" 1
102 1 101 SER H 1 139 ALA MB . . 3.760 3.461 2.863 3.678 . 0 0 "[ . 1 . 2]" 1
103 1 101 SER H 1 107 TRP HA . . 5.050 4.635 4.460 5.059 0.009 17 0 "[ . 1 . 2]" 1
104 1 15 ASN H 1 16 ASN HA . . 4.620 4.527 4.286 4.747 0.127 15 0 "[ . 1 . 2]" 1
105 1 27 SER H 1 27 SER HB3 . . 4.140 3.561 2.955 3.980 . 0 0 "[ . 1 . 2]" 1
106 1 27 SER H 1 58 GLN HB3 . . 4.710 4.507 3.824 4.720 0.010 16 0 "[ . 1 . 2]" 1
107 1 25 ALA MB 1 27 SER H . . 3.200 2.725 2.402 3.232 0.032 9 0 "[ . 1 . 2]" 1
108 1 96 TYR HA 1 148 SER H . . 4.880 4.135 3.936 4.262 . 0 0 "[ . 1 . 2]" 1
109 1 146 PRO HA 1 148 SER H . . 4.180 4.065 3.897 4.236 0.056 19 0 "[ . 1 . 2]" 1
110 1 147 VAL MG2 1 148 SER H . . 3.900 3.696 1.928 3.914 0.014 9 0 "[ . 1 . 2]" 1
111 1 69 ASP HA 1 71 GLY H . . 4.290 4.072 3.657 4.357 0.067 18 0 "[ . 1 . 2]" 1
112 1 71 GLY H 1 72 THR MG . . 4.510 4.154 3.997 4.454 . 0 0 "[ . 1 . 2]" 1
113 1 78 GLY H 1 159 LEU HA . . 5.500 5.348 5.146 5.538 0.038 3 0 "[ . 1 . 2]" 1
114 1 78 GLY H 1 160 LEU HA . . 5.500 5.418 5.234 5.600 0.100 6 0 "[ . 1 . 2]" 1
115 1 76 VAL MG2 1 78 GLY H . . 3.810 3.484 3.264 3.748 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASN HA 1 16 ASN HD21 . . 4.860 4.662 3.934 4.877 0.017 19 0 "[ . 1 . 2]" 1
117 1 16 ASN HD21 1 17 THR MG . . 5.500 5.267 5.156 5.627 0.127 15 0 "[ . 1 . 2]" 1
118 1 15 ASN HB3 1 16 ASN HD22 . . 4.720 4.371 2.363 4.715 . 0 0 "[ . 1 . 2]" 1
119 1 160 LEU HA 1 161 GLY H . . 3.360 2.268 2.247 2.314 . 0 0 "[ . 1 . 2]" 1
120 1 160 LEU MD1 1 161 GLY H . . 4.810 4.677 3.392 5.003 0.193 13 0 "[ . 1 . 2]" 1
121 1 160 LEU MD2 1 161 GLY H . . 4.810 4.197 3.820 4.857 0.047 19 0 "[ . 1 . 2]" 1
122 1 49 GLN HA 1 50 GLY H . . 3.560 3.147 2.201 3.549 . 0 0 "[ . 1 . 2]" 1
123 1 49 GLN HG3 1 50 GLY H . . 4.520 3.180 2.203 4.454 . 0 0 "[ . 1 . 2]" 1
124 1 42 HIS H 1 43 LEU MD2 . . 4.960 3.770 2.841 5.128 0.168 16 0 "[ . 1 . 2]" 1
125 1 28 SER HA 1 57 ALA H . . 5.420 4.680 4.507 4.880 . 0 0 "[ . 1 . 2]" 1
126 1 152 ARG HB3 1 152 ARG HE . . 5.500 4.067 2.644 5.060 . 0 0 "[ . 1 . 2]" 1
127 1 60 ASN HB3 1 61 SER H . . 5.380 4.614 4.568 4.656 . 0 0 "[ . 1 . 2]" 1
128 1 61 SER H 1 153 ILE MD . . 3.420 2.982 2.614 3.827 0.407 5 0 "[ . 1 . 2]" 1
129 1 26 SER H 1 65 TRP HE1 . . 4.380 4.010 3.462 4.334 . 0 0 "[ . 1 . 2]" 1
130 1 101 SER H 1 143 ARG H . . 4.850 4.435 4.161 4.724 . 0 0 "[ . 1 . 2]" 1
131 1 100 HIS HD2 1 143 ARG H . . 4.990 4.770 4.267 4.998 0.008 18 0 "[ . 1 . 2]" 1
132 1 23 MET H 1 24 SER H . . 4.660 4.564 4.509 4.600 . 0 0 "[ . 1 . 2]" 1
133 1 26 SER H 1 65 TRP H . . 4.320 3.009 2.633 3.369 . 0 0 "[ . 1 . 2]" 1
134 1 27 SER H 1 58 GLN H . . 5.130 4.371 3.749 4.796 . 0 0 "[ . 1 . 2]" 1
135 1 64 GLU H 1 65 TRP H . . 4.790 4.608 4.565 4.639 . 0 0 "[ . 1 . 2]" 1
136 1 29 TYR H 1 57 ALA H . . 4.120 4.153 4.006 4.257 0.137 1 0 "[ . 1 . 2]" 1
137 1 149 TRP H 1 149 TRP HD1 . . 4.670 4.582 4.240 4.713 0.043 19 0 "[ . 1 . 2]" 1
138 1 112 GLU H 1 115 SER H . . 4.160 3.831 3.027 4.513 0.353 12 0 "[ . 1 . 2]" 1
139 1 133 PHE QD 1 135 LYS H . . 5.250 4.152 1.866 5.003 . 0 0 "[ . 1 . 2]" 1
140 1 54 ALA H 1 55 TRP H . . 4.070 4.101 3.775 4.297 0.227 12 0 "[ . 1 . 2]" 1
141 1 24 SER H 1 67 GLN H . . 4.140 3.365 3.038 3.657 . 0 0 "[ . 1 . 2]" 1
142 1 69 ASP H 1 70 LEU H . . 4.730 4.378 4.308 4.477 . 0 0 "[ . 1 . 2]" 1
143 1 101 SER H 1 142 VAL H . . 5.100 4.448 4.278 4.722 . 0 0 "[ . 1 . 2]" 1
144 1 27 SER H 1 55 TRP HE1 . . 4.150 4.095 3.651 4.476 0.326 20 0 "[ . 1 . 2]" 1
145 1 97 LYS H 1 145 LEU H . . 4.320 2.933 2.603 3.420 . 0 0 "[ . 1 . 2]" 1
146 1 43 LEU MD1 1 54 ALA H . . 4.350 3.789 2.429 4.537 0.187 12 0 "[ . 1 . 2]" 1
147 1 57 ALA MB 1 59 SER H . . 3.460 3.246 2.642 3.516 0.056 9 0 "[ . 1 . 2]" 1
148 1 108 THR MG 1 109 VAL HA . . 4.710 4.011 3.711 4.547 . 0 0 "[ . 1 . 2]" 1
149 1 107 TRP HA 1 108 THR HG1 . . 5.450 4.438 4.019 5.244 . 0 0 "[ . 1 . 2]" 1
150 1 61 SER HA 1 62 ALA MB . . 4.520 4.013 3.633 4.158 . 0 0 "[ . 1 . 2]" 1
151 1 8 SER HA 1 160 LEU MD1 . . 4.850 3.987 3.211 4.681 . 0 0 "[ . 1 . 2]" 1
152 1 8 SER HA 1 160 LEU MD2 . . 4.850 4.049 2.730 4.895 0.045 11 0 "[ . 1 . 2]" 1
153 1 63 LYS HA 1 63 LYS HD3 . . 5.460 4.784 4.061 5.458 . 0 0 "[ . 1 . 2]" 1
154 1 122 ASN HA 1 123 LEU HG . . 3.980 3.784 3.288 4.229 0.249 18 0 "[ . 1 . 2]" 1
155 1 102 ASP HA 1 140 ARG HG3 . . 5.500 4.746 3.521 5.674 0.174 14 0 "[ . 1 . 2]" 1
156 1 81 THR MG 1 82 GLN HA . . 4.350 3.667 3.178 4.137 . 0 0 "[ . 1 . 2]" 1
157 1 90 ILE MG 1 91 GLN HA . . 4.140 3.693 3.543 3.918 . 0 0 "[ . 1 . 2]" 1
158 1 131 ASN HA 1 132 ILE MG . . 5.500 4.667 4.204 5.268 . 0 0 "[ . 1 . 2]" 1
159 1 43 LEU HA 1 43 LEU MD2 . . 4.090 3.217 2.615 3.809 . 0 0 "[ . 1 . 2]" 1
160 1 138 MET HA 1 138 MET ME . . 4.220 3.763 3.480 4.135 . 0 0 "[ . 1 . 2]" 1
161 1 75 GLN HA 1 138 MET ME . . 4.520 4.371 3.644 4.546 0.026 12 0 "[ . 1 . 2]" 1
162 1 77 THR MG 1 136 PRO HG3 . . 3.910 2.814 2.237 3.927 0.017 10 0 "[ . 1 . 2]" 1
163 1 76 VAL MG2 1 79 ILE MG . . 4.540 3.791 3.551 4.037 . 0 0 "[ . 1 . 2]" 1
164 1 76 VAL HB 1 79 ILE MG . . 3.950 3.648 3.219 4.000 0.050 20 0 "[ . 1 . 2]" 1
165 1 7 CYS HB3 1 77 THR MG . . 5.500 3.781 2.700 5.033 . 0 0 "[ . 1 . 2]" 1
166 1 64 GLU HB3 1 153 ILE MD . . 5.500 4.835 4.268 5.568 0.068 15 0 "[ . 1 . 2]" 1
167 1 54 ALA H 1 154 THR MG . . 4.810 4.841 4.719 5.069 0.259 20 0 "[ . 1 . 2]" 1
168 1 99 ALA MB 1 107 TRP HD1 . . 5.170 4.887 4.525 5.324 0.154 18 0 "[ . 1 . 2]" 1
169 1 66 LEU H 1 66 LEU MD1 . . 5.230 4.388 4.031 4.608 . 0 0 "[ . 1 . 2]" 1
170 1 77 THR MG 1 133 PHE QD . . 4.220 3.300 2.828 4.243 0.023 10 0 "[ . 1 . 2]" 1
171 1 29 TYR HA 1 57 ALA H . . 5.180 5.216 5.183 5.253 0.073 19 0 "[ . 1 . 2]" 1
172 1 10 PRO HA 1 11 LEU H . . 3.390 2.920 2.619 3.490 0.100 17 0 "[ . 1 . 2]" 1
173 1 11 LEU H 1 11 LEU MD1 . . 3.780 2.517 1.759 3.807 0.027 14 0 "[ . 1 . 2]" 1
174 1 11 LEU H 1 11 LEU HB3 . . 3.990 3.399 3.047 3.724 . 0 0 "[ . 1 . 2]" 1
175 1 11 LEU H 1 11 LEU HG . . 4.330 3.044 1.943 3.951 . 0 0 "[ . 1 . 2]" 1
176 1 11 LEU HA 1 12 GLY H . . 3.440 3.365 2.872 3.568 0.128 8 0 "[ . 1 . 2]" 1
177 1 11 LEU HB3 1 12 GLY H . . 5.140 4.245 3.562 4.640 . 0 0 "[ . 1 . 2]" 1
178 1 11 LEU HG 1 12 GLY H . . 5.500 3.772 1.991 5.527 0.027 7 0 "[ . 1 . 2]" 1
179 1 11 LEU MD2 1 12 GLY H . . 4.740 3.216 2.099 4.583 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU H 1 13 LEU MD1 . . 4.650 3.831 3.134 4.181 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU H 1 14 LYS H . . 3.580 2.173 1.892 2.585 . 0 0 "[ . 1 . 2]" 1
182 1 11 LEU H 1 14 LYS H . . 5.500 5.071 3.760 5.577 0.077 15 0 "[ . 1 . 2]" 1
183 1 13 LEU HB3 1 14 LYS H . . 4.560 4.397 4.162 4.579 0.019 9 0 "[ . 1 . 2]" 1
184 1 14 LYS H 1 16 ASN H . . 5.040 3.460 2.422 3.782 . 0 0 "[ . 1 . 2]" 1
185 1 16 ASN H 1 18 ILE H . . 5.070 4.947 4.572 5.225 0.155 17 0 "[ . 1 . 2]" 1
186 1 16 ASN H 1 16 ASN HA . . 2.860 2.811 2.757 2.947 0.087 7 0 "[ . 1 . 2]" 1
187 1 15 ASN HB3 1 16 ASN H . . 4.710 3.425 3.185 4.225 . 0 0 "[ . 1 . 2]" 1
188 1 16 ASN H 1 17 THR MG . . 4.270 4.003 3.377 4.715 0.445 15 0 "[ . 1 . 2]" 1
189 1 21 SER H 1 22 GLN H . . 3.470 2.602 1.881 3.641 0.171 11 0 "[ . 1 . 2]" 1
190 1 19 PRO HA 1 21 SER H . . 4.450 4.368 4.090 4.945 0.495 11 0 "[ . 1 . 2]" 1
191 1 22 GLN HG3 1 23 MET H . . 3.700 2.209 1.885 2.741 . 0 0 "[ . 1 . 2]" 1
192 1 23 MET HA 1 24 SER H . . 3.080 2.296 2.198 2.446 . 0 0 "[ . 1 . 2]" 1
193 1 24 SER H 1 68 VAL HA . . 3.680 3.287 2.991 3.697 0.017 17 0 "[ . 1 . 2]" 1
194 1 25 ALA HA 1 67 GLN H . . 4.100 2.552 2.314 2.768 . 0 0 "[ . 1 . 2]" 1
195 1 66 LEU HG 1 67 GLN H . . 4.890 3.080 2.397 4.686 . 0 0 "[ . 1 . 2]" 1
196 1 25 ALA HA 1 26 SER H . . 3.210 2.499 2.396 2.650 . 0 0 "[ . 1 . 2]" 1
197 1 26 SER H 1 26 SER HB3 . . 4.140 2.690 2.124 3.334 . 0 0 "[ . 1 . 2]" 1
198 1 26 SER H 1 27 SER H . . 3.220 2.895 2.766 3.147 . 0 0 "[ . 1 . 2]" 1
199 1 27 SER HA 1 28 SER H . . 3.190 2.421 2.156 3.491 0.301 17 0 "[ . 1 . 2]" 1
200 1 27 SER HB3 1 28 SER H . . 4.070 3.188 1.950 4.079 0.009 10 0 "[ . 1 . 2]" 1
201 1 59 SER HA 1 60 ASN HD21 . . 3.970 3.379 2.910 4.009 0.039 5 0 "[ . 1 . 2]" 1
202 1 111 GLU HA 1 117 LYS H . . 3.570 2.650 2.012 3.595 0.025 18 0 "[ . 1 . 2]" 1
203 1 116 SER HA 1 117 LYS H . . 3.270 2.450 2.153 2.855 . 0 0 "[ . 1 . 2]" 1
204 1 101 SER HA 1 107 TRP H . . 5.120 5.154 5.017 5.200 0.080 12 0 "[ . 1 . 2]" 1
205 1 107 TRP H 1 107 TRP HB3 . . 3.820 3.683 3.602 3.817 . 0 0 "[ . 1 . 2]" 1
206 1 97 LYS H 1 147 VAL H . . 4.960 4.330 3.948 4.784 . 0 0 "[ . 1 . 2]" 1
207 1 97 LYS H 1 146 PRO HA . . 4.270 3.254 3.086 3.469 . 0 0 "[ . 1 . 2]" 1
208 1 97 LYS H 1 144 VAL HA . . 5.370 4.754 4.415 5.232 . 0 0 "[ . 1 . 2]" 1
209 1 97 LYS H 1 98 VAL H . . 4.910 4.306 4.004 4.471 . 0 0 "[ . 1 . 2]" 1
210 1 80 ILE HA 1 129 LYS H . . 5.250 4.326 3.870 4.764 . 0 0 "[ . 1 . 2]" 1
211 1 128 HIS HA 1 129 LYS H . . 3.310 2.384 2.162 3.513 0.203 19 0 "[ . 1 . 2]" 1
212 1 81 THR H 1 129 LYS H . . 4.460 2.802 2.294 3.164 . 0 0 "[ . 1 . 2]" 1
213 1 80 ILE H 1 81 THR H . . 4.790 4.284 4.172 4.382 . 0 0 "[ . 1 . 2]" 1
214 1 80 ILE H 1 157 LEU HA . . 5.050 4.786 4.071 5.131 0.081 8 0 "[ . 1 . 2]" 1
215 1 78 GLY H 1 161 GLY HA2 . . 4.400 3.964 3.810 4.093 . 0 0 "[ . 1 . 2]" 1
216 1 76 VAL HA 1 78 GLY H . . 4.080 3.814 3.628 4.021 . 0 0 "[ . 1 . 2]" 1
217 1 77 THR HB 1 78 GLY H . . 4.090 3.994 3.720 4.116 0.026 7 0 "[ . 1 . 2]" 1
218 1 74 ARG H 1 139 ALA H . . 3.530 2.827 2.507 3.170 . 0 0 "[ . 1 . 2]" 1
219 1 130 LYS HB3 1 131 ASN H . . 5.160 3.194 1.931 4.305 . 0 0 "[ . 1 . 2]" 1
220 1 112 GLU H 1 116 SER HA . . 3.720 3.671 3.041 4.064 0.344 12 0 "[ . 1 . 2]" 1
221 1 61 SER H 1 62 ALA H . . 4.720 3.945 1.951 4.462 . 0 0 "[ . 1 . 2]" 1
222 1 61 SER H 1 63 LYS H . . 4.690 4.249 2.985 4.699 0.009 10 0 "[ . 1 . 2]" 1
223 1 60 ASN HA 1 61 SER H . . 3.210 2.748 2.412 2.885 . 0 0 "[ . 1 . 2]" 1
224 1 53 ASN H 1 54 ALA H . . 3.690 2.853 2.643 2.962 . 0 0 "[ . 1 . 2]" 1
225 1 122 ASN HA 1 124 ASP H . . 4.520 3.979 2.989 4.721 0.201 19 0 "[ . 1 . 2]" 1
226 1 47 ASP H 1 48 ASN HA . . 5.410 4.954 4.092 5.639 0.229 9 0 "[ . 1 . 2]" 1
227 1 98 VAL H 1 98 VAL MG1 . . 4.000 2.397 1.879 3.896 . 0 0 "[ . 1 . 2]" 1
228 1 109 VAL HB 1 110 TYR H . . 4.160 2.885 1.925 4.225 0.065 2 0 "[ . 1 . 2]" 1
229 1 101 SER H 1 142 VAL HA . . 4.160 2.573 2.346 2.781 . 0 0 "[ . 1 . 2]" 1
230 1 102 ASP HA 1 141 TYR H . . 5.090 3.692 3.403 3.927 . 0 0 "[ . 1 . 2]" 1
231 1 141 TYR H 1 142 VAL HA . . 5.500 4.589 4.513 4.745 . 0 0 "[ . 1 . 2]" 1
232 1 139 ALA MB 1 141 TYR H . . 3.560 3.331 2.876 3.583 0.023 18 0 "[ . 1 . 2]" 1
233 1 100 HIS HA 1 143 ARG H . . 4.130 3.276 3.089 3.534 . 0 0 "[ . 1 . 2]" 1
234 1 68 VAL H 1 144 VAL H . . 5.500 4.725 4.333 4.982 . 0 0 "[ . 1 . 2]" 1
235 1 67 GLN HA 1 144 VAL H . . 4.500 3.019 2.812 3.248 . 0 0 "[ . 1 . 2]" 1
236 1 144 VAL MG2 1 145 LEU H . . 4.040 3.992 3.165 4.198 0.158 15 0 "[ . 1 . 2]" 1
237 1 147 VAL H 1 148 SER H . . 3.240 2.027 1.864 2.173 . 0 0 "[ . 1 . 2]" 1
238 1 147 VAL HB 1 148 SER H . . 3.380 2.604 2.384 3.449 0.069 10 0 "[ . 1 . 2]" 1
239 1 147 VAL MG1 1 148 SER H . . 3.900 3.470 3.282 3.957 0.057 10 0 "[ . 1 . 2]" 1
240 1 55 TRP H 1 154 THR HA . . 5.500 5.081 4.778 5.226 . 0 0 "[ . 1 . 2]" 1
241 1 81 THR HG1 1 82 GLN H . . 4.530 3.217 1.931 4.479 . 0 0 "[ . 1 . 2]" 1
242 1 23 MET HA 1 69 ASP H . . 4.430 3.632 2.900 3.862 . 0 0 "[ . 1 . 2]" 1
243 1 68 VAL HB 1 69 ASP H . . 4.130 4.160 4.109 4.203 0.073 12 0 "[ . 1 . 2]" 1
244 1 113 GLN H 1 113 GLN HG3 . . 5.120 3.466 1.964 4.622 . 0 0 "[ . 1 . 2]" 1
245 1 62 ALA H 1 149 TRP HZ3 . . 5.220 3.491 3.063 4.318 . 0 0 "[ . 1 . 2]" 1
246 1 127 SER HB3 1 128 HIS H . . 5.130 3.670 3.066 4.654 . 0 0 "[ . 1 . 2]" 1
247 1 84 ALA H 1 85 ARG H . . 4.410 4.430 4.384 4.478 0.068 16 0 "[ . 1 . 2]" 1
248 1 85 ARG H 1 90 ILE HA . . 5.120 4.757 4.474 5.126 0.006 16 0 "[ . 1 . 2]" 1
249 1 149 TRP H 1 150 HIS H . . 4.430 4.450 4.365 4.508 0.078 6 0 "[ . 1 . 2]" 1
250 1 120 GLN H 1 121 GLY H . . 4.620 4.533 4.422 4.623 0.003 14 0 "[ . 1 . 2]" 1
251 1 135 LYS H 1 135 LYS HG3 . . 4.620 4.195 3.364 4.626 0.006 6 0 "[ . 1 . 2]" 1
252 1 133 PHE HA 1 135 LYS H . . 4.660 3.706 3.048 4.920 0.260 2 0 "[ . 1 . 2]" 1
253 1 122 ASN H 1 123 LEU H . . 4.520 4.071 2.568 4.638 0.118 2 0 "[ . 1 . 2]" 1
254 1 120 GLN H 1 120 GLN HG3 . . 4.820 3.160 1.948 4.831 0.011 8 0 "[ . 1 . 2]" 1
255 1 88 GLY H 1 89 HIS HA . . 5.270 5.073 4.431 5.298 0.028 16 0 "[ . 1 . 2]" 1
256 1 44 GLY H 1 54 ALA MB . . 5.500 4.924 4.228 5.446 . 0 0 "[ . 1 . 2]" 1
257 1 65 TRP H 1 66 LEU H . . 5.110 4.280 4.165 4.371 . 0 0 "[ . 1 . 2]" 1
258 1 83 GLY H 1 125 ASN HA . . 4.780 2.551 2.189 3.655 . 0 0 "[ . 1 . 2]" 1
259 1 82 GLN HB3 1 83 GLY H . . 4.990 3.472 2.361 4.251 . 0 0 "[ . 1 . 2]" 1
260 1 160 LEU HB3 1 161 GLY H . . 3.840 2.844 2.658 2.925 . 0 0 "[ . 1 . 2]" 1
261 1 75 GLN H 1 163 LEU HA . . 4.910 4.734 4.241 4.946 0.036 10 0 "[ . 1 . 2]" 1
262 1 75 GLN H 1 75 GLN HB3 . . 3.110 2.271 2.161 2.350 . 0 0 "[ . 1 . 2]" 1
263 1 74 ARG HB3 1 75 GLN H . . 4.740 2.874 2.445 3.114 . 0 0 "[ . 1 . 2]" 1
264 1 76 VAL H 1 77 THR H . . 4.870 4.575 4.541 4.598 . 0 0 "[ . 1 . 2]" 1
265 1 85 ARG HA 1 91 GLN H . . 3.750 2.129 1.930 2.461 . 0 0 "[ . 1 . 2]" 1
266 1 90 ILE MG 1 91 GLN H . . 3.820 2.557 2.244 2.823 . 0 0 "[ . 1 . 2]" 1
267 1 91 GLN H 1 154 THR MG . . 5.500 5.212 4.412 5.453 . 0 0 "[ . 1 . 2]" 1
268 1 91 GLN H 1 154 THR HG1 . . 5.500 5.099 4.711 5.430 . 0 0 "[ . 1 . 2]" 1
269 1 45 ARG HA 1 46 LEU H . . 3.490 2.769 2.228 3.570 0.080 18 0 "[ . 1 . 2]" 1
270 1 46 LEU H 1 46 LEU HB3 . . 4.080 2.811 2.271 3.231 . 0 0 "[ . 1 . 2]" 1
271 1 29 TYR H 1 56 THR H . . 4.270 3.919 3.672 4.234 . 0 0 "[ . 1 . 2]" 1
272 1 72 THR H 1 140 ARG HA . . 4.200 3.554 3.174 3.931 . 0 0 "[ . 1 . 2]" 1
273 1 72 THR H 1 72 THR HB . . 3.690 2.865 2.557 3.009 . 0 0 "[ . 1 . 2]" 1
274 1 15 ASN HB3 1 16 ASN HD21 . . 3.670 3.341 2.212 3.667 . 0 0 "[ . 1 . 2]" 1
275 1 15 ASN H 1 16 ASN HD21 . . 4.870 3.215 2.015 3.479 . 0 0 "[ . 1 . 2]" 1
276 1 113 GLN H 1 115 SER H . . 4.650 3.110 2.346 4.177 . 0 0 "[ . 1 . 2]" 1
277 1 113 GLN HG3 1 115 SER H . . 4.350 3.201 1.952 4.544 0.194 7 0 "[ . 1 . 2]" 1
278 1 66 LEU H 1 145 LEU HA . . 4.650 3.377 3.102 3.569 . 0 0 "[ . 1 . 2]" 1
279 1 65 TRP HB3 1 66 LEU H . . 4.020 3.910 3.719 4.145 0.125 14 0 "[ . 1 . 2]" 1
280 1 66 LEU H 1 66 LEU HB3 . . 4.110 2.532 2.425 2.908 . 0 0 "[ . 1 . 2]" 1
281 1 43 LEU H 1 43 LEU MD1 . . 3.920 3.157 2.240 3.692 . 0 0 "[ . 1 . 2]" 1
282 1 57 ALA H 1 58 GLN H . . 4.830 4.575 4.459 4.602 . 0 0 "[ . 1 . 2]" 1
283 1 57 ALA H 1 153 ILE MD . . 4.510 4.165 3.926 4.747 0.237 5 0 "[ . 1 . 2]" 1
284 1 138 MET H 1 138 MET HB3 . . 4.160 2.899 2.617 3.603 . 0 0 "[ . 1 . 2]" 1
285 1 28 SER HA 1 58 GLN H . . 3.690 3.471 2.582 3.738 0.048 4 0 "[ . 1 . 2]" 1
286 1 155 LEU H 1 156 ARG H . . 4.980 4.353 4.297 4.376 . 0 0 "[ . 1 . 2]" 1
287 1 23 MET HG3 1 24 SER H . . 5.380 4.141 3.148 5.296 . 0 0 "[ . 1 . 2]" 1
288 1 68 VAL H 1 69 ASP H . . 4.510 4.269 3.931 4.397 . 0 0 "[ . 1 . 2]" 1
289 1 142 VAL H 1 143 ARG H . . 4.890 4.488 4.436 4.522 . 0 0 "[ . 1 . 2]" 1
290 1 69 ASP HA 1 142 VAL H . . 5.370 3.744 3.314 3.944 . 0 0 "[ . 1 . 2]" 1
291 1 141 TYR HB3 1 142 VAL H . . 4.510 4.296 3.503 4.512 0.002 9 0 "[ . 1 . 2]" 1
292 1 149 TRP HB3 1 150 HIS H . . 3.840 3.663 3.536 3.877 0.037 7 0 "[ . 1 . 2]" 1
293 1 93 VAL HA 1 150 HIS H . . 4.180 2.531 1.939 2.872 . 0 0 "[ . 1 . 2]" 1
294 1 92 TYR H 1 150 HIS H . . 4.000 3.403 3.171 3.803 . 0 0 "[ . 1 . 2]" 1
295 1 105 VAL MG2 1 106 GLN H . . 3.970 2.925 1.918 3.764 . 0 0 "[ . 1 . 2]" 1
296 1 114 GLY H 1 115 SER HA . . 5.260 4.820 4.351 5.259 . 0 0 "[ . 1 . 2]" 1
297 1 60 ASN HA 1 60 ASN HD21 . . 4.680 4.110 3.851 4.441 . 0 0 "[ . 1 . 2]" 1
298 1 59 SER HA 1 60 ASN HD22 . . 3.950 3.746 3.470 3.955 0.005 18 0 "[ . 1 . 2]" 1
299 1 95 SER H 1 148 SER H . . 3.680 3.056 2.654 3.417 . 0 0 "[ . 1 . 2]" 1
300 1 77 THR H 1 161 GLY HA2 . . 4.060 1.903 1.831 1.949 . 0 0 "[ . 1 . 2]" 1
301 1 51 LYS H 1 51 LYS HG3 . . 4.580 4.138 2.730 4.563 . 0 0 "[ . 1 . 2]" 1
302 1 153 ILE H 1 154 THR H . . 4.350 4.100 3.929 4.239 . 0 0 "[ . 1 . 2]" 1
303 1 154 THR H 1 154 THR HB . . 3.630 3.126 3.018 3.226 . 0 0 "[ . 1 . 2]" 1
304 1 154 THR H 1 155 LEU HA . . 4.930 5.076 4.880 5.178 0.248 9 0 "[ . 1 . 2]" 1
305 1 57 ALA MB 1 153 ILE H . . 3.690 3.512 3.105 3.712 0.022 15 0 "[ . 1 . 2]" 1
306 1 92 TYR H 1 152 ARG H . . 4.110 2.979 2.753 3.125 . 0 0 "[ . 1 . 2]" 1
307 1 94 ALA HA 1 122 ASN H . . 3.740 3.370 1.938 3.851 0.111 5 0 "[ . 1 . 2]" 1
308 1 122 ASN H 1 124 ASP H . . 5.270 4.805 4.213 5.501 0.231 5 0 "[ . 1 . 2]" 1
309 1 91 GLN HA 1 152 ARG H . . 5.070 3.390 3.083 3.936 . 0 0 "[ . 1 . 2]" 1
310 1 162 CYS HB3 1 164 GLU H . . 4.440 2.730 2.410 4.089 . 0 0 "[ . 1 . 2]" 1
311 1 95 SER H 1 120 GLN HA . . 4.960 4.202 3.512 4.713 . 0 0 "[ . 1 . 2]" 1
312 1 76 VAL HA 1 161 GLY H . . 4.400 4.317 4.034 4.459 0.059 19 0 "[ . 1 . 2]" 1
313 1 12 GLY H 1 13 LEU MD1 . . 5.080 3.978 3.326 4.733 . 0 0 "[ . 1 . 2]" 1
314 1 12 GLY H 1 13 LEU MD2 . . 5.080 3.895 3.050 5.032 . 0 0 "[ . 1 . 2]" 1
315 1 37 PHE HB3 1 38 GLY H . . 5.110 3.732 2.441 4.654 . 0 0 "[ . 1 . 2]" 1
316 1 44 GLY H 1 55 TRP HB3 . . 5.500 5.103 4.338 5.541 0.041 7 0 "[ . 1 . 2]" 1
317 1 20 ASP HA 1 21 SER H . . 3.540 2.911 2.647 3.399 . 0 0 "[ . 1 . 2]" 1
318 1 70 LEU MD1 1 71 GLY H . . 5.300 3.972 3.525 4.392 . 0 0 "[ . 1 . 2]" 1
319 1 70 LEU MD2 1 71 GLY H . . 5.300 4.046 3.073 4.437 . 0 0 "[ . 1 . 2]" 1
320 1 14 LYS HB3 1 15 ASN H . . 3.760 2.323 1.945 2.750 . 0 0 "[ . 1 . 2]" 1
321 1 123 LEU HB3 1 124 ASP H . . 4.560 4.353 3.579 4.526 . 0 0 "[ . 1 . 2]" 1
322 1 100 HIS H 1 108 THR HB . . 3.630 3.015 2.393 3.333 . 0 0 "[ . 1 . 2]" 1
323 1 134 GLU HB3 1 135 LYS H . . 5.060 3.363 1.933 4.499 . 0 0 "[ . 1 . 2]" 1
324 1 77 THR H 1 162 CYS H . . 4.300 3.991 3.636 4.213 . 0 0 "[ . 1 . 2]" 1
325 1 161 GLY H 1 162 CYS H . . 4.730 4.429 4.372 4.480 . 0 0 "[ . 1 . 2]" 1
326 1 60 ASN HD21 1 61 SER H . . 5.500 5.243 5.043 5.504 0.004 18 0 "[ . 1 . 2]" 1
327 1 63 LYS H 1 149 TRP HZ3 . . 5.500 5.233 4.955 5.517 0.017 15 0 "[ . 1 . 2]" 1
328 1 152 ARG H 1 153 ILE H . . 4.980 4.187 4.023 4.293 . 0 0 "[ . 1 . 2]" 1
329 1 76 VAL H 1 138 MET H . . 5.170 4.765 4.431 4.975 . 0 0 "[ . 1 . 2]" 1
330 1 73 GLN H 1 140 ARG H . . 5.500 5.317 4.974 5.578 0.078 6 0 "[ . 1 . 2]" 1
331 1 139 ALA MB 1 140 ARG H . . 3.590 2.783 2.517 2.852 . 0 0 "[ . 1 . 2]" 1
332 1 149 TRP H 1 149 TRP HZ3 . . 5.500 4.078 3.979 4.468 . 0 0 "[ . 1 . 2]" 1
333 1 43 LEU H 1 55 TRP HB3 . . 4.720 4.502 3.864 4.769 0.049 8 0 "[ . 1 . 2]" 1
334 1 43 LEU H 1 43 LEU MD2 . . 3.920 2.804 1.946 3.994 0.074 16 0 "[ . 1 . 2]" 1
335 1 46 LEU HA 1 48 ASN H . . 4.530 4.067 3.262 4.715 0.185 19 0 "[ . 1 . 2]" 1
336 1 98 VAL H 1 98 VAL MG2 . . 4.000 3.509 2.297 3.834 . 0 0 "[ . 1 . 2]" 1
337 1 107 TRP HB3 1 108 THR H . . 3.980 3.789 3.526 3.983 0.003 17 0 "[ . 1 . 2]" 1
338 1 11 LEU H 1 13 LEU H . . 4.730 3.279 2.539 3.779 . 0 0 "[ . 1 . 2]" 1
339 1 9 GLU H 1 160 LEU HB3 . . 4.190 3.061 2.615 3.356 . 0 0 "[ . 1 . 2]" 1
340 1 81 THR MG 1 129 LYS H . . 4.560 3.281 2.616 4.593 0.033 5 0 "[ . 1 . 2]" 1
341 1 85 ARG HB3 1 86 ASP H . . 4.030 3.880 3.544 4.058 0.028 14 0 "[ . 1 . 2]" 1
342 1 43 LEU HA 1 53 ASN H . . 5.490 4.906 4.030 5.532 0.042 19 0 "[ . 1 . 2]" 1
343 1 154 THR HA 1 155 LEU H . . 3.150 2.186 2.157 2.225 . 0 0 "[ . 1 . 2]" 1
344 1 56 THR HA 1 155 LEU H . . 4.430 3.508 3.273 3.654 . 0 0 "[ . 1 . 2]" 1
345 1 154 THR HB 1 155 LEU H . . 4.510 4.185 4.090 4.273 . 0 0 "[ . 1 . 2]" 1
346 1 55 TRP HB3 1 155 LEU H . . 5.500 4.326 4.043 4.706 . 0 0 "[ . 1 . 2]" 1
347 1 56 THR MG 1 155 LEU H . . 4.780 4.362 4.060 4.571 . 0 0 "[ . 1 . 2]" 1
348 1 48 ASN HA 1 53 ASN H . . 5.500 5.321 4.481 5.621 0.121 6 0 "[ . 1 . 2]" 1
349 1 74 ARG H 1 138 MET HA . . 4.570 4.396 4.048 4.667 0.097 17 0 "[ . 1 . 2]" 1
350 1 74 ARG H 1 140 ARG HA . . 4.840 3.757 3.416 3.963 . 0 0 "[ . 1 . 2]" 1
351 1 79 ILE H 1 131 ASN H . . 4.180 3.207 2.251 3.775 . 0 0 "[ . 1 . 2]" 1
352 1 139 ALA H 1 140 ARG H . . 4.690 4.338 4.236 4.512 . 0 0 "[ . 1 . 2]" 1
353 1 56 THR H 1 56 THR HG1 . . 4.050 2.563 1.971 3.689 . 0 0 "[ . 1 . 2]" 1
354 1 46 LEU H 1 46 LEU HG . . 4.650 4.255 1.943 4.609 . 0 0 "[ . 1 . 2]" 1
355 1 56 THR H 1 154 THR MG . . 4.530 3.790 3.410 4.446 . 0 0 "[ . 1 . 2]" 1
356 1 52 ILE MG 1 56 THR H . . 4.910 4.162 3.693 4.536 . 0 0 "[ . 1 . 2]" 1
357 1 74 ARG HA 1 74 ARG HE . . 4.970 4.223 3.344 4.743 . 0 0 "[ . 1 . 2]" 1
358 1 74 ARG HE 1 74 ARG HG3 . . 3.810 2.826 2.148 3.747 . 0 0 "[ . 1 . 2]" 1
359 1 102 ASP H 1 106 GLN H . . 5.250 4.590 4.105 4.946 . 0 0 "[ . 1 . 2]" 1
360 1 158 GLU H 1 159 LEU H . . 5.430 4.502 4.399 4.617 . 0 0 "[ . 1 . 2]" 1
361 1 142 VAL HB 1 143 ARG H . . 4.530 2.800 2.671 2.964 . 0 0 "[ . 1 . 2]" 1
362 1 144 VAL HB 1 145 LEU H . . 4.220 3.443 2.601 4.004 . 0 0 "[ . 1 . 2]" 1
363 1 97 LYS HA 1 145 LEU H . . 5.420 4.532 4.270 4.758 . 0 0 "[ . 1 . 2]" 1
364 1 119 PHE H 1 120 GLN H . . 4.600 4.404 4.208 4.629 0.029 12 0 "[ . 1 . 2]" 1
365 1 106 GLN HA 1 107 TRP HE1 . . 5.500 5.466 5.063 5.563 0.063 18 0 "[ . 1 . 2]" 1
366 1 107 TRP HA 1 107 TRP HE1 . . 5.500 4.975 4.926 5.071 . 0 0 "[ . 1 . 2]" 1
367 1 105 VAL HB 1 107 TRP HE1 . . 5.130 5.108 4.939 5.211 0.081 18 0 "[ . 1 . 2]" 1
368 1 105 VAL H 1 107 TRP HE1 . . 5.500 4.705 4.374 5.422 . 0 0 "[ . 1 . 2]" 1
369 1 65 TRP H 1 65 TRP HE1 . . 4.920 4.670 4.376 4.936 0.016 17 0 "[ . 1 . 2]" 1
370 1 79 ILE HA 1 160 LEU H . . 4.130 2.723 2.477 2.991 . 0 0 "[ . 1 . 2]" 1
371 1 159 LEU H 1 160 LEU H . . 4.640 4.474 4.446 4.507 . 0 0 "[ . 1 . 2]" 1
372 1 26 SER HA 1 65 TRP HE1 . . 4.700 3.312 2.692 3.803 . 0 0 "[ . 1 . 2]" 1
373 1 154 THR H 1 154 THR HG1 . . 4.250 2.560 2.321 2.850 . 0 0 "[ . 1 . 2]" 1
374 1 154 THR H 1 155 LEU H . . 5.140 3.892 3.778 4.023 . 0 0 "[ . 1 . 2]" 1
375 1 56 THR MG 1 152 ARG H . . 5.500 5.760 5.681 5.842 0.342 6 0 "[ . 1 . 2]" 1
376 1 55 TRP HE1 1 57 ALA HA . . 5.030 3.921 3.142 4.536 . 0 0 "[ . 1 . 2]" 1
377 1 57 ALA HA 1 59 SER H . . 4.720 4.587 3.779 4.831 0.111 1 0 "[ . 1 . 2]" 1
378 1 13 LEU H 1 18 ILE H . . 5.500 4.932 4.268 5.218 . 0 0 "[ . 1 . 2]" 1
379 1 27 SER H 1 28 SER H . . 4.490 4.164 1.822 4.363 . 0 0 "[ . 1 . 2]" 1
380 1 28 SER H 1 58 GLN HA . . 4.990 4.690 4.317 4.999 0.009 10 0 "[ . 1 . 2]" 1
381 1 57 ALA MB 1 61 SER H . . 4.360 3.419 2.803 4.686 0.326 15 0 "[ . 1 . 2]" 1
382 1 61 SER H 1 64 GLU H . . 4.430 3.975 3.320 4.431 0.001 13 0 "[ . 1 . 2]" 1
383 1 70 LEU HG 1 72 THR H . . 4.460 4.016 2.569 4.726 0.266 15 0 "[ . 1 . 2]" 1
384 1 84 ALA H 1 125 ASN HA . . 4.220 4.149 3.566 4.295 0.075 18 0 "[ . 1 . 2]" 1
385 1 91 GLN H 1 125 ASN HB3 . . 5.500 3.975 3.260 5.311 . 0 0 "[ . 1 . 2]" 1
386 1 91 GLN H 1 91 GLN HB3 . . 4.030 3.779 3.623 3.824 . 0 0 "[ . 1 . 2]" 1
387 1 90 ILE HB 1 91 GLN H . . 4.390 4.169 4.029 4.333 . 0 0 "[ . 1 . 2]" 1
388 1 91 GLN HG3 1 92 TYR H . . 5.500 4.733 3.918 5.169 . 0 0 "[ . 1 . 2]" 1
389 1 92 TYR H 1 154 THR HG1 . . 4.480 4.403 4.161 4.503 0.023 17 0 "[ . 1 . 2]" 1
390 1 29 TYR H 1 29 TYR HB3 . . 3.820 2.405 2.279 2.633 . 0 0 "[ . 1 . 2]" 1
391 1 29 TYR H 1 56 THR HB . . 4.340 2.482 2.233 2.738 . 0 0 "[ . 1 . 2]" 1
392 1 97 LYS H 1 118 VAL MG2 . . 5.060 4.974 4.665 5.243 0.183 8 0 "[ . 1 . 2]" 1
393 1 100 HIS H 1 142 VAL HA . . 4.940 4.800 4.631 4.925 . 0 0 "[ . 1 . 2]" 1
394 1 105 VAL HA 1 107 TRP HE1 . . 3.330 2.818 2.681 3.177 . 0 0 "[ . 1 . 2]" 1
395 1 136 PRO HD3 1 137 PHE H . . 5.500 5.561 5.519 5.594 0.094 3 0 "[ . 1 . 2]" 1
396 1 156 ARG HA 1 157 LEU H . . 3.330 2.166 2.141 2.222 . 0 0 "[ . 1 . 2]" 1
397 1 12 GLY HA3 1 18 ILE H . . 4.480 2.094 1.872 2.653 . 0 0 "[ . 1 . 2]" 1
398 1 17 THR MG 1 18 ILE H . . 4.630 4.204 3.729 4.369 . 0 0 "[ . 1 . 2]" 1
399 1 17 THR HG1 1 18 ILE H . . 5.260 4.735 4.274 5.271 0.011 20 0 "[ . 1 . 2]" 1
400 1 43 LEU H 1 45 ARG H . . 4.000 3.961 3.722 4.176 0.176 3 0 "[ . 1 . 2]" 1
401 1 44 GLY H 1 45 ARG HB3 . . 5.230 4.981 4.596 5.396 0.166 13 0 "[ . 1 . 2]" 1
402 1 81 THR H 1 82 GLN H . . 4.910 4.438 4.342 4.474 . 0 0 "[ . 1 . 2]" 1
403 1 88 GLY H 1 89 HIS H . . 4.270 3.026 1.743 3.573 . 0 0 "[ . 1 . 2]" 1
404 1 28 SER HA 1 29 TYR H . . 3.350 2.422 2.302 2.537 . 0 0 "[ . 1 . 2]" 1
405 1 110 TYR H 1 110 TYR QD . . 4.070 3.183 2.204 3.988 . 0 0 "[ . 1 . 2]" 1
406 1 110 TYR QD 1 111 GLU H . . 4.570 4.379 3.828 4.659 0.089 2 0 "[ . 1 . 2]" 1
407 1 94 ALA HA 1 121 GLY H . . 4.500 2.506 2.058 3.265 . 0 0 "[ . 1 . 2]" 1
408 1 123 LEU HG 1 124 ASP H . . 4.960 4.651 3.992 5.010 0.050 8 0 "[ . 1 . 2]" 1
409 1 128 HIS HD1 1 129 LYS H . . 4.850 4.560 2.349 5.069 0.219 6 0 "[ . 1 . 2]" 1
410 1 128 HIS HD2 1 129 LYS H . . 5.330 5.055 3.997 5.392 0.062 9 0 "[ . 1 . 2]" 1
411 1 136 PRO HB3 1 137 PHE H . . 4.370 3.654 3.411 4.127 . 0 0 "[ . 1 . 2]" 1
412 1 73 GLN HA 1 139 ALA H . . 4.120 3.439 3.172 3.976 . 0 0 "[ . 1 . 2]" 1
413 1 144 VAL HA 1 145 LEU H . . 3.180 2.234 2.181 2.320 . 0 0 "[ . 1 . 2]" 1
414 1 148 SER H 1 149 TRP HZ3 . . 5.030 5.039 4.756 5.087 0.057 17 0 "[ . 1 . 2]" 1
415 1 154 THR MG 1 155 LEU H . . 3.490 3.247 3.099 3.425 . 0 0 "[ . 1 . 2]" 1
416 1 161 GLY HA2 1 163 LEU H . . 4.260 4.198 3.952 4.326 0.066 13 0 "[ . 1 . 2]" 1
417 1 12 GLY HA2 1 18 ILE H . . 4.480 2.397 1.965 3.612 . 0 0 "[ . 1 . 2]" 1
418 1 25 ALA H 1 26 SER H . . 4.460 4.480 4.402 4.516 0.056 8 0 "[ . 1 . 2]" 1
419 1 28 SER H 1 55 TRP HE1 . . 5.460 4.746 3.556 5.479 0.019 8 0 "[ . 1 . 2]" 1
420 1 25 ALA MB 1 28 SER H . . 5.500 5.057 2.931 5.621 0.121 20 0 "[ . 1 . 2]" 1
421 1 28 SER H 1 29 TYR H . . 5.110 4.500 4.433 4.557 . 0 0 "[ . 1 . 2]" 1
422 1 29 TYR H 1 58 GLN H . . 5.460 4.534 3.914 4.867 . 0 0 "[ . 1 . 2]" 1
423 1 29 TYR H 1 56 THR MG . . 4.770 3.796 3.338 4.012 . 0 0 "[ . 1 . 2]" 1
424 1 29 TYR H 1 56 THR HG1 . . 4.980 4.184 3.822 4.931 . 0 0 "[ . 1 . 2]" 1
425 1 28 SER HB3 1 29 TYR H . . 4.270 3.377 2.258 4.033 . 0 0 "[ . 1 . 2]" 1
426 1 29 TYR H 1 30 LYS H . . 4.820 3.914 2.669 4.645 . 0 0 "[ . 1 . 2]" 1
427 1 29 TYR HA 1 30 LYS H . . 3.430 2.748 2.161 3.555 0.125 2 0 "[ . 1 . 2]" 1
428 1 29 TYR HB3 1 30 LYS H . . 4.220 3.637 2.034 4.226 0.006 7 0 "[ . 1 . 2]" 1
429 1 57 ALA H 1 152 ARG HD3 . . 5.500 4.685 3.413 5.533 0.033 12 0 "[ . 1 . 2]" 1
430 1 58 GLN H 1 59 SER H . . 3.470 2.439 2.041 2.814 . 0 0 "[ . 1 . 2]" 1
431 1 59 SER H 1 60 ASN H . . 4.320 2.538 1.909 4.250 . 0 0 "[ . 1 . 2]" 1
432 1 62 ALA HA 1 64 GLU H . . 4.370 3.545 3.238 4.136 . 0 0 "[ . 1 . 2]" 1
433 1 66 LEU H 1 143 ARG HA . . 5.500 5.457 5.258 5.582 0.082 12 0 "[ . 1 . 2]" 1
434 1 71 GLY H 1 141 TYR HA . . 5.190 4.397 4.192 4.536 . 0 0 "[ . 1 . 2]" 1
435 1 77 THR H 1 78 GLY HA2 . . 4.960 4.686 4.558 4.794 . 0 0 "[ . 1 . 2]" 1
436 1 91 GLN H 1 154 THR HB . . 5.190 4.524 4.024 4.743 . 0 0 "[ . 1 . 2]" 1
437 1 95 SER HA 1 96 TYR H . . 3.490 2.152 2.138 2.230 . 0 0 "[ . 1 . 2]" 1
438 1 79 ILE H 1 79 ILE MG . . 3.530 3.129 2.745 3.496 . 0 0 "[ . 1 . 2]" 1
439 1 100 HIS H 1 101 SER H . . 4.680 4.456 4.418 4.487 . 0 0 "[ . 1 . 2]" 1
440 1 101 SER H 1 140 ARG H . . 5.260 4.169 3.990 4.313 . 0 0 "[ . 1 . 2]" 1
441 1 107 TRP HB3 1 107 TRP HE1 . . 5.040 5.002 4.973 5.023 . 0 0 "[ . 1 . 2]" 1
442 1 107 TRP HD1 1 108 THR H . . 4.610 4.582 4.504 4.723 0.113 18 0 "[ . 1 . 2]" 1
443 1 98 VAL H 1 119 PHE H . . 5.040 4.028 3.191 4.724 . 0 0 "[ . 1 . 2]" 1
444 1 76 VAL HA 1 161 GLY HA2 . . 4.230 2.056 1.978 2.242 . 0 0 "[ . 1 . 2]" 1
445 1 23 MET HA 1 68 VAL HA . . 4.020 2.318 2.138 2.475 . 0 0 "[ . 1 . 2]" 1
446 1 68 VAL HA 1 68 VAL MG1 . . 3.300 2.272 1.977 2.404 . 0 0 "[ . 1 . 2]" 1
447 1 77 THR HA 1 77 THR MG . . 3.490 2.018 1.937 2.136 . 0 0 "[ . 1 . 2]" 1
448 1 65 TRP HA 1 145 LEU HA . . 3.960 2.538 2.274 2.743 . 0 0 "[ . 1 . 2]" 1
449 1 106 GLN HA 1 106 GLN HB3 . . 2.830 2.427 2.377 2.473 . 0 0 "[ . 1 . 2]" 1
450 1 81 THR HA 1 157 LEU HA . . 4.130 2.579 1.988 2.855 . 0 0 "[ . 1 . 2]" 1
451 1 99 ALA HA 1 109 VAL HA . . 3.590 2.351 1.995 3.195 . 0 0 "[ . 1 . 2]" 1
452 1 79 ILE HA 1 159 LEU HA . . 4.460 2.420 1.947 2.735 . 0 0 "[ . 1 . 2]" 1
453 1 100 HIS HB3 1 142 VAL HA . . 5.500 4.289 4.110 4.542 . 0 0 "[ . 1 . 2]" 1
454 1 83 GLY HA2 1 92 TYR HA . . 4.540 3.657 3.107 4.206 . 0 0 "[ . 1 . 2]" 1
455 1 98 VAL HA 1 144 VAL HA . . 4.470 2.581 1.982 3.114 . 0 0 "[ . 1 . 2]" 1
456 1 81 THR HB 1 82 GLN H . . 4.120 3.945 3.709 4.131 0.011 13 0 "[ . 1 . 2]" 1
457 1 56 THR HB 1 57 ALA H . . 4.230 3.140 2.978 3.457 . 0 0 "[ . 1 . 2]" 1
458 1 7 CYS HA 1 162 CYS HA . . 3.200 2.266 1.962 3.178 . 0 0 "[ . 1 . 2]" 1
459 1 8 SER HB3 1 160 LEU HB3 . . 4.730 3.878 3.285 4.544 . 0 0 "[ . 1 . 2]" 1
460 1 25 ALA HA 1 66 LEU HA . . 3.820 2.075 1.954 2.434 . 0 0 "[ . 1 . 2]" 1
461 1 20 ASP HA 1 42 HIS HB3 . . 4.050 3.035 2.409 4.026 . 0 0 "[ . 1 . 2]" 1
462 1 81 THR HA 1 82 GLN HA . . 5.230 4.462 4.399 4.526 . 0 0 "[ . 1 . 2]" 1
463 1 24 SER HA 1 41 PRO HB3 . . 4.500 3.789 3.381 4.306 . 0 0 "[ . 1 . 2]" 1
464 1 42 HIS HA 1 42 HIS HD2 . . 4.760 3.456 2.133 4.638 . 0 0 "[ . 1 . 2]" 1
465 1 52 ILE MG 1 53 ASN HA . . 5.270 4.285 3.648 4.733 . 0 0 "[ . 1 . 2]" 1
466 1 48 ASN HA 1 53 ASN HA . . 4.880 4.622 3.971 4.935 0.055 20 0 "[ . 1 . 2]" 1
467 1 43 LEU HA 1 53 ASN HA . . 5.130 4.080 3.637 5.030 . 0 0 "[ . 1 . 2]" 1
468 1 92 TYR HA 1 154 THR HB . . 4.380 4.257 3.752 4.446 0.066 18 0 "[ . 1 . 2]" 1
469 1 28 SER HA 1 57 ALA HA . . 3.640 2.907 2.325 3.135 . 0 0 "[ . 1 . 2]" 1
470 1 25 ALA MB 1 66 LEU HA . . 2.810 2.014 1.937 2.325 . 0 0 "[ . 1 . 2]" 1
471 1 25 ALA HA 1 67 GLN HA . . 5.500 5.388 5.159 5.552 0.052 6 0 "[ . 1 . 2]" 1
472 1 85 ARG HA 1 90 ILE HA . . 3.620 2.333 1.963 3.206 . 0 0 "[ . 1 . 2]" 1
473 1 101 SER H 1 102 ASP HA . . 5.420 4.785 4.698 4.837 . 0 0 "[ . 1 . 2]" 1
474 1 99 ALA HA 1 108 THR HA . . 5.500 5.278 5.001 5.397 . 0 0 "[ . 1 . 2]" 1
475 1 100 HIS H 1 108 THR HA . . 4.800 4.570 4.401 4.696 . 0 0 "[ . 1 . 2]" 1
476 1 99 ALA HA 1 108 THR HB . . 4.990 4.708 4.162 5.005 0.015 12 0 "[ . 1 . 2]" 1
477 1 80 ILE MD 1 128 HIS HB3 . . 4.190 3.577 1.926 4.328 0.138 19 0 "[ . 1 . 2]" 1
478 1 76 VAL HB 1 161 GLY HA2 . . 4.570 3.952 3.783 4.258 . 0 0 "[ . 1 . 2]" 1
479 1 77 THR MG 1 161 GLY HA2 . . 5.030 4.475 4.275 4.643 . 0 0 "[ . 1 . 2]" 1
480 1 76 VAL MG1 1 161 GLY HA2 . . 4.240 3.936 3.732 4.067 . 0 0 "[ . 1 . 2]" 1
481 1 160 LEU HA 1 161 GLY HA2 . . 5.500 4.425 4.400 4.457 . 0 0 "[ . 1 . 2]" 1
482 1 8 SER HA 1 160 LEU HA . . 4.850 4.606 4.137 4.898 0.048 1 0 "[ . 1 . 2]" 1
483 1 160 LEU HA 1 160 LEU MD2 . . 4.080 2.891 2.180 3.647 . 0 0 "[ . 1 . 2]" 1
484 1 156 ARG H 1 157 LEU HA . . 4.790 4.642 4.512 4.834 0.044 6 0 "[ . 1 . 2]" 1
485 1 91 GLN HG3 1 154 THR HB . . 5.500 4.972 3.369 5.541 0.041 20 0 "[ . 1 . 2]" 1
486 1 152 ARG HA 1 152 ARG HG3 . . 3.980 3.246 2.627 3.583 . 0 0 "[ . 1 . 2]" 1
487 1 93 VAL MG1 1 149 TRP HA . . 4.280 2.591 1.996 3.942 . 0 0 "[ . 1 . 2]" 1
488 1 94 ALA MB 1 149 TRP HA . . 4.420 3.226 2.936 4.061 . 0 0 "[ . 1 . 2]" 1
489 1 147 VAL HA 1 148 SER HA . . 4.770 4.545 4.538 4.553 . 0 0 "[ . 1 . 2]" 1
490 1 67 GLN HA 1 143 ARG HA . . 4.680 2.282 2.079 2.605 . 0 0 "[ . 1 . 2]" 1
491 1 69 ASP HA 1 141 TYR HA . . 4.560 2.542 2.119 2.839 . 0 0 "[ . 1 . 2]" 1
492 1 75 GLN HA 1 138 MET HA . . 4.000 1.825 1.765 1.912 . 0 0 "[ . 1 . 2]" 1
493 1 138 MET HA 1 139 ALA HA . . 5.190 4.470 4.393 4.543 . 0 0 "[ . 1 . 2]" 1
494 1 138 MET HA 1 139 ALA MB . . 4.500 3.828 3.755 3.936 . 0 0 "[ . 1 . 2]" 1
495 1 76 VAL MG1 1 138 MET HA . . 4.630 4.282 3.907 4.644 0.014 17 0 "[ . 1 . 2]" 1
496 1 133 PHE HA 1 134 GLU HB3 . . 5.500 5.008 4.441 5.504 0.004 17 0 "[ . 1 . 2]" 1
497 1 79 ILE H 1 132 ILE HA . . 5.460 4.058 2.903 4.721 . 0 0 "[ . 1 . 2]" 1
498 1 78 GLY HA2 1 132 ILE HA . . 4.920 3.552 2.481 4.192 . 0 0 "[ . 1 . 2]" 1
499 1 132 ILE HA 1 132 ILE MD . . 3.820 3.269 2.348 3.911 0.091 8 0 "[ . 1 . 2]" 1
500 1 100 HIS HA 1 142 VAL HA . . 4.400 2.167 2.024 2.335 . 0 0 "[ . 1 . 2]" 1
501 1 100 HIS HA 1 142 VAL MG2 . . 4.810 4.052 3.883 4.322 . 0 0 "[ . 1 . 2]" 1
502 1 100 HIS HA 1 142 VAL MG1 . . 4.980 2.146 1.957 2.525 . 0 0 "[ . 1 . 2]" 1
503 1 100 HIS HA 1 107 TRP HA . . 5.340 5.006 4.835 5.351 0.011 6 0 "[ . 1 . 2]" 1
504 1 142 VAL MG2 1 143 ARG HA . . 4.490 3.618 3.510 3.706 . 0 0 "[ . 1 . 2]" 1
505 1 67 GLN HA 1 142 VAL MG2 . . 5.080 3.870 3.284 4.388 . 0 0 "[ . 1 . 2]" 1
506 1 96 TYR HB3 1 146 PRO HA . . 5.250 3.297 2.120 4.642 . 0 0 "[ . 1 . 2]" 1
507 1 146 PRO HA 1 147 VAL HA . . 5.330 4.412 4.395 4.440 . 0 0 "[ . 1 . 2]" 1
508 1 77 THR HA 1 133 PHE H . . 5.370 5.276 4.222 5.681 0.311 19 0 "[ . 1 . 2]" 1
509 1 77 THR HA 1 133 PHE HB3 . . 4.990 3.129 2.006 4.062 . 0 0 "[ . 1 . 2]" 1
510 1 77 THR HA 1 136 PRO HB3 . . 4.310 2.178 1.941 4.109 . 0 0 "[ . 1 . 2]" 1
511 1 80 ILE HA 1 81 THR HA . . 5.380 4.412 4.396 4.420 . 0 0 "[ . 1 . 2]" 1
512 1 82 GLN HA 1 156 ARG H . . 5.430 4.629 4.453 4.766 . 0 0 "[ . 1 . 2]" 1
513 1 56 THR HA 1 154 THR HA . . 3.320 2.166 2.049 2.473 . 0 0 "[ . 1 . 2]" 1
514 1 57 ALA H 1 154 THR HA . . 5.500 3.978 3.868 4.180 . 0 0 "[ . 1 . 2]" 1
515 1 153 ILE H 1 154 THR HA . . 5.500 5.529 5.385 5.670 0.170 3 0 "[ . 1 . 2]" 1
516 1 80 ILE H 1 81 THR HA . . 5.500 4.727 4.607 4.851 . 0 0 "[ . 1 . 2]" 1
517 1 81 THR HA 1 156 ARG H . . 5.500 4.266 4.039 4.452 . 0 0 "[ . 1 . 2]" 1
518 1 13 LEU HA 1 14 LYS HA . . 4.630 4.503 4.380 4.758 0.128 14 0 "[ . 1 . 2]" 1
519 1 19 PRO HA 1 20 ASP HA . . 4.390 4.404 4.331 4.997 0.607 13 1 "[ . 1 + . 2]" 1
520 1 41 PRO HA 1 43 LEU H . . 4.160 3.922 2.941 4.222 0.062 12 0 "[ . 1 . 2]" 1
521 1 41 PRO HA 1 55 TRP HB3 . . 4.600 4.354 4.093 4.575 . 0 0 "[ . 1 . 2]" 1
522 1 41 PRO HA 1 55 TRP HA . . 4.310 3.851 3.336 4.357 0.047 7 0 "[ . 1 . 2]" 1
523 1 23 MET HG3 1 42 HIS HA . . 5.450 4.732 2.975 5.482 0.032 11 0 "[ . 1 . 2]" 1
524 1 62 ALA MB 1 147 VAL HA . . 3.390 2.507 1.875 2.865 . 0 0 "[ . 1 . 2]" 1
525 1 141 TYR HA 1 142 VAL MG1 . . 4.890 3.410 3.136 3.509 . 0 0 "[ . 1 . 2]" 1
526 1 139 ALA MB 1 142 VAL HA . . 4.990 4.814 4.108 5.102 0.112 18 0 "[ . 1 . 2]" 1
527 1 141 TYR HA 1 142 VAL HA . . 5.500 4.398 4.390 4.439 . 0 0 "[ . 1 . 2]" 1
528 1 84 ALA MB 1 154 THR MG . . 2.620 1.896 1.732 2.223 . 0 0 "[ . 1 . 2]" 1
529 1 44 GLY HA2 1 54 ALA HA . . 4.480 3.572 2.604 4.274 . 0 0 "[ . 1 . 2]" 1
530 1 90 ILE HA 1 90 ILE MG . . 3.640 2.328 2.264 2.381 . 0 0 "[ . 1 . 2]" 1
531 1 90 ILE HA 1 90 ILE MD . . 4.160 3.642 2.013 3.864 . 0 0 "[ . 1 . 2]" 1
532 1 91 GLN HA 1 154 THR HB . . 5.500 5.271 4.879 5.521 0.021 12 0 "[ . 1 . 2]" 1
533 1 83 GLY HA3 1 92 TYR HA . . 4.540 3.367 2.645 4.299 . 0 0 "[ . 1 . 2]" 1
534 1 92 TYR HA 1 154 THR MG . . 5.500 5.478 5.015 5.650 0.150 18 0 "[ . 1 . 2]" 1
535 1 92 TYR HA 1 154 THR HG1 . . 5.500 4.774 4.207 5.225 . 0 0 "[ . 1 . 2]" 1
536 1 92 TYR HA 1 93 VAL HA . . 4.540 4.356 4.349 4.364 . 0 0 "[ . 1 . 2]" 1
537 1 93 VAL HA 1 94 ALA HA . . 5.500 4.398 4.357 4.510 . 0 0 "[ . 1 . 2]" 1
538 1 136 PRO HA 1 137 PHE HA . . 5.500 4.524 4.378 4.608 . 0 0 "[ . 1 . 2]" 1
539 1 10 PRO HA 1 160 LEU HA . . 4.830 3.392 2.170 3.719 . 0 0 "[ . 1 . 2]" 1
540 1 96 TYR HA 1 146 PRO HA . . 4.520 2.065 1.876 2.408 . 0 0 "[ . 1 . 2]" 1
541 1 96 TYR HA 1 145 LEU HA . . 5.500 5.646 5.538 5.797 0.297 18 0 "[ . 1 . 2]" 1
542 1 97 LYS HA 1 118 VAL HA . . 4.740 2.861 2.437 3.389 . 0 0 "[ . 1 . 2]" 1
543 1 98 VAL HA 1 145 LEU H . . 4.730 3.888 3.402 4.381 . 0 0 "[ . 1 . 2]" 1
544 1 93 VAL HA 1 153 ILE HA . . 4.840 4.291 4.090 4.568 . 0 0 "[ . 1 . 2]" 1
545 1 152 ARG HA 1 153 ILE HA . . 5.210 4.326 4.316 4.349 . 0 0 "[ . 1 . 2]" 1
546 1 149 TRP HA 1 153 ILE HA . . 5.500 5.110 4.361 5.443 . 0 0 "[ . 1 . 2]" 1
547 1 56 THR MG 1 152 ARG HA . . 4.810 4.893 4.767 4.981 0.171 14 0 "[ . 1 . 2]" 1
548 1 147 VAL HA 1 147 VAL MG1 . . 3.320 2.326 2.269 2.397 . 0 0 "[ . 1 . 2]" 1
549 1 96 TYR HA 1 147 VAL HA . . 5.500 5.151 4.680 5.478 . 0 0 "[ . 1 . 2]" 1
550 1 142 VAL HB 1 143 ARG HA . . 5.500 4.692 4.641 4.790 . 0 0 "[ . 1 . 2]" 1
551 1 68 VAL HB 1 141 TYR HA . . 5.500 4.466 4.248 5.051 . 0 0 "[ . 1 . 2]" 1
552 1 139 ALA HA 1 141 TYR H . . 4.420 3.910 3.734 4.185 . 0 0 "[ . 1 . 2]" 1
553 1 76 VAL MG2 1 138 MET HA . . 4.980 4.516 4.221 4.804 . 0 0 "[ . 1 . 2]" 1
554 1 81 THR H 1 130 LYS HA . . 5.440 3.763 3.206 4.511 . 0 0 "[ . 1 . 2]" 1
555 1 83 GLY HA2 1 125 ASN HA . . 4.690 3.959 3.626 4.579 . 0 0 "[ . 1 . 2]" 1
556 1 111 GLU HA 1 116 SER HA . . 3.260 2.250 1.948 2.816 . 0 0 "[ . 1 . 2]" 1
557 1 52 ILE HA 1 52 ILE MG . . 3.170 2.304 2.119 2.378 . 0 0 "[ . 1 . 2]" 1
558 1 52 ILE MD 1 52 ILE MG . . 3.190 2.940 2.122 3.070 . 0 0 "[ . 1 . 2]" 1
559 1 43 LEU HA 1 43 LEU MD1 . . 4.090 2.450 1.827 3.998 . 0 0 "[ . 1 . 2]" 1
560 1 52 ILE HA 1 52 ILE HG13 . . 3.970 2.595 2.354 3.749 . 0 0 "[ . 1 . 2]" 1
561 1 52 ILE HB 1 52 ILE MD . . 2.990 2.247 2.022 3.206 0.216 15 0 "[ . 1 . 2]" 1
562 1 52 ILE HA 1 52 ILE MD . . 3.850 3.483 1.953 3.706 . 0 0 "[ . 1 . 2]" 1
563 1 68 VAL HA 1 68 VAL MG2 . . 3.300 2.427 2.295 2.703 . 0 0 "[ . 1 . 2]" 1
564 1 43 LEU HB3 1 52 ILE MG . . 4.930 3.210 2.036 3.979 . 0 0 "[ . 1 . 2]" 1
565 1 76 VAL MG2 1 136 PRO HA . . 4.130 2.878 2.391 3.813 . 0 0 "[ . 1 . 2]" 1
566 1 76 VAL HA 1 76 VAL MG1 . . 3.540 2.372 2.313 2.442 . 0 0 "[ . 1 . 2]" 1
567 1 93 VAL HA 1 93 VAL MG1 . . 3.460 2.296 2.130 2.702 . 0 0 "[ . 1 . 2]" 1
568 1 93 VAL HA 1 93 VAL MG2 . . 3.460 2.634 2.403 3.182 . 0 0 "[ . 1 . 2]" 1
569 1 98 VAL HA 1 98 VAL MG2 . . 3.480 2.375 2.313 2.450 . 0 0 "[ . 1 . 2]" 1
570 1 98 VAL HA 1 98 VAL MG1 . . 3.480 2.961 2.245 3.198 . 0 0 "[ . 1 . 2]" 1
571 1 105 VAL HA 1 105 VAL MG1 . . 3.210 2.778 2.289 3.205 . 0 0 "[ . 1 . 2]" 1
572 1 105 VAL HA 1 105 VAL MG2 . . 3.210 2.751 2.257 3.204 . 0 0 "[ . 1 . 2]" 1
573 1 109 VAL HA 1 109 VAL MG1 . . 3.270 2.347 1.996 2.448 . 0 0 "[ . 1 . 2]" 1
574 1 109 VAL HA 1 109 VAL MG2 . . 3.270 3.147 2.381 3.198 . 0 0 "[ . 1 . 2]" 1
575 1 105 VAL HA 1 107 TRP HD1 . . 4.610 4.274 4.114 4.615 0.005 17 0 "[ . 1 . 2]" 1
576 1 98 VAL HA 1 143 ARG H . . 5.500 5.172 4.671 5.587 0.087 17 0 "[ . 1 . 2]" 1
577 1 98 VAL MG2 1 110 TYR QD . . 4.370 3.794 2.060 4.370 0.000 3 0 "[ . 1 . 2]" 1
578 1 98 VAL MG1 1 110 TYR QD . . 4.370 3.065 1.943 4.487 0.117 18 0 "[ . 1 . 2]" 1
579 1 93 VAL HA 1 149 TRP HB3 . . 4.990 3.090 2.776 3.851 . 0 0 "[ . 1 . 2]" 1
580 1 93 VAL MG2 1 153 ILE MG . . 4.010 2.678 1.941 4.041 0.031 6 0 "[ . 1 . 2]" 1
581 1 93 VAL MG2 1 149 TRP HA . . 4.280 3.709 3.443 4.319 0.039 7 0 "[ . 1 . 2]" 1
582 1 76 VAL MG2 1 77 THR H . . 3.870 3.715 3.462 3.899 0.029 2 0 "[ . 1 . 2]" 1
583 1 75 GLN HA 1 76 VAL MG1 . . 3.830 3.686 3.586 3.782 . 0 0 "[ . 1 . 2]" 1
584 1 51 LYS HA 1 52 ILE MD . . 4.870 4.790 4.088 4.890 0.020 20 0 "[ . 1 . 2]" 1
585 1 118 VAL HA 1 118 VAL MG1 . . 3.330 2.353 2.000 2.514 . 0 0 "[ . 1 . 2]" 1
586 1 118 VAL HA 1 118 VAL MG2 . . 3.330 3.164 2.681 3.201 . 0 0 "[ . 1 . 2]" 1
587 1 97 LYS HD3 1 118 VAL HA . . 5.500 4.365 2.970 5.373 . 0 0 "[ . 1 . 2]" 1
588 1 118 VAL H 1 118 VAL MG2 . . 4.130 2.264 1.919 3.176 . 0 0 "[ . 1 . 2]" 1
589 1 97 LYS H 1 118 VAL MG1 . . 5.060 3.597 2.524 4.480 . 0 0 "[ . 1 . 2]" 1
590 1 118 VAL MG1 1 119 PHE H . . 4.870 3.699 2.429 4.162 . 0 0 "[ . 1 . 2]" 1
591 1 142 VAL HA 1 142 VAL MG2 . . 3.620 3.179 3.173 3.189 . 0 0 "[ . 1 . 2]" 1
592 1 100 HIS HD2 1 142 VAL HA . . 5.250 4.924 4.256 5.219 . 0 0 "[ . 1 . 2]" 1
593 1 99 ALA H 1 142 VAL HA . . 5.500 5.222 4.990 5.347 . 0 0 "[ . 1 . 2]" 1
594 1 141 TYR HA 1 142 VAL HB . . 5.500 5.669 5.606 5.712 0.212 12 0 "[ . 1 . 2]" 1
595 1 142 VAL MG2 1 143 ARG H . . 3.390 3.441 3.390 3.499 0.109 10 0 "[ . 1 . 2]" 1
596 1 144 VAL MG1 1 145 LEU H . . 4.040 2.761 1.977 4.090 0.050 10 0 "[ . 1 . 2]" 1
597 1 96 TYR HA 1 147 VAL MG2 . . 3.790 3.102 2.629 3.249 . 0 0 "[ . 1 . 2]" 1
598 1 147 VAL HA 1 147 VAL MG2 . . 3.320 2.376 2.245 3.190 . 0 0 "[ . 1 . 2]" 1
599 1 147 VAL HA 1 149 TRP HZ3 . . 4.010 3.847 3.014 4.079 0.069 15 0 "[ . 1 . 2]" 1
600 1 62 ALA MB 1 147 VAL MG2 . . 4.140 3.940 2.979 4.213 0.073 17 0 "[ . 1 . 2]" 1
601 1 147 VAL H 1 147 VAL MG2 . . 4.210 2.721 1.909 3.027 . 0 0 "[ . 1 . 2]" 1
602 1 153 ILE HA 1 153 ILE MD . . 3.900 3.323 2.453 3.533 . 0 0 "[ . 1 . 2]" 1
603 1 153 ILE HA 1 153 ILE MG . . 3.460 2.313 2.164 2.372 . 0 0 "[ . 1 . 2]" 1
604 1 153 ILE HB 1 153 ILE MD . . 3.230 2.186 2.084 3.227 . 0 0 "[ . 1 . 2]" 1
605 1 153 ILE MD 1 153 ILE MG . . 3.240 3.069 1.924 3.188 . 0 0 "[ . 1 . 2]" 1
606 1 92 TYR HA 1 153 ILE HA . . 5.350 4.874 4.052 5.366 0.016 5 0 "[ . 1 . 2]" 1
607 1 153 ILE HA 1 154 THR HA . . 5.500 4.370 4.360 4.392 . 0 0 "[ . 1 . 2]" 1
608 1 149 TRP HD1 1 153 ILE HA . . 5.500 4.139 3.725 5.522 0.022 7 0 "[ . 1 . 2]" 1
609 1 60 ASN HA 1 153 ILE HB . . 5.240 3.397 2.959 4.224 . 0 0 "[ . 1 . 2]" 1
610 1 152 ARG HD3 1 153 ILE HB . . 5.500 4.312 3.516 5.481 . 0 0 "[ . 1 . 2]" 1
611 1 153 ILE MG 1 154 THR HA . . 4.120 3.730 3.595 4.170 0.050 5 0 "[ . 1 . 2]" 1
612 1 153 ILE H 1 153 ILE MG . . 3.790 3.757 3.676 3.769 . 0 0 "[ . 1 . 2]" 1
613 1 93 VAL MG1 1 153 ILE MG . . 4.010 3.147 1.916 3.685 . 0 0 "[ . 1 . 2]" 1
614 1 152 ARG HD3 1 153 ILE MD . . 4.150 3.294 2.598 4.059 . 0 0 "[ . 1 . 2]" 1
615 1 60 ASN HA 1 153 ILE MD . . 3.340 1.909 1.799 2.090 . 0 0 "[ . 1 . 2]" 1
616 1 152 ARG HA 1 153 ILE MD . . 4.030 3.077 2.821 3.266 . 0 0 "[ . 1 . 2]" 1
617 1 61 SER HA 1 153 ILE MD . . 4.390 3.422 2.721 4.732 0.342 15 0 "[ . 1 . 2]" 1
618 1 149 TRP HA 1 153 ILE MD . . 5.500 5.351 4.114 5.604 0.104 15 0 "[ . 1 . 2]" 1
619 1 149 TRP HD1 1 153 ILE MD . . 4.040 2.969 2.398 3.125 . 0 0 "[ . 1 . 2]" 1
620 1 132 ILE HB 1 132 ILE MD . . 3.350 2.232 1.996 3.216 . 0 0 "[ . 1 . 2]" 1
621 1 132 ILE HA 1 132 ILE MG . . 3.300 2.775 1.983 3.185 . 0 0 "[ . 1 . 2]" 1
622 1 79 ILE MD 1 80 ILE HA . . 4.240 3.829 2.369 4.485 0.245 19 0 "[ . 1 . 2]" 1
623 1 80 ILE HA 1 80 ILE MD . . 4.370 2.795 1.954 3.648 . 0 0 "[ . 1 . 2]" 1
624 1 163 LEU HA 1 163 LEU MD2 . . 3.410 2.276 1.978 3.599 0.189 20 0 "[ . 1 . 2]" 1
625 1 163 LEU HA 1 163 LEU HG . . 3.780 3.643 3.621 3.666 . 0 0 "[ . 1 . 2]" 1
626 1 163 LEU HA 1 163 LEU MD1 . . 3.410 2.174 1.951 2.423 . 0 0 "[ . 1 . 2]" 1
627 1 160 LEU HA 1 160 LEU MD1 . . 4.080 3.569 1.944 4.002 . 0 0 "[ . 1 . 2]" 1
628 1 123 LEU HA 1 123 LEU HG . . 4.060 3.028 2.550 3.517 . 0 0 "[ . 1 . 2]" 1
629 1 17 THR HA 1 17 THR MG . . 3.470 2.632 2.426 3.206 . 0 0 "[ . 1 . 2]" 1
630 1 17 THR HA 1 17 THR HG1 . . 3.970 3.607 2.811 4.042 0.072 20 0 "[ . 1 . 2]" 1
631 1 56 THR HA 1 56 THR MG . . 3.300 2.137 2.046 2.235 . 0 0 "[ . 1 . 2]" 1
632 1 29 TYR HB3 1 56 THR HB . . 4.760 2.273 1.973 2.953 . 0 0 "[ . 1 . 2]" 1
633 1 56 THR MG 1 154 THR MG . . 3.630 1.979 1.909 2.245 . 0 0 "[ . 1 . 2]" 1
634 1 29 TYR HB3 1 56 THR MG . . 4.240 3.015 2.438 3.796 . 0 0 "[ . 1 . 2]" 1
635 1 56 THR MG 1 154 THR HB . . 4.140 3.536 3.424 3.992 . 0 0 "[ . 1 . 2]" 1
636 1 56 THR MG 1 154 THR HA . . 3.720 2.424 2.105 2.701 . 0 0 "[ . 1 . 2]" 1
637 1 28 SER HA 1 56 THR HB . . 5.500 4.285 3.854 4.724 . 0 0 "[ . 1 . 2]" 1
638 1 72 THR MG 1 74 ARG HG3 . . 4.240 2.503 2.186 2.948 . 0 0 "[ . 1 . 2]" 1
639 1 72 THR HA 1 72 THR MG . . 3.690 3.189 3.161 3.202 . 0 0 "[ . 1 . 2]" 1
640 1 72 THR HA 1 72 THR HG1 . . 3.820 2.925 2.233 3.514 . 0 0 "[ . 1 . 2]" 1
641 1 70 LEU HG 1 72 THR HB . . 5.500 5.313 4.903 5.719 0.219 14 0 "[ . 1 . 2]" 1
642 1 72 THR MG 1 74 ARG HD3 . . 4.660 4.214 3.669 4.413 . 0 0 "[ . 1 . 2]" 1
643 1 72 THR MG 1 74 ARG HA . . 4.460 3.980 3.423 4.213 . 0 0 "[ . 1 . 2]" 1
644 1 72 THR MG 1 74 ARG H . . 4.180 3.080 2.477 3.418 . 0 0 "[ . 1 . 2]" 1
645 1 77 THR HA 1 133 PHE QD . . 5.180 4.766 3.269 5.313 0.133 11 0 "[ . 1 . 2]" 1
646 1 77 THR HB 1 136 PRO HB3 . . 5.500 4.351 3.997 5.257 . 0 0 "[ . 1 . 2]" 1
647 1 7 CYS HB3 1 77 THR HB . . 5.500 3.805 3.124 4.983 . 0 0 "[ . 1 . 2]" 1
648 1 77 THR MG 1 136 PRO HB3 . . 3.430 2.076 1.888 2.704 . 0 0 "[ . 1 . 2]" 1
649 1 77 THR H 1 77 THR MG . . 4.010 3.908 3.726 4.005 . 0 0 "[ . 1 . 2]" 1
650 1 81 THR HA 1 81 THR MG . . 3.410 3.025 2.346 3.207 . 0 0 "[ . 1 . 2]" 1
651 1 81 THR HB 1 157 LEU HA . . 5.230 3.451 2.635 4.883 . 0 0 "[ . 1 . 2]" 1
652 1 81 THR MG 1 82 GLN H . . 4.070 3.328 2.168 4.000 . 0 0 "[ . 1 . 2]" 1
653 1 108 THR HA 1 108 THR MG . . 2.720 2.382 2.259 2.448 . 0 0 "[ . 1 . 2]" 1
654 1 99 ALA MB 1 108 THR HA . . 5.270 4.223 3.784 5.281 0.011 6 0 "[ . 1 . 2]" 1
655 1 99 ALA MB 1 108 THR HB . . 5.250 4.584 4.079 5.136 . 0 0 "[ . 1 . 2]" 1
656 1 107 TRP HA 1 108 THR HB . . 5.010 4.636 4.561 4.701 . 0 0 "[ . 1 . 2]" 1
657 1 99 ALA HA 1 108 THR MG . . 4.560 4.520 4.157 4.625 0.065 12 0 "[ . 1 . 2]" 1
658 1 108 THR MG 1 109 VAL H . . 3.780 3.092 2.580 3.537 . 0 0 "[ . 1 . 2]" 1
659 1 100 HIS H 1 108 THR MG . . 3.870 3.841 3.503 3.915 0.045 8 0 "[ . 1 . 2]" 1
660 1 154 THR HA 1 154 THR MG . . 2.990 2.060 1.972 2.233 . 0 0 "[ . 1 . 2]" 1
661 1 56 THR HB 1 154 THR HA . . 5.450 4.656 4.461 4.868 . 0 0 "[ . 1 . 2]" 1
662 1 91 GLN HB3 1 154 THR HB . . 4.250 3.694 3.137 4.046 . 0 0 "[ . 1 . 2]" 1
663 1 56 THR HA 1 154 THR HB . . 5.490 4.840 4.573 5.251 . 0 0 "[ . 1 . 2]" 1
664 1 56 THR HA 1 154 THR MG . . 3.430 2.822 2.412 3.437 0.007 5 0 "[ . 1 . 2]" 1
665 1 25 ALA MB 1 41 PRO HB3 . . 4.160 3.649 2.877 4.350 0.190 20 0 "[ . 1 . 2]" 1
666 1 36 ALA MB 1 38 GLY H . . 4.290 2.923 2.361 4.041 . 0 0 "[ . 1 . 2]" 1
667 1 36 ALA MB 1 37 PHE HA . . 4.480 4.083 3.705 4.449 . 0 0 "[ . 1 . 2]" 1
668 1 54 ALA MB 1 154 THR MG . . 2.900 2.479 2.132 2.709 . 0 0 "[ . 1 . 2]" 1
669 1 54 ALA HA 1 154 THR MG . . 5.420 4.804 4.485 5.063 . 0 0 "[ . 1 . 2]" 1
670 1 44 GLY HA3 1 54 ALA HA . . 4.480 3.781 2.868 4.558 0.078 10 0 "[ . 1 . 2]" 1
671 1 57 ALA MB 1 153 ILE MD . . 3.160 2.438 2.134 3.334 0.174 5 0 "[ . 1 . 2]" 1
672 1 57 ALA MB 1 153 ILE MG . . 3.190 2.083 1.873 2.542 . 0 0 "[ . 1 . 2]" 1
673 1 62 ALA MB 1 147 VAL MG1 . . 4.140 3.414 2.344 3.855 . 0 0 "[ . 1 . 2]" 1
674 1 62 ALA MB 1 149 TRP HZ3 . . 3.740 1.950 1.883 2.046 . 0 0 "[ . 1 . 2]" 1
675 1 84 ALA HA 1 154 THR MG . . 4.900 4.384 3.935 4.623 . 0 0 "[ . 1 . 2]" 1
676 1 54 ALA MB 1 84 ALA MB . . 2.870 1.727 1.694 1.783 . 0 0 "[ . 1 . 2]" 1
677 1 84 ALA MB 1 154 THR HA . . 4.680 3.972 3.699 4.562 . 0 0 "[ . 1 . 2]" 1
678 1 99 ALA HA 1 142 VAL HB . . 5.500 5.155 4.938 5.390 . 0 0 "[ . 1 . 2]" 1
679 1 99 ALA HA 1 107 TRP HB3 . . 5.320 5.162 5.008 5.416 0.096 18 0 "[ . 1 . 2]" 1
680 1 99 ALA MB 1 109 VAL HB . . 4.950 3.749 3.300 4.407 . 0 0 "[ . 1 . 2]" 1
681 1 99 ALA MB 1 142 VAL HB . . 5.500 4.779 4.624 5.210 . 0 0 "[ . 1 . 2]" 1
682 1 99 ALA MB 1 107 TRP HB3 . . 3.390 2.581 2.230 3.111 . 0 0 "[ . 1 . 2]" 1
683 1 99 ALA MB 1 109 VAL HA . . 3.240 2.428 1.969 3.190 . 0 0 "[ . 1 . 2]" 1
684 1 99 ALA H 1 99 ALA MB . . 3.070 2.479 2.318 2.527 . 0 0 "[ . 1 . 2]" 1
685 1 99 ALA MB 1 143 ARG H . . 4.110 3.232 2.711 3.864 . 0 0 "[ . 1 . 2]" 1
686 1 99 ALA MB 1 100 HIS HD2 . . 4.340 4.137 4.052 4.279 . 0 0 "[ . 1 . 2]" 1
687 1 139 ALA HA 1 142 VAL MG1 . . 5.500 4.778 4.521 5.553 0.053 14 0 "[ . 1 . 2]" 1
688 1 133 PHE QD 1 135 LYS HA . . 5.500 5.044 3.239 5.624 0.124 19 0 "[ . 1 . 2]" 1
689 1 76 VAL MG1 1 139 ALA MB . . 3.650 2.613 2.210 3.531 . 0 0 "[ . 1 . 2]" 1
690 1 139 ALA MB 1 142 VAL MG1 . . 3.310 2.708 2.398 3.314 0.004 14 0 "[ . 1 . 2]" 1
691 1 100 HIS HB3 1 139 ALA MB . . 4.110 2.600 2.148 2.799 . 0 0 "[ . 1 . 2]" 1
692 1 102 ASP HA 1 139 ALA MB . . 4.480 3.585 3.313 3.861 . 0 0 "[ . 1 . 2]" 1
693 1 100 HIS HA 1 139 ALA MB . . 4.260 4.144 3.628 4.323 0.063 3 0 "[ . 1 . 2]" 1
694 1 43 LEU H 1 55 TRP HA . . 4.970 4.591 3.714 4.890 . 0 0 "[ . 1 . 2]" 1
695 1 65 TRP HA 1 145 LEU MD1 . . 5.500 4.290 2.983 5.550 0.050 5 0 "[ . 1 . 2]" 1
696 1 65 TRP HA 1 145 LEU MD2 . . 5.500 4.806 2.619 5.419 . 0 0 "[ . 1 . 2]" 1
697 1 65 TRP HA 1 145 LEU HB3 . . 5.500 5.035 3.695 5.522 0.022 11 0 "[ . 1 . 2]" 1
698 1 93 VAL HA 1 149 TRP HA . . 3.680 1.919 1.788 2.001 . 0 0 "[ . 1 . 2]" 1
699 1 87 PHE HA 1 87 PHE QD . . 3.870 3.008 2.070 3.707 . 0 0 "[ . 1 . 2]" 1
700 1 119 PHE HA 1 119 PHE QD . . 3.870 2.660 2.179 3.726 . 0 0 "[ . 1 . 2]" 1
701 1 133 PHE HA 1 133 PHE QD . . 3.810 3.616 2.160 3.720 . 0 0 "[ . 1 . 2]" 1
702 1 74 ARG HA 1 74 ARG HD3 . . 3.660 2.051 1.992 2.538 . 0 0 "[ . 1 . 2]" 1
703 1 85 ARG HA 1 85 ARG HD3 . . 5.500 4.595 4.067 5.265 . 0 0 "[ . 1 . 2]" 1
704 1 85 ARG HA 1 85 ARG HG3 . . 4.230 3.674 3.564 3.862 . 0 0 "[ . 1 . 2]" 1
705 1 85 ARG HB3 1 90 ILE HA . . 4.700 2.483 1.971 3.088 . 0 0 "[ . 1 . 2]" 1
706 1 85 ARG HG3 1 90 ILE HA . . 5.500 4.697 4.299 5.225 . 0 0 "[ . 1 . 2]" 1
707 1 85 ARG HD3 1 90 ILE HA . . 5.500 4.398 3.785 5.513 0.013 16 0 "[ . 1 . 2]" 1
708 1 42 HIS HA 1 43 LEU MD2 . . 5.340 4.567 3.749 5.482 0.142 15 0 "[ . 1 . 2]" 1
709 1 42 HIS HA 1 43 LEU MD1 . . 5.340 4.648 3.863 5.334 . 0 0 "[ . 1 . 2]" 1
710 1 20 ASP HA 1 42 HIS HA . . 5.290 5.166 4.586 5.413 0.123 16 0 "[ . 1 . 2]" 1
711 1 20 ASP HB3 1 42 HIS HB3 . . 5.500 3.228 2.057 4.744 . 0 0 "[ . 1 . 2]" 1
712 1 100 HIS HA 1 100 HIS HD2 . . 4.530 3.326 2.967 3.558 . 0 0 "[ . 1 . 2]" 1
713 1 100 HIS HA 1 100 HIS HE1 . . 5.500 5.477 5.412 5.542 0.042 14 0 "[ . 1 . 2]" 1
714 1 100 HIS HB3 1 142 VAL MG1 . . 5.310 2.490 2.283 2.862 . 0 0 "[ . 1 . 2]" 1
715 1 80 ILE MD 1 128 HIS HA . . 4.030 3.689 2.812 4.286 0.256 19 0 "[ . 1 . 2]" 1
716 1 128 HIS HA 1 128 HIS HD1 . . 4.700 4.118 3.665 4.651 . 0 0 "[ . 1 . 2]" 1
717 1 128 HIS HA 1 128 HIS HD2 . . 5.250 4.454 2.180 5.118 . 0 0 "[ . 1 . 2]" 1
718 1 13 LEU MD1 1 45 ARG HA . . 5.500 3.721 2.324 5.350 . 0 0 "[ . 1 . 2]" 1
719 1 13 LEU MD2 1 45 ARG HA . . 5.500 3.818 2.536 5.434 . 0 0 "[ . 1 . 2]" 1
720 1 99 ALA HA 1 109 VAL HB . . 5.500 4.608 4.082 5.405 . 0 0 "[ . 1 . 2]" 1
721 1 73 GLN HA 1 140 ARG HA . . 3.930 2.886 2.422 3.257 . 0 0 "[ . 1 . 2]" 1
722 1 73 GLN HA 1 73 GLN HG3 . . 3.940 2.239 2.140 2.797 . 0 0 "[ . 1 . 2]" 1
723 1 73 GLN HG3 1 74 ARG H . . 4.890 4.135 3.968 4.578 . 0 0 "[ . 1 . 2]" 1
724 1 73 GLN HG3 1 139 ALA H . . 5.220 3.885 3.439 4.675 . 0 0 "[ . 1 . 2]" 1
725 1 106 GLN HA 1 106 GLN HG3 . . 3.460 3.284 3.121 3.462 0.002 18 0 "[ . 1 . 2]" 1
726 1 106 GLN HA 1 107 TRP HD1 . . 5.070 4.468 4.265 4.657 . 0 0 "[ . 1 . 2]" 1
727 1 105 VAL HB 1 106 GLN HG3 . . 5.220 4.802 4.366 5.130 . 0 0 "[ . 1 . 2]" 1
728 1 105 VAL MG1 1 106 GLN HG3 . . 4.850 3.388 1.972 4.800 . 0 0 "[ . 1 . 2]" 1
729 1 105 VAL MG2 1 106 GLN HG3 . . 4.850 3.043 1.961 4.096 . 0 0 "[ . 1 . 2]" 1
730 1 120 GLN HA 1 120 GLN HG3 . . 4.250 3.572 2.590 4.215 . 0 0 "[ . 1 . 2]" 1
731 1 96 TYR H 1 120 GLN HA . . 4.360 3.547 2.825 4.204 . 0 0 "[ . 1 . 2]" 1
732 1 49 GLN HG3 1 50 GLY HA3 . . 5.500 4.294 3.302 5.461 . 0 0 "[ . 1 . 2]" 1
733 1 111 GLU HB3 1 116 SER HA . . 3.870 2.402 1.950 3.652 . 0 0 "[ . 1 . 2]" 1
734 1 111 GLU HA 1 111 GLU HG3 . . 3.950 3.372 2.579 3.953 0.003 6 0 "[ . 1 . 2]" 1
735 1 110 TYR HB3 1 111 GLU HA . . 5.500 5.050 4.555 5.793 0.293 2 0 "[ . 1 . 2]" 1
736 1 111 GLU HA 1 116 SER HB3 . . 5.360 4.530 3.570 5.636 0.276 12 0 "[ . 1 . 2]" 1
737 1 112 GLU HA 1 112 GLU HG3 . . 4.210 3.008 2.219 3.768 . 0 0 "[ . 1 . 2]" 1
738 1 134 GLU HA 1 134 GLU HG3 . . 3.830 2.660 2.061 3.610 . 0 0 "[ . 1 . 2]" 1
739 1 164 GLU HA 1 164 GLU HG3 . . 4.150 2.784 2.119 3.447 . 0 0 "[ . 1 . 2]" 1
740 1 14 LYS HB3 1 15 ASN HA . . 4.760 4.499 4.195 4.717 . 0 0 "[ . 1 . 2]" 1
741 1 16 ASN HB3 1 17 THR MG . . 5.500 4.657 3.082 5.242 . 0 0 "[ . 1 . 2]" 1
742 1 45 ARG HG3 1 48 ASN HB3 . . 5.500 3.981 2.411 5.573 0.073 6 0 "[ . 1 . 2]" 1
743 1 60 ASN HA 1 153 ILE MG . . 4.730 4.559 4.036 4.829 0.099 15 0 "[ . 1 . 2]" 1
744 1 57 ALA MB 1 60 ASN HA . . 4.550 2.351 2.081 3.618 . 0 0 "[ . 1 . 2]" 1
745 1 60 ASN HA 1 152 ARG HD3 . . 5.500 3.538 2.769 4.533 . 0 0 "[ . 1 . 2]" 1
746 1 60 ASN HA 1 61 SER HA . . 5.340 4.414 4.378 4.435 . 0 0 "[ . 1 . 2]" 1
747 1 86 ASP HA 1 87 PHE QD . . 4.100 3.234 2.714 4.310 0.210 19 0 "[ . 1 . 2]" 1
748 1 86 ASP HB3 1 87 PHE QD . . 5.030 4.186 2.573 5.053 0.023 19 0 "[ . 1 . 2]" 1
749 1 12 GLY HA2 1 17 THR MG . . 5.140 4.332 3.666 5.268 0.128 14 0 "[ . 1 . 2]" 1
750 1 12 GLY HA2 1 18 ILE HG13 . . 5.500 4.050 2.674 5.162 . 0 0 "[ . 1 . 2]" 1
751 1 12 GLY HA3 1 17 THR MG . . 5.140 4.952 4.538 5.177 0.037 5 0 "[ . 1 . 2]" 1
752 1 12 GLY HA3 1 18 ILE HG13 . . 5.500 3.950 2.681 5.207 . 0 0 "[ . 1 . 2]" 1
753 1 83 GLY HA3 1 125 ASN HA . . 4.690 2.445 1.976 2.974 . 0 0 "[ . 1 . 2]" 1
754 1 49 GLN HG3 1 50 GLY HA2 . . 5.500 4.295 3.645 5.319 . 0 0 "[ . 1 . 2]" 1
755 1 50 GLY HA2 1 51 LYS HG3 . . 5.500 5.337 3.664 5.799 0.299 6 0 "[ . 1 . 2]" 1
756 1 50 GLY HA3 1 51 LYS HG3 . . 5.500 5.043 3.098 5.708 0.208 15 0 "[ . 1 . 2]" 1
757 1 76 VAL HB 1 78 GLY HA2 . . 5.500 5.241 4.662 5.510 0.010 7 0 "[ . 1 . 2]" 1
758 1 76 VAL HB 1 78 GLY HA3 . . 5.500 5.545 5.352 5.661 0.161 6 0 "[ . 1 . 2]" 1
759 1 77 THR MG 1 78 GLY HA3 . . 5.500 4.922 4.493 5.328 . 0 0 "[ . 1 . 2]" 1
760 1 78 GLY HA3 1 132 ILE HA . . 4.920 3.780 2.894 4.622 . 0 0 "[ . 1 . 2]" 1
761 1 77 THR MG 1 78 GLY HA2 . . 5.500 5.071 4.678 5.374 . 0 0 "[ . 1 . 2]" 1
762 1 101 SER H 1 104 GLY HA2 . . 5.500 5.585 5.516 5.806 0.306 18 0 "[ . 1 . 2]" 1
763 1 76 VAL HB 1 161 GLY HA3 . . 5.500 4.896 4.435 5.211 . 0 0 "[ . 1 . 2]" 1
764 1 160 LEU HB3 1 161 GLY HA3 . . 5.500 5.130 4.940 5.234 . 0 0 "[ . 1 . 2]" 1
765 1 160 LEU HB3 1 161 GLY HA2 . . 5.500 4.700 4.480 4.898 . 0 0 "[ . 1 . 2]" 1
766 1 76 VAL MG1 1 161 GLY HA3 . . 4.620 3.968 3.604 4.220 . 0 0 "[ . 1 . 2]" 1
767 1 77 THR H 1 161 GLY HA3 . . 4.600 3.564 3.347 3.652 . 0 0 "[ . 1 . 2]" 1
768 1 76 VAL H 1 161 GLY HA3 . . 5.340 5.059 4.749 5.304 . 0 0 "[ . 1 . 2]" 1
769 1 78 GLY H 1 161 GLY HA3 . . 5.500 5.518 5.256 5.666 0.166 11 0 "[ . 1 . 2]" 1
770 1 51 LYS HA 1 52 ILE H . . 3.530 3.460 3.086 3.498 . 0 0 "[ . 1 . 2]" 1
771 1 51 LYS H 1 52 ILE H . . 3.600 1.781 1.652 1.852 . 0 0 "[ . 1 . 2]" 1
772 1 52 ILE H 1 53 ASN H . . 3.570 2.946 2.298 3.224 . 0 0 "[ . 1 . 2]" 1
773 1 52 ILE H 1 52 ILE MG . . 3.940 3.756 3.726 3.826 . 0 0 "[ . 1 . 2]" 1
774 1 52 ILE H 1 52 ILE HB . . 3.020 2.708 2.543 2.807 . 0 0 "[ . 1 . 2]" 1
775 1 52 ILE H 1 52 ILE HG13 . . 3.840 2.461 2.121 3.777 . 0 0 "[ . 1 . 2]" 1
776 1 52 ILE H 1 52 ILE MD . . 3.730 2.050 1.928 2.643 . 0 0 "[ . 1 . 2]" 1
777 1 17 THR H 1 18 ILE H . . 3.280 2.829 1.829 3.121 . 0 0 "[ . 1 . 2]" 1
778 1 67 GLN HA 1 68 VAL H . . 3.350 2.220 2.163 2.337 . 0 0 "[ . 1 . 2]" 1
779 1 67 GLN H 1 68 VAL H . . 4.930 4.436 4.369 4.487 . 0 0 "[ . 1 . 2]" 1
780 1 68 VAL H 1 68 VAL HB . . 3.350 2.777 2.633 3.095 . 0 0 "[ . 1 . 2]" 1
781 1 75 GLN H 1 76 VAL H . . 4.720 4.417 4.385 4.448 . 0 0 "[ . 1 . 2]" 1
782 1 75 GLN HA 1 76 VAL H . . 3.230 2.139 2.138 2.141 . 0 0 "[ . 1 . 2]" 1
783 1 76 VAL H 1 76 VAL MG1 . . 3.210 2.331 2.191 2.449 . 0 0 "[ . 1 . 2]" 1
784 1 76 VAL H 1 76 VAL MG2 . . 3.200 2.073 1.970 2.219 . 0 0 "[ . 1 . 2]" 1
785 1 93 VAL H 1 93 VAL MG1 . . 4.170 3.383 1.985 3.826 . 0 0 "[ . 1 . 2]" 1
786 1 93 VAL H 1 93 VAL HB . . 3.830 2.913 2.592 3.695 . 0 0 "[ . 1 . 2]" 1
787 1 93 VAL H 1 93 VAL MG2 . . 4.170 2.280 2.088 2.757 . 0 0 "[ . 1 . 2]" 1
788 1 98 VAL H 1 98 VAL HB . . 3.780 2.970 2.535 3.200 . 0 0 "[ . 1 . 2]" 1
789 1 104 GLY H 1 105 VAL H . . 3.780 2.753 2.554 2.914 . 0 0 "[ . 1 . 2]" 1
790 1 105 VAL H 1 105 VAL HB . . 3.840 3.306 2.859 3.709 . 0 0 "[ . 1 . 2]" 1
791 1 105 VAL H 1 105 VAL MG2 . . 3.820 2.894 1.918 3.827 0.007 13 0 "[ . 1 . 2]" 1
792 1 105 VAL H 1 105 VAL MG1 . . 3.820 2.222 1.837 2.623 . 0 0 "[ . 1 . 2]" 1
793 1 108 THR HA 1 109 VAL H . . 2.630 2.173 2.143 2.283 . 0 0 "[ . 1 . 2]" 1
794 1 109 VAL H 1 109 VAL MG1 . . 3.990 2.607 2.247 3.780 . 0 0 "[ . 1 . 2]" 1
795 1 109 VAL H 1 109 VAL MG2 . . 3.990 2.027 1.893 2.422 . 0 0 "[ . 1 . 2]" 1
796 1 109 VAL H 1 109 VAL HB . . 3.640 3.595 2.504 3.690 0.050 7 0 "[ . 1 . 2]" 1
797 1 108 THR HB 1 109 VAL H . . 4.520 4.390 4.213 4.472 . 0 0 "[ . 1 . 2]" 1
798 1 99 ALA HA 1 109 VAL H . . 4.740 4.580 4.223 4.806 0.066 18 0 "[ . 1 . 2]" 1
799 1 109 VAL H 1 110 TYR H . . 4.600 4.049 2.324 4.589 . 0 0 "[ . 1 . 2]" 1
800 1 105 VAL H 1 106 GLN HA . . 5.070 4.853 4.822 4.941 . 0 0 "[ . 1 . 2]" 1
801 1 98 VAL H 1 110 TYR QD . . 5.500 4.636 1.913 5.548 0.048 2 0 "[ . 1 . 2]" 1
802 1 98 VAL H 1 119 PHE QD . . 5.500 4.456 3.021 5.357 . 0 0 "[ . 1 . 2]" 1
803 1 75 GLN HB3 1 76 VAL H . . 5.000 4.443 4.384 4.504 . 0 0 "[ . 1 . 2]" 1
804 1 76 VAL H 1 138 MET HA . . 3.850 3.353 3.099 3.564 . 0 0 "[ . 1 . 2]" 1
805 1 52 ILE H 1 53 ASN HA . . 5.340 5.179 4.567 5.416 0.076 4 0 "[ . 1 . 2]" 1
806 1 117 LYS HA 1 118 VAL H . . 2.870 2.508 2.154 3.139 0.269 10 0 "[ . 1 . 2]" 1
807 1 118 VAL H 1 118 VAL MG1 . . 4.130 2.372 1.852 3.801 . 0 0 "[ . 1 . 2]" 1
808 1 117 LYS HD3 1 118 VAL H . . 4.230 3.695 2.125 4.446 0.216 8 0 "[ . 1 . 2]" 1
809 1 118 VAL H 1 119 PHE H . . 4.700 4.570 4.434 4.643 . 0 0 "[ . 1 . 2]" 1
810 1 118 VAL H 1 119 PHE QD . . 5.500 5.420 4.761 5.772 0.272 9 0 "[ . 1 . 2]" 1
811 1 141 TYR HA 1 142 VAL H . . 3.130 2.165 2.138 2.345 . 0 0 "[ . 1 . 2]" 1
812 1 141 TYR H 1 142 VAL H . . 4.410 4.107 3.966 4.403 . 0 0 "[ . 1 . 2]" 1
813 1 68 VAL HB 1 142 VAL H . . 4.280 3.072 2.920 3.475 . 0 0 "[ . 1 . 2]" 1
814 1 142 VAL H 1 142 VAL MG2 . . 3.600 2.262 2.172 2.336 . 0 0 "[ . 1 . 2]" 1
815 1 142 VAL H 1 142 VAL MG1 . . 3.820 2.477 2.283 2.639 . 0 0 "[ . 1 . 2]" 1
816 1 68 VAL H 1 142 VAL H . . 3.970 3.302 2.864 3.937 . 0 0 "[ . 1 . 2]" 1
817 1 143 ARG HA 1 144 VAL H . . 3.190 2.203 2.180 2.240 . 0 0 "[ . 1 . 2]" 1
818 1 143 ARG H 1 144 VAL H . . 4.410 4.409 4.382 4.487 0.077 18 0 "[ . 1 . 2]" 1
819 1 144 VAL H 1 144 VAL HB . . 3.980 3.187 2.770 3.886 . 0 0 "[ . 1 . 2]" 1
820 1 65 TRP HA 1 144 VAL H . . 5.500 5.217 4.927 5.522 0.022 9 0 "[ . 1 . 2]" 1
821 1 98 VAL HA 1 144 VAL H . . 5.500 5.066 4.493 5.518 0.018 4 0 "[ . 1 . 2]" 1
822 1 66 LEU H 1 144 VAL H . . 3.760 3.522 3.332 3.677 . 0 0 "[ . 1 . 2]" 1
823 1 96 TYR HA 1 147 VAL H . . 3.820 2.635 2.156 2.950 . 0 0 "[ . 1 . 2]" 1
824 1 147 VAL H 1 147 VAL MG1 . . 4.210 3.816 3.028 3.897 . 0 0 "[ . 1 . 2]" 1
825 1 62 ALA MB 1 147 VAL H . . 5.100 4.657 4.033 5.121 0.021 19 0 "[ . 1 . 2]" 1
826 1 152 ARG HA 1 153 ILE H . . 3.470 2.223 2.159 2.275 . 0 0 "[ . 1 . 2]" 1
827 1 153 ILE H 1 153 ILE HB . . 3.520 2.546 2.459 2.934 . 0 0 "[ . 1 . 2]" 1
828 1 153 ILE H 1 153 ILE MD . . 3.570 1.898 1.853 2.257 . 0 0 "[ . 1 . 2]" 1
829 1 152 ARG HD3 1 153 ILE H . . 5.340 2.837 1.945 3.843 . 0 0 "[ . 1 . 2]" 1
830 1 131 ASN HA 1 132 ILE H . . 2.730 2.257 2.164 2.390 . 0 0 "[ . 1 . 2]" 1
831 1 131 ASN H 1 132 ILE H . . 4.580 4.401 4.237 4.557 . 0 0 "[ . 1 . 2]" 1
832 1 132 ILE H 1 132 ILE HB . . 3.010 2.587 2.200 3.017 0.007 8 0 "[ . 1 . 2]" 1
833 1 132 ILE H 1 132 ILE MG . . 3.830 2.980 2.252 3.788 . 0 0 "[ . 1 . 2]" 1
834 1 79 ILE H 1 80 ILE H . . 4.800 4.392 4.323 4.468 . 0 0 "[ . 1 . 2]" 1
835 1 79 ILE HA 1 80 ILE H . . 3.440 2.361 2.264 2.542 . 0 0 "[ . 1 . 2]" 1
836 1 80 ILE H 1 80 ILE HB . . 3.660 3.383 3.005 3.573 . 0 0 "[ . 1 . 2]" 1
837 1 80 ILE H 1 80 ILE MG . . 3.350 2.333 2.033 2.601 . 0 0 "[ . 1 . 2]" 1
838 1 79 ILE MD 1 80 ILE H . . 4.110 3.845 2.474 4.271 0.161 14 0 "[ . 1 . 2]" 1
839 1 162 CYS H 1 163 LEU H . . 3.870 2.228 1.941 2.847 . 0 0 "[ . 1 . 2]" 1
840 1 162 CYS HB3 1 163 LEU H . . 4.550 3.411 3.006 4.349 . 0 0 "[ . 1 . 2]" 1
841 1 102 ASP H 1 103 ASP H . . 3.770 2.294 2.172 2.594 . 0 0 "[ . 1 . 2]" 1
842 1 159 LEU HA 1 160 LEU H . . 3.260 2.216 2.188 2.336 . 0 0 "[ . 1 . 2]" 1
843 1 79 ILE MG 1 160 LEU H . . 4.280 2.808 2.400 3.302 . 0 0 "[ . 1 . 2]" 1
844 1 123 LEU H 1 123 LEU HB3 . . 4.050 3.810 3.579 4.040 . 0 0 "[ . 1 . 2]" 1
845 1 123 LEU H 1 123 LEU HG . . 3.940 2.792 1.991 3.353 . 0 0 "[ . 1 . 2]" 1
846 1 122 ASN HB3 1 123 LEU H . . 4.360 2.874 1.941 4.518 0.158 16 0 "[ . 1 . 2]" 1
847 1 12 GLY HA3 1 17 THR H . . 4.110 3.364 2.435 3.780 . 0 0 "[ . 1 . 2]" 1
848 1 17 THR H 1 17 THR MG . . 3.330 2.512 2.334 3.136 . 0 0 "[ . 1 . 2]" 1
849 1 12 GLY HA2 1 17 THR H . . 4.110 2.244 1.952 2.997 . 0 0 "[ . 1 . 2]" 1
850 1 56 THR H 1 56 THR HB . . 3.930 2.947 2.918 2.988 . 0 0 "[ . 1 . 2]" 1
851 1 55 TRP HA 1 56 THR H . . 3.320 2.172 2.140 2.207 . 0 0 "[ . 1 . 2]" 1
852 1 56 THR HA 1 57 ALA H . . 3.150 2.409 2.289 2.469 . 0 0 "[ . 1 . 2]" 1
853 1 28 SER HA 1 56 THR H . . 5.130 4.445 4.201 4.771 . 0 0 "[ . 1 . 2]" 1
854 1 56 THR H 1 154 THR HA . . 5.500 4.495 4.366 4.662 . 0 0 "[ . 1 . 2]" 1
855 1 72 THR H 1 72 THR MG . . 2.970 2.163 1.972 2.420 . 0 0 "[ . 1 . 2]" 1
856 1 70 LEU HB3 1 72 THR H . . 4.580 2.982 2.042 4.256 . 0 0 "[ . 1 . 2]" 1
857 1 72 THR H 1 74 ARG H . . 5.500 4.657 4.429 4.854 . 0 0 "[ . 1 . 2]" 1
858 1 72 THR H 1 140 ARG HE . . 5.500 5.054 4.581 5.600 0.100 14 0 "[ . 1 . 2]" 1
859 1 70 LEU H 1 72 THR H . . 5.230 4.310 4.022 4.520 . 0 0 "[ . 1 . 2]" 1
860 1 72 THR H 1 73 GLN H . . 4.550 2.107 2.023 2.240 . 0 0 "[ . 1 . 2]" 1
861 1 71 GLY H 1 72 THR H . . 3.550 2.677 2.619 2.792 . 0 0 "[ . 1 . 2]" 1
862 1 77 THR H 1 78 GLY H . . 3.160 2.137 2.011 2.275 . 0 0 "[ . 1 . 2]" 1
863 1 76 VAL HA 1 77 THR H . . 3.300 2.230 2.177 2.298 . 0 0 "[ . 1 . 2]" 1
864 1 76 VAL HB 1 77 THR H . . 3.340 2.874 2.672 3.080 . 0 0 "[ . 1 . 2]" 1
865 1 77 THR H 1 78 GLY HA3 . . 4.960 4.290 4.163 4.620 . 0 0 "[ . 1 . 2]" 1
866 1 77 THR H 1 162 CYS HA . . 5.500 5.564 5.493 5.819 0.319 20 0 "[ . 1 . 2]" 1
867 1 80 ILE HA 1 81 THR H . . 3.160 2.202 2.179 2.238 . 0 0 "[ . 1 . 2]" 1
868 1 81 THR H 1 81 THR MG . . 4.130 2.556 2.070 3.887 . 0 0 "[ . 1 . 2]" 1
869 1 80 ILE MD 1 81 THR H . . 3.830 2.823 1.866 3.863 0.033 7 0 "[ . 1 . 2]" 1
870 1 80 ILE HB 1 81 THR H . . 4.800 4.035 3.917 4.204 . 0 0 "[ . 1 . 2]" 1
871 1 81 THR HA 1 82 GLN H . . 3.240 2.276 2.160 2.416 . 0 0 "[ . 1 . 2]" 1
872 1 107 TRP HA 1 108 THR H . . 3.280 2.170 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
873 1 108 THR H 1 108 THR MG . . 4.250 3.780 3.768 3.809 . 0 0 "[ . 1 . 2]" 1
874 1 108 THR H 1 108 THR HG1 . . 4.390 2.720 2.352 3.546 . 0 0 "[ . 1 . 2]" 1
875 1 108 THR H 1 108 THR HB . . 3.180 2.494 2.451 2.560 . 0 0 "[ . 1 . 2]" 1
876 1 99 ALA MB 1 108 THR H . . 4.560 3.593 3.144 4.207 . 0 0 "[ . 1 . 2]" 1
877 1 101 SER HA 1 108 THR H . . 4.800 3.296 3.151 3.645 . 0 0 "[ . 1 . 2]" 1
878 1 99 ALA HA 1 108 THR H . . 4.740 4.682 4.194 4.989 0.249 18 0 "[ . 1 . 2]" 1
879 1 100 HIS H 1 108 THR H . . 3.770 3.092 2.697 3.278 . 0 0 "[ . 1 . 2]" 1
880 1 153 ILE HA 1 154 THR H . . 3.280 2.281 2.211 2.372 . 0 0 "[ . 1 . 2]" 1
881 1 92 TYR HA 1 154 THR H . . 4.300 3.407 2.533 3.858 . 0 0 "[ . 1 . 2]" 1
882 1 153 ILE MD 1 154 THR H . . 5.500 4.947 4.281 5.119 . 0 0 "[ . 1 . 2]" 1
883 1 153 ILE MG 1 154 THR H . . 3.850 3.414 3.204 3.591 . 0 0 "[ . 1 . 2]" 1
884 1 93 VAL HA 1 154 THR H . . 4.990 5.023 4.823 5.236 0.246 20 0 "[ . 1 . 2]" 1
885 1 56 THR HA 1 154 THR H . . 5.060 4.551 4.477 4.618 . 0 0 "[ . 1 . 2]" 1
886 1 150 HIS H 1 154 THR H . . 5.500 5.243 5.090 5.467 . 0 0 "[ . 1 . 2]" 1
887 1 24 SER HA 1 25 ALA H . . 3.250 2.144 2.137 2.163 . 0 0 "[ . 1 . 2]" 1
888 1 24 SER H 1 25 ALA H . . 4.490 3.885 3.649 4.104 . 0 0 "[ . 1 . 2]" 1
889 1 25 ALA H 1 25 ALA MB . . 3.190 2.388 2.268 2.481 . 0 0 "[ . 1 . 2]" 1
890 1 96 TYR H 1 118 VAL HB . . 3.520 3.083 2.666 3.640 0.120 5 0 "[ . 1 . 2]" 1
891 1 25 ALA H 1 41 PRO HB3 . . 4.170 3.661 3.104 4.091 . 0 0 "[ . 1 . 2]" 1
892 1 25 ALA H 1 55 TRP HE1 . . 4.880 4.299 3.702 4.896 0.016 9 0 "[ . 1 . 2]" 1
893 1 25 ALA H 1 67 GLN H . . 4.870 4.388 4.206 4.617 . 0 0 "[ . 1 . 2]" 1
894 1 25 ALA MB 1 26 SER H . . 3.050 2.354 2.019 2.557 . 0 0 "[ . 1 . 2]" 1
895 1 52 ILE MG 1 54 ALA H . . 3.480 2.258 1.888 2.685 . 0 0 "[ . 1 . 2]" 1
896 1 43 LEU MD2 1 54 ALA H . . 4.350 3.730 2.627 4.494 0.144 16 0 "[ . 1 . 2]" 1
897 1 54 ALA H 1 54 ALA MB . . 3.300 2.898 2.760 2.948 . 0 0 "[ . 1 . 2]" 1
898 1 43 LEU HB3 1 54 ALA H . . 4.690 2.213 1.894 3.089 . 0 0 "[ . 1 . 2]" 1
899 1 52 ILE HA 1 54 ALA H . . 4.250 4.181 3.932 4.317 0.067 1 0 "[ . 1 . 2]" 1
900 1 52 ILE MD 1 54 ALA H . . 5.080 4.709 4.337 5.098 0.018 20 0 "[ . 1 . 2]" 1
901 1 44 GLY H 1 54 ALA H . . 4.940 4.573 3.811 5.062 0.122 20 0 "[ . 1 . 2]" 1
902 1 56 THR MG 1 57 ALA H . . 3.290 1.926 1.886 2.029 . 0 0 "[ . 1 . 2]" 1
903 1 57 ALA H 1 57 ALA MB . . 3.100 2.285 2.209 2.386 . 0 0 "[ . 1 . 2]" 1
904 1 56 THR H 1 57 ALA H . . 4.700 4.521 4.503 4.553 . 0 0 "[ . 1 . 2]" 1
905 1 62 ALA H 1 62 ALA MB . . 3.260 2.335 2.029 2.961 . 0 0 "[ . 1 . 2]" 1
906 1 61 SER HB3 1 62 ALA H . . 4.420 2.888 1.949 4.399 . 0 0 "[ . 1 . 2]" 1
907 1 62 ALA H 1 63 LYS H . . 4.150 2.574 2.218 3.388 . 0 0 "[ . 1 . 2]" 1
908 1 84 ALA H 1 91 GLN H . . 4.240 4.278 4.199 4.330 0.090 1 0 "[ . 1 . 2]" 1
909 1 83 GLY H 1 84 ALA H . . 4.690 4.525 4.431 4.599 . 0 0 "[ . 1 . 2]" 1
910 1 84 ALA H 1 84 ALA MB . . 3.630 2.487 2.369 2.644 . 0 0 "[ . 1 . 2]" 1
911 1 84 ALA H 1 154 THR HB . . 4.160 2.923 2.591 3.061 . 0 0 "[ . 1 . 2]" 1
912 1 94 ALA H 1 94 ALA MB . . 3.450 2.322 2.182 2.516 . 0 0 "[ . 1 . 2]" 1
913 1 94 ALA H 1 149 TRP HB3 . . 4.960 3.860 3.499 4.810 . 0 0 "[ . 1 . 2]" 1
914 1 94 ALA H 1 149 TRP HA . . 3.710 2.020 1.860 2.560 . 0 0 "[ . 1 . 2]" 1
915 1 94 ALA H 1 95 SER H . . 3.150 2.652 2.353 2.859 . 0 0 "[ . 1 . 2]" 1
916 1 94 ALA H 1 148 SER H . . 5.200 4.394 4.122 4.609 . 0 0 "[ . 1 . 2]" 1
917 1 94 ALA H 1 149 TRP H . . 5.470 4.307 4.101 4.489 . 0 0 "[ . 1 . 2]" 1
918 1 99 ALA H 1 143 ARG H . . 3.900 3.427 3.096 3.699 . 0 0 "[ . 1 . 2]" 1
919 1 98 VAL HA 1 99 ALA H . . 2.950 2.144 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
920 1 99 ALA H 1 144 VAL HA . . 4.080 3.160 2.851 3.440 . 0 0 "[ . 1 . 2]" 1
921 1 99 ALA H 1 145 LEU H . . 5.460 4.931 4.651 5.146 . 0 0 "[ . 1 . 2]" 1
922 1 101 SER H 1 102 ASP H . . 5.320 4.293 4.126 4.410 . 0 0 "[ . 1 . 2]" 1
923 1 98 VAL H 1 99 ALA H . . 4.650 4.281 4.157 4.423 . 0 0 "[ . 1 . 2]" 1
924 1 99 ALA H 1 109 VAL HA . . 5.220 4.634 4.266 5.130 . 0 0 "[ . 1 . 2]" 1
925 1 138 MET HA 1 139 ALA H . . 2.830 2.266 2.142 2.359 . 0 0 "[ . 1 . 2]" 1
926 1 139 ALA H 1 139 ALA MB . . 3.060 2.688 2.384 2.876 . 0 0 "[ . 1 . 2]" 1
927 1 76 VAL MG1 1 139 ALA H . . 4.120 3.976 3.041 4.167 0.047 18 0 "[ . 1 . 2]" 1
928 1 138 MET HG3 1 139 ALA H . . 5.500 4.352 4.041 4.995 . 0 0 "[ . 1 . 2]" 1
929 1 138 MET H 1 139 ALA H . . 4.680 4.607 4.478 4.638 . 0 0 "[ . 1 . 2]" 1
930 1 55 TRP H 1 55 TRP HB3 . . 3.700 2.279 2.105 2.588 . 0 0 "[ . 1 . 2]" 1
931 1 54 ALA MB 1 55 TRP H . . 3.280 2.975 2.633 3.299 0.019 18 0 "[ . 1 . 2]" 1
932 1 41 PRO HA 1 55 TRP H . . 5.380 5.402 5.150 5.580 0.200 20 0 "[ . 1 . 2]" 1
933 1 43 LEU H 1 55 TRP H . . 4.160 4.139 3.960 4.311 0.151 1 0 "[ . 1 . 2]" 1
934 1 55 TRP H 1 155 LEU H . . 5.060 3.745 3.377 4.139 . 0 0 "[ . 1 . 2]" 1
935 1 64 GLU HA 1 65 TRP H . . 3.520 2.347 2.193 2.532 . 0 0 "[ . 1 . 2]" 1
936 1 62 ALA H 1 64 GLU H . . 5.140 4.111 3.499 4.455 . 0 0 "[ . 1 . 2]" 1
937 1 26 SER HB3 1 65 TRP H . . 5.460 3.079 2.311 3.821 . 0 0 "[ . 1 . 2]" 1
938 1 64 GLU HG3 1 65 TRP H . . 5.310 3.660 1.973 5.064 . 0 0 "[ . 1 . 2]" 1
939 1 65 TRP HA 1 66 LEU H . . 3.360 2.225 2.185 2.269 . 0 0 "[ . 1 . 2]" 1
940 1 106 GLN HA 1 107 TRP H . . 3.160 2.189 2.159 2.262 . 0 0 "[ . 1 . 2]" 1
941 1 106 GLN HB3 1 107 TRP H . . 4.810 3.765 2.976 4.041 . 0 0 "[ . 1 . 2]" 1
942 1 107 TRP H 1 107 TRP HD1 . . 3.790 3.392 3.174 3.794 0.004 2 0 "[ . 1 . 2]" 1
943 1 148 SER HA 1 149 TRP H . . 2.920 2.149 2.137 2.188 . 0 0 "[ . 1 . 2]" 1
944 1 94 ALA MB 1 149 TRP H . . 4.490 4.434 3.906 4.703 0.213 6 0 "[ . 1 . 2]" 1
945 1 149 TRP H 1 149 TRP HE1 . . 5.500 5.229 4.939 5.358 . 0 0 "[ . 1 . 2]" 1
946 1 93 VAL HA 1 149 TRP H . . 5.020 4.745 4.621 4.860 . 0 0 "[ . 1 . 2]" 1
947 1 37 PHE H 1 38 GLY H . . 3.770 2.700 1.905 3.303 . 0 0 "[ . 1 . 2]" 1
948 1 37 PHE H 1 37 PHE HB3 . . 4.200 3.478 2.501 4.015 . 0 0 "[ . 1 . 2]" 1
949 1 36 ALA MB 1 37 PHE H . . 3.730 2.385 2.008 3.570 . 0 0 "[ . 1 . 2]" 1
950 1 87 PHE H 1 87 PHE QD . . 3.900 3.366 2.775 3.982 0.082 19 0 "[ . 1 . 2]" 1
951 1 86 ASP HB3 1 87 PHE H . . 4.800 4.260 3.682 4.531 . 0 0 "[ . 1 . 2]" 1
952 1 86 ASP H 1 87 PHE H . . 5.070 3.036 1.959 3.817 . 0 0 "[ . 1 . 2]" 1
953 1 87 PHE H 1 88 GLY H . . 5.260 3.037 1.817 3.430 . 0 0 "[ . 1 . 2]" 1
954 1 87 PHE H 1 89 HIS H . . 5.500 4.226 2.256 5.460 . 0 0 "[ . 1 . 2]" 1
955 1 118 VAL HA 1 119 PHE H . . 3.110 2.448 2.172 2.870 . 0 0 "[ . 1 . 2]" 1
956 1 119 PHE H 1 119 PHE HB3 . . 3.800 3.416 3.120 3.674 . 0 0 "[ . 1 . 2]" 1
957 1 118 VAL HB 1 119 PHE H . . 4.190 2.428 1.764 3.641 . 0 0 "[ . 1 . 2]" 1
958 1 95 SER HA 1 119 PHE H . . 5.100 4.555 3.789 5.136 0.036 7 0 "[ . 1 . 2]" 1
959 1 119 PHE H 1 119 PHE QD . . 3.530 3.076 2.188 3.557 0.027 10 0 "[ . 1 . 2]" 1
960 1 132 ILE HA 1 133 PHE H . . 3.020 2.626 2.251 2.926 . 0 0 "[ . 1 . 2]" 1
961 1 133 PHE H 1 134 GLU H . . 5.500 3.418 2.944 4.437 . 0 0 "[ . 1 . 2]" 1
962 1 132 ILE H 1 133 PHE H . . 4.650 4.472 4.206 4.641 . 0 0 "[ . 1 . 2]" 1
963 1 133 PHE H 1 133 PHE HB3 . . 3.910 2.776 2.438 3.209 . 0 0 "[ . 1 . 2]" 1
964 1 133 PHE H 1 133 PHE QD . . 3.690 2.307 1.867 3.709 0.019 10 0 "[ . 1 . 2]" 1
965 1 132 ILE MG 1 133 PHE H . . 3.230 2.351 1.854 3.353 0.123 10 0 "[ . 1 . 2]" 1
966 1 78 GLY HA3 1 133 PHE H . . 5.100 4.385 2.812 4.982 . 0 0 "[ . 1 . 2]" 1
967 1 136 PRO HA 1 137 PHE H . . 2.930 2.295 2.151 2.435 . 0 0 "[ . 1 . 2]" 1
968 1 76 VAL MG1 1 137 PHE H . . 4.540 4.435 4.244 4.625 0.085 6 0 "[ . 1 . 2]" 1
969 1 76 VAL MG2 1 137 PHE H . . 3.640 2.242 1.925 2.641 . 0 0 "[ . 1 . 2]" 1
970 1 76 VAL H 1 137 PHE H . . 3.790 2.813 2.670 3.019 . 0 0 "[ . 1 . 2]" 1
971 1 137 PHE H 1 138 MET H . . 4.530 4.300 4.005 4.357 . 0 0 "[ . 1 . 2]" 1
972 1 91 GLN HA 1 92 TYR H . . 3.050 2.339 2.271 2.429 . 0 0 "[ . 1 . 2]" 1
973 1 91 GLN HB3 1 92 TYR H . . 3.990 2.644 2.414 2.849 . 0 0 "[ . 1 . 2]" 1
974 1 92 TYR H 1 93 VAL HA . . 4.680 4.533 4.495 4.599 . 0 0 "[ . 1 . 2]" 1
975 1 109 VAL HA 1 110 TYR H . . 3.320 2.634 2.154 3.462 0.142 18 0 "[ . 1 . 2]" 1
976 1 73 GLN HA 1 74 ARG H . . 3.070 2.335 2.255 2.457 . 0 0 "[ . 1 . 2]" 1
977 1 73 GLN H 1 74 ARG H . . 4.160 3.291 3.051 3.437 . 0 0 "[ . 1 . 2]" 1
978 1 84 ALA HA 1 85 ARG H . . 3.440 2.424 2.201 2.605 . 0 0 "[ . 1 . 2]" 1
979 1 84 ALA MB 1 85 ARG H . . 3.390 2.457 2.013 2.955 . 0 0 "[ . 1 . 2]" 1
980 1 85 ARG H 1 85 ARG HB3 . . 3.870 3.106 2.827 3.342 . 0 0 "[ . 1 . 2]" 1
981 1 85 ARG H 1 87 PHE H . . 5.500 5.054 4.472 5.654 0.154 5 0 "[ . 1 . 2]" 1
982 1 16 ASN H 1 17 THR H . . 3.400 2.857 1.899 3.588 0.188 17 0 "[ . 1 . 2]" 1
983 1 139 ALA HA 1 140 ARG H . . 3.370 2.256 2.246 2.334 . 0 0 "[ . 1 . 2]" 1
984 1 102 ASP HA 1 140 ARG H . . 3.770 2.186 1.875 2.464 . 0 0 "[ . 1 . 2]" 1
985 1 102 ASP H 1 140 ARG H . . 5.470 4.456 4.294 4.604 . 0 0 "[ . 1 . 2]" 1
986 1 140 ARG H 1 141 TYR H . . 3.330 1.908 1.808 2.188 . 0 0 "[ . 1 . 2]" 1
987 1 142 VAL HA 1 143 ARG H . . 3.190 2.265 2.215 2.308 . 0 0 "[ . 1 . 2]" 1
988 1 20 ASP HA 1 22 GLN H . . 4.360 3.414 3.200 3.810 . 0 0 "[ . 1 . 2]" 1
989 1 22 GLN H 1 23 MET H . . 3.290 2.257 1.990 2.771 . 0 0 "[ . 1 . 2]" 1
990 1 20 ASP H 1 22 GLN H . . 5.120 5.072 4.399 5.311 0.191 9 0 "[ . 1 . 2]" 1
991 1 22 GLN H 1 22 GLN HG3 . . 3.860 3.127 2.787 3.551 . 0 0 "[ . 1 . 2]" 1
992 1 42 HIS H 1 43 LEU H . . 3.430 2.821 2.449 3.216 . 0 0 "[ . 1 . 2]" 1
993 1 42 HIS H 1 44 GLY H . . 4.930 4.455 3.942 4.831 . 0 0 "[ . 1 . 2]" 1
994 1 42 HIS H 1 42 HIS HB3 . . 4.120 3.643 2.938 4.045 . 0 0 "[ . 1 . 2]" 1
995 1 42 HIS H 1 43 LEU MD1 . . 4.960 4.246 3.545 4.954 . 0 0 "[ . 1 . 2]" 1
996 1 42 HIS H 1 55 TRP HB3 . . 4.380 4.408 3.857 4.632 0.252 9 0 "[ . 1 . 2]" 1
997 1 23 MET H 1 42 HIS H . . 5.150 5.106 4.099 5.304 0.154 20 0 "[ . 1 . 2]" 1
998 1 99 ALA HA 1 100 HIS H . . 3.080 2.241 2.211 2.301 . 0 0 "[ . 1 . 2]" 1
999 1 100 HIS H 1 109 VAL H . . 5.400 4.851 4.651 5.022 . 0 0 "[ . 1 . 2]" 1
1000 1 99 ALA MB 1 100 HIS H . . 3.080 2.839 2.615 2.909 . 0 0 "[ . 1 . 2]" 1
1001 1 100 HIS H 1 109 VAL HA . . 5.160 3.828 3.479 4.409 . 0 0 "[ . 1 . 2]" 1
1002 1 100 HIS H 1 101 SER HA . . 5.210 4.960 4.886 5.045 . 0 0 "[ . 1 . 2]" 1
1003 1 100 HIS H 1 100 HIS HD2 . . 4.430 2.812 2.567 3.259 . 0 0 "[ . 1 . 2]" 1
1004 1 100 HIS HA 1 101 SER H . . 3.540 2.214 2.198 2.224 . 0 0 "[ . 1 . 2]" 1
1005 1 100 HIS HB3 1 101 SER H . . 4.180 2.975 2.936 3.036 . 0 0 "[ . 1 . 2]" 1
1006 1 128 HIS H 1 129 LYS H . . 4.810 4.408 2.960 4.608 . 0 0 "[ . 1 . 2]" 1
1007 1 127 SER H 1 128 HIS H . . 4.680 4.352 3.652 4.594 . 0 0 "[ . 1 . 2]" 1
1008 1 128 HIS H 1 128 HIS HB3 . . 3.720 2.775 2.502 3.681 . 0 0 "[ . 1 . 2]" 1
1009 1 128 HIS H 1 128 HIS HD1 . . 4.860 3.060 1.732 4.966 0.106 9 0 "[ . 1 . 2]" 1
1010 1 128 HIS H 1 128 HIS HD2 . . 5.300 4.117 1.895 5.173 . 0 0 "[ . 1 . 2]" 1
1011 1 149 TRP HA 1 150 HIS H . . 3.360 2.526 2.284 2.658 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ASN HA 1 49 GLN H . . 2.910 2.320 2.147 2.773 . 0 0 "[ . 1 . 2]" 1
1013 1 49 GLN H 1 49 GLN HB3 . . 3.700 2.891 2.361 3.313 . 0 0 "[ . 1 . 2]" 1
1014 1 57 ALA HA 1 58 GLN H . . 3.500 2.383 2.163 2.482 . 0 0 "[ . 1 . 2]" 1
1015 1 66 LEU HA 1 67 GLN H . . 3.410 2.155 2.146 2.183 . 0 0 "[ . 1 . 2]" 1
1016 1 66 LEU H 1 67 GLN H . . 4.430 4.380 4.351 4.436 0.006 4 0 "[ . 1 . 2]" 1
1017 1 67 GLN H 1 67 GLN HG3 . . 4.950 3.293 2.040 4.012 . 0 0 "[ . 1 . 2]" 1
1018 1 72 THR HA 1 73 GLN H . . 3.560 3.341 3.271 3.470 . 0 0 "[ . 1 . 2]" 1
1019 1 72 THR MG 1 73 GLN H . . 3.700 2.546 2.264 2.725 . 0 0 "[ . 1 . 2]" 1
1020 1 74 ARG HA 1 75 GLN H . . 3.180 2.271 2.213 2.419 . 0 0 "[ . 1 . 2]" 1
1021 1 75 GLN H 1 162 CYS H . . 4.990 4.902 4.229 5.072 0.082 15 0 "[ . 1 . 2]" 1
1022 1 82 GLN H 1 156 ARG H . . 4.180 2.562 2.415 2.714 . 0 0 "[ . 1 . 2]" 1
1023 1 80 ILE H 1 158 GLU H . . 3.940 3.438 3.050 3.842 . 0 0 "[ . 1 . 2]" 1
1024 1 82 GLN H 1 157 LEU H . . 5.500 5.103 4.887 5.212 . 0 0 "[ . 1 . 2]" 1
1025 1 90 ILE HA 1 91 GLN H . . 3.310 2.156 2.139 2.190 . 0 0 "[ . 1 . 2]" 1
1026 1 90 ILE H 1 91 GLN H . . 5.260 4.495 4.334 4.586 . 0 0 "[ . 1 . 2]" 1
1027 1 105 VAL H 1 106 GLN H . . 2.920 2.137 2.109 2.267 . 0 0 "[ . 1 . 2]" 1
1028 1 149 TRP HD1 1 150 HIS H . . 4.920 3.350 2.897 4.319 . 0 0 "[ . 1 . 2]" 1
1029 1 105 VAL MG1 1 106 GLN H . . 3.970 3.014 1.919 3.960 . 0 0 "[ . 1 . 2]" 1
1030 1 112 GLU H 1 113 GLN H . . 4.850 2.262 1.858 3.029 . 0 0 "[ . 1 . 2]" 1
1031 1 119 PHE HA 1 120 GLN H . . 2.890 2.187 2.140 2.338 . 0 0 "[ . 1 . 2]" 1
1032 1 120 GLN H 1 120 GLN HE21 . . 4.960 3.048 1.898 4.673 . 0 0 "[ . 1 . 2]" 1
1033 1 119 PHE QD 1 120 GLN H . . 4.410 4.082 3.440 4.411 0.001 1 0 "[ . 1 . 2]" 1
1034 1 120 GLN H 1 120 GLN HE22 . . 4.960 4.166 2.684 5.058 0.098 8 0 "[ . 1 . 2]" 1
1035 1 149 TRP HD1 1 151 ASN H . . 5.340 3.947 3.746 4.214 . 0 0 "[ . 1 . 2]" 1
1036 1 9 GLU H 1 161 GLY H . . 3.470 2.367 1.900 2.615 . 0 0 "[ . 1 . 2]" 1
1037 1 8 SER H 1 9 GLU H . . 4.390 3.181 2.701 4.295 . 0 0 "[ . 1 . 2]" 1
1038 1 8 SER HA 1 9 GLU H . . 3.460 2.427 2.184 2.689 . 0 0 "[ . 1 . 2]" 1
1039 1 63 LYS H 1 64 GLU H . . 3.310 2.565 1.989 2.904 . 0 0 "[ . 1 . 2]" 1
1040 1 110 TYR H 1 111 GLU H . . 4.210 3.629 1.889 4.234 0.024 9 0 "[ . 1 . 2]" 1
1041 1 111 GLU H 1 117 LYS H . . 5.500 5.290 4.889 5.619 0.119 12 0 "[ . 1 . 2]" 1
1042 1 115 SER H 1 117 LYS H . . 5.500 4.441 3.482 5.618 0.118 8 0 "[ . 1 . 2]" 1
1043 1 111 GLU H 1 112 GLU H . . 4.640 4.587 4.441 4.642 0.002 5 0 "[ . 1 . 2]" 1
1044 1 110 TYR HA 1 111 GLU H . . 2.790 2.389 2.146 3.062 0.272 2 0 "[ . 1 . 2]" 1
1045 1 110 TYR HB3 1 111 GLU H . . 5.270 4.139 3.640 4.658 . 0 0 "[ . 1 . 2]" 1
1046 1 111 GLU HA 1 112 GLU H . . 3.050 2.400 2.204 2.943 . 0 0 "[ . 1 . 2]" 1
1047 1 112 GLU H 1 114 GLY H . . 4.520 3.432 2.553 4.536 0.016 3 0 "[ . 1 . 2]" 1
1048 1 133 PHE HA 1 134 GLU H . . 3.310 2.863 2.142 3.566 0.256 20 0 "[ . 1 . 2]" 1
1049 1 134 GLU H 1 135 LYS H . . 3.830 2.948 1.844 4.052 0.222 8 0 "[ . 1 . 2]" 1
1050 1 133 PHE QD 1 134 GLU H . . 4.690 3.928 1.937 4.750 0.060 5 0 "[ . 1 . 2]" 1
1051 1 157 LEU HA 1 158 GLU H . . 3.200 2.179 2.139 2.257 . 0 0 "[ . 1 . 2]" 1
1052 1 163 LEU H 1 164 GLU H . . 3.580 2.692 2.610 2.790 . 0 0 "[ . 1 . 2]" 1
1053 1 164 GLU H 1 164 GLU HB3 . . 3.300 2.946 2.604 3.284 . 0 0 "[ . 1 . 2]" 1
1054 1 162 CYS HA 1 164 GLU H . . 4.610 4.357 2.880 4.582 . 0 0 "[ . 1 . 2]" 1
1055 1 14 LYS H 1 15 ASN H . . 3.510 2.477 1.852 2.677 . 0 0 "[ . 1 . 2]" 1
1056 1 15 ASN H 1 15 ASN HB3 . . 3.660 3.584 3.413 3.758 0.098 13 0 "[ . 1 . 2]" 1
1057 1 15 ASN H 1 16 ASN HD22 . . 5.010 4.774 3.498 5.080 0.070 16 0 "[ . 1 . 2]" 1
1058 1 15 ASN H 1 16 ASN H . . 3.330 1.886 1.812 1.997 . 0 0 "[ . 1 . 2]" 1
1059 1 13 LEU H 1 15 ASN H . . 4.630 4.247 3.033 4.720 0.090 7 0 "[ . 1 . 2]" 1
1060 1 16 ASN H 1 16 ASN HD22 . . 3.930 3.671 3.498 4.102 0.172 15 0 "[ . 1 . 2]" 1
1061 1 14 LYS HA 1 16 ASN H . . 5.450 5.247 4.611 5.405 . 0 0 "[ . 1 . 2]" 1
1062 1 13 LEU H 1 16 ASN H . . 4.860 4.649 3.354 4.918 0.058 13 0 "[ . 1 . 2]" 1
1063 1 14 LYS HB3 1 16 ASN H . . 4.670 3.891 3.385 4.693 0.023 15 0 "[ . 1 . 2]" 1
1064 1 47 ASP H 1 48 ASN H . . 3.940 2.882 1.857 3.576 . 0 0 "[ . 1 . 2]" 1
1065 1 48 ASN H 1 48 ASN HB3 . . 3.720 2.663 2.217 3.494 . 0 0 "[ . 1 . 2]" 1
1066 1 48 ASN H 1 48 ASN HD22 . . 4.440 3.615 2.790 4.522 0.082 18 0 "[ . 1 . 2]" 1
1067 1 48 ASN H 1 48 ASN HD21 . . 4.440 2.333 1.886 3.163 . 0 0 "[ . 1 . 2]" 1
1068 1 52 ILE HB 1 53 ASN H . . 3.990 2.151 1.869 2.694 . 0 0 "[ . 1 . 2]" 1
1069 1 52 ILE MD 1 53 ASN H . . 3.790 3.406 3.087 4.259 0.469 6 0 "[ . 1 . 2]" 1
1070 1 52 ILE MG 1 53 ASN H . . 3.610 3.255 2.715 3.702 0.092 3 0 "[ . 1 . 2]" 1
1071 1 59 SER HA 1 60 ASN H . . 3.440 3.254 2.840 3.539 0.099 5 0 "[ . 1 . 2]" 1
1072 1 60 ASN H 1 60 ASN HB3 . . 4.010 3.215 2.936 3.954 . 0 0 "[ . 1 . 2]" 1
1073 1 60 ASN H 1 153 ILE MD . . 4.620 3.733 3.573 4.073 . 0 0 "[ . 1 . 2]" 1
1074 1 60 ASN H 1 61 SER H . . 4.330 2.928 2.623 3.178 . 0 0 "[ . 1 . 2]" 1
1075 1 60 ASN H 1 60 ASN HD21 . . 4.400 3.489 3.012 4.379 . 0 0 "[ . 1 . 2]" 1
1076 1 121 GLY H 1 122 ASN H . . 4.060 3.595 2.628 4.249 0.189 9 0 "[ . 1 . 2]" 1
1077 1 122 ASN H 1 122 ASN HB3 . . 3.950 3.531 2.934 4.007 0.057 18 0 "[ . 1 . 2]" 1
1078 1 125 ASN H 1 126 ASN H . . 3.570 2.322 1.899 2.638 . 0 0 "[ . 1 . 2]" 1
1079 1 124 ASP HA 1 125 ASN H . . 3.530 2.470 2.141 2.738 . 0 0 "[ . 1 . 2]" 1
1080 1 90 ILE MG 1 125 ASN H . . 3.760 2.648 2.098 3.043 . 0 0 "[ . 1 . 2]" 1
1081 1 90 ILE HB 1 125 ASN H . . 5.500 5.257 4.333 5.693 0.193 19 0 "[ . 1 . 2]" 1
1082 1 124 ASP H 1 125 ASN H . . 5.350 4.416 3.994 4.637 . 0 0 "[ . 1 . 2]" 1
1083 1 125 ASN H 1 127 SER H . . 4.560 4.198 3.192 4.603 0.043 19 0 "[ . 1 . 2]" 1
1084 1 126 ASN H 1 127 SER H . . 3.260 2.660 2.336 3.012 . 0 0 "[ . 1 . 2]" 1
1085 1 126 ASN H 1 126 ASN HB3 . . 3.830 3.372 2.795 3.689 . 0 0 "[ . 1 . 2]" 1
1086 1 90 ILE MG 1 126 ASN H . . 5.100 3.979 3.326 4.771 . 0 0 "[ . 1 . 2]" 1
1087 1 126 ASN H 1 127 SER HG . . 5.410 4.896 4.066 5.422 0.012 1 0 "[ . 1 . 2]" 1
1088 1 96 TYR H 1 119 PHE H . . 3.580 3.039 2.348 3.578 . 0 0 "[ . 1 . 2]" 1
1089 1 79 ILE MD 1 131 ASN H . . 3.380 2.760 2.051 3.423 0.043 19 0 "[ . 1 . 2]" 1
1090 1 19 PRO HA 1 20 ASP H . . 2.880 2.734 2.649 3.409 0.529 11 1 "[ . 1+ . 2]" 1
1091 1 20 ASP H 1 21 SER H . . 3.420 2.967 1.667 3.403 . 0 0 "[ . 1 . 2]" 1
1092 1 46 LEU H 1 47 ASP H . . 4.950 3.701 2.346 4.647 . 0 0 "[ . 1 . 2]" 1
1093 1 46 LEU HB3 1 47 ASP H . . 4.750 3.614 2.134 4.633 . 0 0 "[ . 1 . 2]" 1
1094 1 46 LEU HG 1 47 ASP H . . 3.960 3.056 1.947 4.184 0.224 19 0 "[ . 1 . 2]" 1
1095 1 46 LEU MD1 1 47 ASP H . . 5.250 3.843 1.954 4.899 . 0 0 "[ . 1 . 2]" 1
1096 1 46 LEU MD2 1 47 ASP H . . 5.250 3.826 1.912 4.957 . 0 0 "[ . 1 . 2]" 1
1097 1 86 ASP H 1 86 ASP HB3 . . 3.690 2.926 2.453 3.755 0.065 19 0 "[ . 1 . 2]" 1
1098 1 85 ARG HA 1 86 ASP H . . 3.010 2.348 2.263 2.538 . 0 0 "[ . 1 . 2]" 1
1099 1 86 ASP H 1 91 GLN H . . 4.660 3.901 3.630 4.432 . 0 0 "[ . 1 . 2]" 1
1100 1 86 ASP H 1 89 HIS H . . 4.380 3.652 3.215 4.013 . 0 0 "[ . 1 . 2]" 1
1101 1 45 ARG H 1 46 LEU H . . 4.670 4.208 2.900 4.649 . 0 0 "[ . 1 . 2]" 1
1102 1 86 ASP H 1 90 ILE HA . . 4.750 3.251 2.455 4.413 . 0 0 "[ . 1 . 2]" 1
1103 1 86 ASP H 1 89 HIS HB3 . . 4.970 4.108 2.926 5.016 0.046 5 0 "[ . 1 . 2]" 1
1104 1 45 ARG H 1 45 ARG HD3 . . 5.500 4.599 3.938 5.004 . 0 0 "[ . 1 . 2]" 1
1105 1 45 ARG H 1 45 ARG HG3 . . 3.910 3.190 2.005 3.774 . 0 0 "[ . 1 . 2]" 1
1106 1 45 ARG H 1 45 ARG HB3 . . 3.980 2.577 2.318 3.180 . 0 0 "[ . 1 . 2]" 1
1107 1 101 SER HA 1 102 ASP H . . 3.300 2.157 2.137 2.209 . 0 0 "[ . 1 . 2]" 1
1108 1 103 ASP H 1 104 GLY H . . 3.280 2.202 2.173 2.321 . 0 0 "[ . 1 . 2]" 1
1109 1 123 LEU H 1 124 ASP H . . 3.270 2.708 2.346 3.454 0.184 3 0 "[ . 1 . 2]" 1
1110 1 161 GLY HA3 1 162 CYS H . . 3.290 2.609 2.455 2.893 . 0 0 "[ . 1 . 2]" 1
1111 1 161 GLY HA2 1 162 CYS H . . 3.230 2.522 2.282 2.674 . 0 0 "[ . 1 . 2]" 1
1112 1 12 GLY H 1 13 LEU H . . 3.110 2.074 1.888 2.536 . 0 0 "[ . 1 . 2]" 1
1113 1 12 GLY H 1 14 LYS H . . 4.210 3.970 2.643 4.366 0.156 11 0 "[ . 1 . 2]" 1
1114 1 11 LEU MD1 1 12 GLY H . . 4.740 2.793 1.913 4.146 . 0 0 "[ . 1 . 2]" 1
1115 1 43 LEU H 1 44 GLY H . . 3.130 2.095 1.886 2.735 . 0 0 "[ . 1 . 2]" 1
1116 1 44 GLY H 1 55 TRP H . . 4.250 4.077 3.216 4.291 0.041 5 0 "[ . 1 . 2]" 1
1117 1 42 HIS HA 1 44 GLY H . . 4.530 3.526 3.338 3.736 . 0 0 "[ . 1 . 2]" 1
1118 1 44 GLY H 1 54 ALA HA . . 4.420 3.495 2.689 4.112 . 0 0 "[ . 1 . 2]" 1
1119 1 44 GLY H 1 156 ARG HA . . 5.500 4.703 4.256 5.105 . 0 0 "[ . 1 . 2]" 1
1120 1 49 GLN HB3 1 50 GLY H . . 4.330 3.955 3.357 4.345 0.015 13 0 "[ . 1 . 2]" 1
1121 1 70 LEU H 1 71 GLY H . . 3.670 2.185 1.882 2.492 . 0 0 "[ . 1 . 2]" 1
1122 1 71 GLY H 1 140 ARG HE . . 4.070 2.861 2.127 3.564 . 0 0 "[ . 1 . 2]" 1
1123 1 70 LEU HB3 1 71 GLY H . . 5.240 3.465 2.692 4.300 . 0 0 "[ . 1 . 2]" 1
1124 1 70 LEU HG 1 71 GLY H . . 4.970 3.928 2.003 4.929 . 0 0 "[ . 1 . 2]" 1
1125 1 78 GLY H 1 161 GLY H . . 5.500 5.504 5.337 5.643 0.143 17 0 "[ . 1 . 2]" 1
1126 1 78 GLY H 1 160 LEU H . . 3.870 3.635 3.384 3.804 . 0 0 "[ . 1 . 2]" 1
1127 1 76 VAL HB 1 78 GLY H . . 3.030 2.828 2.654 2.934 . 0 0 "[ . 1 . 2]" 1
1128 1 78 GLY H 1 79 ILE MG . . 4.200 3.538 3.200 3.777 . 0 0 "[ . 1 . 2]" 1
1129 1 78 GLY H 1 79 ILE H . . 4.560 4.296 4.093 4.377 . 0 0 "[ . 1 . 2]" 1
1130 1 78 GLY HA3 1 79 ILE H . . 3.240 2.794 2.625 3.010 . 0 0 "[ . 1 . 2]" 1
1131 1 78 GLY HA2 1 79 ILE H . . 3.240 2.360 2.211 2.503 . 0 0 "[ . 1 . 2]" 1
1132 1 101 SER HA 1 104 GLY H . . 4.050 3.900 3.697 4.096 0.046 12 0 "[ . 1 . 2]" 1
1133 1 104 GLY H 1 106 GLN H . . 4.130 3.270 3.020 3.724 . 0 0 "[ . 1 . 2]" 1
1134 1 102 ASP H 1 104 GLY H . . 4.470 3.314 3.019 3.511 . 0 0 "[ . 1 . 2]" 1
1135 1 104 GLY H 1 105 VAL HA . . 5.120 5.020 4.930 5.152 0.032 18 0 "[ . 1 . 2]" 1
1136 1 114 GLY H 1 115 SER H . . 2.980 2.247 1.718 3.228 0.248 7 0 "[ . 1 . 2]" 1
1137 1 113 GLN HB3 1 114 GLY H . . 5.360 3.988 2.108 4.659 . 0 0 "[ . 1 . 2]" 1
1138 1 113 GLN HG3 1 114 GLY H . . 4.770 3.502 1.926 4.758 . 0 0 "[ . 1 . 2]" 1
1139 1 113 GLN H 1 114 GLY H . . 4.630 2.298 1.893 2.762 . 0 0 "[ . 1 . 2]" 1
1140 1 120 GLN HA 1 121 GLY H . . 2.980 2.233 2.177 2.378 . 0 0 "[ . 1 . 2]" 1
1141 1 94 ALA MB 1 121 GLY H . . 4.260 3.086 2.561 3.672 . 0 0 "[ . 1 . 2]" 1
1142 1 120 GLN HB3 1 121 GLY H . . 3.930 3.619 2.776 4.120 0.190 8 0 "[ . 1 . 2]" 1
1143 1 120 GLN HG3 1 121 GLY H . . 5.050 4.684 3.755 5.047 . 0 0 "[ . 1 . 2]" 1
1144 1 137 PHE HA 1 138 MET H . . 3.020 2.397 2.140 2.537 . 0 0 "[ . 1 . 2]" 1
1145 1 8 SER HA 1 160 LEU QD . . 4.160 3.453 2.694 3.957 . 0 0 "[ . 1 . 2]" 1
1146 1 9 GLU H 1 160 LEU QD . . 4.040 3.981 3.750 4.070 0.030 10 0 "[ . 1 . 2]" 1
1147 1 9 GLU H 1 163 LEU QD . . 5.440 4.662 3.748 5.448 0.008 5 0 "[ . 1 . 2]" 1
1148 1 10 PRO HA 1 11 LEU QD . . 4.850 3.194 2.619 4.171 . 0 0 "[ . 1 . 2]" 1
1149 1 10 PRO HA 1 159 LEU QD . . 5.440 5.107 4.219 5.557 0.117 3 0 "[ . 1 . 2]" 1
1150 1 10 PRO HA 1 160 LEU QD . . 3.380 2.817 1.970 3.396 0.016 10 0 "[ . 1 . 2]" 1
1151 1 11 LEU H 1 11 LEU QD . . 3.270 2.212 1.658 3.399 0.129 8 0 "[ . 1 . 2]" 1
1152 1 11 LEU HA 1 11 LEU QD . . 4.090 3.188 3.000 3.465 . 0 0 "[ . 1 . 2]" 1
1153 1 11 LEU HA 1 12 GLY QA . . 5.170 4.169 4.015 4.242 . 0 0 "[ . 1 . 2]" 1
1154 1 11 LEU QD 1 12 GLY H . . 3.700 2.193 1.910 2.971 . 0 0 "[ . 1 . 2]" 1
1155 1 11 LEU QD 1 12 GLY QA . . 3.880 2.750 2.409 3.644 . 0 0 "[ . 1 . 2]" 1
1156 1 11 LEU QD 1 13 LEU H . . 4.200 3.705 3.132 4.035 . 0 0 "[ . 1 . 2]" 1
1157 1 11 LEU QD 1 13 LEU HA . . 5.060 5.091 4.926 5.211 0.151 11 0 "[ . 1 . 2]" 1
1158 1 11 LEU QD 1 18 ILE H . . 5.050 4.023 3.466 4.459 . 0 0 "[ . 1 . 2]" 1
1159 1 11 LEU QD 1 45 ARG HA . . 5.160 4.130 3.227 4.998 . 0 0 "[ . 1 . 2]" 1
1160 1 11 LEU QD 1 45 ARG HB3 . . 5.200 4.416 3.271 5.213 0.013 9 0 "[ . 1 . 2]" 1
1161 1 12 GLY H 1 13 LEU QD . . 4.240 3.382 2.969 3.889 . 0 0 "[ . 1 . 2]" 1
1162 1 12 GLY QA 1 14 LYS H . . 4.550 3.351 3.169 3.560 . 0 0 "[ . 1 . 2]" 1
1163 1 12 GLY QA 1 17 THR H . . 3.450 2.178 1.943 2.519 . 0 0 "[ . 1 . 2]" 1
1164 1 12 GLY QA 1 17 THR HB . . 4.920 4.797 4.293 5.064 0.144 11 0 "[ . 1 . 2]" 1
1165 1 12 GLY QA 1 17 THR MG . . 4.330 4.046 3.556 4.386 0.056 15 0 "[ . 1 . 2]" 1
1166 1 12 GLY QA 1 18 ILE H . . 3.680 1.908 1.829 2.063 . 0 0 "[ . 1 . 2]" 1
1167 1 13 LEU H 1 13 LEU QD . . 3.590 3.226 1.963 3.600 0.010 15 0 "[ . 1 . 2]" 1
1168 1 13 LEU HA 1 13 LEU QD . . 3.410 2.290 2.009 2.657 . 0 0 "[ . 1 . 2]" 1
1169 1 13 LEU QD 1 14 LYS H . . 4.920 4.329 3.727 4.600 . 0 0 "[ . 1 . 2]" 1
1170 1 13 LEU QD 1 45 ARG HA . . 4.760 3.220 2.237 4.489 . 0 0 "[ . 1 . 2]" 1
1171 1 13 LEU QD 1 46 LEU H . . 4.110 2.749 1.689 4.124 0.014 16 0 "[ . 1 . 2]" 1
1172 1 15 ASN HA 1 15 ASN QD . . 4.160 3.223 2.280 3.900 . 0 0 "[ . 1 . 2]" 1
1173 1 22 GLN H 1 68 VAL QG . . 4.870 4.741 4.369 4.986 0.116 11 0 "[ . 1 . 2]" 1
1174 1 23 MET H 1 68 VAL QG . . 4.040 3.576 3.123 4.020 . 0 0 "[ . 1 . 2]" 1
1175 1 24 SER H 1 66 LEU QD . . 4.310 2.648 2.002 3.533 . 0 0 "[ . 1 . 2]" 1
1176 1 24 SER H 1 68 VAL QG . . 4.640 3.168 2.716 3.716 . 0 0 "[ . 1 . 2]" 1
1177 1 25 ALA H 1 66 LEU QD . . 3.900 3.302 2.673 3.994 0.094 20 0 "[ . 1 . 2]" 1
1178 1 25 ALA H 1 67 GLN QE . . 4.970 4.583 3.939 5.022 0.052 4 0 "[ . 1 . 2]" 1
1179 1 25 ALA HA 1 66 LEU QD . . 4.230 3.159 2.494 3.956 . 0 0 "[ . 1 . 2]" 1
1180 1 25 ALA HA 1 67 GLN QE . . 4.320 2.841 1.899 3.590 . 0 0 "[ . 1 . 2]" 1
1181 1 25 ALA MB 1 66 LEU QD . . 3.070 1.931 1.769 2.237 . 0 0 "[ . 1 . 2]" 1
1182 1 26 SER H 1 66 LEU QD . . 4.950 4.641 4.257 4.970 0.020 7 0 "[ . 1 . 2]" 1
1183 1 26 SER H 1 67 GLN QE . . 4.670 3.770 2.353 4.677 0.007 17 0 "[ . 1 . 2]" 1
1184 1 36 ALA MB 1 38 GLY QA . . 4.070 3.830 3.327 4.078 0.008 10 0 "[ . 1 . 2]" 1
1185 1 41 PRO HA 1 66 LEU QD . . 4.930 4.501 3.695 4.985 0.055 10 0 "[ . 1 . 2]" 1
1186 1 41 PRO HG3 1 66 LEU QD . . 4.770 4.110 3.069 5.007 0.237 20 0 "[ . 1 . 2]" 1
1187 1 42 HIS H 1 43 LEU QD . . 3.920 3.312 2.781 4.123 0.203 16 0 "[ . 1 . 2]" 1
1188 1 42 HIS HA 1 66 LEU QD . . 5.440 5.097 4.688 5.478 0.038 20 0 "[ . 1 . 2]" 1
1189 1 43 LEU H 1 43 LEU QD . . 3.200 2.444 1.882 3.232 0.032 16 0 "[ . 1 . 2]" 1
1190 1 43 LEU H 1 44 GLY QA . . 5.210 4.047 3.848 4.591 . 0 0 "[ . 1 . 2]" 1
1191 1 43 LEU HA 1 43 LEU QD . . 3.120 2.105 1.819 2.702 . 0 0 "[ . 1 . 2]" 1
1192 1 43 LEU HA 1 44 GLY QA . . 5.230 4.441 4.351 4.511 . 0 0 "[ . 1 . 2]" 1
1193 1 43 LEU QD 1 44 GLY H . . 4.290 3.735 3.331 4.194 . 0 0 "[ . 1 . 2]" 1
1194 1 43 LEU QD 1 44 GLY QA . . 5.280 4.634 4.465 4.785 . 0 0 "[ . 1 . 2]" 1
1195 1 43 LEU QD 1 52 ILE MG . . 2.990 2.585 1.704 3.182 0.192 17 0 "[ . 1 . 2]" 1
1196 1 43 LEU QD 1 53 ASN H . . 4.440 3.875 3.244 4.413 . 0 0 "[ . 1 . 2]" 1
1197 1 43 LEU QD 1 53 ASN HA . . 5.280 4.164 3.470 4.709 . 0 0 "[ . 1 . 2]" 1
1198 1 43 LEU QD 1 54 ALA H . . 3.490 3.158 2.404 3.635 0.145 18 0 "[ . 1 . 2]" 1
1199 1 43 LEU QD 1 54 ALA HA . . 4.760 3.969 3.513 4.360 . 0 0 "[ . 1 . 2]" 1
1200 1 43 LEU QD 1 55 TRP H . . 3.920 3.470 3.083 3.943 0.023 15 0 "[ . 1 . 2]" 1
1201 1 43 LEU QD 1 56 THR H . . 3.880 3.480 2.823 3.913 0.033 9 0 "[ . 1 . 2]" 1
1202 1 44 GLY QA 1 54 ALA HA . . 3.940 3.203 2.418 3.753 . 0 0 "[ . 1 . 2]" 1
1203 1 44 GLY QA 1 54 ALA MB . . 4.880 3.965 3.401 4.459 . 0 0 "[ . 1 . 2]" 1
1204 1 44 GLY QA 1 55 TRP H . . 5.030 4.518 3.677 4.895 . 0 0 "[ . 1 . 2]" 1
1205 1 44 GLY QA 1 156 ARG HA . . 4.290 4.267 3.405 4.517 0.227 8 0 "[ . 1 . 2]" 1
1206 1 46 LEU QD 1 47 ASP H . . 4.370 3.197 1.909 4.386 0.016 19 0 "[ . 1 . 2]" 1
1207 1 47 ASP H 1 48 ASN QD . . 4.190 3.935 2.929 4.420 0.230 19 0 "[ . 1 . 2]" 1
1208 1 48 ASN H 1 48 ASN QD . . 3.700 2.291 1.858 3.101 . 0 0 "[ . 1 . 2]" 1
1209 1 49 GLN H 1 50 GLY QA . . 5.040 4.498 3.857 5.222 0.182 19 0 "[ . 1 . 2]" 1
1210 1 49 GLN HA 1 50 GLY QA . . 5.270 4.294 3.946 4.506 . 0 0 "[ . 1 . 2]" 1
1211 1 50 GLY QA 1 52 ILE H . . 4.090 3.531 3.353 3.635 . 0 0 "[ . 1 . 2]" 1
1212 1 50 GLY QA 1 52 ILE MD . . 4.070 3.217 2.869 4.225 0.155 6 0 "[ . 1 . 2]" 1
1213 1 55 TRP H 1 66 LEU QD . . 5.440 4.839 4.283 5.487 0.047 20 0 "[ . 1 . 2]" 1
1214 1 55 TRP HB3 1 66 LEU QD . . 4.430 3.226 2.736 3.591 . 0 0 "[ . 1 . 2]" 1
1215 1 56 THR HA 1 93 VAL QG . . 5.440 5.329 5.092 5.527 0.087 5 0 "[ . 1 . 2]" 1
1216 1 62 ALA HA 1 147 VAL QG . . 5.260 4.788 3.904 5.177 . 0 0 "[ . 1 . 2]" 1
1217 1 62 ALA MB 1 147 VAL QG . . 3.470 3.203 2.262 3.531 0.061 8 0 "[ . 1 . 2]" 1
1218 1 65 TRP HA 1 66 LEU QD . . 5.440 5.133 4.826 5.205 . 0 0 "[ . 1 . 2]" 1
1219 1 65 TRP HA 1 144 VAL QG . . 4.690 4.434 3.522 4.923 0.233 20 0 "[ . 1 . 2]" 1
1220 1 66 LEU H 1 66 LEU QD . . 4.280 3.818 3.614 3.894 . 0 0 "[ . 1 . 2]" 1
1221 1 66 LEU HA 1 66 LEU QD . . 3.290 2.509 2.033 3.084 . 0 0 "[ . 1 . 2]" 1
1222 1 66 LEU QD 1 67 GLN H . . 3.630 2.796 2.008 3.526 . 0 0 "[ . 1 . 2]" 1
1223 1 66 LEU QD 1 144 VAL H . . 5.440 4.417 3.702 4.841 . 0 0 "[ . 1 . 2]" 1
1224 1 67 GLN H 1 67 GLN QE . . 4.310 3.009 1.928 3.958 . 0 0 "[ . 1 . 2]" 1
1225 1 67 GLN HA 1 68 VAL QG . . 4.200 3.384 3.102 3.621 . 0 0 "[ . 1 . 2]" 1
1226 1 68 VAL H 1 68 VAL QG . . 3.190 2.581 2.321 2.833 . 0 0 "[ . 1 . 2]" 1
1227 1 68 VAL QG 1 69 ASP H . . 3.270 2.777 2.512 3.266 . 0 0 "[ . 1 . 2]" 1
1228 1 68 VAL QG 1 70 LEU HG . . 4.640 4.218 3.750 4.676 0.036 20 0 "[ . 1 . 2]" 1
1229 1 68 VAL QG 1 70 LEU QD . . 3.390 2.135 1.807 3.211 . 0 0 "[ . 1 . 2]" 1
1230 1 68 VAL QG 1 141 TYR HA . . 5.160 4.315 4.032 4.868 . 0 0 "[ . 1 . 2]" 1
1231 1 68 VAL QG 1 142 VAL H . . 3.650 3.693 3.652 3.763 0.113 18 0 "[ . 1 . 2]" 1
1232 1 68 VAL QG 1 142 VAL MG2 . . 3.820 2.262 1.902 2.633 . 0 0 "[ . 1 . 2]" 1
1233 1 70 LEU H 1 70 LEU QD . . 3.540 2.549 2.000 2.919 . 0 0 "[ . 1 . 2]" 1
1234 1 70 LEU H 1 71 GLY QA . . 5.330 3.943 3.729 4.195 . 0 0 "[ . 1 . 2]" 1
1235 1 70 LEU HA 1 70 LEU QD . . 3.970 2.695 1.978 3.326 . 0 0 "[ . 1 . 2]" 1
1236 1 70 LEU QD 1 71 GLY H . . 4.530 3.550 2.915 3.875 . 0 0 "[ . 1 . 2]" 1
1237 1 70 LEU QD 1 73 GLN HA . . 4.590 4.094 3.395 4.684 0.094 14 0 "[ . 1 . 2]" 1
1238 1 70 LEU QD 1 74 ARG H . . 3.950 3.021 2.526 4.038 0.088 15 0 "[ . 1 . 2]" 1
1239 1 70 LEU QD 1 142 VAL H . . 4.330 3.495 3.230 4.017 . 0 0 "[ . 1 . 2]" 1
1240 1 70 LEU QD 1 142 VAL HA . . 5.440 5.436 5.252 5.502 0.062 18 0 "[ . 1 . 2]" 1
1241 1 71 GLY QA 1 72 THR H . . 3.010 2.890 2.826 2.918 . 0 0 "[ . 1 . 2]" 1
1242 1 71 GLY QA 1 72 THR HB . . 5.310 4.617 4.530 4.716 . 0 0 "[ . 1 . 2]" 1
1243 1 71 GLY QA 1 140 ARG HA . . 5.120 3.861 3.451 4.458 . 0 0 "[ . 1 . 2]" 1
1244 1 71 GLY QA 1 140 ARG HE . . 4.430 2.637 2.232 3.662 . 0 0 "[ . 1 . 2]" 1
1245 1 74 ARG HA 1 163 LEU QD . . 5.330 4.709 3.019 5.098 . 0 0 "[ . 1 . 2]" 1
1246 1 74 ARG HE 1 163 LEU QD . . 3.740 2.948 1.914 3.699 . 0 0 "[ . 1 . 2]" 1
1247 1 75 GLN H 1 163 LEU QD . . 5.130 4.448 2.015 4.874 . 0 0 "[ . 1 . 2]" 1
1248 1 77 THR H 1 78 GLY QA . . 4.360 3.969 3.879 4.189 . 0 0 "[ . 1 . 2]" 1
1249 1 77 THR HA 1 78 GLY QA . . 5.210 4.070 4.035 4.117 . 0 0 "[ . 1 . 2]" 1
1250 1 77 THR HB 1 78 GLY QA . . 4.500 4.100 4.004 4.242 . 0 0 "[ . 1 . 2]" 1
1251 1 77 THR MG 1 78 GLY QA . . 4.740 4.444 4.081 4.757 0.017 1 0 "[ . 1 . 2]" 1
1252 1 78 GLY H 1 160 LEU QD . . 4.340 4.292 3.792 4.408 0.068 9 0 "[ . 1 . 2]" 1
1253 1 78 GLY QA 1 79 ILE MG . . 3.870 3.391 2.941 3.786 . 0 0 "[ . 1 . 2]" 1
1254 1 78 GLY QA 1 79 ILE MD . . 5.340 4.389 2.852 5.175 . 0 0 "[ . 1 . 2]" 1
1255 1 78 GLY QA 1 132 ILE HA . . 4.210 3.217 2.367 3.889 . 0 0 "[ . 1 . 2]" 1
1256 1 78 GLY QA 1 133 PHE H . . 4.240 3.679 1.869 4.245 0.005 1 0 "[ . 1 . 2]" 1
1257 1 78 GLY QA 1 133 PHE QD . . 5.340 4.542 3.747 5.415 0.075 4 0 "[ . 1 . 2]" 1
1258 1 78 GLY QA 1 134 GLU H . . 5.340 4.591 3.665 5.408 0.068 10 0 "[ . 1 . 2]" 1
1259 1 82 GLN H 1 155 LEU QD . . 4.830 3.600 2.985 4.260 . 0 0 "[ . 1 . 2]" 1
1260 1 82 GLN HA 1 82 GLN QE . . 4.080 3.954 3.633 4.207 0.127 14 0 "[ . 1 . 2]" 1
1261 1 83 GLY QA 1 92 TYR HA . . 3.920 3.092 2.568 3.787 . 0 0 "[ . 1 . 2]" 1
1262 1 83 GLY QA 1 93 VAL H . . 4.820 4.005 3.472 4.757 . 0 0 "[ . 1 . 2]" 1
1263 1 83 GLY QA 1 125 ASN HA . . 4.080 2.421 1.968 2.911 . 0 0 "[ . 1 . 2]" 1
1264 1 83 GLY QA 1 154 THR HB . . 4.950 4.420 4.074 4.616 . 0 0 "[ . 1 . 2]" 1
1265 1 88 GLY QA 1 89 HIS HA . . 5.330 3.984 3.963 4.021 . 0 0 "[ . 1 . 2]" 1
1266 1 92 TYR HA 1 93 VAL QG . . 3.900 3.286 3.128 3.417 . 0 0 "[ . 1 . 2]" 1
1267 1 93 VAL H 1 93 VAL QG . . 3.550 2.128 1.942 2.282 . 0 0 "[ . 1 . 2]" 1
1268 1 93 VAL HB 1 155 LEU QD . . 4.810 2.832 1.863 4.488 . 0 0 "[ . 1 . 2]" 1
1269 1 93 VAL QG 1 95 SER H . . 4.380 3.463 3.005 3.822 . 0 0 "[ . 1 . 2]" 1
1270 1 93 VAL QG 1 96 TYR H . . 5.090 4.445 4.211 4.551 . 0 0 "[ . 1 . 2]" 1
1271 1 93 VAL QG 1 96 TYR HA . . 4.180 4.016 3.644 4.273 0.093 16 0 "[ . 1 . 2]" 1
1272 1 93 VAL QG 1 146 PRO HA . . 3.810 3.483 3.203 4.041 0.231 6 0 "[ . 1 . 2]" 1
1273 1 93 VAL QG 1 147 VAL H . . 4.210 3.761 3.404 4.416 0.206 6 0 "[ . 1 . 2]" 1
1274 1 93 VAL QG 1 148 SER H . . 4.330 3.783 3.365 4.479 0.149 16 0 "[ . 1 . 2]" 1
1275 1 93 VAL QG 1 149 TRP H . . 5.440 4.108 3.630 5.220 . 0 0 "[ . 1 . 2]" 1
1276 1 93 VAL QG 1 153 ILE H . . 4.620 4.364 4.028 4.679 0.059 5 0 "[ . 1 . 2]" 1
1277 1 93 VAL QG 1 153 ILE HA . . 3.410 2.119 1.914 2.439 . 0 0 "[ . 1 . 2]" 1
1278 1 93 VAL QG 1 153 ILE MG . . 3.030 2.195 1.912 2.513 . 0 0 "[ . 1 . 2]" 1
1279 1 93 VAL QG 1 153 ILE MD . . 4.310 3.911 2.951 4.278 . 0 0 "[ . 1 . 2]" 1
1280 1 93 VAL QG 1 154 THR H . . 3.330 2.776 2.552 2.951 . 0 0 "[ . 1 . 2]" 1
1281 1 93 VAL QG 1 154 THR HA . . 4.770 4.384 4.137 4.559 . 0 0 "[ . 1 . 2]" 1
1282 1 93 VAL QG 1 154 THR HB . . 5.050 5.058 4.715 5.286 0.236 7 0 "[ . 1 . 2]" 1
1283 1 93 VAL QG 1 155 LEU H . . 4.480 4.036 3.708 4.300 . 0 0 "[ . 1 . 2]" 1
1284 1 93 VAL QG 1 155 LEU QD . . 3.250 1.837 1.502 2.593 . 0 0 "[ . 1 . 2]" 1
1285 1 94 ALA HA 1 121 GLY QA . . 4.500 3.315 2.447 4.509 0.009 6 0 "[ . 1 . 2]" 1
1286 1 94 ALA MB 1 121 GLY QA . . 4.190 4.087 3.275 4.306 0.116 14 0 "[ . 1 . 2]" 1
1287 1 95 SER H 1 118 VAL QG . . 5.130 4.909 4.121 5.282 0.152 7 0 "[ . 1 . 2]" 1
1288 1 95 SER H 1 147 VAL QG . . 5.440 4.915 4.017 5.387 . 0 0 "[ . 1 . 2]" 1
1289 1 96 TYR H 1 118 VAL QG . . 3.680 2.966 2.179 3.667 . 0 0 "[ . 1 . 2]" 1
1290 1 96 TYR HA 1 147 VAL QG . . 3.190 3.079 2.574 3.223 0.033 17 0 "[ . 1 . 2]" 1
1291 1 97 LYS H 1 118 VAL QG . . 4.200 3.496 2.515 4.241 0.041 8 0 "[ . 1 . 2]" 1
1292 1 97 LYS H 1 144 VAL QG . . 3.930 3.878 3.571 4.224 0.294 10 0 "[ . 1 . 2]" 1
1293 1 97 LYS H 1 147 VAL QG . . 3.840 3.349 2.569 3.703 . 0 0 "[ . 1 . 2]" 1
1294 1 97 LYS HA 1 118 VAL QG . . 4.150 3.148 2.521 3.866 . 0 0 "[ . 1 . 2]" 1
1295 1 98 VAL H 1 98 VAL QG . . 3.470 2.073 1.874 2.775 . 0 0 "[ . 1 . 2]" 1
1296 1 98 VAL H 1 144 VAL QG . . 4.790 3.921 3.524 4.817 0.027 10 0 "[ . 1 . 2]" 1
1297 1 98 VAL HA 1 144 VAL QG . . 4.180 2.214 1.844 2.794 . 0 0 "[ . 1 . 2]" 1
1298 1 98 VAL QG 1 99 ALA H . . 3.180 2.812 2.518 2.979 . 0 0 "[ . 1 . 2]" 1
1299 1 98 VAL QG 1 99 ALA HA . . 3.900 3.491 3.365 3.814 . 0 0 "[ . 1 . 2]" 1
1300 1 98 VAL QG 1 100 HIS HA . . 5.190 4.721 4.436 4.953 . 0 0 "[ . 1 . 2]" 1
1301 1 98 VAL QG 1 100 HIS HD2 . . 3.890 2.466 2.166 2.816 . 0 0 "[ . 1 . 2]" 1
1302 1 98 VAL QG 1 110 TYR QD . . 3.820 2.864 1.937 3.891 0.071 18 0 "[ . 1 . 2]" 1
1303 1 98 VAL QG 1 119 PHE H . . 4.800 4.170 3.405 4.857 0.057 9 0 "[ . 1 . 2]" 1
1304 1 98 VAL QG 1 119 PHE QD . . 4.670 3.475 2.355 4.669 . 0 0 "[ . 1 . 2]" 1
1305 1 98 VAL QG 1 144 VAL QG . . 3.050 2.179 1.473 2.748 . 0 0 "[ . 1 . 2]" 1
1306 1 99 ALA H 1 144 VAL QG . . 3.600 2.955 2.384 3.582 . 0 0 "[ . 1 . 2]" 1
1307 1 99 ALA HA 1 144 VAL QG . . 5.440 5.127 4.864 5.534 0.094 18 0 "[ . 1 . 2]" 1
1308 1 99 ALA MB 1 109 VAL QG . . 2.920 1.982 1.726 2.941 0.021 18 0 "[ . 1 . 2]" 1
1309 1 100 HIS HA 1 144 VAL QG . . 5.440 5.541 5.468 5.743 0.303 18 0 "[ . 1 . 2]" 1
1310 1 100 HIS HD2 1 144 VAL QG . . 5.200 4.747 4.362 5.150 . 0 0 "[ . 1 . 2]" 1
1311 1 104 GLY H 1 105 VAL QG . . 4.270 3.933 3.663 4.053 . 0 0 "[ . 1 . 2]" 1
1312 1 105 VAL H 1 105 VAL QG . . 3.350 1.909 1.833 1.952 . 0 0 "[ . 1 . 2]" 1
1313 1 105 VAL HA 1 105 VAL QG . . 2.520 2.277 2.214 2.343 . 0 0 "[ . 1 . 2]" 1
1314 1 105 VAL QG 1 106 GLN H . . 3.410 2.132 1.913 2.394 . 0 0 "[ . 1 . 2]" 1
1315 1 105 VAL QG 1 106 GLN HA . . 3.530 3.256 3.091 3.495 . 0 0 "[ . 1 . 2]" 1
1316 1 105 VAL QG 1 106 GLN HG3 . . 3.390 2.118 1.959 2.338 . 0 0 "[ . 1 . 2]" 1
1317 1 105 VAL QG 1 106 GLN QE . . 4.030 3.393 2.912 4.010 . 0 0 "[ . 1 . 2]" 1
1318 1 105 VAL QG 1 107 TRP HE1 . . 4.870 4.235 4.029 4.593 . 0 0 "[ . 1 . 2]" 1
1319 1 106 GLN QE 1 106 GLN HG3 . . 3.450 2.282 2.101 3.332 . 0 0 "[ . 1 . 2]" 1
1320 1 107 TRP HA 1 109 VAL QG . . 5.440 4.760 4.294 5.214 . 0 0 "[ . 1 . 2]" 1
1321 1 109 VAL H 1 109 VAL QG . . 2.600 1.946 1.859 2.395 . 0 0 "[ . 1 . 2]" 1
1322 1 109 VAL HA 1 109 VAL QG . . 2.510 2.278 1.975 2.372 . 0 0 "[ . 1 . 2]" 1
1323 1 109 VAL QG 1 111 GLU H . . 5.430 3.177 1.940 4.014 . 0 0 "[ . 1 . 2]" 1
1324 1 109 VAL QG 1 117 LYS H . . 5.280 4.757 3.844 5.479 0.199 18 0 "[ . 1 . 2]" 1
1325 1 114 GLY QA 1 115 SER HA . . 4.400 4.040 4.004 4.498 0.098 7 0 "[ . 1 . 2]" 1
1326 1 118 VAL H 1 118 VAL QG . . 2.970 1.978 1.831 2.125 . 0 0 "[ . 1 . 2]" 1
1327 1 118 VAL HA 1 118 VAL QG . . 2.720 2.292 1.948 2.423 . 0 0 "[ . 1 . 2]" 1
1328 1 118 VAL QG 1 119 PHE H . . 3.510 2.938 2.201 3.389 . 0 0 "[ . 1 . 2]" 1
1329 1 118 VAL QG 1 119 PHE HA . . 4.350 3.825 3.304 4.381 0.031 5 0 "[ . 1 . 2]" 1
1330 1 118 VAL QG 1 120 GLN H . . 4.930 4.245 3.531 4.950 0.020 12 0 "[ . 1 . 2]" 1
1331 1 118 VAL QG 1 147 VAL QG . . 3.410 2.210 1.657 3.132 . 0 0 "[ . 1 . 2]" 1
1332 1 120 GLN H 1 120 GLN QE . . 4.310 2.927 1.861 4.282 . 0 0 "[ . 1 . 2]" 1
1333 1 120 GLN HA 1 120 GLN QE . . 4.600 3.957 2.570 4.610 0.010 1 0 "[ . 1 . 2]" 1
1334 1 120 GLN HA 1 121 GLY QA . . 5.320 3.914 3.887 4.025 . 0 0 "[ . 1 . 2]" 1
1335 1 120 GLN QE 1 121 GLY H . . 5.340 5.001 3.245 5.409 0.069 10 0 "[ . 1 . 2]" 1
1336 1 121 GLY QA 1 122 ASN H . . 3.100 2.177 2.111 2.400 . 0 0 "[ . 1 . 2]" 1
1337 1 121 GLY QA 1 122 ASN HA . . 4.400 4.029 3.931 4.250 . 0 0 "[ . 1 . 2]" 1
1338 1 123 LEU H 1 123 LEU QD . . 3.990 3.125 2.300 3.636 . 0 0 "[ . 1 . 2]" 1
1339 1 123 LEU HA 1 123 LEU QD . . 2.770 2.463 2.066 2.790 0.020 16 0 "[ . 1 . 2]" 1
1340 1 125 ASN H 1 126 ASN QD . . 5.340 4.657 3.066 5.338 . 0 0 "[ . 1 . 2]" 1
1341 1 126 ASN H 1 126 ASN QD . . 4.160 3.292 2.131 4.050 . 0 0 "[ . 1 . 2]" 1
1342 1 142 VAL HA 1 144 VAL QG . . 5.440 5.118 4.984 5.235 . 0 0 "[ . 1 . 2]" 1
1343 1 142 VAL MG2 1 144 VAL QG . . 3.160 2.881 2.655 3.200 0.040 12 0 "[ . 1 . 2]" 1
1344 1 143 ARG HA 1 144 VAL QG . . 4.330 3.315 3.089 3.487 . 0 0 "[ . 1 . 2]" 1
1345 1 144 VAL H 1 144 VAL QG . . 3.190 2.469 2.026 2.823 . 0 0 "[ . 1 . 2]" 1
1346 1 144 VAL HA 1 144 VAL QG . . 3.080 2.130 2.040 2.436 . 0 0 "[ . 1 . 2]" 1
1347 1 144 VAL QG 1 145 LEU H . . 3.200 2.639 1.972 3.260 0.060 17 0 "[ . 1 . 2]" 1
1348 1 145 LEU H 1 145 LEU QD . . 4.350 3.645 2.344 3.991 . 0 0 "[ . 1 . 2]" 1
1349 1 146 PRO HA 1 147 VAL QG . . 4.340 3.504 3.194 3.641 . 0 0 "[ . 1 . 2]" 1
1350 1 147 VAL H 1 147 VAL QG . . 3.290 2.663 1.889 2.924 . 0 0 "[ . 1 . 2]" 1
1351 1 147 VAL HA 1 147 VAL QG . . 2.770 2.083 2.042 2.224 . 0 0 "[ . 1 . 2]" 1
1352 1 147 VAL QG 1 148 SER H . . 3.240 3.132 1.923 3.307 0.067 8 0 "[ . 1 . 2]" 1
1353 1 147 VAL QG 1 148 SER HA . . 3.950 3.823 3.663 3.975 0.025 20 0 "[ . 1 . 2]" 1
1354 1 155 LEU QD 1 156 ARG H . . 3.900 2.798 2.144 3.250 . 0 0 "[ . 1 . 2]" 1
1355 1 159 LEU H 1 159 LEU QD . . 3.910 2.610 1.638 3.896 . 0 0 "[ . 1 . 2]" 1
1356 1 159 LEU HA 1 159 LEU QD . . 3.750 3.167 1.943 3.461 . 0 0 "[ . 1 . 2]" 1
1357 1 159 LEU QD 1 160 LEU H . . 4.430 3.518 1.867 4.187 . 0 0 "[ . 1 . 2]" 1
1358 1 160 LEU H 1 160 LEU QD . . 4.770 2.781 2.095 3.311 . 0 0 "[ . 1 . 2]" 1
1359 1 160 LEU HA 1 160 LEU QD . . 3.240 2.573 1.932 3.225 . 0 0 "[ . 1 . 2]" 1
1360 1 160 LEU QD 1 161 GLY H . . 4.210 3.808 3.330 4.165 . 0 0 "[ . 1 . 2]" 1
1361 1 163 LEU H 1 163 LEU QD . . 3.890 2.941 1.720 3.210 . 0 0 "[ . 1 . 2]" 1
1362 1 163 LEU HA 1 163 LEU QD . . 2.870 1.944 1.846 2.004 . 0 0 "[ . 1 . 2]" 1
1363 1 163 LEU QD 1 164 GLU HA . . 4.520 4.209 3.864 4.888 0.368 20 0 "[ . 1 . 2]" 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 3
_Distance_constraint_stats_list.Viol_count 42
_Distance_constraint_stats_list.Viol_total 98.005
_Distance_constraint_stats_list.Viol_max 0.339
_Distance_constraint_stats_list.Viol_rms 0.0755
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0817
_Distance_constraint_stats_list.Viol_average_violations_only 0.1167
_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 CYS 4.900 0.339 20 0 "[ . 1 . 2]"
1 162 CYS 4.900 0.339 20 0 "[ . 1 . 2]"
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 CYS SG 1 162 CYS SG . . 2.040 2.030 1.935 2.069 0.029 17 0 "[ . 1 . 2]" 2
2 1 7 CYS SG 1 162 CYS CB . . 3.000 3.125 2.993 3.339 0.339 20 0 "[ . 1 . 2]" 2
3 1 7 CYS CB 1 162 CYS SG . . 3.000 3.117 3.005 3.220 0.220 20 0 "[ . 1 . 2]" 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 99
_Distance_constraint_stats_list.Viol_count 1825
_Distance_constraint_stats_list.Viol_total 7560.716
_Distance_constraint_stats_list.Viol_max 0.632
_Distance_constraint_stats_list.Viol_rms 0.1369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1909
_Distance_constraint_stats_list.Viol_average_violations_only 0.2071
_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 GLU 12.981 0.407 13 0 "[ . 1 . 2]"
1 22 GLN 6.983 0.315 20 0 "[ . 1 . 2]"
1 24 SER 9.008 0.357 1 0 "[ . 1 . 2]"
1 26 SER 10.730 0.394 20 0 "[ . 1 . 2]"
1 55 TRP 22.764 0.477 19 0 "[ . 1 . 2]"
1 57 ALA 9.543 0.399 19 0 "[ . 1 . 2]"
1 65 TRP 10.730 0.394 20 0 "[ . 1 . 2]"
1 66 LEU 11.872 0.341 10 0 "[ . 1 . 2]"
1 67 GLN 9.008 0.357 1 0 "[ . 1 . 2]"
1 68 VAL 9.964 0.296 18 0 "[ . 1 . 2]"
1 69 ASP 6.983 0.315 20 0 "[ . 1 . 2]"
1 70 LEU 7.208 0.362 20 0 "[ . 1 . 2]"
1 71 GLY 12.166 0.489 14 0 "[ . 1 . 2]"
1 74 ARG 16.668 0.406 17 0 "[ . 1 . 2]"
1 76 VAL 22.930 0.579 20 12 "[ ***-* **1* .** *+]"
1 77 THR 1.254 0.189 14 0 "[ . 1 . 2]"
1 78 GLY 10.641 0.632 19 10 "[ ** . * 1****-* +2]"
1 79 ILE 23.610 0.534 17 2 "[ - . 1 . + 2]"
1 80 ILE 13.508 0.353 9 0 "[ . 1 . 2]"
1 81 THR 19.608 0.606 19 1 "[ . 1 . +2]"
1 82 GLN 16.703 0.403 6 0 "[ . 1 . 2]"
1 84 ALA 22.169 0.461 19 0 "[ . 1 . 2]"
1 91 GLN 9.925 0.364 19 0 "[ . 1 . 2]"
1 92 TYR 19.059 0.500 16 1 "[ . 1 .+ 2]"
1 94 ALA 8.235 0.325 19 0 "[ . 1 . 2]"
1 95 SER 19.127 0.391 8 0 "[ . 1 . 2]"
1 96 TYR 14.608 0.364 18 0 "[ . 1 . 2]"
1 97 LYS 17.161 0.424 9 0 "[ . 1 . 2]"
1 99 ALA 7.287 0.286 5 0 "[ . 1 . 2]"
1 100 HIS 9.213 0.399 18 0 "[ . 1 . 2]"
1 101 SER 23.039 0.415 6 0 "[ . 1 . 2]"
1 108 THR 9.213 0.399 18 0 "[ . 1 . 2]"
1 119 PHE 14.608 0.364 18 0 "[ . 1 . 2]"
1 121 GLY 6.412 0.325 19 0 "[ . 1 . 2]"
1 129 LYS 19.608 0.606 19 1 "[ . 1 . +2]"
1 131 ASN 23.610 0.534 17 2 "[ - . 1 . + 2]"
1 137 PHE 22.930 0.579 20 12 "[ ***-* **1* .** *+]"
1 139 ALA 16.668 0.406 17 0 "[ . 1 . 2]"
1 140 ARG 28.944 0.489 14 0 "[ . 1 . 2]"
1 141 TYR 13.469 0.415 6 0 "[ . 1 . 2]"
1 142 VAL 9.964 0.296 18 0 "[ . 1 . 2]"
1 143 ARG 7.287 0.286 5 0 "[ . 1 . 2]"
1 144 VAL 11.872 0.341 10 0 "[ . 1 . 2]"
1 145 LEU 17.161 0.424 9 0 "[ . 1 . 2]"
1 147 VAL 2.792 0.210 15 0 "[ . 1 . 2]"
1 148 SER 18.158 0.391 8 0 "[ . 1 . 2]"
1 150 HIS 19.059 0.500 16 1 "[ . 1 .+ 2]"
1 153 ILE 9.543 0.399 19 0 "[ . 1 . 2]"
1 154 THR 12.244 0.461 19 0 "[ . 1 . 2]"
1 155 LEU 22.764 0.477 19 0 "[ . 1 . 2]"
1 156 ARG 16.703 0.403 6 0 "[ . 1 . 2]"
1 158 GLU 13.508 0.353 9 0 "[ . 1 . 2]"
1 160 LEU 11.895 0.632 19 10 "[ ** . * 1****-* +2]"
1 161 GLY 12.981 0.407 13 0 "[ . 1 . 2]"
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 66 LEU H 1 144 VAL O . . 1.800 2.069 2.009 2.141 0.341 10 0 "[ . 1 . 2]" 3
2 1 66 LEU N 1 144 VAL O . . 2.700 2.891 2.748 2.992 0.292 20 0 "[ . 1 . 2]" 3
3 1 68 VAL H 1 142 VAL O . . 1.800 1.848 1.775 2.018 0.218 5 0 "[ . 1 . 2]" 3
4 1 68 VAL N 1 142 VAL O . . 2.700 2.790 2.714 2.993 0.293 5 0 "[ . 1 . 2]" 3
5 1 22 GLN O 1 69 ASP H . . 1.800 2.013 1.830 2.115 0.315 20 0 "[ . 1 . 2]" 3
6 1 22 GLN O 1 69 ASP N . . 2.700 2.837 2.699 2.975 0.275 18 0 "[ . 1 . 2]" 3
7 1 70 LEU H 1 140 ARG O . . 1.800 1.973 1.790 2.109 0.309 20 0 "[ . 1 . 2]" 3
8 1 70 LEU N 1 140 ARG O . . 2.700 2.887 2.733 3.062 0.362 20 0 "[ . 1 . 2]" 3
9 1 74 ARG H 1 139 ALA O . . 1.800 2.126 2.045 2.206 0.406 17 0 "[ . 1 . 2]" 3
10 1 74 ARG N 1 139 ALA O . . 2.700 2.985 2.873 3.070 0.370 19 0 "[ . 1 . 2]" 3
11 1 76 VAL H 1 137 PHE O . . 1.800 1.884 1.781 2.011 0.211 6 0 "[ . 1 . 2]" 3
12 1 76 VAL N 1 137 PHE O . . 2.700 2.803 2.728 2.982 0.282 10 0 "[ . 1 . 2]" 3
13 1 78 GLY N 1 160 LEU O . . 2.700 3.204 3.098 3.332 0.632 19 10 "[ ** . * 1****-* +2]" 3
14 1 79 ILE H 1 131 ASN O . . 1.800 2.152 1.986 2.274 0.474 17 0 "[ . 1 . 2]" 3
15 1 79 ILE N 1 131 ASN O . . 2.700 3.078 2.896 3.234 0.534 17 2 "[ - . 1 . + 2]" 3
16 1 80 ILE H 1 158 GLU O . . 1.800 1.977 1.787 2.135 0.335 15 0 "[ . 1 . 2]" 3
17 1 80 ILE N 1 158 GLU O . . 2.700 2.902 2.761 3.053 0.353 9 0 "[ . 1 . 2]" 3
18 1 81 THR H 1 129 LYS O . . 1.800 1.989 1.829 2.152 0.352 19 0 "[ . 1 . 2]" 3
19 1 81 THR N 1 129 LYS O . . 2.700 2.900 2.739 2.969 0.269 17 0 "[ . 1 . 2]" 3
20 1 82 GLN H 1 156 ARG O . . 1.800 2.142 2.058 2.203 0.403 6 0 "[ . 1 . 2]" 3
21 1 82 GLN N 1 156 ARG O . . 2.700 3.040 2.983 3.093 0.393 6 0 "[ . 1 . 2]" 3
22 1 95 SER H 1 148 SER O . . 1.800 1.994 1.836 2.061 0.261 19 0 "[ . 1 . 2]" 3
23 1 95 SER N 1 148 SER O . . 2.700 2.738 2.674 2.967 0.267 7 0 "[ . 1 . 2]" 3
24 1 96 TYR H 1 119 PHE O . . 1.800 1.988 1.793 2.164 0.364 18 0 "[ . 1 . 2]" 3
25 1 96 TYR N 1 119 PHE O . . 2.700 2.888 2.735 3.010 0.310 19 0 "[ . 1 . 2]" 3
26 1 97 LYS H 1 145 LEU O . . 1.800 1.979 1.805 2.082 0.282 14 0 "[ . 1 . 2]" 3
27 1 97 LYS N 1 145 LEU O . . 2.700 2.890 2.732 3.057 0.357 14 0 "[ . 1 . 2]" 3
28 1 99 ALA H 1 143 ARG O . . 1.800 1.908 1.777 2.058 0.258 6 0 "[ . 1 . 2]" 3
29 1 99 ALA N 1 143 ARG O . . 2.700 2.812 2.688 2.986 0.286 5 0 "[ . 1 . 2]" 3
30 1 100 HIS H 1 108 THR O . . 1.800 1.981 1.791 2.171 0.371 18 0 "[ . 1 . 2]" 3
31 1 100 HIS N 1 108 THR O . . 2.700 2.907 2.742 3.099 0.399 18 0 "[ . 1 . 2]" 3
32 1 101 SER H 1 141 TYR O . . 1.800 1.972 1.823 2.028 0.228 6 0 "[ . 1 . 2]" 3
33 1 101 SER N 1 141 TYR O . . 2.700 2.732 2.698 2.885 0.185 6 0 "[ . 1 . 2]" 3
34 1 100 HIS O 1 108 THR H . . 1.800 1.809 1.732 2.005 0.205 8 0 "[ . 1 . 2]" 3
35 1 100 HIS O 1 108 THR N . . 2.700 2.750 2.585 2.926 0.226 8 0 "[ . 1 . 2]" 3
36 1 96 TYR O 1 119 PHE H . . 1.800 1.996 1.848 2.075 0.275 18 0 "[ . 1 . 2]" 3
37 1 96 TYR O 1 119 PHE N . . 2.700 2.858 2.732 3.034 0.334 14 0 "[ . 1 . 2]" 3
38 1 76 VAL O 1 137 PHE H . . 1.800 2.309 2.159 2.379 0.579 20 12 "[ ***-* **1* .** *+]" 3
39 1 76 VAL O 1 137 PHE N . . 2.700 3.150 3.034 3.252 0.552 6 3 "[ * -.+ 1 . 2]" 3
40 1 74 ARG O 1 139 ALA H . . 1.800 1.967 1.793 2.062 0.262 14 0 "[ . 1 . 2]" 3
41 1 74 ARG O 1 139 ALA N . . 2.700 2.754 2.693 2.925 0.225 12 0 "[ . 1 . 2]" 3
42 1 101 SER O 1 141 TYR H . . 1.800 2.013 1.844 2.157 0.357 8 0 "[ . 1 . 2]" 3
43 1 101 SER O 1 141 TYR N . . 2.700 2.956 2.787 3.115 0.415 6 0 "[ . 1 . 2]" 3
44 1 68 VAL O 1 142 VAL H . . 1.800 1.990 1.794 2.081 0.281 10 0 "[ . 1 . 2]" 3
45 1 68 VAL O 1 142 VAL N . . 2.700 2.865 2.721 2.996 0.296 18 0 "[ . 1 . 2]" 3
46 1 99 ALA O 1 143 ARG H . . 1.800 1.885 1.786 2.032 0.232 10 0 "[ . 1 . 2]" 3
47 1 99 ALA O 1 143 ARG N . . 2.700 2.755 2.679 2.867 0.167 5 0 "[ . 1 . 2]" 3
48 1 66 LEU O 1 144 VAL H . . 1.800 1.890 1.758 2.033 0.233 11 0 "[ . 1 . 2]" 3
49 1 66 LEU O 1 144 VAL N . . 2.700 2.735 2.672 2.782 0.082 8 0 "[ . 1 . 2]" 3
50 1 97 LYS O 1 145 LEU H . . 1.800 2.048 1.840 2.224 0.424 9 0 "[ . 1 . 2]" 3
51 1 97 LYS O 1 145 LEU N . . 2.700 2.940 2.698 3.097 0.397 9 0 "[ . 1 . 2]" 3
52 1 95 SER O 1 147 VAL H . . 1.800 1.840 1.781 1.999 0.199 15 0 "[ . 1 . 2]" 3
53 1 95 SER O 1 147 VAL N . . 2.700 2.793 2.734 2.910 0.210 15 0 "[ . 1 . 2]" 3
54 1 82 GLN O 1 156 ARG H . . 1.800 1.927 1.790 2.123 0.323 1 0 "[ . 1 . 2]" 3
55 1 82 GLN O 1 156 ARG N . . 2.700 2.718 2.671 2.850 0.150 9 0 "[ . 1 . 2]" 3
56 1 80 ILE O 1 158 GLU H . . 1.800 1.963 1.790 2.078 0.278 5 0 "[ . 1 . 2]" 3
57 1 80 ILE O 1 158 GLU N . . 2.700 2.830 2.683 3.013 0.313 18 0 "[ . 1 . 2]" 3
58 1 78 GLY O 1 160 LEU H . . 1.800 1.800 1.766 1.947 0.147 19 0 "[ . 1 . 2]" 3
59 1 78 GLY O 1 160 LEU N . . 2.700 2.705 2.654 2.774 0.074 19 0 "[ . 1 . 2]" 3
60 1 24 SER H 1 67 GLN O . . 1.800 2.043 1.896 2.157 0.357 1 0 "[ . 1 . 2]" 3
61 1 24 SER N 1 67 GLN O . . 2.700 2.761 2.688 2.896 0.196 2 0 "[ . 1 . 2]" 3
62 1 26 SER H 1 65 TRP O . . 1.800 2.063 2.008 2.194 0.394 20 0 "[ . 1 . 2]" 3
63 1 26 SER N 1 65 TRP O . . 2.700 2.974 2.885 3.062 0.362 20 0 "[ . 1 . 2]" 3
64 1 55 TRP H 1 155 LEU O . . 1.800 2.168 2.093 2.267 0.467 19 0 "[ . 1 . 2]" 3
65 1 55 TRP N 1 155 LEU O . . 2.700 2.820 2.720 2.967 0.267 8 0 "[ . 1 . 2]" 3
66 1 57 ALA H 1 153 ILE O . . 1.800 2.108 2.039 2.199 0.399 19 0 "[ . 1 . 2]" 3
67 1 57 ALA N 1 153 ILE O . . 2.700 2.869 2.818 2.966 0.266 5 0 "[ . 1 . 2]" 3
68 1 24 SER O 1 67 GLN H . . 1.800 1.873 1.796 2.016 0.216 11 0 "[ . 1 . 2]" 3
69 1 24 SER O 1 67 GLN N . . 2.700 2.773 2.734 2.947 0.247 15 0 "[ . 1 . 2]" 3
70 1 84 ALA H 1 154 THR O . . 1.800 2.159 2.110 2.261 0.461 19 0 "[ . 1 . 2]" 3
71 1 84 ALA N 1 154 THR O . . 2.700 2.953 2.795 3.127 0.427 19 0 "[ . 1 . 2]" 3
72 1 84 ALA O 1 91 GLN H . . 1.800 2.083 2.014 2.164 0.364 19 0 "[ . 1 . 2]" 3
73 1 84 ALA O 1 91 GLN N . . 2.700 2.913 2.856 3.010 0.310 7 0 "[ . 1 . 2]" 3
74 1 92 TYR H 1 150 HIS O . . 1.800 2.166 2.116 2.236 0.436 16 0 "[ . 1 . 2]" 3
75 1 92 TYR N 1 150 HIS O . . 2.700 3.129 3.079 3.200 0.500 16 1 "[ . 1 .+ 2]" 3
76 1 94 ALA O 1 121 GLY H . . 1.800 2.062 1.825 2.125 0.325 19 0 "[ . 1 . 2]" 3
77 1 94 ALA O 1 121 GLY N . . 2.700 2.757 2.680 3.004 0.304 6 0 "[ . 1 . 2]" 3
78 1 81 THR O 1 129 LYS H . . 1.800 2.086 2.008 2.406 0.606 19 1 "[ . 1 . +2]" 3
79 1 81 THR O 1 129 LYS N . . 2.700 3.006 2.879 3.137 0.437 19 0 "[ . 1 . 2]" 3
80 1 79 ILE O 1 131 ASN H . . 1.800 2.023 1.785 2.216 0.416 14 0 "[ . 1 . 2]" 3
81 1 79 ILE O 1 131 ASN N . . 2.700 2.927 2.702 3.159 0.459 14 0 "[ . 1 . 2]" 3
82 1 92 TYR O 1 150 HIS H . . 1.800 1.938 1.821 2.108 0.308 6 0 "[ . 1 . 2]" 3
83 1 92 TYR O 1 150 HIS N . . 2.700 2.719 2.689 2.788 0.088 20 0 "[ . 1 . 2]" 3
84 1 55 TRP O 1 155 LEU H . . 1.800 2.117 2.010 2.277 0.477 19 0 "[ . 1 . 2]" 3
85 1 55 TRP O 1 155 LEU N . . 2.700 3.034 2.923 3.108 0.408 9 0 "[ . 1 . 2]" 3
86 1 9 GLU O 1 161 GLY H . . 1.800 2.080 1.951 2.207 0.407 13 0 "[ . 1 . 2]" 3
87 1 9 GLU O 1 161 GLY N . . 2.700 2.987 2.831 3.102 0.402 11 0 "[ . 1 . 2]" 3
88 1 9 GLU H 1 161 GLY O . . 1.800 1.835 1.766 2.049 0.249 20 0 "[ . 1 . 2]" 3
89 1 9 GLU N 1 161 GLY O . . 2.700 2.739 2.701 2.932 0.232 20 0 "[ . 1 . 2]" 3
90 1 95 SER O 1 148 SER H . . 1.800 2.067 2.017 2.122 0.322 5 0 "[ . 1 . 2]" 3
91 1 95 SER O 1 148 SER N . . 2.700 3.015 2.928 3.091 0.391 8 0 "[ . 1 . 2]" 3
92 1 71 GLY H 1 140 ARG O . . 1.800 2.077 2.021 2.289 0.489 14 0 "[ . 1 . 2]" 3
93 1 71 GLY N 1 140 ARG O . . 2.700 3.031 2.987 3.173 0.473 14 0 "[ . 1 . 2]" 3
94 1 77 THR H 1 160 LEU O . . 1.800 1.813 1.766 1.936 0.136 14 0 "[ . 1 . 2]" 3
95 1 77 THR N 1 160 LEU O . . 2.700 2.742 2.687 2.889 0.189 14 0 "[ . 1 . 2]" 3
96 1 94 ALA H 1 148 SER O . . 1.800 1.869 1.787 1.978 0.178 14 0 "[ . 1 . 2]" 3
97 1 94 ALA N 1 148 SER O . . 2.700 2.712 2.612 2.823 0.123 14 0 "[ . 1 . 2]" 3
98 1 101 SER O 1 140 ARG H . . 1.800 2.017 1.799 2.122 0.322 6 0 "[ . 1 . 2]" 3
99 1 101 SER O 1 140 ARG N . . 2.700 2.961 2.768 3.037 0.337 6 0 "[ . 1 . 2]" 3
stop_
save_
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