NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511209 |
2ktl   |
16832 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ktl
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 1338
_Distance_constraint_stats_list.Viol_count 1907
_Distance_constraint_stats_list.Viol_total 3721.004
_Distance_constraint_stats_list.Viol_max 1.449
_Distance_constraint_stats_list.Viol_rms 0.0747
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0193
_Distance_constraint_stats_list.Viol_average_violations_only 0.1626
_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 5 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 6 SER 0.000 0.000 . 0 "[ . 1 ]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 12 SER 0.115 0.030 2 0 "[ . 1 ]"
1 14 LEU 0.424 0.172 7 0 "[ . 1 ]"
1 15 SER 0.000 0.000 . 0 "[ . 1 ]"
1 16 GLY 0.648 0.160 7 0 "[ . 1 ]"
1 17 PHE 0.792 0.172 7 0 "[ . 1 ]"
1 18 VAL 1.854 0.160 7 0 "[ . 1 ]"
1 19 ASN 1.628 0.104 4 0 "[ . 1 ]"
1 21 GLN 0.256 0.066 7 0 "[ . 1 ]"
1 22 SER 0.000 0.000 . 0 "[ . 1 ]"
1 23 GLY 0.170 0.056 4 0 "[ . 1 ]"
1 26 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 28 PRO 1.094 0.236 4 0 "[ . 1 ]"
1 29 GLN 1.095 0.192 10 0 "[ . 1 ]"
1 30 THR 0.213 0.135 10 0 "[ . 1 ]"
1 31 ASN 3.523 0.387 8 0 "[ . 1 ]"
1 32 PHE 0.327 0.135 10 0 "[ . 1 ]"
1 33 ALA 1.140 0.192 10 0 "[ . 1 ]"
1 34 ASN 0.161 0.161 1 0 "[ . 1 ]"
1 35 MET 0.000 0.000 . 0 "[ . 1 ]"
1 36 PRO 2.198 0.387 8 0 "[ . 1 ]"
1 37 SER 1.317 0.169 11 0 "[ . 1 ]"
1 38 ALA 1.317 0.169 11 0 "[ . 1 ]"
1 39 ARG 5.317 0.388 10 0 "[ . 1 ]"
1 40 VAL 6.290 0.388 10 0 "[ . 1 ]"
1 41 THR 1.153 0.291 7 0 "[ . 1 ]"
1 42 LEU 0.198 0.164 11 0 "[ . 1 ]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 44 LYS 0.348 0.098 8 0 "[ . 1 ]"
1 45 SER 2.005 0.173 7 0 "[ . 1 ]"
1 46 LEU 5.155 0.260 6 0 "[ . 1 ]"
1 47 VAL 4.501 0.336 6 0 "[ . 1 ]"
1 48 TYR 2.674 0.336 6 0 "[ . 1 ]"
1 49 ASP 1.671 0.260 6 0 "[ . 1 ]"
1 50 LYS 9.422 0.405 10 0 "[ . 1 ]"
1 51 THR 9.001 0.334 11 0 "[ . 1 ]"
1 52 PHE 1.660 0.157 3 0 "[ . 1 ]"
1 53 SER 6.002 0.322 9 0 "[ . 1 ]"
1 54 LYS 17.082 0.405 10 0 "[ . 1 ]"
1 55 VAL 4.792 0.309 6 0 "[ . 1 ]"
1 56 LEU 8.213 0.246 9 0 "[ . 1 ]"
1 57 TRP 6.123 0.306 3 0 "[ . 1 ]"
1 58 SER 5.231 0.309 6 0 "[ . 1 ]"
1 59 ALA 10.456 0.356 7 0 "[ . 1 ]"
1 60 GLY 12.869 0.345 1 0 "[ . 1 ]"
1 61 LEU 8.402 0.425 10 0 "[ . 1 ]"
1 62 VAL 11.429 0.425 10 0 "[ . 1 ]"
1 63 ALA 8.915 0.417 7 0 "[ . 1 ]"
1 64 SER 4.565 0.498 5 0 "[ . 1 ]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 66 SER 0.481 0.134 9 0 "[ . 1 ]"
1 67 GLU 11.285 0.498 5 0 "[ . 1 ]"
1 68 GLY 4.157 0.277 9 0 "[ . 1 ]"
1 69 GLN 3.764 0.277 9 0 "[ . 1 ]"
1 70 ARG 6.397 0.224 2 0 "[ . 1 ]"
1 71 ILE 3.894 0.173 1 0 "[ . 1 ]"
1 72 ILE 5.957 0.179 5 0 "[ . 1 ]"
1 73 ASN 13.559 0.410 11 0 "[ . 1 ]"
1 74 ASN 6.944 0.224 2 0 "[ . 1 ]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 76 GLY 13.243 0.410 11 0 "[ . 1 ]"
1 77 ALA 5.587 0.366 5 0 "[ . 1 ]"
1 78 TYR 6.000 0.406 2 0 "[ . 1 ]"
1 79 VAL 2.940 0.308 9 0 "[ . 1 ]"
1 80 GLY 0.117 0.076 3 0 "[ . 1 ]"
1 81 SER 9.347 0.406 2 0 "[ . 1 ]"
1 82 ARG 2.267 0.295 6 0 "[ . 1 ]"
1 85 VAL 12.799 0.860 4 12 [***+*-******]
1 86 LYS 12.763 0.860 4 12 [***+*-******]
1 87 LYS 4.040 0.337 5 0 "[ . 1 ]"
1 88 ASN 4.231 0.439 8 0 "[ . 1 ]"
1 89 GLU 5.054 0.439 8 0 "[ . 1 ]"
1 95 PRO 0.329 0.136 8 0 "[ . 1 ]"
1 96 ASP 3.793 0.274 8 0 "[ . 1 ]"
1 97 ASP 3.341 0.274 8 0 "[ . 1 ]"
1 98 LEU 2.458 0.233 3 0 "[ . 1 ]"
1 99 THR 1.559 0.220 4 0 "[ . 1 ]"
1 100 PHE 0.721 0.135 9 0 "[ . 1 ]"
1 101 THR 0.572 0.220 4 0 "[ . 1 ]"
1 102 PRO 0.275 0.130 4 0 "[ . 1 ]"
1 103 ILE 5.697 0.474 3 0 "[ . 1 ]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 105 THR 10.735 0.591 2 12 [*+-*********]
1 106 TRP 9.571 0.591 2 12 [*+-*********]
1 107 ASN 0.557 0.226 12 0 "[ . 1 ]"
1 108 ALA 6.928 0.339 2 0 "[ . 1 ]"
1 109 SER 2.563 0.197 7 0 "[ . 1 ]"
1 110 LYS 5.499 0.326 7 0 "[ . 1 ]"
1 111 THR 15.241 0.392 3 0 "[ . 1 ]"
1 112 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 113 GLU 8.331 0.351 8 0 "[ . 1 ]"
1 114 PHE 12.642 0.592 8 1 "[ . + 1 ]"
1 115 ILE 15.879 0.890 2 3 "[ +* . - 1 ]"
1 116 ILE 23.546 1.449 9 12 [**-*****+***]
1 117 ASP 3.310 0.498 9 0 "[ . 1 ]"
1 118 GLY 2.552 0.890 2 2 "[ +- . 1 ]"
1 119 ASP 2.673 0.277 5 0 "[ . 1 ]"
1 120 LEU 20.790 1.449 9 12 [**-*****+***]
1 121 LEU 2.842 0.277 5 0 "[ . 1 ]"
1 122 ILE 11.892 0.444 9 0 "[ . 1 ]"
1 123 LEU 0.177 0.118 6 0 "[ . 1 ]"
1 124 LYS 6.768 0.329 7 0 "[ . 1 ]"
1 125 LEU 3.900 0.323 8 0 "[ . 1 ]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 127 LYS 4.983 0.313 6 0 "[ . 1 ]"
1 128 TRP 4.349 0.294 4 0 "[ . 1 ]"
1 129 LYS 13.252 0.491 6 0 "[ . 1 ]"
1 130 MET 10.853 0.387 9 0 "[ . 1 ]"
1 131 LYS 12.567 0.491 6 0 "[ . 1 ]"
1 132 LEU 3.976 0.313 10 0 "[ . 1 ]"
1 133 VAL 4.452 0.387 9 0 "[ . 1 ]"
1 134 SER 0.016 0.016 12 0 "[ . 1 ]"
1 135 ILE 0.591 0.233 3 0 "[ . 1 ]"
1 136 VAL 0.606 0.125 7 0 "[ . 1 ]"
1 137 SER 0.545 0.122 11 0 "[ . 1 ]"
1 138 ASP 3.018 0.345 4 0 "[ . 1 ]"
1 139 GLU 0.017 0.012 4 0 "[ . 1 ]"
1 140 LYS 4.309 0.345 4 0 "[ . 1 ]"
1 141 PHE 1.575 0.172 9 0 "[ . 1 ]"
1 142 LYS 3.187 0.381 5 0 "[ . 1 ]"
1 143 GLU 0.993 0.220 12 0 "[ . 1 ]"
1 144 LEU 2.435 0.381 5 0 "[ . 1 ]"
1 145 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 146 LEU 2.985 0.186 7 0 "[ . 1 ]"
1 147 THR 5.514 0.448 1 0 "[ . 1 ]"
1 148 ALA 1.031 0.242 9 0 "[ . 1 ]"
1 149 PRO 0.685 0.117 1 0 "[ . 1 ]"
1 150 GLY 1.074 0.279 4 0 "[ . 1 ]"
1 151 TRP 11.928 0.448 1 0 "[ . 1 ]"
1 152 ASP 10.415 0.321 9 0 "[ . 1 ]"
1 153 GLU 2.600 0.236 1 0 "[ . 1 ]"
1 154 VAL 5.411 0.359 4 0 "[ . 1 ]"
1 155 VAL 8.864 0.359 4 0 "[ . 1 ]"
1 156 GLY 1.979 0.236 5 0 "[ . 1 ]"
1 157 LYS 2.693 0.222 2 0 "[ . 1 ]"
1 158 GLY 0.088 0.051 3 0 "[ . 1 ]"
1 159 LYS 0.017 0.017 1 0 "[ . 1 ]"
1 160 GLU 0.039 0.021 8 0 "[ . 1 ]"
1 163 SER 0.039 0.021 8 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 ALA MB 1 6 SER H 5.200 . 5.200 3.113 2.344 3.558 . 0 0 "[ . 1 ]" 1
2 1 6 SER H 1 7 PRO QG 6.500 . 6.500 5.956 5.182 6.183 . 0 0 "[ . 1 ]" 1
3 1 6 SER H 1 7 PRO QB 6.500 . 6.500 6.309 5.947 6.441 . 0 0 "[ . 1 ]" 1
4 1 6 SER H 1 7 PRO QD 6.500 . 6.500 4.264 3.717 4.416 . 0 0 "[ . 1 ]" 1
5 1 12 SER HA 1 14 LEU H 4.500 . 4.500 3.871 3.179 4.514 0.014 11 0 "[ . 1 ]" 1
6 1 12 SER QB 1 14 LEU H 4.500 . 4.500 4.377 3.854 4.530 0.030 2 0 "[ . 1 ]" 1
7 1 14 LEU H 1 17 PHE QB 7.000 . 7.000 6.934 6.627 7.172 0.172 7 0 "[ . 1 ]" 1
8 1 15 SER QB 1 16 GLY H 4.500 . 4.500 3.943 3.838 4.073 . 0 0 "[ . 1 ]" 1
9 1 16 GLY H 1 17 PHE H 4.500 . 4.500 2.585 2.360 2.645 . 0 0 "[ . 1 ]" 1
10 1 16 GLY H 1 18 VAL HB 5.000 . 5.000 5.054 5.028 5.160 0.160 7 0 "[ . 1 ]" 1
11 1 16 GLY QA 1 17 PHE H 4.500 . 4.500 2.755 2.742 2.831 . 0 0 "[ . 1 ]" 1
12 1 17 PHE HA 1 18 VAL H 4.200 . 4.200 2.136 2.131 2.141 . 0 0 "[ . 1 ]" 1
13 1 18 VAL H 1 18 VAL HB 4.200 . 4.200 3.004 2.993 3.009 . 0 0 "[ . 1 ]" 1
14 1 18 VAL H 1 18 VAL QG 4.200 . 4.200 1.939 1.924 1.951 . 0 0 "[ . 1 ]" 1
15 1 18 VAL H 1 19 ASN H . . 4.300 4.170 4.162 4.188 . 0 0 "[ . 1 ]" 1
16 1 17 PHE QB 1 18 VAL H 5.500 . 5.500 3.482 3.356 3.768 . 0 0 "[ . 1 ]" 1
17 1 16 GLY QA 1 18 VAL H 6.500 . 6.500 5.267 5.181 5.436 . 0 0 "[ . 1 ]" 1
18 1 14 LEU QB 1 18 VAL HB 5.500 . 5.500 3.681 1.971 5.144 . 0 0 "[ . 1 ]" 1
19 1 14 LEU HA 1 18 VAL HB 5.500 . 5.500 4.562 3.886 5.521 0.021 7 0 "[ . 1 ]" 1
20 1 17 PHE HA 1 19 ASN H 5.500 . 5.500 5.542 5.528 5.573 0.073 10 0 "[ . 1 ]" 1
21 1 18 VAL HA 1 19 ASN H 4.300 . 4.300 2.136 2.130 2.145 . 0 0 "[ . 1 ]" 1
22 1 18 VAL HB 1 19 ASN H 4.300 . 4.300 4.393 4.384 4.404 0.104 4 0 "[ . 1 ]" 1
23 1 18 VAL QG 1 19 ASN H 4.300 . 4.300 2.934 2.824 3.018 . 0 0 "[ . 1 ]" 1
24 1 21 GLN H 1 21 GLN QG 4.300 . 4.300 3.316 1.976 4.169 . 0 0 "[ . 1 ]" 1
25 1 21 GLN H 1 21 GLN QE 6.500 . 6.500 4.672 2.394 6.282 . 0 0 "[ . 1 ]" 1
26 1 18 VAL QG 1 21 GLN H 7.500 . 7.500 6.351 4.891 7.566 0.066 7 0 "[ . 1 ]" 1
27 1 19 ASN QD 1 21 GLN H 6.500 . 6.500 5.894 4.664 6.509 0.009 8 0 "[ . 1 ]" 1
28 1 21 GLN QB 1 22 SER H 5.500 . 5.500 3.360 2.105 4.048 . 0 0 "[ . 1 ]" 1
29 1 21 GLN QG 1 22 SER H 5.500 . 5.500 3.987 1.942 4.561 . 0 0 "[ . 1 ]" 1
30 1 21 GLN HA 1 22 SER H 5.500 . 5.500 3.144 2.843 3.561 . 0 0 "[ . 1 ]" 1
31 1 21 GLN QG 1 23 GLY H 5.500 . 5.500 5.090 3.140 5.537 0.037 4 0 "[ . 1 ]" 1
32 1 21 GLN HA 1 23 GLY H 5.500 . 5.500 4.323 3.296 5.556 0.056 4 0 "[ . 1 ]" 1
33 1 26 HIS H 1 27 ALA MB 6.000 . 6.000 5.092 3.941 5.888 . 0 0 "[ . 1 ]" 1
34 1 26 HIS H 1 27 ALA H 6.000 . 6.000 4.270 3.714 4.627 . 0 0 "[ . 1 ]" 1
35 1 26 HIS QB 1 27 ALA H 5.500 . 5.500 3.495 2.233 4.020 . 0 0 "[ . 1 ]" 1
36 1 27 ALA HA 1 28 PRO QD 5.500 . 5.500 1.999 1.848 2.303 . 0 0 "[ . 1 ]" 1
37 1 29 GLN H 1 30 THR H 4.300 . 4.300 2.490 1.974 3.049 . 0 0 "[ . 1 ]" 1
38 1 29 GLN H 1 29 GLN QG 4.800 . 4.800 3.605 1.982 4.294 . 0 0 "[ . 1 ]" 1
39 1 29 GLN H 1 30 THR HG1 4.800 . 4.800 4.238 2.944 4.800 . 0 0 "[ . 1 ]" 1
40 1 29 GLN H 1 33 ALA MB 5.800 . 5.800 5.421 3.275 5.992 0.192 10 0 "[ . 1 ]" 1
41 1 30 THR H 1 31 ASN H 5.500 . 5.500 4.116 3.125 4.633 . 0 0 "[ . 1 ]" 1
42 1 29 GLN QG 1 30 THR H 5.500 . 5.500 4.016 1.927 4.546 . 0 0 "[ . 1 ]" 1
43 1 29 GLN HA 1 30 THR H 4.300 . 4.300 3.442 2.942 3.579 . 0 0 "[ . 1 ]" 1
44 1 29 GLN QB 1 30 THR H 5.500 . 5.500 2.596 1.960 3.777 . 0 0 "[ . 1 ]" 1
45 1 28 PRO QB 1 30 THR H 5.500 . 5.500 3.956 3.121 5.505 0.005 10 0 "[ . 1 ]" 1
46 1 30 THR HA 1 31 ASN H 3.800 . 3.800 2.426 2.197 2.500 . 0 0 "[ . 1 ]" 1
47 1 30 THR HG1 1 31 ASN H 5.500 . 5.500 3.166 1.922 3.794 . 0 0 "[ . 1 ]" 1
48 1 28 PRO QB 1 31 ASN H 6.500 . 6.500 6.296 4.716 6.736 0.236 4 0 "[ . 1 ]" 1
49 1 31 ASN H 1 36 PRO QB 7.000 . 7.000 7.183 7.023 7.387 0.387 8 0 "[ . 1 ]" 1
50 1 29 GLN QB 1 31 ASN H 6.000 . 6.000 5.412 3.810 6.082 0.082 9 0 "[ . 1 ]" 1
51 1 32 PHE H 1 33 ALA MB 4.500 . 4.500 4.403 4.071 4.588 0.088 7 0 "[ . 1 ]" 1
52 1 31 ASN HA 1 32 PHE H 3.800 . 3.800 3.436 3.085 3.568 . 0 0 "[ . 1 ]" 1
53 1 31 ASN QB 1 32 PHE H 4.500 . 4.500 2.700 1.955 3.684 . 0 0 "[ . 1 ]" 1
54 1 30 THR HG1 1 32 PHE H 5.500 . 5.500 3.906 1.868 5.635 0.135 10 0 "[ . 1 ]" 1
55 1 32 PHE QB 1 33 ALA H . . 4.500 2.588 2.151 3.241 . 0 0 "[ . 1 ]" 1
56 1 32 PHE HA 1 33 ALA H 3.800 . 3.800 3.544 3.519 3.565 . 0 0 "[ . 1 ]" 1
57 1 29 GLN QB 1 33 ALA H 6.500 . 6.500 5.985 4.670 6.651 0.151 6 0 "[ . 1 ]" 1
58 1 32 PHE QD 1 33 ALA H 6.900 . 6.900 3.936 2.700 4.509 . 0 0 "[ . 1 ]" 1
59 1 32 PHE QE 1 33 ALA H 6.900 . 6.900 5.787 3.556 6.566 . 0 0 "[ . 1 ]" 1
60 1 33 ALA H 1 34 ASN HA 5.500 . 5.500 5.318 5.129 5.661 0.161 1 0 "[ . 1 ]" 1
61 1 33 ALA HA 1 34 ASN H 3.800 . 3.800 3.578 3.529 3.622 . 0 0 "[ . 1 ]" 1
62 1 34 ASN H 1 34 ASN QB 3.800 . 3.800 2.231 2.061 2.788 . 0 0 "[ . 1 ]" 1
63 1 33 ALA MB 1 34 ASN H 4.500 . 4.500 2.486 2.253 2.587 . 0 0 "[ . 1 ]" 1
64 1 32 PHE HA 1 34 ASN H 5.500 . 5.500 4.915 4.600 5.306 . 0 0 "[ . 1 ]" 1
65 1 32 PHE QB 1 34 ASN H 5.500 . 5.500 4.888 4.399 5.331 . 0 0 "[ . 1 ]" 1
66 1 32 PHE QD 1 34 ASN H 7.500 . 7.500 5.949 4.708 6.624 . 0 0 "[ . 1 ]" 1
67 1 34 ASN H 1 35 MET H 4.500 . 4.500 3.058 2.661 3.224 . 0 0 "[ . 1 ]" 1
68 1 34 ASN H 1 35 MET QB 5.500 . 5.500 4.985 4.710 5.339 . 0 0 "[ . 1 ]" 1
69 1 36 PRO HA 1 37 SER H 4.800 . 4.800 3.040 2.833 3.604 . 0 0 "[ . 1 ]" 1
70 1 37 SER H 1 38 ALA MB 5.800 . 5.800 4.759 3.769 5.190 . 0 0 "[ . 1 ]" 1
71 1 35 MET QB 1 37 SER H 5.500 . 5.500 4.366 3.868 4.650 . 0 0 "[ . 1 ]" 1
72 1 37 SER HA 1 38 ALA H 3.800 . 3.800 3.490 2.814 3.605 . 0 0 "[ . 1 ]" 1
73 1 37 SER QB 1 38 ALA H 3.800 . 3.800 2.785 1.984 3.953 0.153 1 0 "[ . 1 ]" 1
74 1 38 ALA H 1 39 ARG QB 5.500 . 5.500 4.858 4.667 5.164 . 0 0 "[ . 1 ]" 1
75 1 37 SER H 1 38 ALA H 6.000 . 6.000 2.877 2.484 3.360 . 0 0 "[ . 1 ]" 1
76 1 37 SER HA 1 38 ALA MB 4.500 . 4.500 4.590 4.446 4.669 0.169 11 0 "[ . 1 ]" 1
77 1 38 ALA MB 1 39 ARG HA 6.500 . 6.500 3.984 3.917 4.039 . 0 0 "[ . 1 ]" 1
78 1 37 SER QB 1 38 ALA MB 7.000 . 7.000 3.410 3.057 4.722 . 0 0 "[ . 1 ]" 1
79 1 39 ARG H 1 39 ARG QD 4.800 . 4.800 4.618 4.415 4.885 0.085 1 0 "[ . 1 ]" 1
80 1 38 ALA MB 1 39 ARG H 4.800 . 4.800 2.970 2.845 3.018 . 0 0 "[ . 1 ]" 1
81 1 38 ALA HA 1 39 ARG H 4.500 . 4.500 2.198 2.164 2.239 . 0 0 "[ . 1 ]" 1
82 1 39 ARG H 1 40 VAL H 4.500 . 4.500 4.271 4.199 4.315 . 0 0 "[ . 1 ]" 1
83 1 39 ARG H 1 40 VAL HA 4.500 . 4.500 4.820 4.771 4.879 0.379 6 0 "[ . 1 ]" 1
84 1 39 ARG H 1 40 VAL HB 6.000 . 6.000 6.022 5.538 6.388 0.388 10 0 "[ . 1 ]" 1
85 1 39 ARG H 1 40 VAL QG 5.500 . 5.500 3.611 3.490 3.713 . 0 0 "[ . 1 ]" 1
86 1 39 ARG HA 1 40 VAL H . . 3.800 2.164 2.145 2.180 . 0 0 "[ . 1 ]" 1
87 1 39 ARG HA 1 40 VAL HA 5.200 . 5.200 4.399 4.384 4.410 . 0 0 "[ . 1 ]" 1
88 1 39 ARG QB 1 40 VAL H 5.500 . 5.500 3.531 3.176 3.694 . 0 0 "[ . 1 ]" 1
89 1 39 ARG QD 1 40 VAL H 5.200 . 5.200 2.636 2.040 3.528 . 0 0 "[ . 1 ]" 1
90 1 39 ARG QD 1 40 VAL HA 5.200 . 5.200 4.409 3.475 5.253 0.053 1 0 "[ . 1 ]" 1
91 1 40 VAL HA 1 41 THR H . . 3.800 2.458 2.439 2.478 . 0 0 "[ . 1 ]" 1
92 1 40 VAL HB 1 41 THR H . . 4.500 3.204 2.369 3.765 . 0 0 "[ . 1 ]" 1
93 1 40 VAL QG 1 41 THR H . . 4.500 2.269 1.804 3.192 . 0 0 "[ . 1 ]" 1
94 1 39 ARG HA 1 40 VAL QG 7.000 . 7.000 3.507 3.253 3.913 . 0 0 "[ . 1 ]" 1
95 1 40 VAL QG 1 42 LEU H . . 6.000 4.308 3.892 4.836 . 0 0 "[ . 1 ]" 1
96 1 41 THR H 1 41 THR HG1 3.800 . 3.800 2.732 2.063 3.315 . 0 0 "[ . 1 ]" 1
97 1 41 THR H 1 41 THR HB 3.800 . 3.800 3.226 2.527 3.841 0.041 12 0 "[ . 1 ]" 1
98 1 40 VAL H 1 41 THR H 5.500 . 5.500 4.467 4.460 4.483 . 0 0 "[ . 1 ]" 1
99 1 41 THR H 1 42 LEU H . . 4.500 4.367 4.319 4.417 . 0 0 "[ . 1 ]" 1
100 1 41 THR HA 1 42 LEU H 3.800 . 3.800 2.151 2.127 2.170 . 0 0 "[ . 1 ]" 1
101 1 40 VAL HB 1 41 THR HA 4.500 . 4.500 4.546 4.219 4.791 0.291 7 0 "[ . 1 ]" 1
102 1 41 THR HA 1 42 LEU HA 6.000 . 6.000 4.417 4.401 4.424 . 0 0 "[ . 1 ]" 1
103 1 41 THR HA 1 42 LEU QD 8.500 . 8.500 4.195 3.696 4.717 . 0 0 "[ . 1 ]" 1
104 1 40 VAL HA 1 41 THR HA 6.000 . 6.000 4.455 4.414 4.491 . 0 0 "[ . 1 ]" 1
105 1 41 THR HG1 1 42 LEU H 3.800 . 3.800 3.185 2.317 3.797 . 0 0 "[ . 1 ]" 1
106 1 42 LEU H 1 42 LEU HG 3.800 . 3.800 3.260 2.464 3.964 0.164 11 0 "[ . 1 ]" 1
107 1 44 LYS H 1 45 SER H 3.800 . 3.800 2.825 2.689 2.894 . 0 0 "[ . 1 ]" 1
108 1 44 LYS H 1 45 SER QB 4.500 . 4.500 4.525 4.455 4.598 0.098 8 0 "[ . 1 ]" 1
109 1 43 PRO QD 1 44 LYS H 6.500 . 6.500 4.869 4.776 4.925 . 0 0 "[ . 1 ]" 1
110 1 42 LEU HG 1 44 LYS HA 7.000 . 7.000 4.128 3.755 4.547 . 0 0 "[ . 1 ]" 1
111 1 44 LYS HA 1 45 SER H . . 5.500 3.491 3.481 3.508 . 0 0 "[ . 1 ]" 1
112 1 44 LYS HA 1 48 TYR QD 9.500 . 9.500 6.185 4.758 7.329 . 0 0 "[ . 1 ]" 1
113 1 44 LYS HA 1 48 TYR QE 9.500 . 9.500 7.256 4.501 9.295 . 0 0 "[ . 1 ]" 1
114 1 44 LYS HA 1 48 TYR H 6.000 . 6.000 5.260 5.101 5.490 . 0 0 "[ . 1 ]" 1
115 1 44 LYS QB 1 45 SER H . . 4.800 2.797 2.771 2.827 . 0 0 "[ . 1 ]" 1
116 1 44 LYS QG 1 48 TYR QD 9.500 . 9.500 5.302 3.437 6.709 . 0 0 "[ . 1 ]" 1
117 1 44 LYS QG 1 48 TYR QE 9.500 . 9.500 5.917 1.973 8.514 . 0 0 "[ . 1 ]" 1
118 1 44 LYS QD 1 48 TYR QD 10.000 . 10.000 5.974 3.356 8.030 . 0 0 "[ . 1 ]" 1
119 1 44 LYS QD 1 48 TYR QE 10.000 . 10.000 6.288 2.423 9.640 . 0 0 "[ . 1 ]" 1
120 1 45 SER H 1 48 TYR QE 8.700 . 8.700 6.798 4.678 8.024 . 0 0 "[ . 1 ]" 1
121 1 45 SER H 1 48 TYR QD 8.500 . 8.500 6.064 5.180 6.429 . 0 0 "[ . 1 ]" 1
122 1 45 SER H 1 48 TYR QB 8.000 . 8.000 6.181 5.796 6.774 . 0 0 "[ . 1 ]" 1
123 1 45 SER H 1 48 TYR H 6.500 . 6.500 5.598 5.478 5.833 . 0 0 "[ . 1 ]" 1
124 1 45 SER H 1 46 LEU QB 5.200 . 5.200 5.120 5.028 5.227 0.027 6 0 "[ . 1 ]" 1
125 1 45 SER H 1 46 LEU HG 4.500 . 4.500 4.630 4.487 4.673 0.173 7 0 "[ . 1 ]" 1
126 1 45 SER QB 1 47 VAL QG 6.000 . 6.000 4.957 4.748 5.146 . 0 0 "[ . 1 ]" 1
127 1 45 SER H 1 46 LEU H 4.500 . 4.500 2.948 2.900 2.984 . 0 0 "[ . 1 ]" 1
128 1 46 LEU H 1 48 TYR H 5.000 . 5.000 4.454 4.421 4.495 . 0 0 "[ . 1 ]" 1
129 1 46 LEU H 1 46 LEU QB 3.800 . 3.800 2.488 2.423 2.662 . 0 0 "[ . 1 ]" 1
130 1 46 LEU H 1 46 LEU HG 4.500 . 4.500 2.342 1.980 2.437 . 0 0 "[ . 1 ]" 1
131 1 46 LEU H 1 47 VAL QG 5.500 . 5.500 3.896 3.403 4.481 . 0 0 "[ . 1 ]" 1
132 1 45 SER HA 1 46 LEU H 4.500 . 4.500 3.581 3.568 3.593 . 0 0 "[ . 1 ]" 1
133 1 46 LEU H 1 49 ASP QB 7.000 . 7.000 6.679 6.485 7.049 0.049 8 0 "[ . 1 ]" 1
134 1 46 LEU H 1 47 VAL HA 5.000 . 5.000 5.093 5.009 5.120 0.120 11 0 "[ . 1 ]" 1
135 1 46 LEU H 1 48 TYR QD 7.500 . 7.500 5.066 4.527 6.000 . 0 0 "[ . 1 ]" 1
136 1 46 LEU H 1 47 VAL HB 5.000 . 5.000 4.850 4.344 5.139 0.139 10 0 "[ . 1 ]" 1
137 1 45 SER H 1 46 LEU HA 5.500 . 5.500 5.488 5.455 5.515 0.015 6 0 "[ . 1 ]" 1
138 1 46 LEU QB 1 47 VAL HA 7.000 . 7.000 4.503 3.984 4.620 . 0 0 "[ . 1 ]" 1
139 1 47 VAL H 1 48 TYR HA 4.800 . 4.800 4.987 4.955 5.136 0.336 6 0 "[ . 1 ]" 1
140 1 47 VAL H 1 48 TYR QD 6.500 . 6.500 3.825 3.454 4.404 . 0 0 "[ . 1 ]" 1
141 1 47 VAL H 1 48 TYR QE 6.500 . 6.500 5.514 4.653 6.380 . 0 0 "[ . 1 ]" 1
142 1 47 VAL H 1 47 VAL HB 3.800 . 3.800 2.483 2.130 2.643 . 0 0 "[ . 1 ]" 1
143 1 44 LYS HA 1 47 VAL H 5.200 . 5.200 3.611 3.399 3.697 . 0 0 "[ . 1 ]" 1
144 1 47 VAL H 1 48 TYR QB 5.200 . 5.200 4.243 4.155 4.640 . 0 0 "[ . 1 ]" 1
145 1 46 LEU HA 1 47 VAL H 5.200 . 5.200 3.353 3.329 3.376 . 0 0 "[ . 1 ]" 1
146 1 45 SER HA 1 47 VAL H 5.200 . 5.200 3.913 3.836 3.973 . 0 0 "[ . 1 ]" 1
147 1 46 LEU QD 1 47 VAL H 6.500 . 6.500 3.429 3.087 3.977 . 0 0 "[ . 1 ]" 1
148 1 47 VAL HB 1 48 TYR H 3.800 . 3.800 3.299 2.899 3.883 0.083 11 0 "[ . 1 ]" 1
149 1 47 VAL HB 1 48 TYR QD 6.000 . 6.000 4.624 2.948 6.029 0.029 6 0 "[ . 1 ]" 1
150 1 47 VAL HB 1 48 TYR QE 8.000 . 8.000 6.323 4.313 8.080 0.080 6 0 "[ . 1 ]" 1
151 1 44 LYS HA 1 47 VAL HB 6.500 . 6.500 3.046 2.256 3.311 . 0 0 "[ . 1 ]" 1
152 1 46 LEU HG 1 47 VAL HB 6.000 . 6.000 4.591 3.671 6.183 0.183 6 0 "[ . 1 ]" 1
153 1 47 VAL QG 1 48 TYR H 4.800 . 4.800 2.871 2.076 3.397 . 0 0 "[ . 1 ]" 1
154 1 47 VAL QG 1 48 TYR QE 6.000 . 6.000 5.089 2.638 6.051 0.051 3 0 "[ . 1 ]" 1
155 1 47 VAL QG 1 48 TYR QD 6.000 . 6.000 3.801 1.952 4.629 . 0 0 "[ . 1 ]" 1
156 1 47 VAL QG 1 48 TYR QB 6.500 . 6.500 4.007 2.937 4.650 . 0 0 "[ . 1 ]" 1
157 1 47 VAL H 1 48 TYR H 3.800 . 3.800 2.444 2.412 2.586 . 0 0 "[ . 1 ]" 1
158 1 48 TYR H 1 48 TYR QE 6.000 . 6.000 4.549 4.021 4.978 . 0 0 "[ . 1 ]" 1
159 1 48 TYR H 1 49 ASP H 4.500 . 4.500 2.914 2.778 2.972 . 0 0 "[ . 1 ]" 1
160 1 46 LEU HG 1 48 TYR H 6.500 . 6.500 5.043 4.885 5.701 . 0 0 "[ . 1 ]" 1
161 1 46 LEU QD 1 48 TYR H 7.500 . 7.500 4.802 4.423 5.256 . 0 0 "[ . 1 ]" 1
162 1 48 TYR QB 1 49 ASP H 5.500 . 5.500 3.310 2.852 3.601 . 0 0 "[ . 1 ]" 1
163 1 47 VAL HB 1 48 TYR QB 6.000 . 6.000 4.960 4.293 6.037 0.037 8 0 "[ . 1 ]" 1
164 1 49 ASP H 1 50 LYS H 3.800 . 3.800 2.912 2.867 2.964 . 0 0 "[ . 1 ]" 1
165 1 47 VAL H 1 49 ASP H 5.500 . 5.500 4.509 4.463 4.537 . 0 0 "[ . 1 ]" 1
166 1 48 TYR QE 1 49 ASP H 8.000 . 8.000 4.838 3.408 6.748 . 0 0 "[ . 1 ]" 1
167 1 48 TYR QD 1 49 ASP H 8.500 . 8.500 3.202 2.021 4.626 . 0 0 "[ . 1 ]" 1
168 1 49 ASP H 1 50 LYS QB 6.000 . 6.000 4.932 4.892 5.015 . 0 0 "[ . 1 ]" 1
169 1 46 LEU HG 1 49 ASP H 6.000 . 6.000 6.134 6.080 6.260 0.260 6 0 "[ . 1 ]" 1
170 1 48 TYR HA 1 49 ASP H 4.500 . 4.500 3.523 3.511 3.548 . 0 0 "[ . 1 ]" 1
171 1 49 ASP HA 1 50 LYS H . . 3.800 3.638 3.625 3.654 . 0 0 "[ . 1 ]" 1
172 1 48 TYR HA 1 49 ASP QB 5.500 . 5.500 5.274 5.175 5.510 0.010 6 0 "[ . 1 ]" 1
173 1 49 ASP H 1 50 LYS QD 8.500 . 8.500 6.083 4.985 7.131 . 0 0 "[ . 1 ]" 1
174 1 50 LYS H 1 51 THR H 4.200 . 4.200 4.379 4.350 4.406 0.206 5 0 "[ . 1 ]" 1
175 1 49 ASP QB 1 50 LYS H 4.500 . 4.500 2.583 2.442 3.347 . 0 0 "[ . 1 ]" 1
176 1 50 LYS H 1 53 SER QB 5.500 . 5.500 5.763 5.537 5.822 0.322 9 0 "[ . 1 ]" 1
177 1 50 LYS H 1 50 LYS QE 6.000 . 6.000 5.293 3.744 5.905 . 0 0 "[ . 1 ]" 1
178 1 50 LYS HA 1 51 THR H 3.800 . 3.800 2.139 2.111 2.153 . 0 0 "[ . 1 ]" 1
179 1 51 THR H 1 54 LYS QD 4.800 . 4.800 5.081 4.991 5.134 0.334 11 0 "[ . 1 ]" 1
180 1 50 LYS QG 1 51 THR H 4.800 . 4.800 3.198 3.103 3.289 . 0 0 "[ . 1 ]" 1
181 1 50 LYS QE 1 51 THR H 6.000 . 6.000 5.302 4.352 5.732 . 0 0 "[ . 1 ]" 1
182 1 51 THR H 1 54 LYS QB 6.000 . 6.000 5.540 5.461 5.725 . 0 0 "[ . 1 ]" 1
183 1 51 THR H 1 55 VAL QG 6.500 . 6.500 4.854 4.667 5.100 . 0 0 "[ . 1 ]" 1
184 1 50 LYS QD 1 51 THR H 5.500 . 5.500 4.630 2.371 5.082 . 0 0 "[ . 1 ]" 1
185 1 51 THR HA 1 54 LYS QD 6.000 . 6.000 4.327 3.935 6.081 0.081 3 0 "[ . 1 ]" 1
186 1 51 THR HA 1 54 LYS QG 6.500 . 6.500 4.059 3.982 4.360 . 0 0 "[ . 1 ]" 1
187 1 51 THR HA 1 55 VAL QG 6.500 . 6.500 3.315 3.157 3.693 . 0 0 "[ . 1 ]" 1
188 1 50 LYS QB 1 51 THR HA 6.500 . 6.500 4.522 4.505 4.595 . 0 0 "[ . 1 ]" 1
189 1 51 THR HA 1 53 SER H 5.500 . 5.500 5.568 5.518 5.604 0.104 8 0 "[ . 1 ]" 1
190 1 52 PHE H 1 53 SER HA 5.200 . 5.200 5.304 5.274 5.349 0.149 3 0 "[ . 1 ]" 1
191 1 52 PHE H 1 53 SER QB 5.200 . 5.200 4.423 4.301 4.627 . 0 0 "[ . 1 ]" 1
192 1 52 PHE H 1 54 LYS QG 5.200 . 5.200 4.779 4.684 4.985 . 0 0 "[ . 1 ]" 1
193 1 51 THR H 1 52 PHE H 6.000 . 6.000 3.055 3.012 3.094 . 0 0 "[ . 1 ]" 1
194 1 52 PHE H 1 55 VAL QG 7.000 . 7.000 4.519 4.184 4.685 . 0 0 "[ . 1 ]" 1
195 1 52 PHE HA 1 55 VAL H 4.500 . 4.500 4.480 4.358 4.615 0.115 12 0 "[ . 1 ]" 1
196 1 52 PHE HA 1 56 LEU H 4.500 . 4.500 4.118 3.969 4.235 . 0 0 "[ . 1 ]" 1
197 1 52 PHE HA 1 54 LYS QG 5.500 . 5.500 5.217 5.040 5.657 0.157 3 0 "[ . 1 ]" 1
198 1 52 PHE QB 1 53 SER H 5.200 . 5.200 2.384 2.252 2.956 . 0 0 "[ . 1 ]" 1
199 1 53 SER H 1 53 SER QB 3.800 . 3.800 2.232 2.069 2.504 . 0 0 "[ . 1 ]" 1
200 1 51 THR H 1 53 SER H 4.500 . 4.500 4.481 4.432 4.583 0.083 3 0 "[ . 1 ]" 1
201 1 52 PHE HA 1 53 SER H 4.500 . 4.500 3.541 3.521 3.566 . 0 0 "[ . 1 ]" 1
202 1 53 SER H 1 54 LYS QG 5.200 . 5.200 4.416 4.259 4.489 . 0 0 "[ . 1 ]" 1
203 1 50 LYS QG 1 53 SER H 5.000 . 5.000 3.863 3.611 4.474 . 0 0 "[ . 1 ]" 1
204 1 53 SER H 1 54 LYS QB 7.000 . 7.000 5.465 5.414 5.562 . 0 0 "[ . 1 ]" 1
205 1 53 SER H 1 55 VAL QG 8.500 . 8.500 4.929 4.251 5.134 . 0 0 "[ . 1 ]" 1
206 1 53 SER H 1 54 LYS QE 7.000 . 7.000 6.955 6.141 7.136 0.136 6 0 "[ . 1 ]" 1
207 1 53 SER H 1 56 LEU HG 6.000 . 6.000 5.000 4.883 5.134 . 0 0 "[ . 1 ]" 1
208 1 53 SER H 1 56 LEU QD . . 6.500 3.566 3.378 3.816 . 0 0 "[ . 1 ]" 1
209 1 53 SER H 1 55 VAL H 6.000 . 6.000 4.652 4.578 4.814 . 0 0 "[ . 1 ]" 1
210 1 53 SER H 1 54 LYS H 4.200 . 4.200 3.325 3.256 3.356 . 0 0 "[ . 1 ]" 1
211 1 54 LYS H 1 55 VAL H 4.200 . 4.200 3.024 2.980 3.111 . 0 0 "[ . 1 ]" 1
212 1 53 SER HA 1 54 LYS H 4.200 . 4.200 3.561 3.550 3.579 . 0 0 "[ . 1 ]" 1
213 1 54 LYS H 1 54 LYS QG . . 4.200 2.236 1.843 2.349 . 0 0 "[ . 1 ]" 1
214 1 51 THR H 1 54 LYS H 5.500 . 5.500 4.838 4.788 5.017 . 0 0 "[ . 1 ]" 1
215 1 53 SER QB 1 54 LYS H 5.500 . 5.500 1.924 1.833 2.146 . 0 0 "[ . 1 ]" 1
216 1 54 LYS H 1 56 LEU H . . 4.800 4.812 4.680 4.853 0.053 8 0 "[ . 1 ]" 1
217 1 54 LYS H 1 54 LYS QD . . 4.200 3.798 2.092 4.017 . 0 0 "[ . 1 ]" 1
218 1 54 LYS H 1 54 LYS QE . . 6.000 4.416 3.914 4.672 . 0 0 "[ . 1 ]" 1
219 1 50 LYS QG 1 54 LYS H 6.000 . 6.000 3.110 2.702 4.133 . 0 0 "[ . 1 ]" 1
220 1 54 LYS H 1 55 VAL QG . . 6.000 4.274 3.955 4.499 . 0 0 "[ . 1 ]" 1
221 1 54 LYS H 1 55 VAL HA 6.000 . 6.000 5.530 5.501 5.580 . 0 0 "[ . 1 ]" 1
222 1 52 PHE HA 1 54 LYS H 8.000 . 8.000 5.442 5.204 5.501 . 0 0 "[ . 1 ]" 1
223 1 51 THR HB 1 54 LYS H 6.000 . 6.000 6.209 6.142 6.264 0.264 4 0 "[ . 1 ]" 1
224 1 50 LYS H 1 54 LYS HA 5.500 . 5.500 5.843 5.794 5.905 0.405 10 0 "[ . 1 ]" 1
225 1 54 LYS HA 1 57 TRP HZ3 7.000 . 7.000 5.194 3.336 5.584 . 0 0 "[ . 1 ]" 1
226 1 54 LYS HA 1 55 VAL HA 5.500 . 5.500 4.790 4.679 4.821 . 0 0 "[ . 1 ]" 1
227 1 54 LYS QB 1 55 VAL H 5.500 . 5.500 3.228 2.234 3.348 . 0 0 "[ . 1 ]" 1
228 1 54 LYS QB 1 56 LEU QD 7.500 . 7.500 5.628 5.529 5.694 . 0 0 "[ . 1 ]" 1
229 1 54 LYS QB 1 55 VAL QG 7.500 . 7.500 3.949 2.952 4.149 . 0 0 "[ . 1 ]" 1
230 1 53 SER HA 1 54 LYS QG 5.500 . 5.500 5.186 5.028 5.248 . 0 0 "[ . 1 ]" 1
231 1 54 LYS HA 1 55 VAL H 3.800 . 3.800 3.552 3.539 3.563 . 0 0 "[ . 1 ]" 1
232 1 54 LYS QD 1 55 VAL H 5.500 . 5.500 2.071 1.710 4.281 . 0 0 "[ . 1 ]" 1
233 1 54 LYS QG 1 55 VAL H 5.500 . 5.500 2.136 1.947 3.197 . 0 0 "[ . 1 ]" 1
234 1 55 VAL H 1 57 TRP HE1 9.500 . 9.500 5.102 4.931 5.811 . 0 0 "[ . 1 ]" 1
235 1 55 VAL H 1 56 LEU H . . 3.800 2.989 2.798 3.072 . 0 0 "[ . 1 ]" 1
236 1 55 VAL HA 1 58 SER H 5.500 . 5.500 4.877 4.501 5.041 . 0 0 "[ . 1 ]" 1
237 1 55 VAL HA 1 59 ALA H . . 4.500 3.514 3.278 3.593 . 0 0 "[ . 1 ]" 1
238 1 55 VAL HA 1 56 LEU H . . 4.800 3.558 3.541 3.574 . 0 0 "[ . 1 ]" 1
239 1 54 LYS QB 1 55 VAL HB 5.500 . 5.500 5.423 4.647 5.611 0.111 7 0 "[ . 1 ]" 1
240 1 55 VAL HB 1 56 LEU H 6.000 . 6.000 2.356 2.071 4.042 . 0 0 "[ . 1 ]" 1
241 1 54 LYS H 1 55 VAL HB 6.000 . 6.000 5.273 5.055 6.040 0.040 12 0 "[ . 1 ]" 1
242 1 52 PHE HA 1 55 VAL QG 5.500 . 5.500 3.546 2.741 3.732 . 0 0 "[ . 1 ]" 1
243 1 54 LYS QD 1 55 VAL QG 5.500 . 5.500 2.044 1.745 4.961 . 0 0 "[ . 1 ]" 1
244 1 54 LYS QG 1 55 VAL QG 5.500 . 5.500 2.801 2.508 3.704 . 0 0 "[ . 1 ]" 1
245 1 55 VAL QG 1 58 SER QB 6.500 . 6.500 4.724 4.612 4.828 . 0 0 "[ . 1 ]" 1
246 1 55 VAL QG 1 58 SER H 7.000 . 7.000 5.257 4.961 5.355 . 0 0 "[ . 1 ]" 1
247 1 55 VAL QG 1 58 SER HA 6.500 . 6.500 6.714 6.563 6.809 0.309 6 0 "[ . 1 ]" 1
248 1 55 VAL QG 1 56 LEU H . . 6.000 2.798 1.915 2.970 . 0 0 "[ . 1 ]" 1
249 1 56 LEU H 1 57 TRP H 3.800 . 3.800 3.160 3.111 3.258 . 0 0 "[ . 1 ]" 1
250 1 56 LEU H 1 58 SER H 4.800 . 4.800 4.686 4.601 4.756 . 0 0 "[ . 1 ]" 1
251 1 56 LEU H 1 59 ALA H 4.800 . 4.800 4.805 4.687 4.904 0.104 8 0 "[ . 1 ]" 1
252 1 53 SER QB 1 56 LEU H 5.500 . 5.500 5.346 5.277 5.446 . 0 0 "[ . 1 ]" 1
253 1 56 LEU H 1 57 TRP HA 6.000 . 6.000 5.578 5.542 5.652 . 0 0 "[ . 1 ]" 1
254 1 56 LEU QD 1 58 SER H . . 6.000 4.034 3.898 4.113 . 0 0 "[ . 1 ]" 1
255 1 54 LYS HA 1 56 LEU H 6.000 . 6.000 4.893 4.811 5.000 . 0 0 "[ . 1 ]" 1
256 1 56 LEU HA 1 59 ALA H . . 4.500 4.623 4.566 4.687 0.187 6 0 "[ . 1 ]" 1
257 1 56 LEU HA 1 57 TRP H 5.500 . 5.500 3.606 3.593 3.623 . 0 0 "[ . 1 ]" 1
258 1 56 LEU QB 1 57 TRP H . . 5.500 3.206 3.143 3.232 . 0 0 "[ . 1 ]" 1
259 1 56 LEU HA 1 56 LEU HG 3.800 . 3.800 3.685 3.659 3.707 . 0 0 "[ . 1 ]" 1
260 1 54 LYS HA 1 56 LEU HG 5.500 . 5.500 4.821 4.738 4.931 . 0 0 "[ . 1 ]" 1
261 1 56 LEU H 1 56 LEU HG 4.500 . 4.500 2.664 2.528 2.812 . 0 0 "[ . 1 ]" 1
262 1 55 VAL H 1 56 LEU HG 5.500 . 5.500 4.724 4.639 4.816 . 0 0 "[ . 1 ]" 1
263 1 53 SER QB 1 56 LEU HG 5.500 . 5.500 4.618 4.358 4.736 . 0 0 "[ . 1 ]" 1
264 1 54 LYS QB 1 56 LEU HG 6.000 . 6.000 5.991 5.824 6.051 0.051 6 0 "[ . 1 ]" 1
265 1 54 LYS QD 1 56 LEU HG 6.000 . 6.000 6.151 5.792 6.246 0.246 9 0 "[ . 1 ]" 1
266 1 54 LYS QG 1 56 LEU HG 6.000 . 6.000 5.953 5.795 6.234 0.234 3 0 "[ . 1 ]" 1
267 1 56 LEU HG 1 58 SER H 6.500 . 6.500 4.160 3.975 4.236 . 0 0 "[ . 1 ]" 1
268 1 56 LEU QD 1 59 ALA H 5.000 . 5.000 5.171 5.148 5.195 0.195 1 0 "[ . 1 ]" 1
269 1 56 LEU QD 1 57 TRP HA 5.000 . 5.000 2.470 2.401 2.714 . 0 0 "[ . 1 ]" 1
270 1 56 LEU QD 1 59 ALA HA 7.000 . 7.000 7.135 7.106 7.180 0.180 7 0 "[ . 1 ]" 1
271 1 56 LEU QD 1 57 TRP QB . . 6.000 1.821 1.735 1.981 . 0 0 "[ . 1 ]" 1
272 1 55 VAL QG 1 56 LEU QD 7.000 . 7.000 4.175 3.625 4.307 . 0 0 "[ . 1 ]" 1
273 1 56 LEU QD 1 58 SER HA 6.500 . 6.500 5.789 5.742 5.824 . 0 0 "[ . 1 ]" 1
274 1 53 SER HA 1 56 LEU QD 6.500 . 6.500 2.113 1.934 2.244 . 0 0 "[ . 1 ]" 1
275 1 56 LEU QD 1 61 LEU QB 6.500 . 6.500 3.869 3.391 5.334 . 0 0 "[ . 1 ]" 1
276 1 55 VAL H 1 56 LEU QD 7.000 . 7.000 4.681 4.520 4.806 . 0 0 "[ . 1 ]" 1
277 1 57 TRP H 1 58 SER H 3.800 . 3.800 2.709 2.648 2.736 . 0 0 "[ . 1 ]" 1
278 1 54 LYS HA 1 57 TRP H 4.500 . 4.500 4.303 4.214 4.411 . 0 0 "[ . 1 ]" 1
279 1 57 TRP H 1 57 TRP QB . . 3.800 2.598 2.518 2.871 . 0 0 "[ . 1 ]" 1
280 1 56 LEU QD 1 57 TRP H 5.500 . 5.500 2.112 1.919 2.208 . 0 0 "[ . 1 ]" 1
281 1 54 LYS QB 1 57 TRP H 5.500 . 5.500 5.688 5.638 5.739 0.239 7 0 "[ . 1 ]" 1
282 1 57 TRP H 1 59 ALA H 4.500 . 4.500 4.290 4.231 4.331 . 0 0 "[ . 1 ]" 1
283 1 54 LYS HA 1 57 TRP QB 5.000 . 5.000 5.066 4.932 5.201 0.201 3 0 "[ . 1 ]" 1
284 1 57 TRP QB 1 58 SER H 4.700 . 4.700 3.188 3.012 3.230 . 0 0 "[ . 1 ]" 1
285 1 58 SER H 1 59 ALA H 3.800 . 3.800 2.734 2.702 2.767 . 0 0 "[ . 1 ]" 1
286 1 57 TRP HA 1 58 SER H 3.800 . 3.800 3.501 3.469 3.511 . 0 0 "[ . 1 ]" 1
287 1 58 SER H 1 59 ALA MB 4.500 . 4.500 4.363 4.316 4.425 . 0 0 "[ . 1 ]" 1
288 1 58 SER H 1 60 GLY H 5.000 . 5.000 5.188 5.116 5.245 0.245 7 0 "[ . 1 ]" 1
289 1 58 SER H 1 59 ALA HA 5.500 . 5.500 5.255 5.235 5.285 . 0 0 "[ . 1 ]" 1
290 1 54 LYS HA 1 58 SER H 4.500 . 4.500 3.274 3.056 3.525 . 0 0 "[ . 1 ]" 1
291 1 53 SER HA 1 58 SER H 5.800 . 5.800 5.749 5.503 5.885 0.085 1 0 "[ . 1 ]" 1
292 1 55 VAL HB 1 58 SER H 6.500 . 6.500 6.297 6.193 6.586 0.086 12 0 "[ . 1 ]" 1
293 1 57 TRP H 1 58 SER QB 4.500 . 4.500 4.383 4.287 4.443 . 0 0 "[ . 1 ]" 1
294 1 57 TRP QB 1 58 SER QB 5.500 . 5.500 4.416 4.332 4.476 . 0 0 "[ . 1 ]" 1
295 1 54 LYS HA 1 58 SER QB 5.200 . 5.200 2.619 2.109 2.935 . 0 0 "[ . 1 ]" 1
296 1 57 TRP HA 1 58 SER QB 6.000 . 6.000 5.165 5.142 5.189 . 0 0 "[ . 1 ]" 1
297 1 59 ALA H 1 60 GLY H 3.800 . 3.800 3.145 3.118 3.164 . 0 0 "[ . 1 ]" 1
298 1 59 ALA H 1 61 LEU H . . 4.500 4.746 4.678 4.856 0.356 7 0 "[ . 1 ]" 1
299 1 55 VAL HB 1 59 ALA H 6.000 . 6.000 5.713 5.432 5.798 . 0 0 "[ . 1 ]" 1
300 1 57 TRP HD1 1 59 ALA H 8.400 . 8.400 6.256 6.124 6.940 . 0 0 "[ . 1 ]" 1
301 1 57 TRP QB 1 59 ALA H 6.500 . 6.500 5.203 5.107 5.239 . 0 0 "[ . 1 ]" 1
302 1 57 TRP HA 1 59 ALA H 5.500 . 5.500 4.731 4.652 4.780 . 0 0 "[ . 1 ]" 1
303 1 59 ALA H 1 61 LEU QB 7.000 . 7.000 6.333 5.921 7.262 0.262 7 0 "[ . 1 ]" 1
304 1 59 ALA HA 1 60 GLY H . . 3.800 3.562 3.545 3.578 . 0 0 "[ . 1 ]" 1
305 1 59 ALA MB 1 61 LEU H 5.500 . 5.500 4.069 3.931 4.147 . 0 0 "[ . 1 ]" 1
306 1 59 ALA MB 1 60 GLY H . . 4.800 1.906 1.869 1.955 . 0 0 "[ . 1 ]" 1
307 1 56 LEU QD 1 59 ALA MB 6.500 . 6.500 5.269 5.241 5.294 . 0 0 "[ . 1 ]" 1
308 1 60 GLY H 1 61 LEU H 3.800 . 3.800 2.426 2.316 2.478 . 0 0 "[ . 1 ]" 1
309 1 60 GLY H 1 62 VAL H . . 4.300 4.565 4.438 4.645 0.345 1 0 "[ . 1 ]" 1
310 1 57 TRP HA 1 60 GLY H 4.800 . 4.800 5.050 4.979 5.106 0.306 3 0 "[ . 1 ]" 1
311 1 60 GLY H 1 61 LEU HA 5.500 . 5.500 5.013 4.922 5.045 . 0 0 "[ . 1 ]" 1
312 1 60 GLY H 1 61 LEU QB 5.500 . 5.500 4.314 4.004 4.973 . 0 0 "[ . 1 ]" 1
313 1 60 GLY H 1 61 LEU HG 5.500 . 5.500 5.471 3.966 5.771 0.271 10 0 "[ . 1 ]" 1
314 1 58 SER QB 1 60 GLY H 6.000 . 6.000 5.278 5.256 5.324 . 0 0 "[ . 1 ]" 1
315 1 58 SER HA 1 60 GLY H 6.000 . 6.000 5.739 5.709 5.783 . 0 0 "[ . 1 ]" 1
316 1 55 VAL HB 1 60 GLY H 6.500 . 6.500 6.593 6.266 6.701 0.201 7 0 "[ . 1 ]" 1
317 1 55 VAL QG 1 60 GLY H 6.000 . 6.000 4.331 4.108 4.553 . 0 0 "[ . 1 ]" 1
318 1 60 GLY H 1 61 LEU QD 6.500 . 6.500 4.636 3.390 5.271 . 0 0 "[ . 1 ]" 1
319 1 56 LEU QD 1 60 GLY H 8.500 . 8.500 5.383 5.292 5.667 . 0 0 "[ . 1 ]" 1
320 1 60 GLY QA 1 62 VAL H 6.000 . 6.000 4.973 4.909 5.025 . 0 0 "[ . 1 ]" 1
321 1 61 LEU H 1 62 VAL H 4.300 . 4.300 2.706 2.605 2.817 . 0 0 "[ . 1 ]" 1
322 1 61 LEU H 1 62 VAL HA 5.000 . 5.000 5.121 5.078 5.216 0.216 10 0 "[ . 1 ]" 1
323 1 59 ALA HA 1 61 LEU H 5.500 . 5.500 5.650 5.606 5.774 0.274 7 0 "[ . 1 ]" 1
324 1 58 SER HA 1 61 LEU H 6.500 . 6.500 6.374 6.277 6.542 0.042 7 0 "[ . 1 ]" 1
325 1 61 LEU H 1 61 LEU HG . . 4.800 3.621 2.015 3.959 . 0 0 "[ . 1 ]" 1
326 1 61 LEU H 1 62 VAL QG 6.500 . 6.500 4.064 3.969 4.296 . 0 0 "[ . 1 ]" 1
327 1 57 TRP QB 1 61 LEU H 7.500 . 7.500 5.620 5.471 5.746 . 0 0 "[ . 1 ]" 1
328 1 61 LEU HA 1 61 LEU HG 4.500 . 4.500 3.216 2.283 3.653 . 0 0 "[ . 1 ]" 1
329 1 61 LEU HA 1 62 VAL HB 5.000 . 5.000 4.598 4.369 5.425 0.425 10 0 "[ . 1 ]" 1
330 1 61 LEU HA 1 62 VAL H . . 4.300 3.642 3.600 3.661 . 0 0 "[ . 1 ]" 1
331 1 61 LEU QB 1 62 VAL H 5.200 . 5.200 2.892 2.679 3.612 . 0 0 "[ . 1 ]" 1
332 1 61 LEU QB 1 62 VAL QG 6.500 . 6.500 2.499 1.608 3.952 . 0 0 "[ . 1 ]" 1
333 1 57 TRP HA 1 61 LEU QB 6.500 . 6.500 4.261 3.841 5.375 . 0 0 "[ . 1 ]" 1
334 1 61 LEU HG 1 62 VAL H 6.000 . 6.000 4.758 2.201 5.326 . 0 0 "[ . 1 ]" 1
335 1 61 LEU QD 1 63 ALA H 6.500 . 6.500 5.900 4.608 6.282 . 0 0 "[ . 1 ]" 1
336 1 61 LEU QD 1 62 VAL H 6.500 . 6.500 3.793 1.969 4.177 . 0 0 "[ . 1 ]" 1
337 1 62 VAL H 1 63 ALA HA 5.000 . 5.000 5.348 5.281 5.417 0.417 7 0 "[ . 1 ]" 1
338 1 58 SER H 1 62 VAL H 6.000 . 6.000 5.115 4.962 5.226 . 0 0 "[ . 1 ]" 1
339 1 59 ALA H 1 62 VAL H 6.000 . 6.000 5.447 5.348 5.562 . 0 0 "[ . 1 ]" 1
340 1 62 VAL H 1 64 SER H 6.000 . 6.000 4.144 3.995 4.578 . 0 0 "[ . 1 ]" 1
341 1 61 LEU QB 1 62 VAL HB 4.500 . 4.500 3.151 2.725 3.584 . 0 0 "[ . 1 ]" 1
342 1 60 GLY QA 1 62 VAL HB 7.000 . 7.000 7.159 7.054 7.334 0.334 1 0 "[ . 1 ]" 1
343 1 57 TRP HA 1 62 VAL QG 6.000 . 6.000 2.394 1.739 3.846 . 0 0 "[ . 1 ]" 1
344 1 57 TRP QB 1 62 VAL QG . . 6.500 2.766 1.788 3.791 . 0 0 "[ . 1 ]" 1
345 1 57 TRP H 1 62 VAL QG 6.500 . 6.500 4.131 3.057 5.619 . 0 0 "[ . 1 ]" 1
346 1 62 VAL QG 1 65 LYS QB 7.500 . 7.500 5.593 4.864 6.315 . 0 0 "[ . 1 ]" 1
347 1 61 LEU HG 1 62 VAL QG 7.500 . 7.500 4.292 1.760 5.121 . 0 0 "[ . 1 ]" 1
348 1 62 VAL QG 1 63 ALA H . . 5.700 1.677 1.646 1.770 . 0 0 "[ . 1 ]" 1
349 1 62 VAL QG 1 63 ALA HA 6.500 . 6.500 3.593 3.548 3.705 . 0 0 "[ . 1 ]" 1
350 1 62 VAL QG 1 66 SER H 7.000 . 7.000 5.341 5.038 5.614 . 0 0 "[ . 1 ]" 1
351 1 58 SER H 1 62 VAL QG 7.000 . 7.000 5.191 4.295 6.304 . 0 0 "[ . 1 ]" 1
352 1 59 ALA MB 1 62 VAL QG 7.500 . 7.500 6.118 5.572 6.730 . 0 0 "[ . 1 ]" 1
353 1 62 VAL QG 1 64 SER H 7.000 . 7.000 1.690 1.502 1.877 . 0 0 "[ . 1 ]" 1
354 1 62 VAL QG 1 67 GLU H . . 6.500 4.539 4.404 4.689 . 0 0 "[ . 1 ]" 1
355 1 62 VAL QG 1 64 SER HA 6.500 . 6.500 3.011 2.947 3.103 . 0 0 "[ . 1 ]" 1
356 1 58 SER QB 1 62 VAL QG 7.000 . 7.000 6.207 5.501 7.007 0.007 1 0 "[ . 1 ]" 1
357 1 63 ALA H 1 64 SER H 4.200 . 4.200 2.491 2.225 2.620 . 0 0 "[ . 1 ]" 1
358 1 62 VAL HA 1 63 ALA H 3.800 . 3.800 2.361 2.278 2.394 . 0 0 "[ . 1 ]" 1
359 1 62 VAL HB 1 63 ALA H 4.800 . 4.800 3.498 3.333 3.680 . 0 0 "[ . 1 ]" 1
360 1 62 VAL H 1 63 ALA H 4.500 . 4.500 4.453 4.436 4.490 . 0 0 "[ . 1 ]" 1
361 1 63 ALA H 1 64 SER QB 6.000 . 6.000 4.022 3.598 4.350 . 0 0 "[ . 1 ]" 1
362 1 63 ALA H 1 67 GLU H 6.000 . 6.000 6.302 6.260 6.320 0.320 3 0 "[ . 1 ]" 1
363 1 63 ALA HA 1 64 SER H . . 4.500 3.149 3.127 3.181 . 0 0 "[ . 1 ]" 1
364 1 62 VAL HA 1 63 ALA HA 5.500 . 5.500 4.334 4.305 4.371 . 0 0 "[ . 1 ]" 1
365 1 63 ALA MB 1 64 SER H . . 5.500 3.311 3.274 3.339 . 0 0 "[ . 1 ]" 1
366 1 62 VAL HA 1 63 ALA MB 5.500 . 5.500 3.975 3.808 4.039 . 0 0 "[ . 1 ]" 1
367 1 63 ALA MB 1 64 SER QB 7.000 . 7.000 4.604 4.405 4.725 . 0 0 "[ . 1 ]" 1
368 1 62 VAL HB 1 63 ALA MB 6.500 . 6.500 5.036 4.784 5.334 . 0 0 "[ . 1 ]" 1
369 1 64 SER H 1 67 GLU HA 6.000 . 6.000 6.380 6.318 6.498 0.498 5 0 "[ . 1 ]" 1
370 1 64 SER H 1 65 LYS H . . 5.000 3.250 3.212 3.275 . 0 0 "[ . 1 ]" 1
371 1 64 SER H 1 66 SER H 6.000 . 6.000 5.049 4.941 5.130 . 0 0 "[ . 1 ]" 1
372 1 64 SER H 1 67 GLU H 6.000 . 6.000 4.611 4.540 4.691 . 0 0 "[ . 1 ]" 1
373 1 64 SER H 1 67 GLU QB 6.500 . 6.500 3.526 3.462 3.698 . 0 0 "[ . 1 ]" 1
374 1 64 SER HA 1 65 LYS H . . 3.800 3.296 3.243 3.313 . 0 0 "[ . 1 ]" 1
375 1 62 VAL QG 1 64 SER QB 7.000 . 7.000 1.784 1.516 2.459 . 0 0 "[ . 1 ]" 1
376 1 65 LYS H 1 66 SER QB 6.500 . 6.500 4.783 4.420 5.207 . 0 0 "[ . 1 ]" 1
377 1 65 LYS HA 1 66 SER H 4.300 . 4.300 3.515 3.501 3.525 . 0 0 "[ . 1 ]" 1
378 1 64 SER HA 1 66 SER H 6.000 . 6.000 3.481 3.262 3.657 . 0 0 "[ . 1 ]" 1
379 1 63 ALA HA 1 66 SER H 5.500 . 5.500 5.387 5.224 5.634 0.134 9 0 "[ . 1 ]" 1
380 1 66 SER H 1 67 GLU QB 6.000 . 6.000 4.252 4.135 4.357 . 0 0 "[ . 1 ]" 1
381 1 66 SER H 1 69 GLN QG 6.500 . 6.500 5.499 5.082 6.540 0.040 6 0 "[ . 1 ]" 1
382 1 65 LYS H 1 66 SER H 6.500 . 6.500 2.691 2.638 2.743 . 0 0 "[ . 1 ]" 1
383 1 66 SER H 1 69 GLN QB 6.500 . 6.500 5.227 4.803 5.498 . 0 0 "[ . 1 ]" 1
384 1 66 SER HA 1 67 GLU H 5.500 . 5.500 3.587 3.577 3.598 . 0 0 "[ . 1 ]" 1
385 1 66 SER HA 1 67 GLU QB 6.500 . 6.500 5.340 5.249 5.450 . 0 0 "[ . 1 ]" 1
386 1 66 SER HA 1 67 GLU QG 6.500 . 6.500 6.047 5.403 6.615 0.115 3 0 "[ . 1 ]" 1
387 1 66 SER QB 1 67 GLU H 5.500 . 5.500 2.687 2.220 3.171 . 0 0 "[ . 1 ]" 1
388 1 66 SER QB 1 67 GLU QB 6.500 . 6.500 4.197 3.730 4.832 . 0 0 "[ . 1 ]" 1
389 1 66 SER QB 1 67 GLU QG 6.500 . 6.500 4.505 3.273 6.057 . 0 0 "[ . 1 ]" 1
390 1 67 GLU H 1 68 GLY H 4.500 . 4.500 2.763 2.681 2.795 . 0 0 "[ . 1 ]" 1
391 1 67 GLU H 1 68 GLY QA 4.500 . 4.500 4.575 4.500 4.602 0.102 10 0 "[ . 1 ]" 1
392 1 67 GLU H 1 67 GLU QG . . 4.500 3.319 2.654 3.978 . 0 0 "[ . 1 ]" 1
393 1 67 GLU H 1 69 GLN H 5.500 . 5.500 4.524 4.312 4.662 . 0 0 "[ . 1 ]" 1
394 1 67 GLU H 1 70 ARG QB 6.500 . 6.500 4.869 4.805 4.984 . 0 0 "[ . 1 ]" 1
395 1 67 GLU H 1 70 ARG QG 6.500 . 6.500 6.533 6.374 6.567 0.067 4 0 "[ . 1 ]" 1
396 1 62 VAL QG 1 67 GLU HA 6.500 . 6.500 5.308 5.165 5.584 . 0 0 "[ . 1 ]" 1
397 1 67 GLU HA 1 67 GLU QG . . 3.800 2.536 2.301 2.816 . 0 0 "[ . 1 ]" 1
398 1 67 GLU HA 1 70 ARG QB 4.800 . 4.800 2.612 2.529 2.777 . 0 0 "[ . 1 ]" 1
399 1 67 GLU HA 1 68 GLY H . . 4.500 3.491 3.478 3.524 . 0 0 "[ . 1 ]" 1
400 1 66 SER H 1 67 GLU HA 5.200 . 5.200 5.131 5.076 5.159 . 0 0 "[ . 1 ]" 1
401 1 67 GLU HA 1 68 GLY QA 6.000 . 6.000 4.503 4.482 4.509 . 0 0 "[ . 1 ]" 1
402 1 67 GLU HA 1 70 ARG QG . . 5.500 4.192 3.916 4.336 . 0 0 "[ . 1 ]" 1
403 1 62 VAL QG 1 67 GLU QB 6.500 . 6.500 2.992 2.859 3.228 . 0 0 "[ . 1 ]" 1
404 1 63 ALA H 1 67 GLU QG 5.500 . 5.500 5.582 5.515 5.667 0.167 9 0 "[ . 1 ]" 1
405 1 64 SER H 1 67 GLU QG 5.500 . 5.500 4.824 4.384 5.038 . 0 0 "[ . 1 ]" 1
406 1 68 GLY H 1 70 ARG H 4.500 . 4.500 4.206 4.174 4.259 . 0 0 "[ . 1 ]" 1
407 1 64 SER QB 1 68 GLY H 5.500 . 5.500 1.906 1.819 1.997 . 0 0 "[ . 1 ]" 1
408 1 67 GLU QB 1 68 GLY H 3.800 . 3.800 2.607 2.546 2.702 . 0 0 "[ . 1 ]" 1
409 1 68 GLY H 1 69 GLN HA 5.200 . 5.200 5.441 5.396 5.477 0.277 9 0 "[ . 1 ]" 1
410 1 66 SER HA 1 68 GLY H 5.000 . 5.000 4.762 4.690 4.867 . 0 0 "[ . 1 ]" 1
411 1 62 VAL QG 1 68 GLY H 5.000 . 5.000 3.913 3.540 4.409 . 0 0 "[ . 1 ]" 1
412 1 65 LYS QE 1 68 GLY H 6.500 . 6.500 5.954 5.468 6.498 . 0 0 "[ . 1 ]" 1
413 1 63 ALA H 1 68 GLY H 7.000 . 7.000 6.411 6.169 6.491 . 0 0 "[ . 1 ]" 1
414 1 64 SER H 1 68 GLY H 6.500 . 6.500 4.079 4.043 4.195 . 0 0 "[ . 1 ]" 1
415 1 63 ALA MB 1 68 GLY H 6.500 . 6.500 5.793 5.575 6.148 . 0 0 "[ . 1 ]" 1
416 1 68 GLY H 1 69 GLN H 3.800 . 3.800 2.937 2.869 2.995 . 0 0 "[ . 1 ]" 1
417 1 69 GLN H 1 70 ARG H 3.800 . 3.800 2.866 2.834 2.911 . 0 0 "[ . 1 ]" 1
418 1 68 GLY QA 1 69 GLN H 4.800 . 4.800 2.559 2.516 2.587 . 0 0 "[ . 1 ]" 1
419 1 66 SER HA 1 69 GLN H 5.500 . 5.500 4.077 4.001 4.238 . 0 0 "[ . 1 ]" 1
420 1 69 GLN H 1 72 ILE HB 6.000 . 6.000 5.727 5.522 5.905 . 0 0 "[ . 1 ]" 1
421 1 69 GLN H 1 72 ILE MD 8.000 . 8.000 4.341 4.178 4.684 . 0 0 "[ . 1 ]" 1
422 1 69 GLN H 1 72 ILE MG 6.000 . 6.000 6.065 5.949 6.151 0.151 10 0 "[ . 1 ]" 1
423 1 69 GLN HA 1 72 ILE H 4.500 . 4.500 3.526 3.472 3.572 . 0 0 "[ . 1 ]" 1
424 1 69 GLN HA 1 70 ARG H 4.500 . 4.500 3.553 3.545 3.568 . 0 0 "[ . 1 ]" 1
425 1 69 GLN HA 1 72 ILE MG 5.500 . 5.500 4.068 3.909 4.139 . 0 0 "[ . 1 ]" 1
426 1 69 GLN HA 1 72 ILE MD 6.500 . 6.500 3.488 3.272 3.741 . 0 0 "[ . 1 ]" 1
427 1 69 GLN HA 1 73 ASN H 6.500 . 6.500 3.835 3.770 3.945 . 0 0 "[ . 1 ]" 1
428 1 69 GLN QB 1 70 ARG H 5.200 . 5.200 2.526 2.446 2.595 . 0 0 "[ . 1 ]" 1
429 1 69 GLN QB 1 72 ILE MG 6.500 . 6.500 5.414 5.283 5.566 . 0 0 "[ . 1 ]" 1
430 1 70 ARG H 1 71 ILE H 3.800 . 3.800 2.894 2.850 2.911 . 0 0 "[ . 1 ]" 1
431 1 67 GLU HA 1 70 ARG H 3.800 . 3.800 3.455 3.325 3.630 . 0 0 "[ . 1 ]" 1
432 1 67 GLU QB 1 70 ARG H 5.000 . 5.000 4.873 4.717 5.048 0.048 2 0 "[ . 1 ]" 1
433 1 70 ARG H 1 73 ASN H 4.500 . 4.500 4.527 4.502 4.547 0.047 9 0 "[ . 1 ]" 1
434 1 70 ARG H 1 73 ASN QB 5.200 . 5.200 4.287 4.133 4.368 . 0 0 "[ . 1 ]" 1
435 1 70 ARG H 1 74 ASN H 5.500 . 5.500 5.690 5.661 5.724 0.224 2 0 "[ . 1 ]" 1
436 1 70 ARG H 1 72 ILE HB 6.500 . 6.500 5.659 5.452 5.792 . 0 0 "[ . 1 ]" 1
437 1 70 ARG H 1 70 ARG QD 6.000 . 6.000 4.410 3.846 4.731 . 0 0 "[ . 1 ]" 1
438 1 69 GLN QG 1 70 ARG H 6.000 . 6.000 4.252 4.069 4.417 . 0 0 "[ . 1 ]" 1
439 1 70 ARG H 1 72 ILE MG 8.000 . 8.000 6.511 6.397 6.561 . 0 0 "[ . 1 ]" 1
440 1 70 ARG H 1 72 ILE MD . . 7.500 5.042 4.926 5.265 . 0 0 "[ . 1 ]" 1
441 1 70 ARG H 1 71 ILE QG 8.000 . 8.000 4.321 3.890 5.440 . 0 0 "[ . 1 ]" 1
442 1 70 ARG QG 1 74 ASN H 6.500 . 6.500 4.274 4.175 4.349 . 0 0 "[ . 1 ]" 1
443 1 70 ARG QG 1 73 ASN QD . . 5.500 4.307 3.564 4.865 . 0 0 "[ . 1 ]" 1
444 1 68 GLY QA 1 70 ARG QD 6.500 . 6.500 6.244 5.997 6.624 0.124 7 0 "[ . 1 ]" 1
445 1 70 ARG QD 1 74 ASN H 6.500 . 6.500 4.757 3.175 5.568 . 0 0 "[ . 1 ]" 1
446 1 67 GLU HA 1 70 ARG QD 6.500 . 6.500 4.403 3.777 5.640 . 0 0 "[ . 1 ]" 1
447 1 70 ARG QD 1 73 ASN QD . . 6.500 4.839 2.723 6.097 . 0 0 "[ . 1 ]" 1
448 1 71 ILE H 1 73 ASN H . . 3.800 3.954 3.936 3.973 0.173 1 0 "[ . 1 ]" 1
449 1 68 GLY QA 1 71 ILE H 4.800 . 4.800 3.276 3.215 3.393 . 0 0 "[ . 1 ]" 1
450 1 71 ILE H 1 72 ILE MG 6.000 . 6.000 5.855 5.809 5.911 . 0 0 "[ . 1 ]" 1
451 1 70 ARG QG 1 71 ILE H 4.500 . 4.500 3.901 3.195 4.195 . 0 0 "[ . 1 ]" 1
452 1 71 ILE H 1 72 ILE QG 5.000 . 5.000 3.735 3.625 3.894 . 0 0 "[ . 1 ]" 1
453 1 71 ILE H 1 72 ILE H . . 3.800 2.775 2.712 2.810 . 0 0 "[ . 1 ]" 1
454 1 67 GLU HA 1 71 ILE H 4.500 . 4.500 4.491 4.365 4.534 0.034 3 0 "[ . 1 ]" 1
455 1 70 ARG HA 1 71 ILE H 4.500 . 4.500 3.560 3.551 3.566 . 0 0 "[ . 1 ]" 1
456 1 71 ILE H 1 73 ASN QB 5.500 . 5.500 4.435 4.360 4.519 . 0 0 "[ . 1 ]" 1
457 1 71 ILE H 1 74 ASN H 4.500 . 4.500 4.289 4.263 4.308 . 0 0 "[ . 1 ]" 1
458 1 71 ILE H 1 71 ILE QG . . 5.000 2.019 1.758 2.960 . 0 0 "[ . 1 ]" 1
459 1 71 ILE HA 1 72 ILE H 5.000 . 5.000 3.521 3.511 3.532 . 0 0 "[ . 1 ]" 1
460 1 71 ILE HA 1 74 ASN H . . 3.800 3.157 3.119 3.217 . 0 0 "[ . 1 ]" 1
461 1 71 ILE HA 1 72 ILE HB 6.000 . 6.000 6.091 6.024 6.152 0.152 3 0 "[ . 1 ]" 1
462 1 71 ILE HB 1 72 ILE H . . 4.800 2.236 2.183 2.377 . 0 0 "[ . 1 ]" 1
463 1 70 ARG H 1 71 ILE HB 6.000 . 6.000 5.197 5.016 5.506 . 0 0 "[ . 1 ]" 1
464 1 71 ILE HB 1 72 ILE MG . . 6.000 4.885 4.686 5.147 . 0 0 "[ . 1 ]" 1
465 1 71 ILE MG 1 73 ASN H 6.000 . 6.000 4.961 4.775 5.179 . 0 0 "[ . 1 ]" 1
466 1 71 ILE MG 1 72 ILE H . . 5.500 3.315 3.068 3.610 . 0 0 "[ . 1 ]" 1
467 1 68 GLY QA 1 71 ILE MG 6.000 . 6.000 4.194 4.057 4.273 . 0 0 "[ . 1 ]" 1
468 1 71 ILE MG 1 72 ILE MG 7.000 . 7.000 4.681 4.463 5.029 . 0 0 "[ . 1 ]" 1
469 1 71 ILE QG 1 73 ASN H 6.000 . 6.000 5.406 5.044 5.783 . 0 0 "[ . 1 ]" 1
470 1 71 ILE QG 1 72 ILE H 6.000 . 6.000 3.722 3.255 4.266 . 0 0 "[ . 1 ]" 1
471 1 68 GLY QA 1 71 ILE QG 6.000 . 6.000 2.674 2.029 3.836 . 0 0 "[ . 1 ]" 1
472 1 71 ILE QG 1 72 ILE MG 7.000 . 7.000 6.122 5.801 6.477 . 0 0 "[ . 1 ]" 1
473 1 71 ILE H 1 71 ILE MD 5.000 . 5.000 2.908 1.953 3.551 . 0 0 "[ . 1 ]" 1
474 1 70 ARG H 1 71 ILE MD 6.000 . 6.000 4.845 3.727 5.417 . 0 0 "[ . 1 ]" 1
475 1 71 ILE MD 1 72 ILE H . . 5.500 4.188 3.576 4.440 . 0 0 "[ . 1 ]" 1
476 1 68 GLY QA 1 71 ILE MD 6.000 . 6.000 3.031 1.805 4.217 . 0 0 "[ . 1 ]" 1
477 1 71 ILE QG 1 74 ASN H 7.000 . 7.000 5.269 5.023 5.487 . 0 0 "[ . 1 ]" 1
478 1 72 ILE H 1 73 ASN H 3.800 . 3.800 2.691 2.659 2.725 . 0 0 "[ . 1 ]" 1
479 1 72 ILE H 1 72 ILE QG . . 5.000 1.880 1.796 1.965 . 0 0 "[ . 1 ]" 1
480 1 72 ILE H 1 72 ILE MD 5.500 . 5.500 1.976 1.917 2.081 . 0 0 "[ . 1 ]" 1
481 1 72 ILE H 1 73 ASN QD 6.500 . 6.500 5.987 4.729 6.608 0.108 4 0 "[ . 1 ]" 1
482 1 72 ILE H 1 73 ASN QB . . 5.500 4.370 4.256 4.455 . 0 0 "[ . 1 ]" 1
483 1 69 GLN QB 1 72 ILE H 6.500 . 6.500 4.989 4.923 5.044 . 0 0 "[ . 1 ]" 1
484 1 69 GLN QG 1 72 ILE H 6.500 . 6.500 5.456 5.315 5.594 . 0 0 "[ . 1 ]" 1
485 1 72 ILE H 1 74 ASN H 4.500 . 4.500 3.980 3.962 4.016 . 0 0 "[ . 1 ]" 1
486 1 71 ILE H 1 72 ILE HA 6.000 . 6.000 5.353 5.308 5.391 . 0 0 "[ . 1 ]" 1
487 1 72 ILE HA 1 74 ASN QB 6.000 . 6.000 4.956 4.937 4.982 . 0 0 "[ . 1 ]" 1
488 1 72 ILE HA 1 76 GLY H . . 4.500 4.006 3.923 4.093 . 0 0 "[ . 1 ]" 1
489 1 71 ILE QG 1 72 ILE HA 6.000 . 6.000 5.659 5.435 5.777 . 0 0 "[ . 1 ]" 1
490 1 71 ILE MG 1 72 ILE HA 7.000 . 7.000 3.568 3.220 4.035 . 0 0 "[ . 1 ]" 1
491 1 71 ILE H 1 72 ILE HB 6.000 . 6.000 5.348 5.220 5.455 . 0 0 "[ . 1 ]" 1
492 1 69 GLN QB 1 72 ILE HB 7.000 . 7.000 4.588 4.366 4.852 . 0 0 "[ . 1 ]" 1
493 1 72 ILE MG 1 73 ASN H 5.000 . 5.000 3.869 3.779 3.931 . 0 0 "[ . 1 ]" 1
494 1 72 ILE MG 1 73 ASN HA 6.000 . 6.000 4.458 4.224 4.602 . 0 0 "[ . 1 ]" 1
495 1 71 ILE HA 1 72 ILE MG 6.000 . 6.000 6.069 6.034 6.107 0.107 10 0 "[ . 1 ]" 1
496 1 70 ARG QG 1 72 ILE MG 7.500 . 7.500 7.561 7.489 7.625 0.125 4 0 "[ . 1 ]" 1
497 1 72 ILE MG 1 74 ASN H 6.000 . 6.000 5.364 5.303 5.403 . 0 0 "[ . 1 ]" 1
498 1 72 ILE QG 1 73 ASN H 5.000 . 5.000 3.135 2.959 3.372 . 0 0 "[ . 1 ]" 1
499 1 68 GLY QA 1 72 ILE QG . . 6.000 3.588 3.520 3.708 . 0 0 "[ . 1 ]" 1
500 1 72 ILE QG 1 73 ASN HA 6.000 . 6.000 5.289 5.142 5.475 . 0 0 "[ . 1 ]" 1
501 1 71 ILE HA 1 72 ILE QG 6.000 . 6.000 5.145 5.048 5.256 . 0 0 "[ . 1 ]" 1
502 1 71 ILE HB 1 72 ILE QG 6.000 . 6.000 3.521 3.456 3.605 . 0 0 "[ . 1 ]" 1
503 1 70 ARG QG 1 72 ILE QG 7.500 . 7.500 6.281 6.038 6.543 . 0 0 "[ . 1 ]" 1
504 1 68 GLY QA 1 72 ILE MD 5.500 . 5.500 3.015 2.898 3.279 . 0 0 "[ . 1 ]" 1
505 1 71 ILE HA 1 72 ILE MD 5.500 . 5.500 4.487 4.423 4.563 . 0 0 "[ . 1 ]" 1
506 1 71 ILE HB 1 72 ILE MD 6.500 . 6.500 2.207 2.068 2.498 . 0 0 "[ . 1 ]" 1
507 1 67 GLU QB 1 72 ILE MD 6.500 . 6.500 6.257 6.064 6.679 0.179 5 0 "[ . 1 ]" 1
508 1 71 ILE MG 1 72 ILE MD 6.500 . 6.500 3.047 2.650 3.387 . 0 0 "[ . 1 ]" 1
509 1 72 ILE MD 1 73 ASN H 6.000 . 6.000 4.034 3.997 4.077 . 0 0 "[ . 1 ]" 1
510 1 72 ILE MD 1 74 ASN H 6.000 . 6.000 5.231 5.177 5.295 . 0 0 "[ . 1 ]" 1
511 1 72 ILE MD 1 73 ASN HA 6.000 . 6.000 5.922 5.896 5.946 . 0 0 "[ . 1 ]" 1
512 1 69 GLN QB 1 72 ILE MD 7.500 . 7.500 5.006 4.837 5.232 . 0 0 "[ . 1 ]" 1
513 1 73 ASN H 1 74 ASN H 3.800 . 3.800 2.598 2.573 2.623 . 0 0 "[ . 1 ]" 1
514 1 70 ARG HA 1 73 ASN H 4.500 . 4.500 3.486 3.415 3.581 . 0 0 "[ . 1 ]" 1
515 1 72 ILE HA 1 73 ASN H 4.500 . 4.500 3.513 3.499 3.526 . 0 0 "[ . 1 ]" 1
516 1 73 ASN H 1 74 ASN QB . . 4.800 4.185 4.160 4.230 . 0 0 "[ . 1 ]" 1
517 1 69 GLN QB 1 73 ASN H 5.800 . 5.800 4.432 4.357 4.540 . 0 0 "[ . 1 ]" 1
518 1 69 GLN QG 1 73 ASN H 6.500 . 6.500 5.458 4.953 5.814 . 0 0 "[ . 1 ]" 1
519 1 72 ILE HB 1 73 ASN H 6.500 . 6.500 2.490 2.446 2.536 . 0 0 "[ . 1 ]" 1
520 1 71 ILE HB 1 73 ASN H 6.500 . 6.500 4.709 4.667 4.815 . 0 0 "[ . 1 ]" 1
521 1 73 ASN H 1 77 ALA MB 6.500 . 6.500 6.118 5.927 6.265 . 0 0 "[ . 1 ]" 1
522 1 73 ASN HA 1 74 ASN H . . 3.800 3.494 3.489 3.498 . 0 0 "[ . 1 ]" 1
523 1 73 ASN QB 1 74 ASN H 4.800 . 4.800 2.320 2.269 2.400 . 0 0 "[ . 1 ]" 1
524 1 73 ASN QB 1 75 ASN H 6.000 . 6.000 4.369 4.341 4.392 . 0 0 "[ . 1 ]" 1
525 1 73 ASN QB 1 74 ASN QD 6.000 . 6.000 5.255 5.188 5.285 . 0 0 "[ . 1 ]" 1
526 1 70 ARG HA 1 73 ASN QB 5.800 . 5.800 2.255 2.124 2.378 . 0 0 "[ . 1 ]" 1
527 1 70 ARG QG 1 73 ASN QB 6.300 . 6.300 3.562 3.217 4.273 . 0 0 "[ . 1 ]" 1
528 1 70 ARG HA 1 73 ASN QD 5.500 . 5.500 3.239 1.985 4.421 . 0 0 "[ . 1 ]" 1
529 1 73 ASN QD 1 74 ASN QB 5.500 . 5.500 4.979 4.144 5.553 0.053 1 0 "[ . 1 ]" 1
530 1 70 ARG QB 1 73 ASN QD 6.500 . 6.500 4.796 3.761 5.808 . 0 0 "[ . 1 ]" 1
531 1 72 ILE MD 1 73 ASN QD 7.500 . 7.500 6.663 5.438 7.268 . 0 0 "[ . 1 ]" 1
532 1 71 ILE HA 1 73 ASN QD 7.000 . 7.000 6.147 5.882 6.720 . 0 0 "[ . 1 ]" 1
533 1 71 ILE H 1 73 ASN QD 7.000 . 7.000 5.847 4.607 6.645 . 0 0 "[ . 1 ]" 1
534 1 74 ASN H 1 75 ASN H . . 4.200 2.678 2.653 2.700 . 0 0 "[ . 1 ]" 1
535 1 70 ARG HA 1 74 ASN H 5.500 . 5.500 3.818 3.766 3.859 . 0 0 "[ . 1 ]" 1
536 1 74 ASN H 1 76 GLY QA 6.500 . 6.500 6.080 6.046 6.125 . 0 0 "[ . 1 ]" 1
537 1 74 ASN H 1 75 ASN QB 6.500 . 6.500 4.743 4.706 4.772 . 0 0 "[ . 1 ]" 1
538 1 72 ILE HB 1 74 ASN H 6.500 . 6.500 4.870 4.842 4.893 . 0 0 "[ . 1 ]" 1
539 1 71 ILE MD 1 74 ASN H 7.000 . 7.000 5.352 4.569 6.291 . 0 0 "[ . 1 ]" 1
540 1 71 ILE HA 1 74 ASN QB 5.200 . 5.200 1.926 1.840 1.968 . 0 0 "[ . 1 ]" 1
541 1 74 ASN QB 1 75 ASN H . . 4.800 3.085 3.061 3.117 . 0 0 "[ . 1 ]" 1
542 1 71 ILE HA 1 74 ASN QD 5.000 . 5.000 1.968 1.945 1.999 . 0 0 "[ . 1 ]" 1
543 1 70 ARG HA 1 74 ASN QD 6.000 . 6.000 6.161 6.131 6.184 0.184 2 0 "[ . 1 ]" 1
544 1 73 ASN H 1 74 ASN QD 6.000 . 6.000 4.857 4.826 4.871 . 0 0 "[ . 1 ]" 1
545 1 71 ILE H 1 74 ASN QD 6.000 . 6.000 4.454 4.434 4.471 . 0 0 "[ . 1 ]" 1
546 1 73 ASN HA 1 74 ASN QD 6.000 . 6.000 6.189 6.171 6.210 0.210 4 0 "[ . 1 ]" 1
547 1 70 ARG QD 1 74 ASN QD 6.000 . 6.000 5.695 4.955 6.023 0.023 7 0 "[ . 1 ]" 1
548 1 70 ARG QB 1 74 ASN QD 6.000 . 6.000 5.568 5.414 5.889 . 0 0 "[ . 1 ]" 1
549 1 70 ARG QG 1 74 ASN QD 6.000 . 6.000 5.672 4.889 6.033 0.033 5 0 "[ . 1 ]" 1
550 1 72 ILE MD 1 74 ASN QD 6.500 . 6.500 4.458 4.356 4.585 . 0 0 "[ . 1 ]" 1
551 1 75 ASN H 1 76 GLY QA . . 4.500 4.378 4.351 4.408 . 0 0 "[ . 1 ]" 1
552 1 73 ASN H 1 75 ASN H 5.500 . 5.500 3.826 3.787 3.862 . 0 0 "[ . 1 ]" 1
553 1 75 ASN H 1 76 GLY H . . 3.800 2.454 2.417 2.496 . 0 0 "[ . 1 ]" 1
554 1 70 ARG QG 1 75 ASN H 7.000 . 7.000 6.656 6.398 6.807 . 0 0 "[ . 1 ]" 1
555 1 72 ILE MG 1 75 ASN H 7.000 . 7.000 4.484 4.419 4.558 . 0 0 "[ . 1 ]" 1
556 1 76 GLY H 1 77 ALA H 3.800 . 3.800 2.600 2.413 2.737 . 0 0 "[ . 1 ]" 1
557 1 71 ILE MG 1 76 GLY H 5.500 . 5.500 3.383 3.191 3.543 . 0 0 "[ . 1 ]" 1
558 1 76 GLY H 1 77 ALA HA 4.500 . 4.500 4.817 4.777 4.866 0.366 5 0 "[ . 1 ]" 1
559 1 73 ASN QB 1 76 GLY H 6.000 . 6.000 6.360 6.301 6.410 0.410 11 0 "[ . 1 ]" 1
560 1 72 ILE HB 1 76 GLY H 6.500 . 6.500 6.613 6.563 6.670 0.170 9 0 "[ . 1 ]" 1
561 1 76 GLY H 1 77 ALA MB . . 3.800 3.530 3.461 3.614 . 0 0 "[ . 1 ]" 1
562 1 71 ILE HB 1 76 GLY H 6.500 . 6.500 5.561 5.228 5.738 . 0 0 "[ . 1 ]" 1
563 1 74 ASN QB 1 76 GLY H 5.200 . 5.200 3.730 3.692 3.766 . 0 0 "[ . 1 ]" 1
564 1 73 ASN H 1 76 GLY H 5.500 . 5.500 5.813 5.761 5.868 0.368 2 0 "[ . 1 ]" 1
565 1 72 ILE MG 1 76 GLY H 7.000 . 7.000 5.305 5.241 5.417 . 0 0 "[ . 1 ]" 1
566 1 74 ASN QD 1 76 GLY H 6.500 . 6.500 2.055 2.029 2.079 . 0 0 "[ . 1 ]" 1
567 1 75 ASN HA 1 76 GLY QA 4.500 . 4.500 4.116 4.101 4.128 . 0 0 "[ . 1 ]" 1
568 1 77 ALA H 1 78 TYR H 4.300 . 4.300 4.435 4.406 4.450 0.150 11 0 "[ . 1 ]" 1
569 1 76 GLY QA 1 77 ALA H 4.500 . 4.500 2.822 2.746 2.887 . 0 0 "[ . 1 ]" 1
570 1 72 ILE HA 1 77 ALA H 4.500 . 4.500 4.394 4.093 4.551 0.051 1 0 "[ . 1 ]" 1
571 1 75 ASN H 1 77 ALA H 5.200 . 5.200 4.396 4.159 4.546 . 0 0 "[ . 1 ]" 1
572 1 75 ASN QD 1 77 ALA H 6.500 . 6.500 5.040 3.992 5.675 . 0 0 "[ . 1 ]" 1
573 1 74 ASN QD 1 77 ALA H 7.500 . 7.500 3.860 3.639 3.985 . 0 0 "[ . 1 ]" 1
574 1 74 ASN QB 1 77 ALA H 6.500 . 6.500 6.000 5.764 6.126 . 0 0 "[ . 1 ]" 1
575 1 71 ILE HB 1 77 ALA H 8.500 . 8.500 6.600 5.985 6.876 . 0 0 "[ . 1 ]" 1
576 1 72 ILE HB 1 77 ALA H 8.500 . 8.500 7.271 7.020 7.411 . 0 0 "[ . 1 ]" 1
577 1 77 ALA HA 1 78 TYR H . . 3.800 2.374 2.338 2.399 . 0 0 "[ . 1 ]" 1
578 1 76 GLY QA 1 77 ALA MB 4.500 . 4.500 3.981 3.959 4.005 . 0 0 "[ . 1 ]" 1
579 1 77 ALA MB 1 78 TYR H . . 4.500 2.475 2.367 2.534 . 0 0 "[ . 1 ]" 1
580 1 75 ASN QD 1 77 ALA MB 6.500 . 6.500 5.978 5.453 6.367 . 0 0 "[ . 1 ]" 1
581 1 78 TYR H 1 79 VAL H 4.500 . 4.500 4.440 4.412 4.456 . 0 0 "[ . 1 ]" 1
582 1 78 TYR HA 1 79 VAL H 3.800 . 3.800 2.431 2.373 2.472 . 0 0 "[ . 1 ]" 1
583 1 78 TYR HA 1 78 TYR QE 5.500 . 5.500 5.227 4.505 5.504 0.004 9 0 "[ . 1 ]" 1
584 1 78 TYR QB 1 79 VAL H . . 5.200 3.200 2.963 3.442 . 0 0 "[ . 1 ]" 1
585 1 77 ALA MB 1 78 TYR QB 6.000 . 6.000 4.335 4.222 4.437 . 0 0 "[ . 1 ]" 1
586 1 78 TYR QD 1 80 GLY QA 8.000 . 8.000 4.344 4.043 4.479 . 0 0 "[ . 1 ]" 1
587 1 78 TYR QE 1 80 GLY QA 8.000 . 8.000 3.326 2.932 4.482 . 0 0 "[ . 1 ]" 1
588 1 78 TYR HH 1 80 GLY QA 8.000 . 8.000 3.554 2.014 7.316 . 0 0 "[ . 1 ]" 1
589 1 79 VAL H 1 80 GLY QA 5.500 . 5.500 4.580 4.508 4.644 . 0 0 "[ . 1 ]" 1
590 1 79 VAL HA 1 80 GLY H 3.800 . 3.800 2.102 2.085 2.110 . 0 0 "[ . 1 ]" 1
591 1 78 TYR HA 1 79 VAL QG 4.500 . 4.500 4.332 4.103 4.381 . 0 0 "[ . 1 ]" 1
592 1 78 TYR QE 1 79 VAL QG 5.200 . 5.200 4.639 4.384 5.259 0.059 4 0 "[ . 1 ]" 1
593 1 79 VAL QG 1 80 GLY QA 6.000 . 6.000 3.111 3.056 3.160 . 0 0 "[ . 1 ]" 1
594 1 79 VAL HB 1 80 GLY H 5.000 . 5.000 4.333 4.295 4.366 . 0 0 "[ . 1 ]" 1
595 1 78 TYR QD 1 80 GLY H 7.000 . 7.000 4.791 4.550 4.896 . 0 0 "[ . 1 ]" 1
596 1 78 TYR QE 1 80 GLY H 7.000 . 7.000 4.546 3.904 6.092 . 0 0 "[ . 1 ]" 1
597 1 80 GLY H 1 81 SER HA 5.500 . 5.500 4.956 4.907 5.011 . 0 0 "[ . 1 ]" 1
598 1 79 VAL QG 1 80 GLY H 4.500 . 4.500 2.587 2.502 2.649 . 0 0 "[ . 1 ]" 1
599 1 79 VAL HA 1 80 GLY QA 5.500 . 5.500 3.831 3.817 3.842 . 0 0 "[ . 1 ]" 1
600 1 80 GLY QA 1 81 SER HA 6.000 . 6.000 3.931 3.916 3.947 . 0 0 "[ . 1 ]" 1
601 1 81 SER H 1 82 ARG H 4.300 . 4.300 4.388 4.362 4.424 0.124 3 0 "[ . 1 ]" 1
602 1 80 GLY QA 1 81 SER H 4.800 . 4.800 2.148 2.127 2.183 . 0 0 "[ . 1 ]" 1
603 1 80 GLY H 1 81 SER H . . 4.500 4.427 4.402 4.456 . 0 0 "[ . 1 ]" 1
604 1 78 TYR QE 1 81 SER H 6.500 . 6.500 5.459 5.136 6.700 0.200 4 0 "[ . 1 ]" 1
605 1 78 TYR QD 1 81 SER H 6.500 . 6.500 6.831 6.660 6.906 0.406 2 0 "[ . 1 ]" 1
606 1 79 VAL HA 1 81 SER H 6.000 . 6.000 6.240 6.184 6.308 0.308 9 0 "[ . 1 ]" 1
607 1 79 VAL QG 1 81 SER H 6.000 . 6.000 4.390 4.215 4.558 . 0 0 "[ . 1 ]" 1
608 1 81 SER H 1 82 ARG QB 6.500 . 6.500 4.364 4.161 4.899 . 0 0 "[ . 1 ]" 1
609 1 81 SER QB 1 82 ARG H . . 4.500 3.239 2.868 3.651 . 0 0 "[ . 1 ]" 1
610 1 79 VAL QG 1 81 SER QB 7.000 . 7.000 4.178 3.721 4.697 . 0 0 "[ . 1 ]" 1
611 1 81 SER HA 1 82 ARG H 3.800 . 3.800 2.239 2.210 2.283 . 0 0 "[ . 1 ]" 1
612 1 80 GLY QA 1 82 ARG H 5.500 . 5.500 5.481 5.429 5.576 0.076 3 0 "[ . 1 ]" 1
613 1 82 ARG H 1 82 ARG QG 4.500 . 4.500 4.005 2.389 4.496 . 0 0 "[ . 1 ]" 1
614 1 81 SER QB 1 82 ARG QB 4.500 . 4.500 4.589 4.473 4.795 0.295 6 0 "[ . 1 ]" 1
615 1 85 VAL H 1 86 LYS H 3.800 . 3.800 2.273 2.068 2.886 . 0 0 "[ . 1 ]" 1
616 1 85 VAL H 1 86 LYS QE 5.500 . 5.500 5.112 4.309 5.556 0.056 1 0 "[ . 1 ]" 1
617 1 85 VAL HA 1 86 LYS H 3.800 . 3.800 3.294 3.058 3.524 . 0 0 "[ . 1 ]" 1
618 1 85 VAL HA 1 86 LYS QB 4.500 . 4.500 5.194 5.018 5.360 0.860 4 12 [***+*-******] 1
619 1 85 VAL HA 1 86 LYS QG 4.500 . 4.500 4.645 4.506 4.762 0.262 7 0 "[ . 1 ]" 1
620 1 85 VAL HB 1 86 LYS H 3.800 . 3.800 3.876 3.790 4.062 0.262 8 0 "[ . 1 ]" 1
621 1 86 LYS H 1 86 LYS QG 4.500 . 4.500 2.833 2.327 3.166 . 0 0 "[ . 1 ]" 1
622 1 85 VAL QG 1 86 LYS H 4.500 . 4.500 2.788 1.862 3.738 . 0 0 "[ . 1 ]" 1
623 1 86 LYS H 1 87 LYS QE 6.500 . 6.500 5.933 4.826 6.500 0.000 8 0 "[ . 1 ]" 1
624 1 85 VAL QG 1 86 LYS HA 7.000 . 7.000 3.569 2.930 4.345 . 0 0 "[ . 1 ]" 1
625 1 86 LYS HA 1 87 LYS H 3.800 . 3.800 2.200 2.082 2.343 . 0 0 "[ . 1 ]" 1
626 1 86 LYS QB 1 87 LYS H 4.500 . 4.500 3.032 2.430 3.668 . 0 0 "[ . 1 ]" 1
627 1 86 LYS QG 1 87 LYS H 3.800 . 3.800 3.892 3.526 4.137 0.337 5 0 "[ . 1 ]" 1
628 1 85 VAL QG 1 87 LYS H 4.500 . 4.500 4.584 3.916 4.806 0.306 9 0 "[ . 1 ]" 1
629 1 87 LYS H 1 87 LYS QE 5.500 . 5.500 4.381 2.616 5.369 . 0 0 "[ . 1 ]" 1
630 1 87 LYS HA 1 88 ASN H 3.800 . 3.800 3.115 2.900 3.567 . 0 0 "[ . 1 ]" 1
631 1 88 ASN H 1 89 GLU H . . 3.800 4.153 4.095 4.239 0.439 8 0 "[ . 1 ]" 1
632 1 88 ASN HA 1 89 GLU H 3.800 . 3.800 2.144 2.122 2.158 . 0 0 "[ . 1 ]" 1
633 1 87 LYS HA 1 89 GLU H 5.000 . 5.000 5.058 4.951 5.299 0.299 6 0 "[ . 1 ]" 1
634 1 88 ASN QB 1 89 GLU H 5.500 . 5.500 3.734 3.623 3.959 . 0 0 "[ . 1 ]" 1
635 1 96 ASP H 1 97 ASP H 4.200 . 4.200 1.743 1.704 1.815 . 0 0 "[ . 1 ]" 1
636 1 96 ASP H 1 97 ASP HA 4.200 . 4.200 4.397 4.337 4.474 0.274 8 0 "[ . 1 ]" 1
637 1 96 ASP H 1 97 ASP QB . . 4.500 3.737 3.449 4.174 . 0 0 "[ . 1 ]" 1
638 1 95 PRO QG 1 96 ASP H 5.500 . 5.500 4.426 4.159 4.965 . 0 0 "[ . 1 ]" 1
639 1 95 PRO QD 1 96 ASP H 6.500 . 6.500 4.912 4.671 4.992 . 0 0 "[ . 1 ]" 1
640 1 95 PRO QB 1 96 ASP H 5.500 . 5.500 2.827 2.544 3.488 . 0 0 "[ . 1 ]" 1
641 1 97 ASP H 1 98 LEU H 3.800 . 3.800 2.600 2.403 2.690 . 0 0 "[ . 1 ]" 1
642 1 97 ASP H 1 99 THR HA 6.500 . 6.500 6.578 6.539 6.617 0.117 11 0 "[ . 1 ]" 1
643 1 98 LEU H 1 98 LEU HG . . 4.800 4.164 4.059 4.283 . 0 0 "[ . 1 ]" 1
644 1 98 LEU H 1 98 LEU QD . . 4.800 3.915 3.877 3.945 . 0 0 "[ . 1 ]" 1
645 1 95 PRO QB 1 98 LEU H 6.500 . 6.500 3.017 2.503 3.764 . 0 0 "[ . 1 ]" 1
646 1 97 ASP HA 1 98 LEU H . . 3.800 3.500 3.465 3.523 . 0 0 "[ . 1 ]" 1
647 1 97 ASP QB 1 98 LEU H . . 4.800 2.760 2.427 3.398 . 0 0 "[ . 1 ]" 1
648 1 98 LEU H 1 98 LEU QB . . 3.800 2.495 2.397 2.521 . 0 0 "[ . 1 ]" 1
649 1 98 LEU H 1 99 THR H 4.500 . 4.500 4.363 4.327 4.410 . 0 0 "[ . 1 ]" 1
650 1 96 ASP H 1 98 LEU H 5.500 . 5.500 3.531 2.955 3.796 . 0 0 "[ . 1 ]" 1
651 1 95 PRO QD 1 98 LEU H 6.500 . 6.500 5.858 5.330 6.330 . 0 0 "[ . 1 ]" 1
652 1 95 PRO QG 1 98 LEU H 6.500 . 6.500 4.568 3.539 5.729 . 0 0 "[ . 1 ]" 1
653 1 98 LEU HA 1 98 LEU HG . . 4.500 3.245 3.133 3.422 . 0 0 "[ . 1 ]" 1
654 1 97 ASP QB 1 98 LEU HA 6.000 . 6.000 4.306 4.190 4.656 . 0 0 "[ . 1 ]" 1
655 1 97 ASP H 1 98 LEU HA 5.500 . 5.500 5.173 5.031 5.253 . 0 0 "[ . 1 ]" 1
656 1 98 LEU QB 1 99 THR H 4.500 . 4.500 3.613 3.565 3.646 . 0 0 "[ . 1 ]" 1
657 1 96 ASP H 1 98 LEU QB 5.500 . 5.500 5.511 4.946 5.733 0.233 3 0 "[ . 1 ]" 1
658 1 98 LEU HG 1 100 PHE H 4.500 . 4.500 4.554 4.442 4.635 0.135 9 0 "[ . 1 ]" 1
659 1 98 LEU HG 1 99 THR H 4.500 . 4.500 2.847 2.629 3.129 . 0 0 "[ . 1 ]" 1
660 1 98 LEU HG 1 99 THR HB 5.500 . 5.500 5.227 5.048 5.469 . 0 0 "[ . 1 ]" 1
661 1 95 PRO QD 1 98 LEU HG 7.000 . 7.000 6.659 5.743 7.136 0.136 8 0 "[ . 1 ]" 1
662 1 97 ASP QB 1 98 LEU HG 6.500 . 6.500 5.916 5.674 6.536 0.036 5 0 "[ . 1 ]" 1
663 1 95 PRO QG 1 98 LEU HG 7.000 . 7.000 5.281 4.158 6.436 . 0 0 "[ . 1 ]" 1
664 1 95 PRO QB 1 98 LEU HG 7.000 . 7.000 4.893 3.976 5.848 . 0 0 "[ . 1 ]" 1
665 1 97 ASP H 1 98 LEU QD 6.200 . 6.200 5.765 5.576 5.841 . 0 0 "[ . 1 ]" 1
666 1 98 LEU QD 1 99 THR H 5.700 . 5.700 2.320 1.921 2.561 . 0 0 "[ . 1 ]" 1
667 1 99 THR H 1 99 THR HG1 4.500 . 4.500 2.822 2.537 3.503 . 0 0 "[ . 1 ]" 1
668 1 99 THR H 1 100 PHE HA 7.000 . 7.000 4.937 4.893 4.975 . 0 0 "[ . 1 ]" 1
669 1 99 THR H 1 100 PHE QD 8.000 . 8.000 4.352 3.965 4.809 . 0 0 "[ . 1 ]" 1
670 1 99 THR H 1 100 PHE QE 8.000 . 8.000 5.251 4.478 6.677 . 0 0 "[ . 1 ]" 1
671 1 99 THR H 1 100 PHE HZ 9.000 . 9.000 7.149 6.229 9.013 0.013 3 0 "[ . 1 ]" 1
672 1 99 THR H 1 100 PHE QB 7.000 . 7.000 5.421 5.120 5.629 . 0 0 "[ . 1 ]" 1
673 1 99 THR HA 1 100 PHE QB 6.500 . 6.500 4.003 3.841 4.149 . 0 0 "[ . 1 ]" 1
674 1 95 PRO QB 1 99 THR HA . . 6.000 4.472 2.602 6.038 0.038 5 0 "[ . 1 ]" 1
675 1 98 LEU H 1 99 THR HA 5.500 . 5.500 4.709 4.647 4.783 . 0 0 "[ . 1 ]" 1
676 1 99 THR HA 1 100 PHE H . . 3.800 2.186 2.159 2.208 . 0 0 "[ . 1 ]" 1
677 1 99 THR HB 1 100 PHE H . . 3.800 3.652 3.270 3.774 . 0 0 "[ . 1 ]" 1
678 1 99 THR HB 1 101 THR HB 6.000 . 6.000 5.836 5.318 6.220 0.220 4 0 "[ . 1 ]" 1
679 1 98 LEU H 1 99 THR HG1 5.000 . 5.000 4.065 3.838 4.532 . 0 0 "[ . 1 ]" 1
680 1 98 LEU HA 1 99 THR HG1 5.000 . 5.000 3.610 3.325 4.532 . 0 0 "[ . 1 ]" 1
681 1 99 THR HG1 1 100 PHE HA 5.000 . 5.000 3.706 3.444 4.222 . 0 0 "[ . 1 ]" 1
682 1 99 THR HG1 1 101 THR HA 6.500 . 6.500 4.369 4.225 4.647 . 0 0 "[ . 1 ]" 1
683 1 97 ASP QB 1 99 THR HG1 6.500 . 6.500 5.806 5.557 6.118 . 0 0 "[ . 1 ]" 1
684 1 95 PRO QB 1 99 THR HG1 6.500 . 6.500 4.381 2.797 5.557 . 0 0 "[ . 1 ]" 1
685 1 100 PHE H 1 100 PHE QB 3.800 . 3.800 2.570 2.532 2.615 . 0 0 "[ . 1 ]" 1
686 1 100 PHE H 1 101 THR H 4.500 . 4.500 4.267 4.232 4.333 . 0 0 "[ . 1 ]" 1
687 1 99 THR H 1 100 PHE H 5.500 . 5.500 4.373 4.363 4.382 . 0 0 "[ . 1 ]" 1
688 1 99 THR HG1 1 100 PHE H 5.500 . 5.500 1.972 1.868 2.121 . 0 0 "[ . 1 ]" 1
689 1 100 PHE H 1 101 THR HG1 6.500 . 6.500 4.827 3.937 5.180 . 0 0 "[ . 1 ]" 1
690 1 100 PHE HA 1 101 THR H 3.800 . 3.800 2.252 2.223 2.303 . 0 0 "[ . 1 ]" 1
691 1 99 THR HA 1 100 PHE HA 5.500 . 5.500 4.405 4.391 4.415 . 0 0 "[ . 1 ]" 1
692 1 100 PHE QB 1 101 THR HA 5.500 . 5.500 3.994 3.929 4.071 . 0 0 "[ . 1 ]" 1
693 1 98 LEU QB 1 100 PHE QB 6.500 . 6.500 6.183 5.858 6.436 . 0 0 "[ . 1 ]" 1
694 1 100 PHE QB 1 101 THR H 6.500 . 6.500 3.162 3.073 3.420 . 0 0 "[ . 1 ]" 1
695 1 101 THR HG1 1 106 TRP HZ3 6.500 . 6.500 3.962 2.108 5.274 . 0 0 "[ . 1 ]" 1
696 1 101 THR HG1 1 106 TRP HE3 6.500 . 6.500 4.475 2.850 5.672 . 0 0 "[ . 1 ]" 1
697 1 101 THR HG1 1 103 ILE MD 6.000 . 6.000 3.093 2.607 3.804 . 0 0 "[ . 1 ]" 1
698 1 101 THR HG1 1 103 ILE QG 7.000 . 7.000 4.417 3.916 5.031 . 0 0 "[ . 1 ]" 1
699 1 101 THR HG1 1 106 TRP HH2 7.500 . 7.500 3.263 1.829 3.901 . 0 0 "[ . 1 ]" 1
700 1 101 THR HG1 1 106 TRP HD1 7.500 . 7.500 5.104 3.749 6.206 . 0 0 "[ . 1 ]" 1
701 1 101 THR HG1 1 103 ILE HA 5.500 . 5.500 2.396 2.139 2.919 . 0 0 "[ . 1 ]" 1
702 1 99 THR HB 1 101 THR HG1 5.500 . 5.500 5.204 4.135 5.571 0.071 12 0 "[ . 1 ]" 1
703 1 102 PRO QB 1 103 ILE H . . 5.500 3.879 3.728 3.948 . 0 0 "[ . 1 ]" 1
704 1 103 ILE H 1 103 ILE MD 5.500 . 5.500 3.505 3.191 3.693 . 0 0 "[ . 1 ]" 1
705 1 103 ILE H 1 104 LYS HA 5.500 . 5.500 5.365 5.332 5.418 . 0 0 "[ . 1 ]" 1
706 1 103 ILE H 1 106 TRP HH2 8.000 . 8.000 4.725 3.455 5.428 . 0 0 "[ . 1 ]" 1
707 1 101 THR HB 1 103 ILE H 5.000 . 5.000 3.500 2.718 4.038 . 0 0 "[ . 1 ]" 1
708 1 103 ILE HA 1 106 TRP HE1 7.500 . 7.500 5.681 3.717 7.569 0.069 11 0 "[ . 1 ]" 1
709 1 103 ILE HA 1 106 TRP HZ3 7.500 . 7.500 6.790 4.637 7.640 0.140 7 0 "[ . 1 ]" 1
710 1 103 ILE HA 1 106 TRP HH2 7.500 . 7.500 5.683 2.626 6.921 . 0 0 "[ . 1 ]" 1
711 1 103 ILE HA 1 104 LYS QB 6.000 . 6.000 4.849 4.763 5.153 . 0 0 "[ . 1 ]" 1
712 1 103 ILE MG 1 106 TRP HZ3 8.000 . 8.000 7.485 6.908 8.067 0.067 10 0 "[ . 1 ]" 1
713 1 103 ILE MG 1 106 TRP HD1 8.000 . 8.000 7.983 7.538 8.253 0.253 5 0 "[ . 1 ]" 1
714 1 103 ILE MG 1 105 THR HA . . 6.000 6.292 6.050 6.474 0.474 3 0 "[ . 1 ]" 1
715 1 103 ILE MD 1 106 TRP HE1 8.000 . 8.000 6.097 4.172 8.080 0.080 10 0 "[ . 1 ]" 1
716 1 103 ILE MD 1 106 TRP HZ3 8.000 . 8.000 7.057 3.802 8.184 0.184 6 0 "[ . 1 ]" 1
717 1 103 ILE MD 1 105 THR HA 7.000 . 7.000 4.909 4.258 5.872 . 0 0 "[ . 1 ]" 1
718 1 104 LYS HA 1 105 THR H 3.800 . 3.800 2.151 2.081 2.291 . 0 0 "[ . 1 ]" 1
719 1 105 THR H 1 106 TRP H . . 3.800 4.360 4.318 4.391 0.591 2 12 [*+-*********] 1
720 1 105 THR H 1 105 THR HB 4.000 . 4.000 2.594 2.482 2.697 . 0 0 "[ . 1 ]" 1
721 1 104 LYS QB 1 105 THR H 4.800 . 4.800 3.393 2.986 3.756 . 0 0 "[ . 1 ]" 1
722 1 104 LYS QG 1 105 THR H 4.800 . 4.800 3.459 3.001 4.400 . 0 0 "[ . 1 ]" 1
723 1 103 ILE MD 1 105 THR H 6.800 . 6.800 5.301 4.641 6.422 . 0 0 "[ . 1 ]" 1
724 1 103 ILE QG 1 105 THR H 6.800 . 6.800 5.280 4.851 6.197 . 0 0 "[ . 1 ]" 1
725 1 103 ILE HA 1 105 THR H 6.800 . 6.800 5.587 5.270 6.102 . 0 0 "[ . 1 ]" 1
726 1 102 PRO QD 1 105 THR H 7.000 . 7.000 6.894 6.583 7.130 0.130 4 0 "[ . 1 ]" 1
727 1 103 ILE MG 1 105 THR H 6.800 . 6.800 5.154 4.774 5.509 . 0 0 "[ . 1 ]" 1
728 1 105 THR HA 1 106 TRP H 4.300 . 4.300 1.984 1.964 2.010 . 0 0 "[ . 1 ]" 1
729 1 105 THR HA 1 106 TRP HZ3 7.500 . 7.500 6.965 5.202 7.576 0.076 5 0 "[ . 1 ]" 1
730 1 105 THR HB 1 106 TRP H 4.500 . 4.500 4.093 4.047 4.149 . 0 0 "[ . 1 ]" 1
731 1 104 LYS HA 1 105 THR HB 4.800 . 4.800 4.580 4.445 4.736 . 0 0 "[ . 1 ]" 1
732 1 106 TRP H 1 107 ASN HA 4.500 . 4.500 4.171 4.081 4.271 . 0 0 "[ . 1 ]" 1
733 1 105 THR HG1 1 106 TRP H 3.800 . 3.800 3.411 2.799 3.800 0.000 9 0 "[ . 1 ]" 1
734 1 106 TRP H 1 107 ASN H 4.500 . 4.500 3.981 3.880 4.199 . 0 0 "[ . 1 ]" 1
735 1 106 TRP H 1 106 TRP HH2 7.500 . 7.500 6.998 5.547 7.538 0.038 5 0 "[ . 1 ]" 1
736 1 103 ILE QG 1 106 TRP H 8.500 . 8.500 7.144 6.808 7.435 . 0 0 "[ . 1 ]" 1
737 1 106 TRP H 1 110 LYS QG 7.000 . 7.000 4.627 4.251 4.984 . 0 0 "[ . 1 ]" 1
738 1 106 TRP H 1 110 LYS QD 7.000 . 7.000 5.744 4.745 6.597 . 0 0 "[ . 1 ]" 1
739 1 101 THR HG1 1 106 TRP H 7.000 . 7.000 5.150 4.540 6.063 . 0 0 "[ . 1 ]" 1
740 1 106 TRP H 1 111 THR HG1 7.000 . 7.000 6.531 6.349 6.807 . 0 0 "[ . 1 ]" 1
741 1 106 TRP H 1 107 ASN QB 7.000 . 7.000 5.456 5.104 5.639 . 0 0 "[ . 1 ]" 1
742 1 106 TRP H 1 110 LYS QB 7.000 . 7.000 4.123 3.746 4.673 . 0 0 "[ . 1 ]" 1
743 1 106 TRP HA 1 107 ASN HA 6.500 . 6.500 4.382 4.349 4.407 . 0 0 "[ . 1 ]" 1
744 1 106 TRP HA 1 107 ASN QB 7.000 . 7.000 4.496 4.372 4.687 . 0 0 "[ . 1 ]" 1
745 1 106 TRP HA 1 107 ASN H 4.500 . 4.500 2.260 2.225 2.309 . 0 0 "[ . 1 ]" 1
746 1 106 TRP QB 1 107 ASN H 5.200 . 5.200 3.486 3.241 3.562 . 0 0 "[ . 1 ]" 1
747 1 107 ASN QB 1 108 ALA H 5.500 . 5.500 2.014 1.919 2.490 . 0 0 "[ . 1 ]" 1
748 1 107 ASN QB 1 110 LYS H 5.500 . 5.500 5.543 5.465 5.726 0.226 12 0 "[ . 1 ]" 1
749 1 107 ASN QB 1 108 ALA MB 6.000 . 6.000 3.311 3.255 3.564 . 0 0 "[ . 1 ]" 1
750 1 108 ALA H 1 109 SER H 4.500 . 4.500 2.839 2.725 2.958 . 0 0 "[ . 1 ]" 1
751 1 108 ALA H 1 111 THR HB 5.500 . 5.500 5.402 5.119 5.613 0.113 1 0 "[ . 1 ]" 1
752 1 108 ALA H 1 110 LYS H 5.500 . 5.500 4.586 4.438 4.694 . 0 0 "[ . 1 ]" 1
753 1 107 ASN HA 1 108 ALA H 5.500 . 5.500 3.547 3.542 3.556 . 0 0 "[ . 1 ]" 1
754 1 106 TRP HA 1 108 ALA H 6.000 . 6.000 4.988 4.905 5.106 . 0 0 "[ . 1 ]" 1
755 1 108 ALA MB 1 111 THR HB 5.000 . 5.000 5.281 5.231 5.339 0.339 2 0 "[ . 1 ]" 1
756 1 108 ALA MB 1 109 SER H 5.200 . 5.200 2.464 2.216 2.623 . 0 0 "[ . 1 ]" 1
757 1 108 ALA MB 1 110 LYS H 6.000 . 6.000 4.706 4.576 4.843 . 0 0 "[ . 1 ]" 1
758 1 109 SER H 1 110 LYS H . . 4.200 3.054 3.009 3.094 . 0 0 "[ . 1 ]" 1
759 1 108 ALA HA 1 109 SER H 3.800 . 3.800 3.556 3.545 3.571 . 0 0 "[ . 1 ]" 1
760 1 109 SER H 1 110 LYS QG 6.500 . 6.500 6.099 4.801 6.697 0.197 7 0 "[ . 1 ]" 1
761 1 107 ASN QB 1 109 SER H 6.500 . 6.500 4.486 4.302 5.116 . 0 0 "[ . 1 ]" 1
762 1 109 SER H 1 110 LYS QB 6.500 . 6.500 4.873 4.764 5.039 . 0 0 "[ . 1 ]" 1
763 1 109 SER HA 1 113 GLU H 5.500 . 5.500 4.269 4.192 4.371 . 0 0 "[ . 1 ]" 1
764 1 109 SER HA 1 110 LYS QB 6.500 . 6.500 5.308 5.185 5.478 . 0 0 "[ . 1 ]" 1
765 1 109 SER HA 1 110 LYS QE 6.500 . 6.500 5.507 4.160 6.662 0.162 3 0 "[ . 1 ]" 1
766 1 109 SER HA 1 112 GLN QG 6.500 . 6.500 5.550 5.188 5.941 . 0 0 "[ . 1 ]" 1
767 1 109 SER HA 1 110 LYS QD 7.000 . 7.000 6.108 4.736 7.106 0.106 3 0 "[ . 1 ]" 1
768 1 106 TRP HA 1 109 SER QB 8.500 . 8.500 4.989 4.388 6.019 . 0 0 "[ . 1 ]" 1
769 1 110 LYS H 1 110 LYS QG 4.500 . 4.500 3.508 2.345 4.053 . 0 0 "[ . 1 ]" 1
770 1 108 ALA HA 1 110 LYS H 4.500 . 4.500 4.762 4.708 4.826 0.326 7 0 "[ . 1 ]" 1
771 1 109 SER HA 1 110 LYS H 4.500 . 4.500 3.558 3.544 3.568 . 0 0 "[ . 1 ]" 1
772 1 109 SER QB 1 110 LYS H 4.500 . 4.500 2.464 2.230 3.248 . 0 0 "[ . 1 ]" 1
773 1 110 LYS H 1 111 THR HB 5.000 . 5.000 4.999 4.820 5.138 0.138 9 0 "[ . 1 ]" 1
774 1 106 TRP QB 1 110 LYS H 6.000 . 6.000 2.572 2.259 3.062 . 0 0 "[ . 1 ]" 1
775 1 110 LYS H 1 110 LYS QE 5.800 . 5.800 3.997 2.832 4.919 . 0 0 "[ . 1 ]" 1
776 1 110 LYS H 1 110 LYS QD 5.800 . 5.800 3.780 2.077 4.522 . 0 0 "[ . 1 ]" 1
777 1 110 LYS HA 1 113 GLU H 4.200 . 4.200 3.726 3.561 3.845 . 0 0 "[ . 1 ]" 1
778 1 110 LYS QG 1 114 PHE QD 10.000 . 10.000 3.987 2.854 5.310 . 0 0 "[ . 1 ]" 1
779 1 110 LYS QG 1 114 PHE QE 10.000 . 10.000 3.471 1.911 5.753 . 0 0 "[ . 1 ]" 1
780 1 110 LYS QD 1 113 GLU H 9.000 . 9.000 5.546 4.191 6.888 . 0 0 "[ . 1 ]" 1
781 1 106 TRP H 1 110 LYS QE 7.000 . 7.000 6.894 6.265 7.169 0.169 8 0 "[ . 1 ]" 1
782 1 110 LYS QE 1 114 PHE QD 9.000 . 9.000 4.159 2.446 5.653 . 0 0 "[ . 1 ]" 1
783 1 110 LYS QE 1 114 PHE QE 9.000 . 9.000 4.333 2.059 6.886 . 0 0 "[ . 1 ]" 1
784 1 110 LYS QE 1 114 PHE HZ 9.000 . 9.000 4.932 1.829 8.723 . 0 0 "[ . 1 ]" 1
785 1 106 TRP HE1 1 110 LYS QE 10.500 . 10.500 6.469 4.591 8.623 . 0 0 "[ . 1 ]" 1
786 1 106 TRP HH2 1 110 LYS QE 10.500 . 10.500 6.059 4.471 7.362 . 0 0 "[ . 1 ]" 1
787 1 111 THR H 1 112 GLN H 4.300 . 4.300 3.161 3.081 3.235 . 0 0 "[ . 1 ]" 1
788 1 108 ALA HA 1 111 THR H 4.300 . 4.300 3.921 3.787 4.088 . 0 0 "[ . 1 ]" 1
789 1 110 LYS HA 1 111 THR H 6.000 . 6.000 3.552 3.544 3.565 . 0 0 "[ . 1 ]" 1
790 1 109 SER QB 1 111 THR H 5.500 . 5.500 4.793 4.657 5.322 . 0 0 "[ . 1 ]" 1
791 1 111 THR H 1 111 THR HB 4.300 . 4.300 2.440 2.270 2.576 . 0 0 "[ . 1 ]" 1
792 1 111 THR H 1 111 THR HG1 4.300 . 4.300 2.234 1.950 2.609 . 0 0 "[ . 1 ]" 1
793 1 109 SER HA 1 111 THR H 4.800 . 4.800 4.944 4.928 4.972 0.172 8 0 "[ . 1 ]" 1
794 1 110 LYS QB 1 111 THR H 5.500 . 5.500 2.538 2.432 2.658 . 0 0 "[ . 1 ]" 1
795 1 111 THR H 1 114 PHE QB 6.000 . 6.000 6.240 6.127 6.392 0.392 3 0 "[ . 1 ]" 1
796 1 110 LYS QE 1 111 THR H 6.000 . 6.000 4.973 4.324 5.935 . 0 0 "[ . 1 ]" 1
797 1 110 LYS QG 1 111 THR H 6.000 . 6.000 4.052 3.367 4.487 . 0 0 "[ . 1 ]" 1
798 1 109 SER H 1 111 THR H 6.000 . 6.000 4.532 4.481 4.598 . 0 0 "[ . 1 ]" 1
799 1 111 THR HA 1 114 PHE QD 8.000 . 8.000 3.253 2.380 4.479 . 0 0 "[ . 1 ]" 1
800 1 111 THR HB 1 112 GLN H . . 5.500 3.608 3.549 3.665 . 0 0 "[ . 1 ]" 1
801 1 111 THR HG1 1 112 GLN H 5.500 . 5.500 1.611 1.514 1.728 . 0 0 "[ . 1 ]" 1
802 1 111 THR HG1 1 113 GLU H 6.500 . 6.500 3.878 3.741 4.049 . 0 0 "[ . 1 ]" 1
803 1 106 TRP HH2 1 111 THR HG1 11.000 . 11.000 9.792 7.992 10.406 . 0 0 "[ . 1 ]" 1
804 1 112 GLN H 1 113 GLU H . . 3.800 2.911 2.880 2.933 . 0 0 "[ . 1 ]" 1
805 1 111 THR HA 1 112 GLN H 5.500 . 5.500 3.573 3.560 3.582 . 0 0 "[ . 1 ]" 1
806 1 109 SER HA 1 112 GLN H 6.000 . 6.000 4.655 4.518 4.816 . 0 0 "[ . 1 ]" 1
807 1 112 GLN H 1 113 GLU HA . . 5.500 5.442 5.421 5.458 . 0 0 "[ . 1 ]" 1
808 1 112 GLN H 1 114 PHE QD 8.000 . 8.000 5.652 4.978 6.605 . 0 0 "[ . 1 ]" 1
809 1 112 GLN H 1 115 ILE H 6.000 . 6.000 4.883 4.705 5.108 . 0 0 "[ . 1 ]" 1
810 1 112 GLN H 1 115 ILE MD 9.000 . 9.000 6.002 4.994 6.418 . 0 0 "[ . 1 ]" 1
811 1 112 GLN H 1 113 GLU QB 6.000 . 6.000 4.592 4.545 4.662 . 0 0 "[ . 1 ]" 1
812 1 112 GLN H 1 112 GLN QE 6.000 . 6.000 4.268 4.063 4.390 . 0 0 "[ . 1 ]" 1
813 1 112 GLN HA 1 113 GLU QB 6.000 . 6.000 5.188 5.169 5.204 . 0 0 "[ . 1 ]" 1
814 1 113 GLU H 1 114 PHE H . . 3.800 3.114 3.046 3.190 . 0 0 "[ . 1 ]" 1
815 1 113 GLU H 1 115 ILE H 5.200 . 5.200 4.370 4.132 4.514 . 0 0 "[ . 1 ]" 1
816 1 113 GLU H 1 114 PHE HA 5.200 . 5.200 5.521 5.489 5.551 0.351 8 0 "[ . 1 ]" 1
817 1 113 GLU H 1 113 GLU QG 4.500 . 4.500 3.966 3.939 4.075 . 0 0 "[ . 1 ]" 1
818 1 111 THR HA 1 113 GLU H 4.500 . 4.500 4.589 4.538 4.670 0.170 3 0 "[ . 1 ]" 1
819 1 111 THR HB 1 113 GLU H 5.500 . 5.500 5.747 5.687 5.801 0.301 4 0 "[ . 1 ]" 1
820 1 113 GLU H 1 114 PHE QB 6.500 . 6.500 5.325 5.084 5.641 . 0 0 "[ . 1 ]" 1
821 1 111 THR HG1 1 113 GLU H 6.500 . 6.500 5.429 5.032 6.040 . 0 0 "[ . 1 ]" 1
822 1 114 PHE H 1 115 ILE H 3.800 . 3.800 2.314 2.262 2.407 . 0 0 "[ . 1 ]" 1
823 1 114 PHE H 1 115 ILE HA 5.700 . 5.700 4.961 4.923 5.059 . 0 0 "[ . 1 ]" 1
824 1 113 GLU HA 1 114 PHE H 4.500 . 4.500 3.571 3.559 3.584 . 0 0 "[ . 1 ]" 1
825 1 111 THR HG1 1 114 PHE H 5.200 . 5.200 4.945 4.768 5.060 . 0 0 "[ . 1 ]" 1
826 1 112 GLN H 1 114 PHE H 5.500 . 5.500 4.920 4.733 5.039 . 0 0 "[ . 1 ]" 1
827 1 111 THR HG1 1 114 PHE H 6.500 . 6.500 5.773 5.426 5.946 . 0 0 "[ . 1 ]" 1
828 1 114 PHE H 1 116 ILE MD 6.500 . 6.500 5.059 3.734 6.545 0.045 9 0 "[ . 1 ]" 1
829 1 114 PHE H 1 116 ILE MG 6.500 . 6.500 4.590 4.295 4.818 . 0 0 "[ . 1 ]" 1
830 1 113 GLU QB 1 114 PHE H 4.500 . 4.500 2.191 1.991 2.425 . 0 0 "[ . 1 ]" 1
831 1 114 PHE HA 1 115 ILE H . . 3.800 3.489 3.453 3.503 . 0 0 "[ . 1 ]" 1
832 1 111 THR HG1 1 114 PHE HA 7.500 . 7.500 7.670 7.378 7.836 0.336 9 0 "[ . 1 ]" 1
833 1 114 PHE QD 1 115 ILE QG 8.000 . 8.000 4.235 2.666 4.749 . 0 0 "[ . 1 ]" 1
834 1 114 PHE QE 1 115 ILE QG 8.000 . 8.000 4.282 3.280 6.019 . 0 0 "[ . 1 ]" 1
835 1 114 PHE HZ 1 115 ILE QG 8.000 . 8.000 5.352 3.887 8.029 0.029 8 0 "[ . 1 ]" 1
836 1 114 PHE QD 1 116 ILE MD 8.000 . 8.000 5.330 4.516 6.165 . 0 0 "[ . 1 ]" 1
837 1 114 PHE QE 1 116 ILE MD 8.000 . 8.000 6.774 5.934 7.169 . 0 0 "[ . 1 ]" 1
838 1 114 PHE HZ 1 116 ILE MD 8.500 . 8.500 8.383 7.340 8.606 0.106 3 0 "[ . 1 ]" 1
839 1 114 PHE QD 1 115 ILE HA 8.000 . 8.000 4.332 3.787 5.048 . 0 0 "[ . 1 ]" 1
840 1 114 PHE QE 1 115 ILE HA 8.000 . 8.000 5.270 3.955 7.153 . 0 0 "[ . 1 ]" 1
841 1 114 PHE HZ 1 115 ILE HA 8.500 . 8.500 6.415 4.501 9.092 0.592 8 1 "[ . + 1 ]" 1
842 1 113 GLU QG 1 114 PHE QD 8.000 . 8.000 3.478 2.054 4.520 . 0 0 "[ . 1 ]" 1
843 1 113 GLU QG 1 114 PHE QE 8.000 . 8.000 4.622 1.916 6.401 . 0 0 "[ . 1 ]" 1
844 1 113 GLU QG 1 114 PHE HZ 8.000 . 8.000 6.359 3.563 8.120 0.120 1 0 "[ . 1 ]" 1
845 1 114 PHE QB 1 116 ILE QG 8.500 . 8.500 4.577 4.174 5.181 . 0 0 "[ . 1 ]" 1
846 1 114 PHE QB 1 116 ILE MD 8.500 . 8.500 4.766 3.696 5.721 . 0 0 "[ . 1 ]" 1
847 1 115 ILE H 1 116 ILE H 3.800 . 3.800 2.988 2.833 3.078 . 0 0 "[ . 1 ]" 1
848 1 115 ILE H 1 115 ILE HB 3.800 . 3.800 2.298 2.139 2.773 . 0 0 "[ . 1 ]" 1
849 1 115 ILE H 1 115 ILE MG 3.800 . 3.800 3.291 2.918 3.753 . 0 0 "[ . 1 ]" 1
850 1 113 GLU QB 1 115 ILE H 5.200 . 5.200 4.263 4.113 4.446 . 0 0 "[ . 1 ]" 1
851 1 114 PHE QB 1 115 ILE H 6.000 . 6.000 2.893 2.279 3.414 . 0 0 "[ . 1 ]" 1
852 1 112 GLN QE 1 115 ILE H 6.000 . 6.000 5.392 5.096 5.753 . 0 0 "[ . 1 ]" 1
853 1 115 ILE H 1 115 ILE QG . . 4.500 3.476 1.848 4.040 . 0 0 "[ . 1 ]" 1
854 1 115 ILE H 1 116 ILE MG . . 6.500 4.611 4.169 4.960 . 0 0 "[ . 1 ]" 1
855 1 115 ILE H 1 116 ILE MD 7.000 . 7.000 5.154 3.760 5.898 . 0 0 "[ . 1 ]" 1
856 1 115 ILE HA 1 116 ILE H 3.800 . 3.800 3.115 3.077 3.156 . 0 0 "[ . 1 ]" 1
857 1 115 ILE HA 1 115 ILE MD 4.500 . 4.500 1.975 1.779 2.547 . 0 0 "[ . 1 ]" 1
858 1 115 ILE HB 1 116 ILE H . . 5.200 4.127 3.903 4.322 . 0 0 "[ . 1 ]" 1
859 1 115 ILE QG 1 116 ILE H 4.500 . 4.500 4.735 4.428 4.850 0.350 9 0 "[ . 1 ]" 1
860 1 115 ILE QG 1 117 ASP H 6.000 . 6.000 5.084 4.833 5.665 . 0 0 "[ . 1 ]" 1
861 1 115 ILE MG 1 116 ILE H 5.500 . 5.500 3.649 3.263 4.202 . 0 0 "[ . 1 ]" 1
862 1 116 ILE H 1 117 ASP H 4.500 . 4.500 2.446 2.340 2.486 . 0 0 "[ . 1 ]" 1
863 1 116 ILE H 1 120 LEU H 6.000 . 6.000 7.249 6.746 7.449 1.449 9 12 [**-*****+***] 1
864 1 116 ILE HA 1 117 ASP H 4.800 . 4.800 3.470 3.440 3.501 . 0 0 "[ . 1 ]" 1
865 1 115 ILE MD 1 116 ILE HA 5.500 . 5.500 5.782 5.646 5.909 0.409 2 0 "[ . 1 ]" 1
866 1 116 ILE HB 1 117 ASP H 4.500 . 4.500 3.489 3.331 3.641 . 0 0 "[ . 1 ]" 1
867 1 115 ILE HA 1 116 ILE HB 6.000 . 6.000 6.114 6.040 6.174 0.174 12 0 "[ . 1 ]" 1
868 1 116 ILE QG 1 117 ASP H . . 4.500 1.878 1.654 2.119 . 0 0 "[ . 1 ]" 1
869 1 116 ILE QG 1 118 GLY H . . 5.200 3.137 2.808 3.880 . 0 0 "[ . 1 ]" 1
870 1 115 ILE H 1 116 ILE QG 6.500 . 6.500 4.408 4.111 5.030 . 0 0 "[ . 1 ]" 1
871 1 115 ILE HA 1 116 ILE QG 6.500 . 6.500 4.182 4.096 4.434 . 0 0 "[ . 1 ]" 1
872 1 116 ILE MG 1 117 ASP H 5.500 . 5.500 3.927 3.745 4.066 . 0 0 "[ . 1 ]" 1
873 1 112 GLN H 1 116 ILE MG 7.500 . 7.500 5.414 4.994 5.791 . 0 0 "[ . 1 ]" 1
874 1 115 ILE HA 1 116 ILE MG 6.500 . 6.500 5.206 4.961 5.384 . 0 0 "[ . 1 ]" 1
875 1 116 ILE QG 1 117 ASP QB 7.500 . 7.500 4.290 4.019 4.506 . 0 0 "[ . 1 ]" 1
876 1 117 ASP H 1 118 GLY H 3.800 . 3.800 3.336 3.047 3.457 . 0 0 "[ . 1 ]" 1
877 1 117 ASP H 1 118 GLY QA 5.200 . 5.200 4.883 4.745 4.963 . 0 0 "[ . 1 ]" 1
878 1 115 ILE HB 1 117 ASP H 5.200 . 5.200 5.467 5.096 5.698 0.498 9 0 "[ . 1 ]" 1
879 1 117 ASP HA 1 118 GLY H 3.800 . 3.800 2.666 2.610 2.740 . 0 0 "[ . 1 ]" 1
880 1 116 ILE MD 1 117 ASP HA 6.000 . 6.000 4.387 2.354 4.906 . 0 0 "[ . 1 ]" 1
881 1 117 ASP QB 1 118 GLY H . . 5.200 3.998 3.896 4.122 . 0 0 "[ . 1 ]" 1
882 1 116 ILE MG 1 117 ASP QB 6.500 . 6.500 5.592 5.187 5.744 . 0 0 "[ . 1 ]" 1
883 1 115 ILE QG 1 118 GLY H 7.500 . 7.500 7.622 7.170 8.390 0.890 2 2 "[ +- . 1 ]" 1
884 1 116 ILE HB 1 118 GLY H 6.500 . 6.500 3.492 2.895 3.849 . 0 0 "[ . 1 ]" 1
885 1 118 GLY H 1 120 LEU QB 6.500 . 6.500 5.480 5.371 5.688 . 0 0 "[ . 1 ]" 1
886 1 116 ILE H 1 118 GLY H 5.500 . 5.500 5.329 4.792 5.530 0.030 9 0 "[ . 1 ]" 1
887 1 118 GLY H 1 119 ASP H 6.000 . 6.000 2.747 2.675 2.806 . 0 0 "[ . 1 ]" 1
888 1 118 GLY H 1 119 ASP QB 6.000 . 6.000 4.994 4.809 5.176 . 0 0 "[ . 1 ]" 1
889 1 118 GLY QA 1 121 LEU QD 8.000 . 8.000 6.674 6.118 7.045 . 0 0 "[ . 1 ]" 1
890 1 118 GLY QA 1 119 ASP H 6.000 . 6.000 2.654 2.631 2.678 . 0 0 "[ . 1 ]" 1
891 1 119 ASP H 1 121 LEU H 6.000 . 6.000 6.223 6.192 6.277 0.277 5 0 "[ . 1 ]" 1
892 1 117 ASP H 1 119 ASP H 6.000 . 6.000 5.326 4.964 5.480 . 0 0 "[ . 1 ]" 1
893 1 119 ASP H 1 120 LEU HA 6.000 . 6.000 4.677 4.654 4.704 . 0 0 "[ . 1 ]" 1
894 1 118 GLY QA 1 120 LEU H 5.500 . 5.500 4.129 4.109 4.151 . 0 0 "[ . 1 ]" 1
895 1 120 LEU H 1 121 LEU QB 5.500 . 5.500 4.883 4.768 5.010 . 0 0 "[ . 1 ]" 1
896 1 120 LEU H 1 120 LEU QD . . 4.500 4.022 3.995 4.049 . 0 0 "[ . 1 ]" 1
897 1 120 LEU H 1 122 ILE QG 6.500 . 6.500 6.285 6.214 6.460 . 0 0 "[ . 1 ]" 1
898 1 117 ASP QB 1 120 LEU H 6.500 . 6.500 3.130 2.951 3.903 . 0 0 "[ . 1 ]" 1
899 1 120 LEU HA 1 121 LEU H 3.800 . 3.800 2.035 2.018 2.051 . 0 0 "[ . 1 ]" 1
900 1 120 LEU HA 1 120 LEU HG . . 4.500 2.451 2.326 2.510 . 0 0 "[ . 1 ]" 1
901 1 120 LEU QB 1 122 ILE H 5.500 . 5.500 5.413 5.302 5.523 0.023 9 0 "[ . 1 ]" 1
902 1 120 LEU QB 1 121 LEU H 4.500 . 4.500 3.495 3.446 3.527 . 0 0 "[ . 1 ]" 1
903 1 120 LEU HG 1 122 ILE H 4.500 . 4.500 4.562 4.510 4.720 0.220 2 0 "[ . 1 ]" 1
904 1 120 LEU HG 1 121 LEU H 4.500 . 4.500 2.163 2.047 2.265 . 0 0 "[ . 1 ]" 1
905 1 120 LEU QD 1 122 ILE H 5.500 . 5.500 4.028 3.779 4.239 . 0 0 "[ . 1 ]" 1
906 1 121 LEU H 1 121 LEU HG 4.500 . 4.500 4.014 3.579 4.524 0.024 3 0 "[ . 1 ]" 1
907 1 121 LEU HA 1 121 LEU HG 4.500 . 4.500 3.649 3.361 3.780 . 0 0 "[ . 1 ]" 1
908 1 121 LEU HA 1 122 ILE H 5.500 . 5.500 2.274 2.237 2.292 . 0 0 "[ . 1 ]" 1
909 1 121 LEU QB 1 122 ILE H 5.500 . 5.500 3.692 3.588 3.783 . 0 0 "[ . 1 ]" 1
910 1 121 LEU HG 1 122 ILE H 5.500 . 5.500 3.773 3.316 4.029 . 0 0 "[ . 1 ]" 1
911 1 121 LEU HG 1 123 LEU H 5.500 . 5.500 4.809 4.658 4.991 . 0 0 "[ . 1 ]" 1
912 1 121 LEU QD 1 122 ILE H 5.500 . 5.500 2.005 1.882 2.098 . 0 0 "[ . 1 ]" 1
913 1 120 LEU HA 1 122 ILE H 5.500 . 5.500 5.919 5.900 5.944 0.444 9 0 "[ . 1 ]" 1
914 1 122 ILE H 1 122 ILE MG 4.500 . 4.500 3.825 3.734 3.884 . 0 0 "[ . 1 ]" 1
915 1 122 ILE H 1 123 LEU H 4.500 . 4.500 4.349 4.324 4.366 . 0 0 "[ . 1 ]" 1
916 1 122 ILE H 1 124 LYS QD 8.500 . 8.500 7.041 6.426 8.574 0.074 8 0 "[ . 1 ]" 1
917 1 121 LEU QD 1 122 ILE HB 6.500 . 6.500 4.425 4.282 4.715 . 0 0 "[ . 1 ]" 1
918 1 122 ILE HB 1 123 LEU H 5.500 . 5.500 3.222 3.057 3.302 . 0 0 "[ . 1 ]" 1
919 1 122 ILE HA 1 123 LEU H 5.500 . 5.500 2.124 2.108 2.149 . 0 0 "[ . 1 ]" 1
920 1 122 ILE MG 1 123 LEU H 5.500 . 5.500 2.747 2.641 3.098 . 0 0 "[ . 1 ]" 1
921 1 122 ILE MG 1 123 LEU HA 7.000 . 7.000 4.723 4.621 4.953 . 0 0 "[ . 1 ]" 1
922 1 122 ILE MG 1 124 LYS QD 7.000 . 7.000 4.009 3.244 5.517 . 0 0 "[ . 1 ]" 1
923 1 120 LEU HG 1 122 ILE QG 5.000 . 5.000 2.962 2.719 3.278 . 0 0 "[ . 1 ]" 1
924 1 121 LEU H 1 122 ILE QG 5.500 . 5.500 3.928 3.819 4.092 . 0 0 "[ . 1 ]" 1
925 1 122 ILE QG 1 123 LEU H 5.500 . 5.500 4.483 4.426 4.503 . 0 0 "[ . 1 ]" 1
926 1 122 ILE QG 1 124 LYS QB 6.500 . 6.500 6.586 6.013 6.775 0.275 3 0 "[ . 1 ]" 1
927 1 120 LEU QB 1 122 ILE QG 6.500 . 6.500 3.992 3.872 4.153 . 0 0 "[ . 1 ]" 1
928 1 121 LEU HA 1 122 ILE QG 6.500 . 6.500 3.354 3.287 3.401 . 0 0 "[ . 1 ]" 1
929 1 122 ILE QG 1 124 LYS QG 7.500 . 7.500 5.964 4.838 7.720 0.220 8 0 "[ . 1 ]" 1
930 1 122 ILE H 1 122 ILE MD 5.500 . 5.500 3.935 3.677 3.987 . 0 0 "[ . 1 ]" 1
931 1 121 LEU H 1 122 ILE MD 5.500 . 5.500 5.247 5.144 5.645 0.145 2 0 "[ . 1 ]" 1
932 1 122 ILE MD 1 123 LEU H 5.500 . 5.500 5.008 4.869 5.043 . 0 0 "[ . 1 ]" 1
933 1 123 LEU H 1 123 LEU HG 4.500 . 4.500 3.571 3.516 3.658 . 0 0 "[ . 1 ]" 1
934 1 123 LEU H 1 124 LYS H 6.000 . 6.000 4.272 4.258 4.286 . 0 0 "[ . 1 ]" 1
935 1 123 LEU HA 1 124 LYS H . . 3.800 2.217 2.193 2.235 . 0 0 "[ . 1 ]" 1
936 1 122 ILE QG 1 123 LEU HA 5.500 . 5.500 5.152 4.911 5.286 . 0 0 "[ . 1 ]" 1
937 1 123 LEU QB 1 124 LYS QB 5.500 . 5.500 5.339 5.076 5.520 0.020 1 0 "[ . 1 ]" 1
938 1 122 ILE H 1 123 LEU QB 6.000 . 6.000 4.834 4.776 4.885 . 0 0 "[ . 1 ]" 1
939 1 123 LEU QB 1 124 LYS H 6.000 . 6.000 3.485 3.430 3.531 . 0 0 "[ . 1 ]" 1
940 1 122 ILE HA 1 123 LEU QB 6.000 . 6.000 3.876 3.841 3.909 . 0 0 "[ . 1 ]" 1
941 1 123 LEU HG 1 124 LYS H 6.000 . 6.000 3.514 3.339 3.590 . 0 0 "[ . 1 ]" 1
942 1 123 LEU QD 1 124 LYS H 7.500 . 7.500 2.561 2.237 2.863 . 0 0 "[ . 1 ]" 1
943 1 122 ILE H 1 123 LEU QD 8.000 . 8.000 5.920 5.859 5.988 . 0 0 "[ . 1 ]" 1
944 1 123 LEU QD 1 130 MET HA 6.000 . 6.000 3.876 3.826 3.932 . 0 0 "[ . 1 ]" 1
945 1 122 ILE HB 1 124 LYS H 4.800 . 4.800 5.098 5.077 5.129 0.329 7 0 "[ . 1 ]" 1
946 1 124 LYS H 1 124 LYS QE 5.800 . 5.800 4.865 2.379 5.623 . 0 0 "[ . 1 ]" 1
947 1 122 ILE MG 1 124 LYS H 6.500 . 6.500 5.538 5.408 5.813 . 0 0 "[ . 1 ]" 1
948 1 121 LEU QD 1 124 LYS H 6.500 . 6.500 5.835 5.652 6.270 . 0 0 "[ . 1 ]" 1
949 1 124 LYS HA 1 125 LEU H 3.800 . 3.800 2.176 2.156 2.219 . 0 0 "[ . 1 ]" 1
950 1 124 LYS QB 1 125 LEU H . . 5.200 3.088 3.007 3.339 . 0 0 "[ . 1 ]" 1
951 1 124 LYS QG 1 125 LEU H . . 4.500 3.826 3.133 4.316 . 0 0 "[ . 1 ]" 1
952 1 123 LEU HA 1 124 LYS QG 5.000 . 5.000 4.250 3.329 5.118 0.118 6 0 "[ . 1 ]" 1
953 1 124 LYS QD 1 125 LEU H 6.500 . 6.500 5.373 5.127 5.597 . 0 0 "[ . 1 ]" 1
954 1 124 LYS HA 1 124 LYS QE 5.000 . 5.000 4.156 3.617 4.580 . 0 0 "[ . 1 ]" 1
955 1 125 LEU H 1 130 MET HA 4.500 . 4.500 2.100 1.981 2.216 . 0 0 "[ . 1 ]" 1
956 1 125 LEU H 1 125 LEU HG 5.200 . 5.200 2.728 2.636 2.870 . 0 0 "[ . 1 ]" 1
957 1 125 LEU H 1 126 GLY H . . 4.500 4.295 4.280 4.307 . 0 0 "[ . 1 ]" 1
958 1 125 LEU H 1 130 MET H 5.500 . 5.500 4.294 4.163 4.398 . 0 0 "[ . 1 ]" 1
959 1 125 LEU H 1 129 LYS H 5.500 . 5.500 4.713 4.655 4.791 . 0 0 "[ . 1 ]" 1
960 1 125 LEU H 1 129 LYS HA 5.500 . 5.500 4.902 4.813 4.974 . 0 0 "[ . 1 ]" 1
961 1 125 LEU H 1 127 LYS QE 6.500 . 6.500 5.749 4.601 6.575 0.075 6 0 "[ . 1 ]" 1
962 1 125 LEU HA 1 126 GLY H . . 3.800 2.136 2.117 2.149 . 0 0 "[ . 1 ]" 1
963 1 124 LYS QB 1 125 LEU HA 7.000 . 7.000 4.199 4.037 4.819 . 0 0 "[ . 1 ]" 1
964 1 125 LEU QB 1 126 GLY H . . 4.500 3.108 3.069 3.137 . 0 0 "[ . 1 ]" 1
965 1 124 LYS QG 1 125 LEU QB 6.000 . 6.000 5.804 4.688 6.245 0.245 1 0 "[ . 1 ]" 1
966 1 125 LEU QD 1 126 GLY H 6.000 . 6.000 4.201 4.058 4.297 . 0 0 "[ . 1 ]" 1
967 1 77 ALA MB 1 126 GLY H 4.500 . 4.500 3.375 3.077 3.858 . 0 0 "[ . 1 ]" 1
968 1 126 GLY H 1 127 LYS H 4.500 . 4.500 2.515 2.494 2.553 . 0 0 "[ . 1 ]" 1
969 1 126 GLY H 1 127 LYS QG 5.500 . 5.500 3.841 3.454 4.100 . 0 0 "[ . 1 ]" 1
970 1 126 GLY H 1 127 LYS QD 7.000 . 7.000 5.855 5.283 6.197 . 0 0 "[ . 1 ]" 1
971 1 126 GLY QA 1 127 LYS H 4.500 . 4.500 2.945 2.939 2.954 . 0 0 "[ . 1 ]" 1
972 1 127 LYS H 1 127 LYS QG 4.500 . 4.500 1.916 1.524 2.207 . 0 0 "[ . 1 ]" 1
973 1 127 LYS H 1 127 LYS QD . . 4.200 3.872 3.399 4.112 . 0 0 "[ . 1 ]" 1
974 1 127 LYS H 1 129 LYS QG 6.000 . 6.000 5.972 5.834 6.087 0.087 10 0 "[ . 1 ]" 1
975 1 127 LYS H 1 128 TRP H 5.500 . 5.500 2.568 2.531 2.623 . 0 0 "[ . 1 ]" 1
976 1 127 LYS H 1 129 LYS H 5.500 . 5.500 4.364 4.341 4.384 . 0 0 "[ . 1 ]" 1
977 1 127 LYS H 1 128 TRP HA 6.000 . 6.000 4.991 4.942 5.016 . 0 0 "[ . 1 ]" 1
978 1 125 LEU HA 1 127 LYS H 6.000 . 6.000 3.702 3.665 3.788 . 0 0 "[ . 1 ]" 1
979 1 127 LYS HA 1 127 LYS QD . . 4.200 4.037 3.777 4.272 0.072 8 0 "[ . 1 ]" 1
980 1 127 LYS HA 1 127 LYS QE 6.000 . 6.000 5.101 4.633 5.570 . 0 0 "[ . 1 ]" 1
981 1 125 LEU QD 1 127 LYS HA 7.000 . 7.000 6.028 5.878 6.180 . 0 0 "[ . 1 ]" 1
982 1 127 LYS QB 1 127 LYS QE . . 3.800 3.455 3.071 3.767 . 0 0 "[ . 1 ]" 1
983 1 127 LYS QB 1 128 TRP H 5.500 . 5.500 3.244 3.049 3.363 . 0 0 "[ . 1 ]" 1
984 1 127 LYS QE 1 128 TRP HE1 5.500 . 5.500 4.729 1.941 5.703 0.203 10 0 "[ . 1 ]" 1
985 1 127 LYS QE 1 128 TRP HD1 5.500 . 5.500 4.366 2.899 5.390 . 0 0 "[ . 1 ]" 1
986 1 127 LYS QE 1 128 TRP HH2 5.500 . 5.500 5.324 4.803 5.604 0.104 5 0 "[ . 1 ]" 1
987 1 127 LYS QD 1 128 TRP HE1 5.500 . 5.500 4.289 2.833 5.523 0.023 12 0 "[ . 1 ]" 1
988 1 127 LYS QD 1 128 TRP HD1 5.500 . 5.500 4.138 2.768 5.428 . 0 0 "[ . 1 ]" 1
989 1 127 LYS QD 1 128 TRP HZ3 5.500 . 5.500 4.167 3.591 5.531 0.031 6 0 "[ . 1 ]" 1
990 1 127 LYS QD 1 128 TRP HZ2 5.500 . 5.500 4.460 2.519 5.490 . 0 0 "[ . 1 ]" 1
991 1 125 LEU QB 1 127 LYS QD 7.000 . 7.000 3.801 3.235 4.321 . 0 0 "[ . 1 ]" 1
992 1 127 LYS QD 1 128 TRP HA 6.000 . 6.000 4.469 3.495 5.915 . 0 0 "[ . 1 ]" 1
993 1 128 TRP H 1 129 LYS H 3.800 . 3.800 2.233 2.170 2.271 . 0 0 "[ . 1 ]" 1
994 1 126 GLY QA 1 128 TRP H 4.500 . 4.500 4.080 4.023 4.103 . 0 0 "[ . 1 ]" 1
995 1 127 LYS QG 1 128 TRP H 4.500 . 4.500 1.909 1.714 2.594 . 0 0 "[ . 1 ]" 1
996 1 127 LYS HA 1 128 TRP H 4.500 . 4.500 3.566 3.559 3.572 . 0 0 "[ . 1 ]" 1
997 1 128 TRP H 1 129 LYS QB 5.200 . 5.200 5.019 4.812 5.133 . 0 0 "[ . 1 ]" 1
998 1 128 TRP H 1 129 LYS QG 5.200 . 5.200 4.038 3.904 4.263 . 0 0 "[ . 1 ]" 1
999 1 128 TRP H 1 129 LYS HA 5.500 . 5.500 4.521 4.453 4.572 . 0 0 "[ . 1 ]" 1
1000 1 125 LEU H 1 128 TRP H 6.000 . 6.000 5.387 5.336 5.458 . 0 0 "[ . 1 ]" 1
1001 1 127 LYS QD 1 128 TRP H 6.000 . 6.000 3.011 2.160 3.909 . 0 0 "[ . 1 ]" 1
1002 1 128 TRP H 1 128 TRP HZ3 7.500 . 7.500 6.892 6.346 7.690 0.190 6 0 "[ . 1 ]" 1
1003 1 127 LYS HA 1 128 TRP HA 5.000 . 5.000 4.458 4.421 4.484 . 0 0 "[ . 1 ]" 1
1004 1 125 LEU HA 1 129 LYS H 5.500 . 5.500 5.707 5.654 5.823 0.323 8 0 "[ . 1 ]" 1
1005 1 129 LYS H 1 129 LYS QB 3.800 . 3.800 3.151 3.008 3.211 . 0 0 "[ . 1 ]" 1
1006 1 129 LYS H 1 129 LYS QG 4.500 . 4.500 2.144 1.988 2.303 . 0 0 "[ . 1 ]" 1
1007 1 126 GLY QA 1 129 LYS H 5.200 . 5.200 5.086 5.042 5.127 . 0 0 "[ . 1 ]" 1
1008 1 127 LYS QG 1 129 LYS H 5.200 . 5.200 3.382 2.945 4.084 . 0 0 "[ . 1 ]" 1
1009 1 128 TRP QB 1 129 LYS H 5.200 . 5.200 2.591 2.354 3.282 . 0 0 "[ . 1 ]" 1
1010 1 125 LEU HG 1 129 LYS H 5.500 . 5.500 5.547 5.505 5.615 0.115 8 0 "[ . 1 ]" 1
1011 1 129 LYS H 1 130 MET HA 5.500 . 5.500 4.941 4.910 4.969 . 0 0 "[ . 1 ]" 1
1012 1 127 LYS HA 1 129 LYS H 5.500 . 5.500 5.786 5.726 5.813 0.313 6 0 "[ . 1 ]" 1
1013 1 129 LYS H 1 131 LYS H 6.000 . 6.000 6.439 6.370 6.491 0.491 6 0 "[ . 1 ]" 1
1014 1 129 LYS H 1 129 LYS QE 6.500 . 6.500 4.083 2.966 5.040 . 0 0 "[ . 1 ]" 1
1015 1 129 LYS HA 1 130 MET H . . 4.300 2.315 2.307 2.330 . 0 0 "[ . 1 ]" 1
1016 1 130 MET H 1 131 LYS H 4.300 . 4.300 4.281 4.245 4.318 0.018 5 0 "[ . 1 ]" 1
1017 1 129 LYS H 1 130 MET H 4.300 . 4.300 4.408 4.394 4.417 0.117 5 0 "[ . 1 ]" 1
1018 1 130 MET H 1 130 MET QG . . 5.000 3.512 3.391 3.863 . 0 0 "[ . 1 ]" 1
1019 1 129 LYS QB 1 130 MET H 5.500 . 5.500 2.302 2.246 2.439 . 0 0 "[ . 1 ]" 1
1020 1 128 TRP HA 1 130 MET H 6.500 . 6.500 6.768 6.744 6.794 0.294 4 0 "[ . 1 ]" 1
1021 1 128 TRP QB 1 130 MET H 6.500 . 6.500 5.945 5.822 6.360 . 0 0 "[ . 1 ]" 1
1022 1 130 MET HA 1 131 LYS H . . 3.800 2.123 2.096 2.149 . 0 0 "[ . 1 ]" 1
1023 1 125 LEU HG 1 130 MET HA 6.000 . 6.000 3.712 3.390 3.926 . 0 0 "[ . 1 ]" 1
1024 1 130 MET HA 1 131 LYS QD 6.000 . 6.000 6.137 6.026 6.302 0.302 12 0 "[ . 1 ]" 1
1025 1 130 MET QB 1 131 LYS H 5.000 . 5.000 3.512 3.471 3.627 . 0 0 "[ . 1 ]" 1
1026 1 129 LYS HA 1 130 MET QB 5.000 . 5.000 3.959 3.927 4.008 . 0 0 "[ . 1 ]" 1
1027 1 130 MET QG 1 131 LYS H 4.800 . 4.800 2.747 2.573 2.847 . 0 0 "[ . 1 ]" 1
1028 1 130 MET QG 1 133 VAL HA 7.500 . 7.500 7.816 7.741 7.887 0.387 9 0 "[ . 1 ]" 1
1029 1 124 LYS HA 1 131 LYS H 3.800 . 3.800 2.878 2.794 2.942 . 0 0 "[ . 1 ]" 1
1030 1 131 LYS H 1 132 LEU QB 4.800 . 4.800 4.977 4.912 5.028 0.228 1 0 "[ . 1 ]" 1
1031 1 131 LYS H 1 132 LEU H . . 4.500 4.305 4.238 4.351 . 0 0 "[ . 1 ]" 1
1032 1 131 LYS H 1 131 LYS QE 6.500 . 6.500 4.907 4.465 5.443 . 0 0 "[ . 1 ]" 1
1033 1 131 LYS HA 1 132 LEU H . . 3.800 2.131 2.100 2.152 . 0 0 "[ . 1 ]" 1
1034 1 131 LYS HA 1 132 LEU QB 6.000 . 6.000 3.982 3.869 4.579 . 0 0 "[ . 1 ]" 1
1035 1 131 LYS HA 1 133 VAL H 6.000 . 6.000 6.055 6.004 6.095 0.095 12 0 "[ . 1 ]" 1
1036 1 131 LYS QB 1 132 LEU H 5.000 . 5.000 3.661 3.628 3.686 . 0 0 "[ . 1 ]" 1
1037 1 131 LYS QG 1 132 LEU H 5.500 . 5.500 3.136 2.724 3.525 . 0 0 "[ . 1 ]" 1
1038 1 131 LYS QG 1 132 LEU HA 5.500 . 5.500 4.315 3.682 5.034 . 0 0 "[ . 1 ]" 1
1039 1 130 MET HA 1 131 LYS QG 6.500 . 6.500 5.652 5.551 5.776 . 0 0 "[ . 1 ]" 1
1040 1 131 LYS H 1 131 LYS QD 5.500 . 5.500 4.332 4.194 4.460 . 0 0 "[ . 1 ]" 1
1041 1 131 LYS HA 1 131 LYS QE 5.500 . 5.500 3.897 2.798 4.580 . 0 0 "[ . 1 ]" 1
1042 1 131 LYS QE 1 132 LEU HA 5.500 . 5.500 5.508 4.952 5.813 0.313 10 0 "[ . 1 ]" 1
1043 1 130 MET HA 1 131 LYS QE 6.500 . 6.500 6.451 6.149 6.867 0.367 6 0 "[ . 1 ]" 1
1044 1 132 LEU H 1 133 VAL H 4.500 . 4.500 4.347 4.317 4.369 . 0 0 "[ . 1 ]" 1
1045 1 130 MET QG 1 132 LEU H 6.500 . 6.500 3.969 3.905 4.030 . 0 0 "[ . 1 ]" 1
1046 1 131 LYS QE 1 132 LEU H 7.000 . 7.000 4.369 3.589 5.004 . 0 0 "[ . 1 ]" 1
1047 1 132 LEU QB 1 133 VAL H . . 4.500 3.563 3.009 3.674 . 0 0 "[ . 1 ]" 1
1048 1 132 LEU H 1 132 LEU HG 4.500 . 4.500 4.133 1.989 4.609 0.109 3 0 "[ . 1 ]" 1
1049 1 132 LEU HG 1 133 VAL H 5.500 . 5.500 3.225 2.811 4.797 . 0 0 "[ . 1 ]" 1
1050 1 132 LEU QD 1 133 VAL H 5.500 . 5.500 2.557 1.928 4.302 . 0 0 "[ . 1 ]" 1
1051 1 132 LEU QD 1 134 SER HA 6.500 . 6.500 4.084 3.639 6.297 . 0 0 "[ . 1 ]" 1
1052 1 131 LYS HA 1 132 LEU QD 5.500 . 5.500 4.998 3.088 5.199 . 0 0 "[ . 1 ]" 1
1053 1 130 MET QB 1 132 LEU QD 6.500 . 6.500 5.512 3.543 5.988 . 0 0 "[ . 1 ]" 1
1054 1 132 LEU HA 1 133 VAL H 3.800 . 3.800 2.170 2.152 2.191 . 0 0 "[ . 1 ]" 1
1055 1 133 VAL H 1 133 VAL QG . . 4.200 2.963 2.800 3.090 . 0 0 "[ . 1 ]" 1
1056 1 133 VAL H 1 134 SER H 4.500 . 4.500 4.371 4.354 4.410 . 0 0 "[ . 1 ]" 1
1057 1 133 VAL H 1 133 VAL HB . . 4.200 2.587 2.514 2.657 . 0 0 "[ . 1 ]" 1
1058 1 133 VAL QG 1 134 SER H 5.000 . 5.000 2.204 1.969 2.473 . 0 0 "[ . 1 ]" 1
1059 1 132 LEU H 1 133 VAL QG 6.000 . 6.000 3.802 3.566 3.978 . 0 0 "[ . 1 ]" 1
1060 1 134 SER H 1 135 ILE H 4.500 . 4.500 4.450 4.411 4.476 . 0 0 "[ . 1 ]" 1
1061 1 133 VAL HA 1 134 SER H 3.800 . 3.800 2.188 2.167 2.207 . 0 0 "[ . 1 ]" 1
1062 1 133 VAL HB 1 134 SER H 6.000 . 6.000 4.157 4.047 4.266 . 0 0 "[ . 1 ]" 1
1063 1 132 LEU QD 1 134 SER H 7.000 . 7.000 4.068 3.671 5.738 . 0 0 "[ . 1 ]" 1
1064 1 133 VAL H 1 134 SER HA 5.000 . 5.000 4.833 4.779 4.889 . 0 0 "[ . 1 ]" 1
1065 1 134 SER QB 1 135 ILE HB 6.000 . 6.000 5.937 5.869 6.016 0.016 12 0 "[ . 1 ]" 1
1066 1 134 SER HA 1 135 ILE H 3.800 . 3.800 2.258 2.241 2.300 . 0 0 "[ . 1 ]" 1
1067 1 134 SER QB 1 135 ILE H 5.200 . 5.200 3.171 3.087 3.403 . 0 0 "[ . 1 ]" 1
1068 1 135 ILE H 1 136 VAL H 6.000 . 6.000 4.355 4.320 4.408 . 0 0 "[ . 1 ]" 1
1069 1 134 SER H 1 135 ILE HA 5.200 . 5.200 4.875 4.810 4.932 . 0 0 "[ . 1 ]" 1
1070 1 135 ILE HB 1 136 VAL H 6.000 . 6.000 2.993 2.540 3.436 . 0 0 "[ . 1 ]" 1
1071 1 134 SER HA 1 135 ILE HB 6.000 . 6.000 5.587 5.314 5.701 . 0 0 "[ . 1 ]" 1
1072 1 131 LYS QG 1 135 ILE MG 8.000 . 8.000 7.661 6.950 8.233 0.233 3 0 "[ . 1 ]" 1
1073 1 134 SER HA 1 135 ILE MG 6.000 . 6.000 4.173 3.447 4.910 . 0 0 "[ . 1 ]" 1
1074 1 133 VAL HA 1 135 ILE MG 6.000 . 6.000 5.116 4.629 5.823 . 0 0 "[ . 1 ]" 1
1075 1 135 ILE HA 1 136 VAL H 3.800 . 3.800 2.098 2.065 2.178 . 0 0 "[ . 1 ]" 1
1076 1 136 VAL H 1 136 VAL HB 3.800 . 3.800 3.551 2.845 3.803 0.003 5 0 "[ . 1 ]" 1
1077 1 136 VAL H 1 137 SER H 5.500 . 5.500 4.369 4.330 4.446 . 0 0 "[ . 1 ]" 1
1078 1 135 ILE HA 1 136 VAL QG 4.500 . 4.500 3.256 3.079 3.529 . 0 0 "[ . 1 ]" 1
1079 1 136 VAL HB 1 137 SER H . . 3.800 3.298 2.779 3.922 0.122 11 0 "[ . 1 ]" 1
1080 1 136 VAL HA 1 137 SER H 3.800 . 3.800 2.199 2.175 2.265 . 0 0 "[ . 1 ]" 1
1081 1 136 VAL QG 1 137 SER H 4.500 . 4.500 3.002 1.961 3.431 . 0 0 "[ . 1 ]" 1
1082 1 137 SER H 1 138 ASP H 5.200 . 5.200 4.588 4.493 4.631 . 0 0 "[ . 1 ]" 1
1083 1 137 SER H 1 140 LYS H 4.500 . 4.500 4.389 3.890 4.591 0.091 10 0 "[ . 1 ]" 1
1084 1 137 SER H 1 140 LYS QB 6.000 . 6.000 3.025 2.638 3.256 . 0 0 "[ . 1 ]" 1
1085 1 137 SER H 1 140 LYS QG 6.500 . 6.500 3.601 2.757 4.340 . 0 0 "[ . 1 ]" 1
1086 1 137 SER H 1 140 LYS QD 7.000 . 7.000 4.325 2.127 5.581 . 0 0 "[ . 1 ]" 1
1087 1 137 SER HA 1 138 ASP H . . 3.800 2.248 2.152 2.393 . 0 0 "[ . 1 ]" 1
1088 1 137 SER HA 1 140 LYS H 5.500 . 5.500 4.707 4.470 5.011 . 0 0 "[ . 1 ]" 1
1089 1 136 VAL HA 1 137 SER HA 5.500 . 5.500 4.317 4.281 4.341 . 0 0 "[ . 1 ]" 1
1090 1 137 SER HA 1 139 GLU H . . 5.500 4.349 4.102 4.574 . 0 0 "[ . 1 ]" 1
1091 1 137 SER HA 1 138 ASP QB 7.000 . 7.000 4.188 4.051 4.439 . 0 0 "[ . 1 ]" 1
1092 1 138 ASP H 1 139 GLU H 3.800 . 3.800 2.875 2.846 2.915 . 0 0 "[ . 1 ]" 1
1093 1 137 SER QB 1 138 ASP H 5.500 . 5.500 3.225 2.546 3.678 . 0 0 "[ . 1 ]" 1
1094 1 44 LYS QE 1 138 ASP H 8.000 . 8.000 5.912 4.076 7.291 . 0 0 "[ . 1 ]" 1
1095 1 136 VAL HA 1 138 ASP H 6.800 . 6.800 6.167 5.921 6.365 . 0 0 "[ . 1 ]" 1
1096 1 138 ASP H 1 140 LYS QG 6.500 . 6.500 6.027 5.260 6.567 0.067 12 0 "[ . 1 ]" 1
1097 1 138 ASP HA 1 141 PHE H 5.500 . 5.500 3.715 3.538 4.158 . 0 0 "[ . 1 ]" 1
1098 1 138 ASP HA 1 151 TRP HH2 10.800 . 10.800 4.908 4.768 5.430 . 0 0 "[ . 1 ]" 1
1099 1 138 ASP QB 1 139 GLU H 4.500 . 4.500 2.359 2.323 2.398 . 0 0 "[ . 1 ]" 1
1100 1 138 ASP QB 1 140 LYS H 4.500 . 4.500 4.744 4.705 4.845 0.345 4 0 "[ . 1 ]" 1
1101 1 139 GLU H 1 140 LYS H . . 3.800 2.897 2.857 2.927 . 0 0 "[ . 1 ]" 1
1102 1 138 ASP HA 1 139 GLU H 5.500 . 5.500 3.538 3.524 3.561 . 0 0 "[ . 1 ]" 1
1103 1 136 VAL QG 1 139 GLU H 7.500 . 7.500 5.983 4.952 6.474 . 0 0 "[ . 1 ]" 1
1104 1 139 GLU HA 1 140 LYS H 4.500 . 4.500 3.564 3.551 3.580 . 0 0 "[ . 1 ]" 1
1105 1 139 GLU QG 1 140 LYS H . . 5.200 3.819 1.901 4.419 . 0 0 "[ . 1 ]" 1
1106 1 140 LYS H 1 141 PHE H 4.500 . 4.500 2.808 2.767 2.924 . 0 0 "[ . 1 ]" 1
1107 1 140 LYS H 1 140 LYS QD 5.200 . 5.200 3.864 2.133 4.499 . 0 0 "[ . 1 ]" 1
1108 1 139 GLU QB 1 140 LYS H 5.200 . 5.200 2.584 2.356 3.227 . 0 0 "[ . 1 ]" 1
1109 1 138 ASP H 1 140 LYS H 5.500 . 5.500 4.456 4.379 4.640 . 0 0 "[ . 1 ]" 1
1110 1 138 ASP HA 1 140 LYS H 5.500 . 5.500 4.649 4.556 4.964 . 0 0 "[ . 1 ]" 1
1111 1 136 VAL HA 1 140 LYS H 6.500 . 6.500 6.311 5.702 6.625 0.125 7 0 "[ . 1 ]" 1
1112 1 136 VAL QG 1 140 LYS H 7.500 . 7.500 4.882 3.364 5.976 . 0 0 "[ . 1 ]" 1
1113 1 140 LYS HA 1 144 LEU H 4.500 . 4.500 4.548 4.401 4.611 0.111 10 0 "[ . 1 ]" 1
1114 1 140 LYS HA 1 143 GLU QG 6.000 . 6.000 4.365 3.650 5.087 . 0 0 "[ . 1 ]" 1
1115 1 140 LYS HA 1 141 PHE H . . 4.500 3.526 3.513 3.577 . 0 0 "[ . 1 ]" 1
1116 1 141 PHE H 1 142 LYS H 3.800 . 3.800 2.861 2.841 2.943 . 0 0 "[ . 1 ]" 1
1117 1 139 GLU QG 1 141 PHE H 6.500 . 6.500 5.626 4.255 6.140 . 0 0 "[ . 1 ]" 1
1118 1 140 LYS QD 1 141 PHE H 6.500 . 6.500 4.599 4.121 4.932 . 0 0 "[ . 1 ]" 1
1119 1 140 LYS QG 1 141 PHE H 6.500 . 6.500 4.091 3.224 4.389 . 0 0 "[ . 1 ]" 1
1120 1 139 GLU HA 1 141 PHE H 6.000 . 6.000 4.572 4.412 5.100 . 0 0 "[ . 1 ]" 1
1121 1 141 PHE H 1 142 LYS QG 6.500 . 6.500 5.340 4.031 6.462 . 0 0 "[ . 1 ]" 1
1122 1 141 PHE H 1 142 LYS QB 6.500 . 6.500 4.693 4.433 5.055 . 0 0 "[ . 1 ]" 1
1123 1 138 ASP H 1 141 PHE H 6.000 . 6.000 4.975 4.907 5.140 . 0 0 "[ . 1 ]" 1
1124 1 136 VAL QG 1 141 PHE H 8.000 . 8.000 3.719 2.132 5.029 . 0 0 "[ . 1 ]" 1
1125 1 139 GLU H 1 141 PHE H 6.000 . 6.000 4.363 4.259 4.719 . 0 0 "[ . 1 ]" 1
1126 1 141 PHE HA 1 142 LYS H . . 3.800 3.553 3.529 3.562 . 0 0 "[ . 1 ]" 1
1127 1 141 PHE HA 1 144 LEU HG 5.500 . 5.500 2.284 2.165 2.416 . 0 0 "[ . 1 ]" 1
1128 1 141 PHE HA 1 142 LYS QD 7.000 . 7.000 6.889 6.477 7.069 0.069 1 0 "[ . 1 ]" 1
1129 1 141 PHE HA 1 146 LEU QD 9.000 . 9.000 7.002 6.837 7.129 . 0 0 "[ . 1 ]" 1
1130 1 141 PHE QB 1 142 LYS H 6.500 . 6.500 2.418 2.400 2.460 . 0 0 "[ . 1 ]" 1
1131 1 139 GLU H 1 142 LYS H 5.500 . 5.500 4.810 4.753 5.010 . 0 0 "[ . 1 ]" 1
1132 1 142 LYS H 1 142 LYS QG . . 4.800 3.018 1.910 4.015 . 0 0 "[ . 1 ]" 1
1133 1 142 LYS H 1 142 LYS QE 5.500 . 5.500 3.937 2.553 5.350 . 0 0 "[ . 1 ]" 1
1134 1 142 LYS H 1 151 TRP HZ2 . . 7.000 4.008 3.323 5.603 . 0 0 "[ . 1 ]" 1
1135 1 142 LYS H 1 151 TRP HH2 . . 7.500 4.259 3.993 4.958 . 0 0 "[ . 1 ]" 1
1136 1 142 LYS HA 1 151 TRP HE1 . . 7.000 3.081 2.200 5.357 . 0 0 "[ . 1 ]" 1
1137 1 142 LYS HA 1 145 GLY H . . 4.500 4.259 4.120 4.399 . 0 0 "[ . 1 ]" 1
1138 1 142 LYS HA 1 146 LEU H . . 4.500 4.311 4.131 4.491 . 0 0 "[ . 1 ]" 1
1139 1 142 LYS HA 1 144 LEU QD 7.500 . 7.500 4.650 4.350 4.784 . 0 0 "[ . 1 ]" 1
1140 1 142 LYS QB 1 146 LEU HA 5.500 . 5.500 4.355 3.913 4.844 . 0 0 "[ . 1 ]" 1
1141 1 142 LYS QG 1 146 LEU HA 6.500 . 6.500 4.560 2.990 5.737 . 0 0 "[ . 1 ]" 1
1142 1 142 LYS QD 1 146 LEU HA 7.000 . 7.000 4.550 3.282 6.273 . 0 0 "[ . 1 ]" 1
1143 1 142 LYS QD 1 143 GLU HA 7.000 . 7.000 5.397 2.209 6.415 . 0 0 "[ . 1 ]" 1
1144 1 142 LYS QE 1 146 LEU HA 6.500 . 6.500 3.959 2.257 5.268 . 0 0 "[ . 1 ]" 1
1145 1 143 GLU H 1 143 GLU QG 4.500 . 4.500 3.621 3.089 4.044 . 0 0 "[ . 1 ]" 1
1146 1 140 LYS HA 1 143 GLU H 4.500 . 4.500 3.473 3.402 3.604 . 0 0 "[ . 1 ]" 1
1147 1 139 GLU QB 1 143 GLU H 5.200 . 5.200 4.990 4.881 5.212 0.012 4 0 "[ . 1 ]" 1
1148 1 141 PHE HA 1 143 GLU H 6.500 . 6.500 4.398 4.364 4.493 . 0 0 "[ . 1 ]" 1
1149 1 141 PHE H 1 143 GLU H 6.500 . 6.500 4.321 4.282 4.373 . 0 0 "[ . 1 ]" 1
1150 1 143 GLU H 1 144 LEU QD 6.500 . 6.500 4.374 4.313 4.540 . 0 0 "[ . 1 ]" 1
1151 1 143 GLU HA 1 145 GLY H 5.500 . 5.500 5.137 4.726 5.325 . 0 0 "[ . 1 ]" 1
1152 1 142 LYS HA 1 143 GLU HA 5.500 . 5.500 4.840 4.806 4.871 . 0 0 "[ . 1 ]" 1
1153 1 142 LYS QE 1 143 GLU HA 6.000 . 6.000 5.718 3.914 6.220 0.220 12 0 "[ . 1 ]" 1
1154 1 143 GLU QB 1 144 LEU HA 6.000 . 6.000 3.794 3.670 4.059 . 0 0 "[ . 1 ]" 1
1155 1 143 GLU QG 1 144 LEU HA 6.000 . 6.000 4.654 3.432 5.652 . 0 0 "[ . 1 ]" 1
1156 1 144 LEU H 1 145 GLY H 3.800 . 3.800 2.910 2.784 2.955 . 0 0 "[ . 1 ]" 1
1157 1 144 LEU H 1 146 LEU H 4.500 . 4.500 3.931 3.815 3.983 . 0 0 "[ . 1 ]" 1
1158 1 143 GLU QB 1 144 LEU H 4.500 . 4.500 2.274 2.047 2.505 . 0 0 "[ . 1 ]" 1
1159 1 144 LEU H 1 144 LEU HG 4.500 . 4.500 1.995 1.941 2.065 . 0 0 "[ . 1 ]" 1
1160 1 143 GLU HA 1 144 LEU H 4.500 . 4.500 3.599 3.577 3.606 . 0 0 "[ . 1 ]" 1
1161 1 141 PHE HA 1 144 LEU H 4.500 . 4.500 3.615 3.500 3.777 . 0 0 "[ . 1 ]" 1
1162 1 144 LEU H 1 146 LEU HG 5.500 . 5.500 5.127 4.594 5.526 0.026 3 0 "[ . 1 ]" 1
1163 1 144 LEU H 1 146 LEU QB 6.500 . 6.500 4.766 4.535 4.870 . 0 0 "[ . 1 ]" 1
1164 1 144 LEU H 1 146 LEU QD . . 6.000 4.550 4.330 4.652 . 0 0 "[ . 1 ]" 1
1165 1 142 LYS QE 1 144 LEU H 6.500 . 6.500 6.557 6.339 6.881 0.381 5 0 "[ . 1 ]" 1
1166 1 144 LEU HA 1 145 GLY H . . 4.200 3.527 3.522 3.542 . 0 0 "[ . 1 ]" 1
1167 1 144 LEU HA 1 146 LEU QD 8.500 . 8.500 3.969 3.824 4.096 . 0 0 "[ . 1 ]" 1
1168 1 144 LEU QB 1 145 GLY H . . 5.200 2.978 2.877 3.144 . 0 0 "[ . 1 ]" 1
1169 1 144 LEU QB 1 146 LEU QD 6.500 . 6.500 5.041 4.975 5.154 . 0 0 "[ . 1 ]" 1
1170 1 144 LEU HG 1 146 LEU QD 6.500 . 6.500 5.629 5.525 5.681 . 0 0 "[ . 1 ]" 1
1171 1 143 GLU H 1 144 LEU HG 6.000 . 6.000 4.159 3.971 4.332 . 0 0 "[ . 1 ]" 1
1172 1 143 GLU HA 1 144 LEU HG 6.000 . 6.000 5.276 5.179 5.419 . 0 0 "[ . 1 ]" 1
1173 1 143 GLU QB 1 144 LEU HG 6.500 . 6.500 3.984 3.770 4.207 . 0 0 "[ . 1 ]" 1
1174 1 145 GLY H 1 146 LEU H . . 3.800 2.782 2.580 2.888 . 0 0 "[ . 1 ]" 1
1175 1 143 GLU QB 1 145 GLY H 5.200 . 5.200 4.788 4.612 4.929 . 0 0 "[ . 1 ]" 1
1176 1 145 GLY H 1 146 LEU HA 5.200 . 5.200 4.769 4.613 4.856 . 0 0 "[ . 1 ]" 1
1177 1 144 LEU HG 1 145 GLY H 5.200 . 5.200 1.985 1.908 2.253 . 0 0 "[ . 1 ]" 1
1178 1 145 GLY H 1 146 LEU HG 5.200 . 5.200 4.717 4.373 5.115 . 0 0 "[ . 1 ]" 1
1179 1 141 PHE HA 1 145 GLY H 5.500 . 5.500 3.778 3.670 3.938 . 0 0 "[ . 1 ]" 1
1180 1 145 GLY H 1 146 LEU QD 7.500 . 7.500 4.866 4.712 4.995 . 0 0 "[ . 1 ]" 1
1181 1 144 LEU QD 1 145 GLY H 7.500 . 7.500 1.860 1.818 1.985 . 0 0 "[ . 1 ]" 1
1182 1 145 GLY QA 1 146 LEU H . . 3.800 2.918 2.908 2.927 . 0 0 "[ . 1 ]" 1
1183 1 146 LEU H 1 147 THR H 3.800 . 3.800 3.023 2.990 3.112 . 0 0 "[ . 1 ]" 1
1184 1 144 LEU QB 1 146 LEU H 4.500 . 4.500 4.554 4.496 4.658 0.158 9 0 "[ . 1 ]" 1
1185 1 146 LEU H 1 146 LEU HG 4.500 . 4.500 2.195 1.970 2.532 . 0 0 "[ . 1 ]" 1
1186 1 141 PHE HA 1 146 LEU H 6.000 . 6.000 6.110 6.056 6.172 0.172 9 0 "[ . 1 ]" 1
1187 1 142 LYS QB 1 146 LEU H 5.200 . 5.200 5.230 4.923 5.386 0.186 7 0 "[ . 1 ]" 1
1188 1 144 LEU QD 1 146 LEU H 7.200 . 7.200 4.113 3.923 4.205 . 0 0 "[ . 1 ]" 1
1189 1 146 LEU HA 1 147 THR H 3.800 . 3.800 3.415 3.306 3.450 . 0 0 "[ . 1 ]" 1
1190 1 142 LYS HA 1 146 LEU HA 6.000 . 6.000 3.592 3.415 3.944 . 0 0 "[ . 1 ]" 1
1191 1 146 LEU QB 1 147 THR H . . 4.500 3.786 3.717 3.953 . 0 0 "[ . 1 ]" 1
1192 1 146 LEU HG 1 147 THR H . . 4.500 3.185 2.868 3.362 . 0 0 "[ . 1 ]" 1
1193 1 146 LEU QD 1 147 THR H 5.500 . 5.500 2.562 2.240 3.270 . 0 0 "[ . 1 ]" 1
1194 1 145 GLY QA 1 146 LEU QD 6.000 . 6.000 4.312 4.130 4.600 . 0 0 "[ . 1 ]" 1
1195 1 147 THR H 1 147 THR MG 4.500 . 4.500 2.838 1.973 3.900 . 0 0 "[ . 1 ]" 1
1196 1 147 THR H 1 148 ALA H 4.500 . 4.500 3.216 3.046 3.495 . 0 0 "[ . 1 ]" 1
1197 1 147 THR H 1 148 ALA HA 5.500 . 5.500 4.783 4.670 5.024 . 0 0 "[ . 1 ]" 1
1198 1 147 THR H 1 147 THR HG1 5.000 . 5.000 3.813 2.007 4.333 . 0 0 "[ . 1 ]" 1
1199 1 147 THR HA 1 148 ALA H 3.800 . 3.800 2.423 2.375 2.509 . 0 0 "[ . 1 ]" 1
1200 1 147 THR HB 1 151 TRP HD1 8.500 . 8.500 5.701 5.543 5.956 . 0 0 "[ . 1 ]" 1
1201 1 147 THR MG 1 148 ALA H 4.500 . 4.500 3.995 3.784 4.340 . 0 0 "[ . 1 ]" 1
1202 1 147 THR MG 1 148 ALA HA 5.500 . 5.500 4.186 3.880 5.571 0.071 5 0 "[ . 1 ]" 1
1203 1 148 ALA H 1 151 TRP H 4.500 . 4.500 3.639 3.458 3.727 . 0 0 "[ . 1 ]" 1
1204 1 148 ALA H 1 149 PRO HA 5.500 . 5.500 5.153 5.047 5.324 . 0 0 "[ . 1 ]" 1
1205 1 148 ALA H 1 151 TRP QB 5.500 . 5.500 3.098 1.896 3.750 . 0 0 "[ . 1 ]" 1
1206 1 148 ALA H 1 151 TRP HD1 9.000 . 9.000 2.823 1.784 3.405 . 0 0 "[ . 1 ]" 1
1207 1 146 LEU HG 1 148 ALA H 6.500 . 6.500 6.079 5.840 6.208 . 0 0 "[ . 1 ]" 1
1208 1 147 THR HG1 1 148 ALA H 5.500 . 5.500 4.051 3.853 4.376 . 0 0 "[ . 1 ]" 1
1209 1 148 ALA MB 1 151 TRP H 4.800 . 4.800 3.090 2.528 3.395 . 0 0 "[ . 1 ]" 1
1210 1 147 THR HA 1 148 ALA MB 5.500 . 5.500 4.329 4.272 4.398 . 0 0 "[ . 1 ]" 1
1211 1 147 THR HG1 1 148 ALA MB 5.500 . 5.500 5.191 4.009 5.742 0.242 9 0 "[ . 1 ]" 1
1212 1 150 GLY H 1 151 TRP H 3.800 . 3.800 2.725 2.647 2.827 . 0 0 "[ . 1 ]" 1
1213 1 150 GLY H 1 153 GLU H 6.500 . 6.500 5.027 4.880 5.139 . 0 0 "[ . 1 ]" 1
1214 1 150 GLY H 1 151 TRP HA 6.000 . 6.000 5.310 5.252 5.389 . 0 0 "[ . 1 ]" 1
1215 1 150 GLY H 1 151 TRP QB 6.500 . 6.500 4.853 4.696 5.029 . 0 0 "[ . 1 ]" 1
1216 1 149 PRO HA 1 150 GLY H 4.500 . 4.500 3.464 3.382 3.562 . 0 0 "[ . 1 ]" 1
1217 1 150 GLY H 1 154 VAL QG 8.500 . 8.500 5.361 5.218 5.602 . 0 0 "[ . 1 ]" 1
1218 1 150 GLY H 1 154 VAL H 6.500 . 6.500 6.074 5.983 6.159 . 0 0 "[ . 1 ]" 1
1219 1 150 GLY H 1 151 TRP HH2 7.500 . 7.500 7.578 7.370 7.779 0.279 4 0 "[ . 1 ]" 1
1220 1 149 PRO QB 1 150 GLY H 7.500 . 7.500 3.212 2.435 3.626 . 0 0 "[ . 1 ]" 1
1221 1 150 GLY QA 1 153 GLU H 5.500 . 5.500 4.010 3.847 4.179 . 0 0 "[ . 1 ]" 1
1222 1 150 GLY QA 1 151 TRP H 4.500 . 4.500 2.645 2.621 2.663 . 0 0 "[ . 1 ]" 1
1223 1 151 TRP H 1 153 GLU H 5.500 . 5.500 4.497 4.383 4.639 . 0 0 "[ . 1 ]" 1
1224 1 151 TRP H 1 152 ASP QB 6.000 . 6.000 4.375 4.276 4.624 . 0 0 "[ . 1 ]" 1
1225 1 151 TRP H 1 154 VAL HB 6.000 . 6.000 5.186 4.914 5.435 . 0 0 "[ . 1 ]" 1
1226 1 151 TRP H 1 152 ASP HA 5.000 . 5.000 5.216 5.169 5.261 0.261 10 0 "[ . 1 ]" 1
1227 1 151 TRP H 1 151 TRP HZ3 7.500 . 7.500 5.460 5.070 6.128 . 0 0 "[ . 1 ]" 1
1228 1 147 THR HA 1 151 TRP H 6.000 . 6.000 5.763 5.566 6.002 0.002 5 0 "[ . 1 ]" 1
1229 1 151 TRP H 1 154 VAL QG 6.500 . 6.500 4.541 4.379 4.819 . 0 0 "[ . 1 ]" 1
1230 1 151 TRP H 1 155 VAL QG 7.500 . 7.500 5.189 4.712 5.375 . 0 0 "[ . 1 ]" 1
1231 1 149 PRO QB 1 151 TRP H 6.000 . 6.000 5.259 4.801 5.521 . 0 0 "[ . 1 ]" 1
1232 1 147 THR HG1 1 151 TRP H 7.000 . 7.000 7.321 7.217 7.448 0.448 1 0 "[ . 1 ]" 1
1233 1 147 THR HG1 1 151 TRP QB 6.000 . 6.000 5.718 4.711 6.118 0.118 11 0 "[ . 1 ]" 1
1234 1 149 PRO QG 1 151 TRP QB 7.000 . 7.000 6.830 6.596 7.043 0.043 5 0 "[ . 1 ]" 1
1235 1 152 ASP H 1 153 GLU H 3.800 . 3.800 2.962 2.865 3.028 . 0 0 "[ . 1 ]" 1
1236 1 151 TRP QB 1 152 ASP H 4.500 . 4.500 2.467 2.397 2.497 . 0 0 "[ . 1 ]" 1
1237 1 152 ASP H 1 154 VAL H 4.500 . 4.500 4.625 4.575 4.655 0.155 6 0 "[ . 1 ]" 1
1238 1 151 TRP HA 1 152 ASP H 4.500 . 4.500 3.522 3.511 3.530 . 0 0 "[ . 1 ]" 1
1239 1 152 ASP H 1 155 VAL QG 5.200 . 5.200 5.123 4.763 5.231 0.031 7 0 "[ . 1 ]" 1
1240 1 152 ASP H 1 157 LYS H 6.000 . 6.000 6.205 6.184 6.222 0.222 2 0 "[ . 1 ]" 1
1241 1 152 ASP H 1 153 GLU QG 6.000 . 6.000 4.911 3.874 6.236 0.236 1 0 "[ . 1 ]" 1
1242 1 152 ASP H 1 154 VAL HB 6.000 . 6.000 5.513 5.354 5.805 . 0 0 "[ . 1 ]" 1
1243 1 151 TRP HE1 1 152 ASP H 8.000 . 8.000 6.669 5.733 7.105 . 0 0 "[ . 1 ]" 1
1244 1 151 TRP HH2 1 152 ASP H 8.500 . 8.500 8.670 8.585 8.821 0.321 9 0 "[ . 1 ]" 1
1245 1 149 PRO QG 1 152 ASP H 6.000 . 6.000 6.013 5.787 6.117 0.117 1 0 "[ . 1 ]" 1
1246 1 151 TRP HZ3 1 152 ASP H 8.000 . 8.000 7.475 7.185 8.050 0.050 4 0 "[ . 1 ]" 1
1247 1 152 ASP HA 1 155 VAL QG 5.500 . 5.500 4.666 4.522 4.726 . 0 0 "[ . 1 ]" 1
1248 1 152 ASP HA 1 153 GLU H 5.500 . 5.500 3.552 3.530 3.565 . 0 0 "[ . 1 ]" 1
1249 1 152 ASP HA 1 154 VAL H 6.000 . 6.000 5.151 5.076 5.220 . 0 0 "[ . 1 ]" 1
1250 1 152 ASP HA 1 155 VAL HB 6.000 . 6.000 4.365 4.156 4.443 . 0 0 "[ . 1 ]" 1
1251 1 152 ASP QB 1 153 GLU H . . 5.200 2.235 2.136 2.321 . 0 0 "[ . 1 ]" 1
1252 1 152 ASP QB 1 155 VAL QG 7.000 . 7.000 5.708 5.583 5.762 . 0 0 "[ . 1 ]" 1
1253 1 153 GLU H 1 154 VAL H 3.800 . 3.800 2.940 2.860 3.023 . 0 0 "[ . 1 ]" 1
1254 1 153 GLU H 1 155 VAL H 5.700 . 5.700 4.984 4.910 5.041 . 0 0 "[ . 1 ]" 1
1255 1 153 GLU H 1 154 VAL HA 6.500 . 6.500 5.464 5.408 5.517 . 0 0 "[ . 1 ]" 1
1256 1 153 GLU H 1 156 GLY QA 5.500 . 5.500 5.454 5.349 5.492 . 0 0 "[ . 1 ]" 1
1257 1 153 GLU H 1 155 VAL HB 6.000 . 6.000 6.044 5.859 6.112 0.112 8 0 "[ . 1 ]" 1
1258 1 153 GLU H 1 155 VAL QG 6.500 . 6.500 5.741 5.545 5.837 . 0 0 "[ . 1 ]" 1
1259 1 153 GLU H 1 154 VAL QG 6.500 . 6.500 4.237 4.133 4.473 . 0 0 "[ . 1 ]" 1
1260 1 153 GLU HA 1 155 VAL H 5.500 . 5.500 5.464 5.376 5.629 0.129 5 0 "[ . 1 ]" 1
1261 1 153 GLU QB 1 154 VAL H 5.200 . 5.200 2.641 2.069 3.137 . 0 0 "[ . 1 ]" 1
1262 1 150 GLY QA 1 153 GLU QB 5.800 . 5.800 3.912 3.248 4.471 . 0 0 "[ . 1 ]" 1
1263 1 152 ASP H 1 153 GLU QB 6.000 . 6.000 4.973 4.516 5.409 . 0 0 "[ . 1 ]" 1
1264 1 153 GLU QB 1 154 VAL QG 6.500 . 6.500 3.232 2.648 3.623 . 0 0 "[ . 1 ]" 1
1265 1 153 GLU QG 1 155 VAL H . . 6.000 5.213 4.530 6.198 0.198 1 0 "[ . 1 ]" 1
1266 1 154 VAL H 1 155 VAL H 3.800 . 3.800 3.172 3.069 3.215 . 0 0 "[ . 1 ]" 1
1267 1 153 GLU HA 1 154 VAL H 3.800 . 3.800 3.571 3.553 3.586 . 0 0 "[ . 1 ]" 1
1268 1 154 VAL H 1 154 VAL HB 3.800 . 3.800 2.595 2.432 2.661 . 0 0 "[ . 1 ]" 1
1269 1 154 VAL H 1 155 VAL QG 5.500 . 5.500 4.579 4.386 4.694 . 0 0 "[ . 1 ]" 1
1270 1 153 GLU QG 1 154 VAL H 5.200 . 5.200 2.633 1.861 3.891 . 0 0 "[ . 1 ]" 1
1271 1 154 VAL H 1 155 VAL HB 5.500 . 5.500 5.213 5.064 5.276 . 0 0 "[ . 1 ]" 1
1272 1 151 TRP HA 1 154 VAL H 4.500 . 4.500 3.873 3.683 3.983 . 0 0 "[ . 1 ]" 1
1273 1 151 TRP HZ3 1 154 VAL H 8.500 . 8.500 6.860 6.024 8.516 0.016 4 0 "[ . 1 ]" 1
1274 1 154 VAL H 1 158 GLY QA 6.500 . 6.500 5.838 5.424 6.513 0.013 3 0 "[ . 1 ]" 1
1275 1 154 VAL HA 1 155 VAL HB 5.500 . 5.500 5.812 5.786 5.859 0.359 4 0 "[ . 1 ]" 1
1276 1 154 VAL HA 1 155 VAL H 5.500 . 5.500 3.517 3.507 3.525 . 0 0 "[ . 1 ]" 1
1277 1 154 VAL HB 1 155 VAL HB 4.800 . 4.800 4.138 4.033 4.342 . 0 0 "[ . 1 ]" 1
1278 1 154 VAL HB 1 155 VAL QG 5.800 . 5.800 2.856 2.628 2.982 . 0 0 "[ . 1 ]" 1
1279 1 154 VAL HB 1 155 VAL H . . 4.500 1.957 1.920 2.042 . 0 0 "[ . 1 ]" 1
1280 1 153 GLU H 1 154 VAL HB 5.500 . 5.500 5.087 4.938 5.299 . 0 0 "[ . 1 ]" 1
1281 1 151 TRP HZ3 1 154 VAL HB 8.500 . 8.500 5.059 4.335 6.732 . 0 0 "[ . 1 ]" 1
1282 1 154 VAL QG 1 155 VAL HB 5.800 . 5.800 4.242 4.077 4.478 . 0 0 "[ . 1 ]" 1
1283 1 154 VAL QG 1 155 VAL H . . 5.500 2.704 2.473 2.815 . 0 0 "[ . 1 ]" 1
1284 1 151 TRP HE1 1 154 VAL QG 8.500 . 8.500 7.063 6.793 7.438 . 0 0 "[ . 1 ]" 1
1285 1 151 TRP HA 1 154 VAL QG 6.000 . 6.000 3.376 3.141 3.701 . 0 0 "[ . 1 ]" 1
1286 1 152 ASP H 1 154 VAL QG 6.000 . 6.000 5.125 5.017 5.359 . 0 0 "[ . 1 ]" 1
1287 1 151 TRP HZ3 1 154 VAL QG 8.500 . 8.500 3.918 3.149 5.803 . 0 0 "[ . 1 ]" 1
1288 1 151 TRP HD1 1 154 VAL QG 8.500 . 8.500 6.698 6.489 6.939 . 0 0 "[ . 1 ]" 1
1289 1 154 VAL QG 1 155 VAL QG . . 7.000 2.482 2.048 2.723 . 0 0 "[ . 1 ]" 1
1290 1 155 VAL H 1 156 GLY H 3.800 . 3.800 2.864 2.825 2.952 . 0 0 "[ . 1 ]" 1
1291 1 152 ASP H 1 155 VAL H 5.500 . 5.500 5.184 5.103 5.223 . 0 0 "[ . 1 ]" 1
1292 1 152 ASP QB 1 155 VAL H 6.000 . 6.000 5.916 5.859 5.987 . 0 0 "[ . 1 ]" 1
1293 1 155 VAL H 1 156 GLY QA 4.500 . 4.500 4.653 4.617 4.736 0.236 5 0 "[ . 1 ]" 1
1294 1 155 VAL HA 1 156 GLY H . . 3.800 3.579 3.571 3.586 . 0 0 "[ . 1 ]" 1
1295 1 154 VAL QG 1 155 VAL HA 6.500 . 6.500 3.216 3.021 3.342 . 0 0 "[ . 1 ]" 1
1296 1 155 VAL HB 1 156 GLY H . . 5.000 2.225 2.169 2.324 . 0 0 "[ . 1 ]" 1
1297 1 151 TRP HE1 1 155 VAL QG 6.500 . 6.500 6.371 6.188 6.620 0.120 9 0 "[ . 1 ]" 1
1298 1 155 VAL QG 1 156 GLY H 5.500 . 5.500 2.879 2.808 3.068 . 0 0 "[ . 1 ]" 1
1299 1 151 TRP HA 1 155 VAL QG 6.500 . 6.500 2.874 2.373 3.135 . 0 0 "[ . 1 ]" 1
1300 1 154 VAL HA 1 155 VAL QG 6.000 . 6.000 4.586 4.489 4.652 . 0 0 "[ . 1 ]" 1
1301 1 153 GLU QB 1 155 VAL QG 8.000 . 8.000 6.037 5.729 6.330 . 0 0 "[ . 1 ]" 1
1302 1 151 TRP HH2 1 155 VAL QG 6.000 . 6.000 6.098 6.040 6.205 0.205 5 0 "[ . 1 ]" 1
1303 1 152 ASP HA 1 156 GLY H 4.500 . 4.500 3.248 3.166 3.300 . 0 0 "[ . 1 ]" 1
1304 1 153 GLU HA 1 156 GLY H 5.000 . 5.000 4.974 4.862 5.022 0.022 5 0 "[ . 1 ]" 1
1305 1 154 VAL HB 1 156 GLY H 5.500 . 5.500 4.704 4.630 4.765 . 0 0 "[ . 1 ]" 1
1306 1 154 VAL QG 1 156 GLY H 7.000 . 7.000 4.697 4.543 4.786 . 0 0 "[ . 1 ]" 1
1307 1 152 ASP H 1 156 GLY H 6.000 . 6.000 5.009 4.832 5.090 . 0 0 "[ . 1 ]" 1
1308 1 154 VAL H 1 156 GLY H 6.000 . 6.000 4.664 4.487 4.791 . 0 0 "[ . 1 ]" 1
1309 1 152 ASP QB 1 156 GLY H . . 6.000 5.023 4.848 5.115 . 0 0 "[ . 1 ]" 1
1310 1 155 VAL QG 1 156 GLY QA 6.000 . 6.000 3.072 2.987 3.301 . 0 0 "[ . 1 ]" 1
1311 1 155 VAL HB 1 156 GLY QA 5.200 . 5.200 3.802 3.725 3.864 . 0 0 "[ . 1 ]" 1
1312 1 153 GLU QB 1 156 GLY H 6.000 . 6.000 5.860 5.697 6.026 0.026 8 0 "[ . 1 ]" 1
1313 1 156 GLY QA 1 157 LYS H 4.500 . 4.500 2.488 2.476 2.514 . 0 0 "[ . 1 ]" 1
1314 1 157 LYS H 1 158 GLY QA 4.500 . 4.500 4.486 4.431 4.551 0.051 3 0 "[ . 1 ]" 1
1315 1 157 LYS H 1 157 LYS QG 3.800 . 3.800 3.405 1.937 3.812 0.012 8 0 "[ . 1 ]" 1
1316 1 155 VAL QG 1 157 LYS H 5.500 . 5.500 4.872 4.829 4.978 . 0 0 "[ . 1 ]" 1
1317 1 157 LYS H 1 158 GLY H . . 3.800 2.815 2.721 2.951 . 0 0 "[ . 1 ]" 1
1318 1 155 VAL HB 1 157 LYS H 5.200 . 5.200 5.130 5.088 5.189 . 0 0 "[ . 1 ]" 1
1319 1 154 VAL HB 1 157 LYS H 6.000 . 6.000 6.000 5.959 6.039 0.039 4 0 "[ . 1 ]" 1
1320 1 155 VAL H 1 157 LYS H 6.000 . 6.000 4.668 4.601 4.774 . 0 0 "[ . 1 ]" 1
1321 1 157 LYS H 1 157 LYS QE 7.000 . 7.000 5.184 3.872 6.011 . 0 0 "[ . 1 ]" 1
1322 1 157 LYS HA 1 158 GLY H 3.800 . 3.800 3.567 3.561 3.578 . 0 0 "[ . 1 ]" 1
1323 1 157 LYS QB 1 158 GLY H 5.200 . 5.200 2.300 1.977 2.437 . 0 0 "[ . 1 ]" 1
1324 1 157 LYS QG 1 158 GLY H 5.200 . 5.200 4.082 3.722 4.351 . 0 0 "[ . 1 ]" 1
1325 1 158 GLY H 1 159 LYS H . . 4.500 2.505 2.271 2.728 . 0 0 "[ . 1 ]" 1
1326 1 155 VAL QG 1 158 GLY H 7.200 . 7.200 5.103 4.862 5.499 . 0 0 "[ . 1 ]" 1
1327 1 158 GLY QA 1 159 LYS H . . 4.500 2.593 2.558 2.809 . 0 0 "[ . 1 ]" 1
1328 1 157 LYS QB 1 158 GLY QA 6.500 . 6.500 3.773 3.680 3.848 . 0 0 "[ . 1 ]" 1
1329 1 155 VAL QG 1 158 GLY QA 7.000 . 7.000 4.728 4.577 4.923 . 0 0 "[ . 1 ]" 1
1330 1 154 VAL QG 1 158 GLY QA 6.000 . 6.000 3.975 3.621 4.441 . 0 0 "[ . 1 ]" 1
1331 1 157 LYS HA 1 158 GLY QA 5.500 . 5.500 4.330 4.255 4.462 . 0 0 "[ . 1 ]" 1
1332 1 159 LYS H 1 159 LYS QG 4.500 . 4.500 3.357 1.974 4.041 . 0 0 "[ . 1 ]" 1
1333 1 159 LYS H 1 160 GLU H 4.500 . 4.500 2.791 2.289 3.069 . 0 0 "[ . 1 ]" 1
1334 1 155 VAL QG 1 159 LYS H 7.000 . 7.000 6.132 5.163 7.017 0.017 1 0 "[ . 1 ]" 1
1335 1 158 GLY QA 1 160 GLU H 4.500 . 4.500 3.198 3.055 3.494 . 0 0 "[ . 1 ]" 1
1336 1 159 LYS QB 1 160 GLU H 5.200 . 5.200 3.471 2.846 4.047 . 0 0 "[ . 1 ]" 1
1337 1 159 LYS QG 1 160 GLU H 5.200 . 5.200 4.316 3.815 4.592 . 0 0 "[ . 1 ]" 1
1338 1 160 GLU H 1 163 SER HA 5.500 . 5.500 5.332 4.571 5.521 0.021 8 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 217
_Distance_constraint_stats_list.Viol_count 204
_Distance_constraint_stats_list.Viol_total 679.788
_Distance_constraint_stats_list.Viol_max 1.030
_Distance_constraint_stats_list.Viol_rms 0.0945
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0218
_Distance_constraint_stats_list.Viol_average_violations_only 0.2777
_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 32 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 37 SER 0.000 0.000 . 0 "[ . 1 ]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 40 VAL 1.540 0.235 1 0 "[ . 1 ]"
1 41 THR 1.259 0.205 5 0 "[ . 1 ]"
1 42 LEU 4.285 0.419 2 0 "[ . 1 ]"
1 44 LYS 1.539 0.176 4 0 "[ . 1 ]"
1 45 SER 2.485 0.287 11 0 "[ . 1 ]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 ]"
1 49 ASP 4.027 0.415 10 0 "[ . 1 ]"
1 50 LYS 3.506 0.461 8 0 "[ . 1 ]"
1 51 THR 0.169 0.098 5 0 "[ . 1 ]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 53 SER 4.971 0.479 2 0 "[ . 1 ]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 56 LEU 2.323 0.305 9 0 "[ . 1 ]"
1 57 TRP 1.328 0.164 6 0 "[ . 1 ]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 62 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 64 SER 2.323 0.305 9 0 "[ . 1 ]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 69 GLN 4.971 0.479 2 0 "[ . 1 ]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 72 ILE 1.328 0.164 6 0 "[ . 1 ]"
1 73 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 77 ALA 0.816 0.187 9 0 "[ . 1 ]"
1 78 TYR 9.581 0.937 12 9 "[* *-.* ****+]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 81 SER 0.000 0.000 . 0 "[ . 1 ]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 98 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 99 THR 0.000 0.000 . 0 "[ . 1 ]"
1 100 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 101 THR 5.563 0.937 12 7 "[ * .* **-*+]"
1 102 PRO 0.816 0.187 9 0 "[ . 1 ]"
1 103 ILE 2.873 0.428 1 0 "[ . 1 ]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 105 THR 0.000 0.000 . 0 "[ . 1 ]"
1 106 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 108 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 111 THR 3.506 0.461 8 0 "[ . 1 ]"
1 112 GLN 4.027 0.415 10 0 "[ . 1 ]"
1 113 GLU 0.000 0.000 . 0 "[ . 1 ]"
1 114 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 115 ILE 9.693 1.030 9 11 "[** -****+***]"
1 116 ILE 4.410 0.449 8 0 "[ . 1 ]"
1 118 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 120 LEU 9.693 1.030 9 11 "[** -****+***]"
1 121 LEU 4.410 0.449 8 0 "[ . 1 ]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 124 LYS 1.314 0.809 1 2 "[+ -. 1 ]"
1 125 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 127 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 128 TRP 0.000 0.000 . 0 "[ . 1 ]"
1 130 MET 0.000 0.000 . 0 "[ . 1 ]"
1 131 LYS 0.129 0.090 5 0 "[ . 1 ]"
1 132 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 133 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 134 SER 1.410 0.235 1 0 "[ . 1 ]"
1 135 ILE 1.479 0.176 4 0 "[ . 1 ]"
1 136 VAL 8.030 0.419 2 0 "[ . 1 ]"
1 137 SER 0.000 0.000 . 0 "[ . 1 ]"
1 138 ASP 1.328 0.284 4 0 "[ . 1 ]"
1 139 GLU 3.449 0.428 8 0 "[ . 1 ]"
1 141 PHE 0.000 0.000 . 0 "[ . 1 ]"
1 142 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 144 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 151 TRP 4.717 0.428 8 0 "[ . 1 ]"
1 154 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 155 VAL 0.000 0.000 . 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 32 PHE QB 1 132 LEU QD 7.500 . 7.500 4.610 2.443 5.011 . 0 0 "[ . 1 ]" 2
2 1 40 VAL QG 1 59 ALA HA . . 5.500 3.809 3.476 4.093 . 0 0 "[ . 1 ]" 2
3 1 40 VAL QG 1 134 SER H . . 4.700 4.503 3.548 4.935 0.235 1 0 "[ . 1 ]" 2
4 1 40 VAL QG 1 133 VAL H . . 7.000 5.580 4.333 6.385 . 0 0 "[ . 1 ]" 2
5 1 40 VAL H 1 131 LYS QE 7.000 . 7.000 4.693 3.192 5.910 . 0 0 "[ . 1 ]" 2
6 1 44 LYS H 1 138 ASP H . . 5.500 4.914 4.424 5.560 0.060 5 0 "[ . 1 ]" 2
7 1 44 LYS H 1 136 VAL H . . 5.500 2.722 2.575 2.901 . 0 0 "[ . 1 ]" 2
8 1 44 LYS H 1 136 VAL HA 6.000 . 6.000 4.378 4.274 4.500 . 0 0 "[ . 1 ]" 2
9 1 44 LYS H 1 135 ILE H 6.000 . 6.000 6.123 6.083 6.176 0.176 4 0 "[ . 1 ]" 2
10 1 44 LYS QB 1 136 VAL HA 7.000 . 7.000 2.761 2.575 3.014 . 0 0 "[ . 1 ]" 2
11 1 44 LYS QB 1 137 SER HA 7.000 . 7.000 2.386 2.101 2.758 . 0 0 "[ . 1 ]" 2
12 1 44 LYS QB 1 138 ASP H . . 6.500 4.321 3.984 4.633 . 0 0 "[ . 1 ]" 2
13 1 44 LYS QD 1 138 ASP H 7.000 . 7.000 5.374 4.179 6.242 . 0 0 "[ . 1 ]" 2
14 1 44 LYS QG 1 137 SER HA 7.000 . 7.000 4.378 4.043 4.946 . 0 0 "[ . 1 ]" 2
15 1 44 LYS QD 1 137 SER HA 6.000 . 6.000 3.466 2.652 4.296 . 0 0 "[ . 1 ]" 2
16 1 45 SER H 1 136 VAL HA 6.000 . 6.000 6.207 6.149 6.287 0.287 11 0 "[ . 1 ]" 2
17 1 45 SER H 1 138 ASP H 6.000 . 6.000 4.163 3.425 4.925 . 0 0 "[ . 1 ]" 2
18 1 45 SER H 1 138 ASP QB 7.000 . 7.000 5.192 3.946 6.065 . 0 0 "[ . 1 ]" 2
19 1 48 TYR QE 1 111 THR HG1 8.000 . 8.000 7.037 5.933 7.210 . 0 0 "[ . 1 ]" 2
20 1 48 TYR QD 1 111 THR HG1 8.000 . 8.000 5.360 4.679 5.755 . 0 0 "[ . 1 ]" 2
21 1 49 ASP H 1 112 GLN H . . 6.000 6.336 6.248 6.415 0.415 10 0 "[ . 1 ]" 2
22 1 49 ASP H 1 111 THR MG 7.000 . 7.000 3.840 3.501 4.129 . 0 0 "[ . 1 ]" 2
23 1 49 ASP H 1 111 THR HB 7.000 . 7.000 5.680 5.404 5.984 . 0 0 "[ . 1 ]" 2
24 1 50 LYS H 1 111 THR HB 7.500 . 7.500 4.277 4.120 4.536 . 0 0 "[ . 1 ]" 2
25 1 50 LYS H 1 111 THR MG 7.500 . 7.500 3.516 3.170 3.819 . 0 0 "[ . 1 ]" 2
26 1 50 LYS H 1 111 THR HA . . 6.000 6.292 6.156 6.461 0.461 8 0 "[ . 1 ]" 2
27 1 51 THR HA 1 101 THR HG1 7.500 . 7.500 7.224 6.458 7.598 0.098 5 0 "[ . 1 ]" 2
28 1 51 THR H 1 111 THR HB 7.000 . 7.000 2.626 2.474 2.922 . 0 0 "[ . 1 ]" 2
29 1 52 PHE QB 1 103 ILE HB 7.000 . 7.000 5.911 5.671 6.330 . 0 0 "[ . 1 ]" 2
30 1 52 PHE QB 1 103 ILE QG 7.500 . 7.500 4.441 4.282 4.678 . 0 0 "[ . 1 ]" 2
31 1 52 PHE QB 1 103 ILE MG 7.500 . 7.500 5.810 5.685 5.898 . 0 0 "[ . 1 ]" 2
32 1 53 SER H 1 69 GLN H 6.000 . 6.000 6.414 6.317 6.479 0.479 2 0 "[ . 1 ]" 2
33 1 53 SER H 1 72 ILE QG 7.500 . 7.500 3.532 3.195 3.926 . 0 0 "[ . 1 ]" 2
34 1 54 LYS H 1 72 ILE QG . . 7.500 6.082 5.757 6.495 . 0 0 "[ . 1 ]" 2
35 1 55 VAL QG 1 134 SER H 8.500 . 8.500 5.762 5.321 6.151 . 0 0 "[ . 1 ]" 2
36 1 55 VAL QG 1 133 VAL HA 8.000 . 8.000 4.844 4.406 5.243 . 0 0 "[ . 1 ]" 2
37 1 55 VAL QG 1 59 ALA HA 8.500 . 8.500 5.135 5.035 5.256 . 0 0 "[ . 1 ]" 2
38 1 56 LEU HG 1 123 LEU QB 7.500 . 7.500 5.806 5.475 5.975 . 0 0 "[ . 1 ]" 2
39 1 56 LEU HG 1 64 SER H 6.000 . 6.000 6.194 6.119 6.305 0.305 9 0 "[ . 1 ]" 2
40 1 56 LEU HG 1 72 ILE MG 8.500 . 8.500 6.578 6.266 7.027 . 0 0 "[ . 1 ]" 2
41 1 56 LEU QD 1 72 ILE MG 8.500 . 8.500 4.030 3.745 4.402 . 0 0 "[ . 1 ]" 2
42 1 56 LEU QD 1 123 LEU QB 7.500 . 7.500 4.255 3.888 4.493 . 0 0 "[ . 1 ]" 2
43 1 56 LEU QD 1 72 ILE H 7.500 . 7.500 4.013 3.777 4.178 . 0 0 "[ . 1 ]" 2
44 1 56 LEU QD 1 71 ILE H 7.500 . 7.500 4.581 4.355 4.742 . 0 0 "[ . 1 ]" 2
45 1 57 TRP H 1 72 ILE MD 7.500 . 7.500 5.542 5.314 5.859 . 0 0 "[ . 1 ]" 2
46 1 40 VAL QG 1 60 GLY H 8.500 . 8.500 3.313 2.382 3.881 . 0 0 "[ . 1 ]" 2
47 1 60 GLY H 1 131 LYS QE 7.500 . 7.500 2.335 1.446 3.494 . 0 0 "[ . 1 ]" 2
48 1 61 LEU H 1 125 LEU QD 8.000 . 8.000 5.718 5.583 6.016 . 0 0 "[ . 1 ]" 2
49 1 61 LEU QB 1 125 LEU QD 8.000 . 8.000 4.044 3.767 5.321 . 0 0 "[ . 1 ]" 2
50 1 40 VAL H 1 61 LEU QD 7.500 . 7.500 5.575 4.945 5.736 . 0 0 "[ . 1 ]" 2
51 1 61 LEU QD 1 130 MET HA 7.000 . 7.000 4.548 3.990 5.203 . 0 0 "[ . 1 ]" 2
52 1 61 LEU QD 1 131 LYS H 6.500 . 6.500 4.112 3.682 4.836 . 0 0 "[ . 1 ]" 2
53 1 61 LEU QD 1 132 LEU H 6.500 . 6.500 4.498 4.041 4.857 . 0 0 "[ . 1 ]" 2
54 1 39 ARG HA 1 61 LEU QD 7.500 . 7.500 5.131 4.682 5.416 . 0 0 "[ . 1 ]" 2
55 1 61 LEU QD 1 131 LYS QE 8.000 . 8.000 2.871 1.799 3.864 . 0 0 "[ . 1 ]" 2
56 1 62 VAL H 1 125 LEU QD 7.500 . 7.500 5.662 5.625 5.688 . 0 0 "[ . 1 ]" 2
57 1 62 VAL QG 1 128 TRP HZ3 10.500 . 10.500 4.975 3.779 7.282 . 0 0 "[ . 1 ]" 2
58 1 57 TRP HA 1 64 SER H 6.000 . 6.000 3.417 3.265 3.792 . 0 0 "[ . 1 ]" 2
59 1 57 TRP HD1 1 64 SER HA 8.000 . 8.000 5.509 5.026 6.221 . 0 0 "[ . 1 ]" 2
60 1 57 TRP HE1 1 64 SER HA 8.000 . 8.000 7.342 6.794 7.987 . 0 0 "[ . 1 ]" 2
61 1 57 TRP QB 1 68 GLY H 6.500 . 6.500 3.545 3.377 3.885 . 0 0 "[ . 1 ]" 2
62 1 71 ILE H 1 127 LYS QD 6.500 . 6.500 5.314 4.637 5.848 . 0 0 "[ . 1 ]" 2
63 1 71 ILE HB 1 127 LYS QD 6.500 . 6.500 4.644 3.650 5.552 . 0 0 "[ . 1 ]" 2
64 1 71 ILE HB 1 77 ALA MB 6.500 . 6.500 4.255 3.820 4.545 . 0 0 "[ . 1 ]" 2
65 1 71 ILE MG 1 125 LEU HA 6.000 . 6.000 3.841 3.532 4.061 . 0 0 "[ . 1 ]" 2
66 1 71 ILE MG 1 77 ALA HA 6.000 . 6.000 4.518 4.291 4.759 . 0 0 "[ . 1 ]" 2
67 1 71 ILE QG 1 125 LEU QD 7.000 . 7.000 3.212 2.739 3.769 . 0 0 "[ . 1 ]" 2
68 1 72 ILE H 1 77 ALA MB 6.000 . 6.000 4.659 4.449 4.812 . 0 0 "[ . 1 ]" 2
69 1 57 TRP HE1 1 72 ILE HB 9.000 . 9.000 8.720 7.335 9.032 0.032 5 0 "[ . 1 ]" 2
70 1 57 TRP HD1 1 72 ILE HB 8.000 . 8.000 8.108 7.996 8.164 0.164 6 0 "[ . 1 ]" 2
71 1 53 SER QB 1 72 ILE HB 7.000 . 7.000 5.627 5.005 6.318 . 0 0 "[ . 1 ]" 2
72 1 72 ILE HB 1 105 THR HB 6.000 . 6.000 4.071 3.308 5.046 . 0 0 "[ . 1 ]" 2
73 1 72 ILE MG 1 105 THR HB 7.000 . 7.000 3.284 2.435 4.196 . 0 0 "[ . 1 ]" 2
74 1 72 ILE MG 1 104 LYS HA 6.000 . 6.000 3.669 3.486 3.986 . 0 0 "[ . 1 ]" 2
75 1 72 ILE MG 1 77 ALA MB 7.000 . 7.000 3.694 3.548 3.819 . 0 0 "[ . 1 ]" 2
76 1 72 ILE MG 1 125 LEU QD 7.000 . 7.000 4.437 4.409 4.466 . 0 0 "[ . 1 ]" 2
77 1 72 ILE MG 1 103 ILE MD 7.500 . 7.500 1.740 1.626 1.978 . 0 0 "[ . 1 ]" 2
78 1 72 ILE MG 1 103 ILE HA 7.500 . 7.500 3.082 2.891 3.265 . 0 0 "[ . 1 ]" 2
79 1 72 ILE MG 1 101 THR HB 8.500 . 8.500 6.406 5.668 6.937 . 0 0 "[ . 1 ]" 2
80 1 72 ILE MG 1 104 LYS QB 8.500 . 8.500 5.005 4.839 5.256 . 0 0 "[ . 1 ]" 2
81 1 72 ILE QG 1 105 THR HB 7.000 . 7.000 4.786 3.782 5.723 . 0 0 "[ . 1 ]" 2
82 1 72 ILE QG 1 125 LEU QD 8.400 . 8.400 4.406 4.065 4.652 . 0 0 "[ . 1 ]" 2
83 1 53 SER QB 1 72 ILE QG 7.000 . 7.000 3.597 2.970 4.271 . 0 0 "[ . 1 ]" 2
84 1 57 TRP HE1 1 72 ILE QG 8.400 . 8.400 6.043 4.773 6.411 . 0 0 "[ . 1 ]" 2
85 1 57 TRP H 1 72 ILE QG 8.500 . 8.500 6.622 6.473 6.756 . 0 0 "[ . 1 ]" 2
86 1 72 ILE MD 1 77 ALA MB 6.500 . 6.500 3.117 2.742 3.398 . 0 0 "[ . 1 ]" 2
87 1 72 ILE MD 1 103 ILE HB 6.500 . 6.500 5.207 5.068 5.297 . 0 0 "[ . 1 ]" 2
88 1 67 GLU HA 1 72 ILE MD 8.500 . 8.500 6.852 6.771 7.070 . 0 0 "[ . 1 ]" 2
89 1 53 SER QB 1 72 ILE MD 7.500 . 7.500 4.270 3.794 4.899 . 0 0 "[ . 1 ]" 2
90 1 70 ARG HD3 1 73 ASN H 7.500 . 7.500 6.275 4.846 7.108 . 0 0 "[ . 1 ]" 2
91 1 76 GLY QA 1 127 LYS QG 6.500 . 6.500 4.642 4.187 5.216 . 0 0 "[ . 1 ]" 2
92 1 77 ALA H 1 102 PRO HA 6.000 . 6.000 6.014 5.754 6.187 0.187 9 0 "[ . 1 ]" 2
93 1 78 TYR H 1 103 ILE HA 6.000 . 6.000 5.664 5.543 5.789 . 0 0 "[ . 1 ]" 2
94 1 78 TYR H 1 103 ILE H . . 5.500 5.739 5.607 5.928 0.428 1 0 "[ . 1 ]" 2
95 1 78 TYR H 1 101 THR HB 6.000 . 6.000 5.738 5.348 6.026 0.026 9 0 "[ . 1 ]" 2
96 1 78 TYR H 1 126 GLY H . . 5.200 4.767 4.674 4.881 . 0 0 "[ . 1 ]" 2
97 1 78 TYR HA 1 103 ILE H . . 5.500 3.323 2.986 3.856 . 0 0 "[ . 1 ]" 2
98 1 78 TYR QD 1 100 PHE HZ 8.000 . 8.000 5.505 4.308 6.615 . 0 0 "[ . 1 ]" 2
99 1 78 TYR QE 1 100 PHE HZ 8.000 . 8.000 4.375 4.042 4.929 . 0 0 "[ . 1 ]" 2
100 1 78 TYR HH 1 100 PHE HZ 8.000 . 8.000 4.855 3.417 6.933 . 0 0 "[ . 1 ]" 2
101 1 78 TYR QD 1 101 THR HA 8.000 . 8.000 4.689 4.366 5.412 . 0 0 "[ . 1 ]" 2
102 1 78 TYR QE 1 101 THR HA 8.000 . 8.000 5.843 5.121 6.091 . 0 0 "[ . 1 ]" 2
103 1 78 TYR HH 1 101 THR HA 8.000 . 8.000 8.037 5.524 8.937 0.937 12 7 "[ * .* **-*+]" 2
104 1 78 TYR QD 1 99 THR HA 8.000 . 8.000 6.601 6.451 6.884 . 0 0 "[ . 1 ]" 2
105 1 78 TYR QE 1 99 THR HA 8.000 . 8.000 5.291 5.049 5.796 . 0 0 "[ . 1 ]" 2
106 1 78 TYR HH 1 99 THR HA 8.000 . 8.000 6.637 5.594 7.670 . 0 0 "[ . 1 ]" 2
107 1 78 TYR QD 1 124 LYS QB 8.000 . 8.000 2.541 1.894 4.516 . 0 0 "[ . 1 ]" 2
108 1 78 TYR QE 1 124 LYS QB 8.000 . 8.000 3.486 2.276 6.343 . 0 0 "[ . 1 ]" 2
109 1 78 TYR HH 1 124 LYS QB 8.000 . 8.000 6.118 5.172 8.809 0.809 1 2 "[+ -. 1 ]" 2
110 1 78 TYR QD 1 125 LEU HA 8.000 . 8.000 5.948 5.391 6.971 . 0 0 "[ . 1 ]" 2
111 1 78 TYR QD 1 124 LYS HA 8.000 . 8.000 5.333 4.500 7.094 . 0 0 "[ . 1 ]" 2
112 1 78 TYR QD 1 99 THR HB 9.000 . 9.000 6.212 5.967 6.361 . 0 0 "[ . 1 ]" 2
113 1 78 TYR QD 1 101 THR HB 9.000 . 9.000 4.210 3.757 4.687 . 0 0 "[ . 1 ]" 2
114 1 78 TYR QD 1 124 LYS QG . . 7.500 3.784 1.907 5.253 . 0 0 "[ . 1 ]" 2
115 1 78 TYR QD 1 124 LYS QE 8.000 . 8.000 4.415 3.391 5.089 . 0 0 "[ . 1 ]" 2
116 1 78 TYR QD 1 98 LEU QD 8.000 . 8.000 5.327 5.210 5.375 . 0 0 "[ . 1 ]" 2
117 1 79 VAL H 1 103 ILE HA 6.000 . 6.000 5.221 4.952 5.652 . 0 0 "[ . 1 ]" 2
118 1 79 VAL H 1 103 ILE MG 7.500 . 7.500 6.250 6.032 6.472 . 0 0 "[ . 1 ]" 2
119 1 79 VAL H 1 103 ILE MD . . 7.000 4.823 4.074 5.243 . 0 0 "[ . 1 ]" 2
120 1 79 VAL H 1 102 PRO HA 6.000 . 6.000 5.324 5.061 5.830 . 0 0 "[ . 1 ]" 2
121 1 79 VAL HB 1 103 ILE MD 7.000 . 7.000 4.088 3.720 4.458 . 0 0 "[ . 1 ]" 2
122 1 79 VAL HB 1 103 ILE MG 7.500 . 7.500 6.526 6.437 6.649 . 0 0 "[ . 1 ]" 2
123 1 81 SER H 1 120 LEU QD 7.500 . 7.500 4.913 4.794 5.109 . 0 0 "[ . 1 ]" 2
124 1 81 SER QB 1 120 LEU QD 7.000 . 7.000 4.675 4.639 4.743 . 0 0 "[ . 1 ]" 2
125 1 96 ASP H 1 113 GLU QG 7.000 . 7.000 6.217 5.755 6.303 . 0 0 "[ . 1 ]" 2
126 1 81 SER QB 1 96 ASP H 6.500 . 6.500 5.918 5.819 6.025 . 0 0 "[ . 1 ]" 2
127 1 81 SER QB 1 98 LEU H 6.000 . 6.000 5.030 4.690 5.226 . 0 0 "[ . 1 ]" 2
128 1 82 ARG QB 1 99 THR H 7.000 . 7.000 4.389 4.145 4.718 . 0 0 "[ . 1 ]" 2
129 1 80 GLY QA 1 99 THR H 7.000 . 7.000 2.789 2.675 2.945 . 0 0 "[ . 1 ]" 2
130 1 82 ARG HA 1 99 THR H 6.000 . 6.000 5.295 5.024 5.455 . 0 0 "[ . 1 ]" 2
131 1 81 SER QB 1 99 THR H 6.500 . 6.500 3.909 3.622 4.093 . 0 0 "[ . 1 ]" 2
132 1 81 SER H 1 99 THR H 4.500 . 4.500 1.942 1.837 2.011 . 0 0 "[ . 1 ]" 2
133 1 99 THR MG 1 110 LYS QE 7.500 . 7.500 4.269 2.771 5.625 . 0 0 "[ . 1 ]" 2
134 1 81 SER QB 1 99 THR MG 7.500 . 7.500 3.157 2.817 3.536 . 0 0 "[ . 1 ]" 2
135 1 81 SER QB 1 99 THR HA 6.500 . 6.500 4.465 4.343 4.726 . 0 0 "[ . 1 ]" 2
136 1 100 PHE QD 1 124 LYS QD 8.000 . 8.000 6.062 5.275 6.399 . 0 0 "[ . 1 ]" 2
137 1 100 PHE QE 1 124 LYS QD 8.000 . 8.000 5.570 4.694 5.957 . 0 0 "[ . 1 ]" 2
138 1 100 PHE HZ 1 124 LYS QD 8.000 . 8.000 6.638 5.810 7.299 . 0 0 "[ . 1 ]" 2
139 1 101 THR HA 1 106 TRP HZ2 7.500 . 7.500 4.443 2.944 6.108 . 0 0 "[ . 1 ]" 2
140 1 78 TYR QD 1 101 THR MG 8.500 . 8.500 4.763 3.738 5.532 . 0 0 "[ . 1 ]" 2
141 1 78 TYR QD 1 102 PRO QB 7.500 . 7.500 6.182 5.835 6.348 . 0 0 "[ . 1 ]" 2
142 1 79 VAL QG 1 103 ILE MD 7.000 . 7.000 3.760 3.076 4.116 . 0 0 "[ . 1 ]" 2
143 1 49 ASP HA 1 108 ALA H 6.000 . 6.000 5.174 4.909 5.431 . 0 0 "[ . 1 ]" 2
144 1 50 LYS QG 1 108 ALA H 7.000 . 7.000 5.135 4.571 5.803 . 0 0 "[ . 1 ]" 2
145 1 51 THR H 1 108 ALA MB 7.000 . 7.000 6.005 5.943 6.078 . 0 0 "[ . 1 ]" 2
146 1 50 LYS HA 1 108 ALA MB 7.000 . 7.000 5.161 4.973 5.376 . 0 0 "[ . 1 ]" 2
147 1 49 ASP H 1 108 ALA MB 7.000 . 7.000 5.749 5.641 5.877 . 0 0 "[ . 1 ]" 2
148 1 49 ASP HA 1 108 ALA MB 7.000 . 7.000 3.439 3.316 3.567 . 0 0 "[ . 1 ]" 2
149 1 50 LYS H 1 108 ALA MB 7.000 . 7.000 5.943 5.875 6.043 . 0 0 "[ . 1 ]" 2
150 1 112 GLN H 1 115 ILE MG 8.000 . 8.000 4.012 3.193 5.312 . 0 0 "[ . 1 ]" 2
151 1 48 TYR QD 1 112 GLN H 8.500 . 8.500 5.596 4.815 5.944 . 0 0 "[ . 1 ]" 2
152 1 48 TYR QE 1 112 GLN H 8.500 . 8.500 7.108 6.318 7.608 . 0 0 "[ . 1 ]" 2
153 1 79 VAL QG 1 114 PHE QD 8.000 . 8.000 2.734 2.257 3.126 . 0 0 "[ . 1 ]" 2
154 1 79 VAL QG 1 114 PHE QE 8.000 . 8.000 2.703 2.018 3.718 . 0 0 "[ . 1 ]" 2
155 1 79 VAL QG 1 114 PHE HZ 8.000 . 8.000 3.390 1.926 5.540 . 0 0 "[ . 1 ]" 2
156 1 79 VAL HB 1 114 PHE QD 8.500 . 8.500 5.424 4.712 5.934 . 0 0 "[ . 1 ]" 2
157 1 79 VAL HB 1 114 PHE QE 8.500 . 8.500 5.041 4.489 6.150 . 0 0 "[ . 1 ]" 2
158 1 79 VAL HB 1 114 PHE HZ 8.500 . 8.500 5.992 4.516 8.220 . 0 0 "[ . 1 ]" 2
159 1 81 SER HA 1 115 ILE MD 7.000 . 7.000 4.487 4.053 4.736 . 0 0 "[ . 1 ]" 2
160 1 82 ARG H 1 115 ILE MD 7.000 . 7.000 5.855 5.535 5.947 . 0 0 "[ . 1 ]" 2
161 1 81 SER H 1 115 ILE MD 7.500 . 7.500 5.695 4.770 6.346 . 0 0 "[ . 1 ]" 2
162 1 112 GLN QE 1 115 ILE HA 6.500 . 6.500 5.901 5.787 6.057 . 0 0 "[ . 1 ]" 2
163 1 115 ILE HA 1 120 LEU H 6.000 . 6.000 6.808 6.456 7.030 1.030 9 11 "[** -****+***]" 2
164 1 116 ILE H 1 121 LEU HA 6.000 . 6.000 6.367 6.217 6.449 0.449 8 0 "[ . 1 ]" 2
165 1 82 ARG QD 1 116 ILE QG 8.500 . 8.500 6.826 6.745 6.972 . 0 0 "[ . 1 ]" 2
166 1 82 ARG QB 1 116 ILE QG 8.500 . 8.500 6.948 6.866 7.028 . 0 0 "[ . 1 ]" 2
167 1 72 ILE HA 1 123 LEU QD 7.500 . 7.500 5.813 5.765 5.868 . 0 0 "[ . 1 ]" 2
168 1 78 TYR QD 1 124 LYS QD 8.500 . 8.500 2.700 2.096 3.509 . 0 0 "[ . 1 ]" 2
169 1 74 ASN QD 1 125 LEU HA 7.000 . 7.000 5.035 4.841 5.265 . 0 0 "[ . 1 ]" 2
170 1 78 TYR QD 1 126 GLY H 8.500 . 8.500 6.633 6.202 7.147 . 0 0 "[ . 1 ]" 2
171 1 67 GLU QG 1 127 LYS QD 8.500 . 8.500 5.881 4.546 6.755 . 0 0 "[ . 1 ]" 2
172 1 37 SER QB 1 130 MET QB 7.000 . 7.000 4.320 3.521 5.605 . 0 0 "[ . 1 ]" 2
173 1 37 SER HA 1 130 MET QG 6.500 . 6.500 5.724 4.682 5.886 . 0 0 "[ . 1 ]" 2
174 1 59 ALA HA 1 131 LYS QG 7.000 . 7.000 6.482 6.175 6.895 . 0 0 "[ . 1 ]" 2
175 1 62 VAL HB 1 131 LYS QG 7.000 . 7.000 6.324 6.225 6.437 . 0 0 "[ . 1 ]" 2
176 1 62 VAL QG 1 131 LYS QG 7.000 . 7.000 4.758 4.704 4.817 . 0 0 "[ . 1 ]" 2
177 1 40 VAL HB 1 131 LYS QG . . 6.000 4.912 4.080 6.090 0.090 5 0 "[ . 1 ]" 2
178 1 40 VAL QG 1 131 LYS QG 7.500 . 7.500 3.538 2.834 4.568 . 0 0 "[ . 1 ]" 2
179 1 40 VAL HB 1 131 LYS QE 6.500 . 6.500 4.137 2.643 5.809 . 0 0 "[ . 1 ]" 2
180 1 40 VAL QG 1 131 LYS QE 8.000 . 8.000 3.022 1.814 4.174 . 0 0 "[ . 1 ]" 2
181 1 62 VAL HA 1 131 LYS QE 7.000 . 7.000 6.465 6.274 6.644 . 0 0 "[ . 1 ]" 2
182 1 61 LEU HA 1 131 LYS QE 7.000 . 7.000 3.787 2.624 4.655 . 0 0 "[ . 1 ]" 2
183 1 59 ALA HA 1 131 LYS QE 7.000 . 7.000 5.479 4.660 6.354 . 0 0 "[ . 1 ]" 2
184 1 61 LEU H 1 131 LYS QE 7.500 . 7.500 2.264 1.881 2.563 . 0 0 "[ . 1 ]" 2
185 1 32 PHE QD 1 132 LEU QD 7.500 . 7.500 4.279 3.390 4.975 . 0 0 "[ . 1 ]" 2
186 1 119 ASP QB 1 135 ILE H 6.500 . 6.500 5.562 5.384 5.763 . 0 0 "[ . 1 ]" 2
187 1 44 LYS QG 1 136 VAL H 7.000 . 7.000 4.488 4.150 4.948 . 0 0 "[ . 1 ]" 2
188 1 42 LEU H 1 136 VAL H . . 4.500 4.857 4.793 4.919 0.419 2 0 "[ . 1 ]" 2
189 1 44 LYS HA 1 136 VAL H 6.000 . 6.000 4.239 3.982 4.428 . 0 0 "[ . 1 ]" 2
190 1 45 SER H 1 136 VAL H 6.000 . 6.000 5.449 5.205 5.600 . 0 0 "[ . 1 ]" 2
191 1 41 THR HA 1 136 VAL H 6.000 . 6.000 6.105 6.046 6.205 0.205 5 0 "[ . 1 ]" 2
192 1 42 LEU HG 1 136 VAL H 6.000 . 6.000 5.548 5.124 5.941 . 0 0 "[ . 1 ]" 2
193 1 118 GLY QA 1 136 VAL H 7.000 . 7.000 6.318 6.105 6.429 . 0 0 "[ . 1 ]" 2
194 1 138 ASP H 1 151 TRP HH2 7.500 . 7.500 7.606 7.514 7.784 0.284 4 0 "[ . 1 ]" 2
195 1 139 GLU H 1 151 TRP HZ3 8.000 . 8.000 8.023 6.742 8.428 0.428 8 0 "[ . 1 ]" 2
196 1 139 GLU H 1 151 TRP HH2 7.500 . 7.500 7.337 6.882 7.647 0.147 9 0 "[ . 1 ]" 2
197 1 44 LYS QB 1 139 GLU H 7.000 . 7.000 6.334 6.258 6.420 . 0 0 "[ . 1 ]" 2
198 1 142 LYS H 1 151 TRP HZ3 7.500 . 7.500 5.463 3.535 6.291 . 0 0 "[ . 1 ]" 2
199 1 142 LYS HA 1 151 TRP HZ2 7.000 . 7.000 2.951 2.343 4.292 . 0 0 "[ . 1 ]" 2
200 1 142 LYS QB 1 151 TRP HH2 7.000 . 7.000 4.943 2.776 5.622 . 0 0 "[ . 1 ]" 2
201 1 142 LYS QG 1 151 TRP HH2 7.000 . 7.000 4.668 3.562 6.069 . 0 0 "[ . 1 ]" 2
202 1 142 LYS QG 1 151 TRP HZ2 7.000 . 7.000 4.611 3.678 5.371 . 0 0 "[ . 1 ]" 2
203 1 142 LYS QG 1 151 TRP NE1 7.000 . 7.000 4.620 3.330 6.198 . 0 0 "[ . 1 ]" 2
204 1 142 LYS QG 1 155 VAL QG 7.000 . 7.000 4.162 3.070 4.665 . 0 0 "[ . 1 ]" 2
205 1 142 LYS QD 1 155 VAL QG 7.000 . 7.000 2.994 2.571 3.222 . 0 0 "[ . 1 ]" 2
206 1 142 LYS QD 1 151 TRP HH2 8.000 . 8.000 5.257 4.645 5.934 . 0 0 "[ . 1 ]" 2
207 1 142 LYS QD 1 151 TRP HZ2 8.000 . 8.000 5.306 3.780 6.989 . 0 0 "[ . 1 ]" 2
208 1 142 LYS QD 1 151 TRP NE1 8.000 . 8.000 4.788 2.353 7.341 . 0 0 "[ . 1 ]" 2
209 1 142 LYS QE 1 155 VAL QG 6.500 . 6.500 2.761 1.806 3.297 . 0 0 "[ . 1 ]" 2
210 1 142 LYS QE 1 151 TRP HH2 7.000 . 7.000 4.068 3.222 5.300 . 0 0 "[ . 1 ]" 2
211 1 142 LYS QE 1 151 TRP HZ2 7.000 . 7.000 4.103 2.988 6.267 . 0 0 "[ . 1 ]" 2
212 1 142 LYS QE 1 151 TRP NE1 8.000 . 8.000 3.624 2.400 6.302 . 0 0 "[ . 1 ]" 2
213 1 141 PHE QD 1 144 LEU QD 5.000 . 5.000 1.864 1.691 2.609 . 0 0 "[ . 1 ]" 2
214 1 141 PHE QE 1 144 LEU QD 5.000 . 5.000 2.144 1.883 3.032 . 0 0 "[ . 1 ]" 2
215 1 141 PHE HZ 1 144 LEU QD 5.000 . 5.000 3.864 3.788 3.888 . 0 0 "[ . 1 ]" 2
216 1 142 LYS QE 1 154 VAL QG 6.500 . 6.500 4.340 4.313 4.360 . 0 0 "[ . 1 ]" 2
217 1 142 LYS QB 1 155 VAL QG 7.500 . 7.500 4.693 3.140 5.040 . 0 0 "[ . 1 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 190
_Distance_constraint_stats_list.Viol_count 383
_Distance_constraint_stats_list.Viol_total 783.639
_Distance_constraint_stats_list.Viol_max 0.617
_Distance_constraint_stats_list.Viol_rms 0.0861
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0286
_Distance_constraint_stats_list.Viol_average_violations_only 0.1705
_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 38 ALA 1.904 0.283 8 0 "[ . 1 ]"
1 39 ARG 8.371 0.585 10 5 "[ .-* *+* ]"
1 40 VAL 2.028 0.199 11 0 "[ . 1 ]"
1 41 THR 1.553 0.162 6 0 "[ . 1 ]"
1 42 LEU 5.368 0.510 11 1 "[ . 1+ ]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 77 ALA 5.267 0.342 7 0 "[ . 1 ]"
1 78 TYR 0.178 0.088 4 0 "[ . 1 ]"
1 79 VAL 2.083 0.213 8 0 "[ . 1 ]"
1 80 GLY 1.732 0.141 1 0 "[ . 1 ]"
1 81 SER 8.664 0.617 2 12 [*+********-*]
1 82 ARG 0.022 0.022 12 0 "[ . 1 ]"
1 98 LEU 1.587 0.237 6 0 "[ . 1 ]"
1 99 THR 0.000 0.000 . 0 "[ . 1 ]"
1 100 PHE 0.059 0.037 3 0 "[ . 1 ]"
1 101 THR 0.428 0.178 1 0 "[ . 1 ]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 120 LEU 3.409 0.382 3 0 "[ . 1 ]"
1 121 LEU 9.140 0.617 2 12 [*+********-*]
1 122 ILE 8.282 0.325 7 0 "[ . 1 ]"
1 123 LEU 12.757 0.378 12 0 "[ . 1 ]"
1 124 LYS 7.698 0.312 2 0 "[ . 1 ]"
1 125 LEU 5.257 0.342 7 0 "[ . 1 ]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 130 MET 9.518 0.378 12 0 "[ . 1 ]"
1 131 LYS 9.281 0.585 10 5 "[ .-* *+* ]"
1 132 LEU 7.131 0.325 7 0 "[ . 1 ]"
1 133 VAL 8.027 0.351 8 0 "[ . 1 ]"
1 134 SER 5.477 0.382 3 0 "[ . 1 ]"
1 135 ILE 5.384 0.510 11 1 "[ . 1+ ]"
1 136 VAL 0.000 0.000 . 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 ALA H 1 131 LYS HA . 3.800 4.000 3.641 3.517 3.795 0.283 8 0 "[ . 1 ]" 3
2 1 38 ALA H 1 132 LEU H . . 5.200 4.285 4.113 4.571 . 0 0 "[ . 1 ]" 3
3 1 38 ALA MB 1 131 LYS HA 5.500 . 5.500 2.936 2.008 3.787 . 0 0 "[ . 1 ]" 3
4 1 39 ARG H 1 131 LYS HA 5.000 . 5.000 5.504 5.439 5.585 0.585 10 5 "[ .-* *+* ]" 3
5 1 39 ARG HA 1 132 LEU H . 2.800 3.000 2.798 2.556 3.136 0.244 4 0 "[ . 1 ]" 3
6 1 39 ARG HA 1 133 VAL HA 6.000 . 6.000 4.031 3.862 4.172 . 0 0 "[ . 1 ]" 3
7 1 39 ARG QD 1 133 VAL HA 6.000 . 6.000 2.634 2.052 3.666 . 0 0 "[ . 1 ]" 3
8 1 39 ARG QD 1 132 LEU H 6.500 . 6.500 3.944 3.408 4.228 . 0 0 "[ . 1 ]" 3
9 1 39 ARG QD 1 122 ILE HA 5.500 . 5.500 5.539 4.712 5.777 0.277 12 0 "[ . 1 ]" 3
10 1 39 ARG QD 1 132 LEU QD 6.500 . 6.500 1.997 1.698 2.809 . 0 0 "[ . 1 ]" 3
11 1 40 VAL H 1 133 VAL HA . 2.800 3.000 2.684 2.634 2.727 0.166 1 0 "[ . 1 ]" 3
12 1 40 VAL H 1 134 SER H 6.000 . 6.000 4.126 3.910 4.259 . 0 0 "[ . 1 ]" 3
13 1 40 VAL H 1 132 LEU H . . 4.200 4.108 3.996 4.259 0.059 5 0 "[ . 1 ]" 3
14 1 40 VAL HB 1 131 LYS QD 6.000 . 6.000 3.685 2.942 4.767 . 0 0 "[ . 1 ]" 3
15 1 40 VAL HB 1 133 VAL QG 5.500 . 5.500 2.818 2.229 3.686 . 0 0 "[ . 1 ]" 3
16 1 40 VAL HB 1 133 VAL HA 5.500 . 5.500 4.518 4.173 5.041 . 0 0 "[ . 1 ]" 3
17 1 40 VAL QG 1 132 LEU H 7.000 . 7.000 4.629 3.703 5.339 . 0 0 "[ . 1 ]" 3
18 1 40 VAL QG 1 131 LYS HA 7.000 . 7.000 5.116 4.418 5.827 . 0 0 "[ . 1 ]" 3
19 1 41 THR H 1 134 SER H 6.000 . 6.000 4.940 4.796 5.083 . 0 0 "[ . 1 ]" 3
20 1 41 THR HA 1 134 SER H . 2.800 3.000 2.719 2.638 2.908 0.162 6 0 "[ . 1 ]" 3
21 1 41 THR HA 1 134 SER QB 5.000 . 5.000 3.713 3.473 3.903 . 0 0 "[ . 1 ]" 3
22 1 41 THR HA 1 133 VAL QG 6.000 . 6.000 2.554 1.949 3.115 . 0 0 "[ . 1 ]" 3
23 1 41 THR HA 1 134 SER HA 6.000 . 6.000 5.070 4.926 5.241 . 0 0 "[ . 1 ]" 3
24 1 41 THR HA 1 135 ILE HA 6.000 . 6.000 4.422 4.223 4.660 . 0 0 "[ . 1 ]" 3
25 1 41 THR HA 1 132 LEU QD 7.500 . 7.500 6.112 5.790 7.403 . 0 0 "[ . 1 ]" 3
26 1 42 LEU H 1 135 ILE HA . 3.800 4.000 3.360 3.290 3.406 0.510 11 1 "[ . 1+ ]" 3
27 1 42 LEU H 1 134 SER QB 5.000 . 5.000 4.847 4.459 5.053 0.053 2 0 "[ . 1 ]" 3
28 1 42 LEU H 1 135 ILE HB 6.000 . 6.000 4.866 4.245 5.519 . 0 0 "[ . 1 ]" 3
29 1 76 GLY H 1 123 LEU QD 7.500 . 7.500 7.113 6.951 7.263 . 0 0 "[ . 1 ]" 3
30 1 77 ALA H 1 125 LEU HA 6.000 . 6.000 4.777 4.566 5.030 . 0 0 "[ . 1 ]" 3
31 1 77 ALA H 1 103 ILE QG 7.000 . 7.000 2.229 2.038 2.423 . 0 0 "[ . 1 ]" 3
32 1 77 ALA H 1 103 ILE MG 7.000 . 7.000 2.270 1.776 3.115 . 0 0 "[ . 1 ]" 3
33 1 77 ALA H 1 123 LEU QD 7.500 . 7.500 6.218 6.011 6.376 . 0 0 "[ . 1 ]" 3
34 1 77 ALA HA 1 126 GLY H 5.500 . 5.500 2.752 2.677 2.924 . 0 0 "[ . 1 ]" 3
35 1 77 ALA HA 1 125 LEU HA . . 2.100 2.373 2.311 2.442 0.342 7 0 "[ . 1 ]" 3
36 1 77 ALA MB 1 125 LEU HA 5.200 . 5.200 2.095 1.849 2.558 . 0 0 "[ . 1 ]" 3
37 1 77 ALA MB 1 103 ILE MD 7.000 . 7.000 1.766 1.683 1.834 . 0 0 "[ . 1 ]" 3
38 1 78 TYR H 1 124 LYS H . . 4.200 3.396 3.298 3.461 . 0 0 "[ . 1 ]" 3
39 1 78 TYR H 1 125 LEU HA 4.500 . 4.500 3.618 3.500 3.748 . 0 0 "[ . 1 ]" 3
40 1 78 TYR H 1 124 LYS QG 5.500 . 5.500 4.771 2.227 5.526 0.026 3 0 "[ . 1 ]" 3
41 1 78 TYR H 1 122 ILE MD 8.500 . 8.500 8.386 7.688 8.588 0.088 4 0 "[ . 1 ]" 3
42 1 78 TYR H 1 123 LEU HA 6.000 . 6.000 5.296 5.184 5.405 . 0 0 "[ . 1 ]" 3
43 1 78 TYR H 1 124 LYS QE 7.000 . 7.000 6.085 4.187 6.997 . 0 0 "[ . 1 ]" 3
44 1 78 TYR H 1 125 LEU HG 6.000 . 6.000 4.854 4.507 5.054 . 0 0 "[ . 1 ]" 3
45 1 78 TYR QB 1 124 LYS QB 6.000 . 6.000 3.685 2.443 4.702 . 0 0 "[ . 1 ]" 3
46 1 79 VAL H 1 124 LYS H 5.500 . 5.500 5.283 5.211 5.320 . 0 0 "[ . 1 ]" 3
47 1 79 VAL HA 1 123 LEU HA . . 2.700 2.850 2.817 2.913 0.213 8 0 "[ . 1 ]" 3
48 1 79 VAL HA 1 122 ILE MG 6.000 . 6.000 5.951 5.715 6.107 0.107 4 0 "[ . 1 ]" 3
49 1 79 VAL QG 1 103 ILE MG 7.000 . 7.000 5.963 5.775 6.074 . 0 0 "[ . 1 ]" 3
50 1 79 VAL QG 1 103 ILE QG 7.000 . 7.000 5.512 4.877 5.854 . 0 0 "[ . 1 ]" 3
51 1 79 VAL QG 1 100 PHE HA 5.500 . 5.500 3.960 3.721 4.462 . 0 0 "[ . 1 ]" 3
52 1 79 VAL QG 1 101 THR HB 6.000 . 6.000 2.146 1.777 2.992 . 0 0 "[ . 1 ]" 3
53 1 79 VAL QG 1 103 ILE HA 6.000 . 6.000 4.652 4.310 4.882 . 0 0 "[ . 1 ]" 3
54 1 79 VAL QG 1 101 THR HG1 6.500 . 6.500 1.853 1.778 2.086 . 0 0 "[ . 1 ]" 3
55 1 80 GLY H 1 124 LYS H 4.500 . 4.500 4.591 4.561 4.641 0.141 1 0 "[ . 1 ]" 3
56 1 80 GLY H 1 122 ILE HB . . 4.500 3.389 3.063 3.592 . 0 0 "[ . 1 ]" 3
57 1 80 GLY H 1 123 LEU HA . . 5.000 3.419 3.362 3.465 . 0 0 "[ . 1 ]" 3
58 1 80 GLY H 1 122 ILE MG 6.500 . 6.500 4.866 4.611 5.001 . 0 0 "[ . 1 ]" 3
59 1 80 GLY H 1 122 ILE QG 5.500 . 5.500 3.441 2.990 3.628 . 0 0 "[ . 1 ]" 3
60 1 80 GLY H 1 122 ILE H . . 4.500 3.976 3.877 4.059 . 0 0 "[ . 1 ]" 3
61 1 80 GLY H 1 100 PHE HA 6.500 . 6.500 5.005 4.809 5.226 . 0 0 "[ . 1 ]" 3
62 1 80 GLY QA 1 124 LYS H 6.000 . 6.000 6.046 5.910 6.118 0.118 5 0 "[ . 1 ]" 3
63 1 80 GLY QA 1 100 PHE HA 6.000 . 6.000 3.340 3.121 3.555 . 0 0 "[ . 1 ]" 3
64 1 80 GLY QA 1 122 ILE HB . . 5.000 3.693 3.357 3.874 . 0 0 "[ . 1 ]" 3
65 1 80 GLY QA 1 122 ILE QG 7.000 . 7.000 3.019 2.585 3.311 . 0 0 "[ . 1 ]" 3
66 1 80 GLY QA 1 122 ILE MG 6.800 . 6.800 4.696 4.382 4.814 . 0 0 "[ . 1 ]" 3
67 1 81 SER H 1 100 PHE HA 5.500 . 5.500 5.378 5.180 5.537 0.037 3 0 "[ . 1 ]" 3
68 1 81 SER H 1 99 THR HA 5.500 . 5.500 3.772 3.718 3.822 . 0 0 "[ . 1 ]" 3
69 1 81 SER H 1 99 THR HB 5.500 . 5.500 1.912 1.814 2.261 . 0 0 "[ . 1 ]" 3
70 1 81 SER H 1 98 LEU QB 5.500 . 5.500 5.087 5.038 5.150 . 0 0 "[ . 1 ]" 3
71 1 81 SER H 1 98 LEU QD . . 6.500 3.667 3.248 3.882 . 0 0 "[ . 1 ]" 3
72 1 81 SER H 1 101 THR H 7.000 . 7.000 7.000 6.847 7.178 0.178 1 0 "[ . 1 ]" 3
73 1 81 SER H 1 98 LEU H 6.500 . 6.500 5.428 5.289 5.584 . 0 0 "[ . 1 ]" 3
74 1 81 SER H 1 122 ILE HB 6.000 . 6.000 5.754 5.516 6.061 0.061 1 0 "[ . 1 ]" 3
75 1 81 SER QB 1 98 LEU HG 6.000 . 6.000 6.132 6.009 6.237 0.237 6 0 "[ . 1 ]" 3
76 1 81 SER QB 1 98 LEU QD 7.500 . 7.500 5.089 4.613 5.307 . 0 0 "[ . 1 ]" 3
77 1 81 SER QB 1 123 LEU QD 9.500 . 9.500 8.229 7.945 8.449 . 0 0 "[ . 1 ]" 3
78 1 82 ARG HA 1 98 LEU H 5.500 . 5.500 4.768 4.489 4.970 . 0 0 "[ . 1 ]" 3
79 1 82 ARG QB 1 98 LEU QD 6.000 . 6.000 3.661 3.333 4.174 . 0 0 "[ . 1 ]" 3
80 1 82 ARG HA 1 98 LEU QD 6.500 . 6.500 5.070 4.619 5.311 . 0 0 "[ . 1 ]" 3
81 1 79 VAL QG 1 98 LEU QD 7.500 . 7.500 5.585 5.483 5.808 . 0 0 "[ . 1 ]" 3
82 1 82 ARG QB 1 100 PHE QB 9.000 . 9.000 8.765 8.201 9.022 0.022 12 0 "[ . 1 ]" 3
83 1 100 PHE QB 1 122 ILE QG 8.500 . 8.500 8.222 7.828 8.501 0.001 2 0 "[ . 1 ]" 3
84 1 78 TYR QD 1 100 PHE HA 7.000 . 7.000 2.353 2.142 2.881 . 0 0 "[ . 1 ]" 3
85 1 78 TYR QE 1 100 PHE QB 7.000 . 7.000 3.244 2.261 3.640 . 0 0 "[ . 1 ]" 3
86 1 80 GLY QA 1 101 THR H 5.500 . 5.500 4.596 4.352 4.804 . 0 0 "[ . 1 ]" 3
87 1 79 VAL H 1 103 ILE H 6.000 . 6.000 4.096 3.752 4.617 . 0 0 "[ . 1 ]" 3
88 1 79 VAL HB 1 103 ILE H 6.000 . 6.000 4.346 4.240 4.610 . 0 0 "[ . 1 ]" 3
89 1 79 VAL QG 1 103 ILE H 6.000 . 6.000 4.628 4.521 4.764 . 0 0 "[ . 1 ]" 3
90 1 77 ALA MB 1 103 ILE H 6.000 . 6.000 4.938 4.691 5.338 . 0 0 "[ . 1 ]" 3
91 1 78 TYR HA 1 103 ILE QG 7.000 . 7.000 4.935 4.424 5.288 . 0 0 "[ . 1 ]" 3
92 1 77 ALA MB 1 103 ILE QG 7.000 . 7.000 1.947 1.768 2.183 . 0 0 "[ . 1 ]" 3
93 1 78 TYR H 1 103 ILE MD 7.000 . 7.000 3.819 3.235 4.213 . 0 0 "[ . 1 ]" 3
94 1 79 VAL HA 1 103 ILE MD 7.000 . 7.000 5.257 4.691 5.677 . 0 0 "[ . 1 ]" 3
95 1 78 TYR HA 1 103 ILE MD 7.000 . 7.000 3.726 2.740 4.383 . 0 0 "[ . 1 ]" 3
96 1 120 LEU HA 1 134 SER HA . 2.400 2.600 2.882 2.815 2.982 0.382 3 0 "[ . 1 ]" 3
97 1 120 LEU HA 1 135 ILE H 5.500 . 5.500 3.849 3.601 4.172 . 0 0 "[ . 1 ]" 3
98 1 120 LEU QD 1 134 SER HA 4.500 . 4.500 4.138 3.854 4.529 0.029 10 0 "[ . 1 ]" 3
99 1 121 LEU H 1 133 VAL HB . . 5.000 5.072 4.964 5.252 0.252 1 0 "[ . 1 ]" 3
100 1 121 LEU H 1 133 VAL QG . . 5.000 4.528 4.178 4.750 . 0 0 "[ . 1 ]" 3
101 1 121 LEU H 1 133 VAL H 6.000 . 6.000 4.039 3.910 4.170 . 0 0 "[ . 1 ]" 3
102 1 121 LEU H 1 135 ILE H 5.500 . 5.500 4.253 3.985 4.508 . 0 0 "[ . 1 ]" 3
103 1 121 LEU H 1 134 SER HA 5.500 . 5.500 2.879 2.712 3.022 . 0 0 "[ . 1 ]" 3
104 1 81 SER HA 1 121 LEU H 5.500 . 5.500 5.357 5.232 5.478 . 0 0 "[ . 1 ]" 3
105 1 81 SER HA 1 121 LEU HA . . 2.700 3.242 3.201 3.317 0.617 2 12 [*+********-*] 3
106 1 121 LEU QB 1 133 VAL HB 4.500 . 4.500 3.367 3.013 3.731 . 0 0 "[ . 1 ]" 3
107 1 121 LEU QB 1 133 VAL HA 5.500 . 5.500 4.856 4.619 5.065 . 0 0 "[ . 1 ]" 3
108 1 121 LEU QB 1 135 ILE H 5.500 . 5.500 3.676 3.370 3.925 . 0 0 "[ . 1 ]" 3
109 1 81 SER HA 1 121 LEU QB 5.500 . 5.500 5.067 4.903 5.237 . 0 0 "[ . 1 ]" 3
110 1 121 LEU HG 1 133 VAL HB . . 5.000 2.336 1.886 3.223 . 0 0 "[ . 1 ]" 3
111 1 121 LEU HG 1 133 VAL H 5.500 . 5.500 2.878 2.126 3.792 . 0 0 "[ . 1 ]" 3
112 1 121 LEU HG 1 135 ILE H 6.500 . 6.500 6.022 5.536 6.571 0.071 8 0 "[ . 1 ]" 3
113 1 121 LEU QD 1 133 VAL HB . . 4.500 2.451 1.816 3.285 . 0 0 "[ . 1 ]" 3
114 1 81 SER HA 1 121 LEU QD 5.500 . 5.500 4.074 3.612 4.477 . 0 0 "[ . 1 ]" 3
115 1 121 LEU QD 1 131 LYS QB 7.500 . 7.500 5.711 5.205 6.315 . 0 0 "[ . 1 ]" 3
116 1 121 LEU QD 1 131 LYS QG 7.500 . 7.500 5.398 4.212 6.636 . 0 0 "[ . 1 ]" 3
117 1 81 SER HA 1 122 ILE H 4.500 . 4.500 3.241 3.154 3.380 . 0 0 "[ . 1 ]" 3
118 1 122 ILE HA 1 132 LEU HA . . 2.200 2.468 2.352 2.525 0.325 7 0 "[ . 1 ]" 3
119 1 81 SER HA 1 122 ILE MG 6.500 . 6.500 5.232 5.146 5.315 . 0 0 "[ . 1 ]" 3
120 1 122 ILE MG 1 130 MET HA 7.000 . 7.000 6.415 6.256 6.698 . 0 0 "[ . 1 ]" 3
121 1 122 ILE MG 1 130 MET QG 7.000 . 7.000 3.856 3.708 4.028 . 0 0 "[ . 1 ]" 3
122 1 78 TYR QD 1 122 ILE MG 9.000 . 9.000 6.364 5.876 7.207 . 0 0 "[ . 1 ]" 3
123 1 78 TYR QE 1 122 ILE MG 9.000 . 9.000 5.390 4.246 8.341 . 0 0 "[ . 1 ]" 3
124 1 122 ILE MG 1 131 LYS HA 7.000 . 7.000 5.772 5.686 5.855 . 0 0 "[ . 1 ]" 3
125 1 122 ILE QG 1 124 LYS H 6.500 . 6.500 6.528 6.235 6.706 0.206 3 0 "[ . 1 ]" 3
126 1 122 ILE QG 1 134 SER HA 6.500 . 6.500 6.497 6.270 6.592 0.092 9 0 "[ . 1 ]" 3
127 1 81 SER HA 1 122 ILE QG 6.500 . 6.500 2.702 2.581 2.826 . 0 0 "[ . 1 ]" 3
128 1 80 GLY H 1 122 ILE MD 5.500 . 5.500 4.100 3.194 4.427 . 0 0 "[ . 1 ]" 3
129 1 122 ILE MD 1 124 LYS H 6.500 . 6.500 6.461 5.851 6.571 0.071 5 0 "[ . 1 ]" 3
130 1 123 LEU H 1 133 VAL H 4.200 . 4.200 3.943 3.820 4.075 . 0 0 "[ . 1 ]" 3
131 1 123 LEU H 1 131 LYS H 4.800 . 4.800 4.198 4.169 4.233 . 0 0 "[ . 1 ]" 3
132 1 123 LEU H 1 132 LEU QB 4.500 . 4.500 3.794 2.926 4.150 . 0 0 "[ . 1 ]" 3
133 1 123 LEU H 1 130 MET HA 5.500 . 5.500 5.726 5.688 5.770 0.270 4 0 "[ . 1 ]" 3
134 1 123 LEU H 1 132 LEU HA 4.500 . 4.500 2.551 2.289 2.687 . 0 0 "[ . 1 ]" 3
135 1 123 LEU H 1 131 LYS QB 6.000 . 6.000 4.728 4.544 4.934 . 0 0 "[ . 1 ]" 3
136 1 123 LEU H 1 130 MET QG 6.000 . 6.000 3.973 3.825 4.150 . 0 0 "[ . 1 ]" 3
137 1 123 LEU HG 1 130 MET H 6.000 . 6.000 6.345 6.300 6.378 0.378 12 0 "[ . 1 ]" 3
138 1 123 LEU HG 1 131 LYS H 6.000 . 6.000 2.314 2.239 2.360 . 0 0 "[ . 1 ]" 3
139 1 123 LEU QB 1 133 VAL HB 4.500 . 4.500 4.781 4.649 4.851 0.351 8 0 "[ . 1 ]" 3
140 1 123 LEU HG 1 133 VAL H 6.500 . 6.500 6.495 6.387 6.571 0.071 6 0 "[ . 1 ]" 3
141 1 79 VAL HA 1 124 LYS H 5.000 . 5.000 3.347 3.289 3.452 . 0 0 "[ . 1 ]" 3
142 1 77 ALA HA 1 124 LYS H 5.000 . 5.000 5.166 5.054 5.235 0.235 1 0 "[ . 1 ]" 3
143 1 103 ILE MD 1 124 LYS H 6.500 . 6.500 5.140 4.729 5.450 . 0 0 "[ . 1 ]" 3
144 1 78 TYR QB 1 124 LYS H 6.500 . 6.500 4.767 3.904 5.259 . 0 0 "[ . 1 ]" 3
145 1 78 TYR QD 1 124 LYS H 8.500 . 8.500 4.108 3.026 5.376 . 0 0 "[ . 1 ]" 3
146 1 124 LYS HA 1 130 MET H 5.000 . 5.000 4.907 4.779 4.994 . 0 0 "[ . 1 ]" 3
147 1 124 LYS QB 1 130 MET HA . . 5.000 3.858 3.672 4.013 . 0 0 "[ . 1 ]" 3
148 1 124 LYS H 1 130 MET QB 6.500 . 6.500 4.937 4.637 5.288 . 0 0 "[ . 1 ]" 3
149 1 124 LYS QG 1 130 MET HA . . 5.000 3.820 3.429 4.486 . 0 0 "[ . 1 ]" 3
150 1 124 LYS QD 1 130 MET QB 5.500 . 5.500 4.121 3.792 4.795 . 0 0 "[ . 1 ]" 3
151 1 78 TYR QE 1 124 LYS QD 8.500 . 8.500 2.423 1.771 5.124 . 0 0 "[ . 1 ]" 3
152 1 124 LYS QE 1 130 MET HA 5.500 . 5.500 5.257 4.333 5.550 0.050 2 0 "[ . 1 ]" 3
153 1 78 TYR H 1 125 LEU H 6.000 . 6.000 5.111 5.038 5.148 . 0 0 "[ . 1 ]" 3
154 1 125 LEU H 1 131 LYS H 5.500 . 5.500 3.782 3.709 3.893 . 0 0 "[ . 1 ]" 3
155 1 76 GLY QA 1 125 LEU HA 6.000 . 6.000 5.027 4.867 5.163 . 0 0 "[ . 1 ]" 3
156 1 125 LEU HG 1 131 LYS H . . 5.500 4.127 3.751 4.428 . 0 0 "[ . 1 ]" 3
157 1 78 TYR H 1 125 LEU QD 6.000 . 6.000 4.536 4.190 4.751 . 0 0 "[ . 1 ]" 3
158 1 125 LEU QD 1 132 LEU H 6.000 . 6.000 6.166 6.114 6.201 0.201 12 0 "[ . 1 ]" 3
159 1 77 ALA HA 1 125 LEU QD 6.000 . 6.000 4.060 3.828 4.247 . 0 0 "[ . 1 ]" 3
160 1 76 GLY QA 1 126 GLY H 6.500 . 6.500 3.807 3.580 4.090 . 0 0 "[ . 1 ]" 3
161 1 124 LYS QB 1 130 MET H 5.500 . 5.500 5.641 5.227 5.812 0.312 2 0 "[ . 1 ]" 3
162 1 124 LYS QG 1 130 MET H 6.000 . 6.000 5.437 4.983 6.151 0.151 6 0 "[ . 1 ]" 3
163 1 124 LYS HA 1 130 MET HA . . 2.200 2.216 2.167 2.261 0.061 9 0 "[ . 1 ]" 3
164 1 124 LYS HA 1 130 MET QB 5.000 . 5.000 2.300 1.990 2.635 . 0 0 "[ . 1 ]" 3
165 1 125 LEU H 1 130 MET QB 6.000 . 6.000 2.817 2.660 2.997 . 0 0 "[ . 1 ]" 3
166 1 122 ILE MG 1 130 MET QB 6.000 . 6.000 5.379 5.123 5.756 . 0 0 "[ . 1 ]" 3
167 1 124 LYS HA 1 130 MET QG 6.000 . 6.000 2.836 2.167 3.130 . 0 0 "[ . 1 ]" 3
168 1 124 LYS QB 1 130 MET QG 6.000 . 6.000 3.695 2.895 4.040 . 0 0 "[ . 1 ]" 3
169 1 122 ILE HA 1 131 LYS H 6.000 . 6.000 6.111 6.059 6.154 0.154 3 0 "[ . 1 ]" 3
170 1 123 LEU QD 1 131 LYS H 6.500 . 6.500 2.990 2.770 3.131 . 0 0 "[ . 1 ]" 3
171 1 121 LEU QD 1 131 LYS H 7.500 . 7.500 6.550 6.120 7.298 . 0 0 "[ . 1 ]" 3
172 1 123 LEU QD 1 131 LYS QE 6.500 . 6.500 2.997 1.837 4.083 . 0 0 "[ . 1 ]" 3
173 1 38 ALA HA 1 132 LEU H 5.500 . 5.500 5.294 5.024 5.412 . 0 0 "[ . 1 ]" 3
174 1 39 ARG QB 1 132 LEU H 6.500 . 6.500 4.198 2.855 5.128 . 0 0 "[ . 1 ]" 3
175 1 40 VAL H 1 132 LEU QB 5.500 . 5.500 4.545 4.055 5.160 . 0 0 "[ . 1 ]" 3
176 1 39 ARG HA 1 132 LEU QB 5.500 . 5.500 3.255 2.758 4.329 . 0 0 "[ . 1 ]" 3
177 1 122 ILE HA 1 132 LEU HG 5.000 . 5.000 3.569 2.211 5.267 0.267 1 0 "[ . 1 ]" 3
178 1 40 VAL H 1 132 LEU HG 6.500 . 6.500 5.427 3.996 6.560 0.060 7 0 "[ . 1 ]" 3
179 1 41 THR HB 1 132 LEU QD 7.500 . 7.500 7.329 6.372 7.639 0.139 8 0 "[ . 1 ]" 3
180 1 122 ILE H 1 133 VAL H 5.200 . 5.200 4.780 4.677 4.842 . 0 0 "[ . 1 ]" 3
181 1 120 LEU HA 1 133 VAL H 6.500 . 6.500 5.829 5.668 6.009 . 0 0 "[ . 1 ]" 3
182 1 121 LEU HA 1 133 VAL H 5.000 . 5.000 5.135 5.071 5.214 0.214 4 0 "[ . 1 ]" 3
183 1 121 LEU QB 1 133 VAL H 6.500 . 6.500 3.791 3.369 4.037 . 0 0 "[ . 1 ]" 3
184 1 121 LEU QB 1 133 VAL QG 5.200 . 5.200 3.007 2.435 3.440 . 0 0 "[ . 1 ]" 3
185 1 123 LEU H 1 133 VAL QG 5.000 . 5.000 4.970 4.639 5.140 0.140 2 0 "[ . 1 ]" 3
186 1 40 VAL HB 1 134 SER H 5.500 . 5.500 5.497 5.324 5.699 0.199 11 0 "[ . 1 ]" 3
187 1 120 LEU HA 1 134 SER H 6.000 . 6.000 5.605 5.509 5.802 . 0 0 "[ . 1 ]" 3
188 1 121 LEU QD 1 134 SER HA 6.000 . 6.000 4.562 4.060 4.971 . 0 0 "[ . 1 ]" 3
189 1 42 LEU QD 1 135 ILE H 6.000 . 6.000 5.225 4.583 5.618 . 0 0 "[ . 1 ]" 3
190 1 135 ILE HB 1 136 VAL QG 5.000 . 5.000 4.353 4.130 4.639 . 0 0 "[ . 1 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 159
_Distance_constraint_stats_list.Viol_count 1756
_Distance_constraint_stats_list.Viol_total 2752.499
_Distance_constraint_stats_list.Viol_max 0.921
_Distance_constraint_stats_list.Viol_rms 0.1207
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1202
_Distance_constraint_stats_list.Viol_average_violations_only 0.1306
_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 38 ALA 9.260 0.342 4 0 "[ . 1 ]"
1 40 VAL 4.920 0.208 1 0 "[ . 1 ]"
1 43 PRO 0.826 0.137 2 0 "[ . 1 ]"
1 52 PHE 1.376 0.115 8 0 "[ . 1 ]"
1 53 SER 2.677 0.135 7 0 "[ . 1 ]"
1 54 LYS 6.827 0.334 7 0 "[ . 1 ]"
1 55 VAL 8.732 0.329 6 0 "[ . 1 ]"
1 56 LEU 1.376 0.115 8 0 "[ . 1 ]"
1 57 TRP 2.677 0.135 7 0 "[ . 1 ]"
1 58 SER 6.827 0.334 7 0 "[ . 1 ]"
1 59 ALA 8.732 0.329 6 0 "[ . 1 ]"
1 66 SER 7.071 0.279 7 0 "[ . 1 ]"
1 67 GLU 2.407 0.134 11 0 "[ . 1 ]"
1 68 GLY 8.075 0.212 5 0 "[ . 1 ]"
1 70 ARG 7.071 0.279 7 0 "[ . 1 ]"
1 71 ILE 2.407 0.134 11 0 "[ . 1 ]"
1 72 ILE 8.075 0.212 5 0 "[ . 1 ]"
1 78 TYR 10.767 0.422 4 0 "[ . 1 ]"
1 79 VAL 19.919 0.485 8 0 "[ . 1 ]"
1 80 GLY 14.647 0.638 8 12 [****-**+****]
1 81 SER 14.621 0.921 9 12 [**-*****+***]
1 82 ARG 14.007 0.269 9 0 "[ . 1 ]"
1 98 LEU 14.621 0.921 9 12 [**-*****+***]
1 99 THR 6.977 0.638 8 12 [****-**+****]
1 100 PHE 19.919 0.485 8 0 "[ . 1 ]"
1 101 THR 3.462 0.422 4 0 "[ . 1 ]"
1 108 ALA 2.031 0.112 1 0 "[ . 1 ]"
1 109 SER 4.117 0.218 10 0 "[ . 1 ]"
1 110 LYS 2.852 0.149 9 0 "[ . 1 ]"
1 112 GLN 2.031 0.112 1 0 "[ . 1 ]"
1 113 GLU 4.117 0.218 10 0 "[ . 1 ]"
1 114 PHE 2.852 0.149 9 0 "[ . 1 ]"
1 120 LEU 14.007 0.269 9 0 "[ . 1 ]"
1 121 LEU 12.996 0.323 1 0 "[ . 1 ]"
1 122 ILE 7.670 0.144 3 0 "[ . 1 ]"
1 123 LEU 10.219 0.254 7 0 "[ . 1 ]"
1 124 LYS 7.305 0.208 4 0 "[ . 1 ]"
1 125 LEU 21.591 0.446 6 0 "[ . 1 ]"
1 129 LYS 21.591 0.446 6 0 "[ . 1 ]"
1 130 MET 6.676 0.342 4 0 "[ . 1 ]"
1 131 LYS 10.219 0.254 7 0 "[ . 1 ]"
1 132 LEU 5.179 0.188 5 0 "[ . 1 ]"
1 133 VAL 12.996 0.323 1 0 "[ . 1 ]"
1 134 SER 2.324 0.208 1 0 "[ . 1 ]"
1 136 VAL 0.826 0.137 2 0 "[ . 1 ]"
1 137 SER 1.308 0.082 4 0 "[ . 1 ]"
1 138 ASP 3.791 0.176 9 0 "[ . 1 ]"
1 139 GLU 1.331 0.110 8 0 "[ . 1 ]"
1 140 LYS 3.805 0.148 2 0 "[ . 1 ]"
1 141 PHE 6.311 0.201 2 0 "[ . 1 ]"
1 142 LYS 3.791 0.176 9 0 "[ . 1 ]"
1 143 GLU 1.331 0.110 8 0 "[ . 1 ]"
1 144 LEU 3.805 0.148 2 0 "[ . 1 ]"
1 145 GLY 5.003 0.201 2 0 "[ . 1 ]"
1 150 GLY 2.263 0.121 1 0 "[ . 1 ]"
1 151 TRP 7.637 0.372 5 0 "[ . 1 ]"
1 152 ASP 11.433 0.425 4 0 "[ . 1 ]"
1 153 GLU 12.865 0.470 7 0 "[ . 1 ]"
1 154 VAL 2.263 0.121 1 0 "[ . 1 ]"
1 155 VAL 7.637 0.372 5 0 "[ . 1 ]"
1 156 GLY 11.433 0.425 4 0 "[ . 1 ]"
1 157 LYS 12.865 0.470 7 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 38 ALA H 1 130 MET O 3.150 3.130 3.170 3.015 2.910 3.167 0.220 8 0 "[ . 1 ]" 4
2 1 38 ALA N 1 130 MET C 4.850 4.830 4.870 5.019 4.894 5.099 0.229 4 0 "[ . 1 ]" 4
3 1 38 ALA N 1 130 MET O 3.540 3.520 3.560 3.825 3.699 3.902 0.342 4 0 "[ . 1 ]" 4
4 1 38 ALA H 1 130 MET C 4.180 4.160 4.200 4.188 4.122 4.300 0.100 5 0 "[ . 1 ]" 4
5 1 38 ALA O 1 132 LEU H 2.150 2.130 2.170 2.176 2.114 2.234 0.064 5 0 "[ . 1 ]" 4
6 1 38 ALA C 1 132 LEU N 4.350 4.330 4.370 4.239 4.142 4.301 0.188 5 0 "[ . 1 ]" 4
7 1 38 ALA O 1 132 LEU N 3.140 3.120 3.160 3.104 3.051 3.160 0.069 11 0 "[ . 1 ]" 4
8 1 38 ALA C 1 132 LEU H 3.380 3.360 3.400 3.276 3.193 3.326 0.167 5 0 "[ . 1 ]" 4
9 1 40 VAL H 1 132 LEU O 2.150 2.130 2.170 2.171 2.081 2.283 0.113 1 0 "[ . 1 ]" 4
10 1 40 VAL N 1 132 LEU C 4.350 4.330 4.370 4.248 4.212 4.295 0.118 10 0 "[ . 1 ]" 4
11 1 40 VAL N 1 132 LEU O 3.140 3.120 3.160 3.064 3.015 3.106 0.105 10 0 "[ . 1 ]" 4
12 1 40 VAL H 1 132 LEU C 3.380 3.360 3.400 3.318 3.258 3.400 0.102 10 0 "[ . 1 ]" 4
13 1 40 VAL O 1 134 SER H 2.150 2.130 2.170 2.294 2.199 2.378 0.208 1 0 "[ . 1 ]" 4
14 1 40 VAL C 1 134 SER N 4.350 4.330 4.370 4.347 4.285 4.405 0.045 1 0 "[ . 1 ]" 4
15 1 40 VAL O 1 134 SER N 3.140 3.120 3.160 3.195 3.148 3.230 0.070 3 0 "[ . 1 ]" 4
16 1 40 VAL C 1 134 SER H 3.380 3.360 3.400 3.400 3.347 3.457 0.057 3 0 "[ . 1 ]" 4
17 1 43 PRO HA 1 136 VAL H 3.900 3.800 4.000 3.738 3.663 3.883 0.137 2 0 "[ . 1 ]" 4
18 1 79 VAL O 1 100 PHE H 3.150 3.130 3.170 3.621 3.599 3.655 0.485 8 0 "[ . 1 ]" 4
19 1 79 VAL C 1 100 PHE N 4.350 4.330 4.370 4.179 4.157 4.209 0.173 11 0 "[ . 1 ]" 4
20 1 79 VAL O 1 100 PHE N 3.140 3.120 3.160 3.006 2.982 3.080 0.138 12 0 "[ . 1 ]" 4
21 1 79 VAL C 1 100 PHE H 4.380 4.360 4.400 4.809 4.775 4.837 0.437 8 0 "[ . 1 ]" 4
22 1 79 VAL H 1 100 PHE O 4.150 4.130 4.170 4.455 4.329 4.502 0.332 8 0 "[ . 1 ]" 4
23 1 79 VAL N 1 100 PHE C 4.350 4.330 4.370 4.346 4.311 4.389 0.019 8 0 "[ . 1 ]" 4
24 1 79 VAL N 1 100 PHE O 5.140 5.120 5.160 5.296 5.168 5.351 0.191 12 0 "[ . 1 ]" 4
25 1 79 VAL H 1 100 PHE C 3.380 3.360 3.400 3.508 3.435 3.571 0.171 9 0 "[ . 1 ]" 4
26 1 81 SER O 1 98 LEU H 4.150 4.130 4.170 4.029 3.899 4.218 0.231 3 0 "[ . 1 ]" 4
27 1 81 SER C 1 98 LEU N 4.350 4.330 4.370 4.394 4.296 4.430 0.060 9 0 "[ . 1 ]" 4
28 1 81 SER O 1 98 LEU N 3.140 3.120 3.160 3.218 3.141 3.304 0.144 9 0 "[ . 1 ]" 4
29 1 81 SER C 1 98 LEU H 4.380 4.360 4.400 5.174 4.996 5.321 0.921 9 12 [**-*****+***] 4
30 1 81 SER H 1 98 LEU O 4.150 4.130 4.170 4.324 4.261 4.359 0.189 8 0 "[ . 1 ]" 4
31 1 81 SER N 1 98 LEU C 4.350 4.330 4.370 4.331 4.291 4.367 0.039 3 0 "[ . 1 ]" 4
32 1 81 SER N 1 98 LEU O 5.140 5.120 5.160 5.221 5.152 5.259 0.099 8 0 "[ . 1 ]" 4
33 1 81 SER H 1 98 LEU C 3.380 3.360 3.400 3.412 3.367 3.455 0.055 8 0 "[ . 1 ]" 4
34 1 78 TYR HA 1 101 THR HA 4.500 4.400 4.600 4.887 4.586 5.022 0.422 4 0 "[ . 1 ]" 4
35 1 80 GLY QA 1 99 THR HA 3.100 3.000 3.200 3.781 3.718 3.838 0.638 8 12 [****-**+****] 4
36 1 78 TYR O 1 124 LYS H 2.150 2.130 2.170 2.242 2.169 2.288 0.118 8 0 "[ . 1 ]" 4
37 1 78 TYR C 1 124 LYS N 4.350 4.330 4.370 4.390 4.289 4.436 0.066 6 0 "[ . 1 ]" 4
38 1 78 TYR O 1 124 LYS N 3.140 3.120 3.160 3.186 3.106 3.255 0.095 8 0 "[ . 1 ]" 4
39 1 78 TYR C 1 124 LYS H 3.380 3.360 3.400 3.464 3.383 3.497 0.097 9 0 "[ . 1 ]" 4
40 1 78 TYR H 1 124 LYS O 2.150 2.130 2.170 2.096 2.045 2.156 0.085 1 0 "[ . 1 ]" 4
41 1 78 TYR N 1 124 LYS C 4.350 4.330 4.370 4.187 4.122 4.204 0.208 4 0 "[ . 1 ]" 4
42 1 78 TYR N 1 124 LYS O 3.140 3.120 3.160 3.025 3.005 3.051 0.115 1 0 "[ . 1 ]" 4
43 1 78 TYR H 1 124 LYS C 3.380 3.360 3.400 3.232 3.163 3.264 0.197 4 0 "[ . 1 ]" 4
44 1 80 GLY O 1 122 ILE H 2.150 2.130 2.170 2.285 2.271 2.305 0.135 9 0 "[ . 1 ]" 4
45 1 80 GLY C 1 122 ILE N 4.350 4.330 4.370 4.247 4.197 4.284 0.133 3 0 "[ . 1 ]" 4
46 1 80 GLY O 1 122 ILE N 3.140 3.120 3.160 3.074 3.014 3.127 0.106 3 0 "[ . 1 ]" 4
47 1 80 GLY C 1 122 ILE H 3.380 3.360 3.400 3.495 3.479 3.530 0.130 2 0 "[ . 1 ]" 4
48 1 80 GLY H 1 122 ILE O 2.150 2.130 2.170 2.258 2.231 2.290 0.120 4 0 "[ . 1 ]" 4
49 1 80 GLY N 1 122 ILE C 4.350 4.330 4.370 4.234 4.186 4.255 0.144 3 0 "[ . 1 ]" 4
50 1 80 GLY N 1 122 ILE O 3.140 3.120 3.160 3.200 3.177 3.241 0.081 4 0 "[ . 1 ]" 4
51 1 80 GLY H 1 122 ILE C 3.380 3.360 3.400 3.285 3.235 3.305 0.125 3 0 "[ . 1 ]" 4
52 1 82 ARG O 1 120 LEU H 4.150 4.130 4.170 4.050 3.915 4.145 0.215 4 0 "[ . 1 ]" 4
53 1 82 ARG C 1 120 LEU N 4.350 4.330 4.370 4.588 4.548 4.639 0.269 9 0 "[ . 1 ]" 4
54 1 82 ARG O 1 120 LEU N 4.140 4.120 4.160 4.113 3.981 4.186 0.139 3 0 "[ . 1 ]" 4
55 1 82 ARG C 1 120 LEU H 4.380 4.360 4.400 4.274 4.213 4.328 0.147 2 0 "[ . 1 ]" 4
56 1 82 ARG H 1 120 LEU O 3.150 3.130 3.170 2.964 2.923 2.999 0.207 4 0 "[ . 1 ]" 4
57 1 82 ARG N 1 120 LEU C 4.350 4.330 4.370 4.556 4.515 4.609 0.239 2 0 "[ . 1 ]" 4
58 1 82 ARG N 1 120 LEU O 4.140 4.120 4.160 3.911 3.877 3.967 0.243 9 0 "[ . 1 ]" 4
59 1 82 ARG H 1 120 LEU C 3.380 3.360 3.400 3.588 3.541 3.643 0.243 8 0 "[ . 1 ]" 4
60 1 125 LEU O 1 129 LYS H 3.150 3.130 3.170 3.531 3.518 3.545 0.375 1 0 "[ . 1 ]" 4
61 1 125 LEU C 1 129 LYS N 4.350 4.330 4.370 4.521 4.501 4.538 0.168 12 0 "[ . 1 ]" 4
62 1 125 LEU O 1 129 LYS N 3.140 3.120 3.160 3.565 3.500 3.606 0.446 6 0 "[ . 1 ]" 4
63 1 125 LEU C 1 129 LYS H 4.380 4.360 4.400 4.268 4.231 4.311 0.129 6 0 "[ . 1 ]" 4
64 1 125 LEU H 1 129 LYS O 2.150 2.130 2.170 2.417 2.365 2.496 0.326 4 0 "[ . 1 ]" 4
65 1 125 LEU N 1 129 LYS C 4.350 4.330 4.370 4.008 3.968 4.041 0.362 4 0 "[ . 1 ]" 4
66 1 125 LEU N 1 129 LYS O 3.140 3.120 3.160 3.124 3.091 3.187 0.029 6 0 "[ . 1 ]" 4
67 1 125 LEU H 1 129 LYS C 3.380 3.360 3.400 3.150 3.125 3.177 0.235 8 0 "[ . 1 ]" 4
68 1 123 LEU O 1 131 LYS H 2.150 2.130 2.170 2.290 2.256 2.333 0.163 8 0 "[ . 1 ]" 4
69 1 123 LEU C 1 131 LYS N 4.350 4.330 4.370 4.114 4.076 4.159 0.254 7 0 "[ . 1 ]" 4
70 1 123 LEU O 1 131 LYS N 3.140 3.120 3.160 2.998 2.961 3.029 0.159 7 0 "[ . 1 ]" 4
71 1 123 LEU C 1 131 LYS H 3.380 3.360 3.400 3.288 3.251 3.309 0.109 7 0 "[ . 1 ]" 4
72 1 123 LEU H 1 131 LYS O 2.150 2.130 2.170 2.239 2.199 2.286 0.116 1 0 "[ . 1 ]" 4
73 1 123 LEU N 1 131 LYS C 4.350 4.330 4.370 4.198 4.120 4.229 0.210 1 0 "[ . 1 ]" 4
74 1 123 LEU N 1 131 LYS O 3.140 3.120 3.160 3.022 3.005 3.047 0.115 7 0 "[ . 1 ]" 4
75 1 123 LEU H 1 131 LYS C 3.380 3.360 3.400 3.337 3.271 3.358 0.089 1 0 "[ . 1 ]" 4
76 1 121 LEU O 1 133 VAL H 2.150 2.130 2.170 2.188 2.129 2.251 0.081 1 0 "[ . 1 ]" 4
77 1 121 LEU C 1 133 VAL N 4.350 4.330 4.370 4.098 4.007 4.131 0.323 1 0 "[ . 1 ]" 4
78 1 121 LEU O 1 133 VAL N 3.140 3.120 3.160 3.030 2.964 3.067 0.156 1 0 "[ . 1 ]" 4
79 1 121 LEU C 1 133 VAL H 3.380 3.360 3.400 3.193 3.168 3.216 0.192 1 0 "[ . 1 ]" 4
80 1 121 LEU H 1 133 VAL O 2.150 2.130 2.170 2.338 2.270 2.404 0.234 10 0 "[ . 1 ]" 4
81 1 121 LEU N 1 133 VAL C 4.350 4.330 4.370 4.137 4.070 4.213 0.260 1 0 "[ . 1 ]" 4
82 1 121 LEU N 1 133 VAL O 3.140 3.120 3.160 2.947 2.912 3.003 0.208 12 0 "[ . 1 ]" 4
83 1 121 LEU H 1 133 VAL C 3.380 3.360 3.400 3.436 3.388 3.499 0.099 3 0 "[ . 1 ]" 4
84 1 52 PHE O 1 56 LEU H 2.150 2.130 2.170 2.149 2.089 2.208 0.041 1 0 "[ . 1 ]" 4
85 1 52 PHE C 1 56 LEU N 4.350 4.330 4.370 4.306 4.215 4.370 0.115 8 0 "[ . 1 ]" 4
86 1 52 PHE O 1 56 LEU N 3.140 3.120 3.160 3.114 3.028 3.182 0.092 8 0 "[ . 1 ]" 4
87 1 52 PHE C 1 56 LEU H 3.380 3.360 3.400 3.337 3.267 3.396 0.093 8 0 "[ . 1 ]" 4
88 1 53 SER O 1 57 TRP H 2.150 2.130 2.170 2.261 2.230 2.305 0.135 7 0 "[ . 1 ]" 4
89 1 53 SER C 1 57 TRP N 4.350 4.330 4.370 4.401 4.343 4.431 0.061 8 0 "[ . 1 ]" 4
90 1 53 SER O 1 57 TRP N 3.140 3.120 3.160 3.173 3.115 3.204 0.044 8 0 "[ . 1 ]" 4
91 1 53 SER C 1 57 TRP H 3.380 3.360 3.400 3.480 3.444 3.519 0.119 7 0 "[ . 1 ]" 4
92 1 54 LYS O 1 58 SER H 2.150 2.130 2.170 2.374 2.316 2.440 0.270 6 0 "[ . 1 ]" 4
93 1 54 LYS C 1 58 SER N 4.350 4.330 4.370 4.107 3.996 4.192 0.334 7 0 "[ . 1 ]" 4
94 1 54 LYS O 1 58 SER N 3.140 3.120 3.160 3.043 2.976 3.101 0.144 7 0 "[ . 1 ]" 4
95 1 54 LYS C 1 58 SER H 3.380 3.360 3.400 3.295 3.252 3.342 0.108 5 0 "[ . 1 ]" 4
96 1 55 VAL O 1 59 ALA H 2.150 2.130 2.170 2.366 2.183 2.499 0.329 6 0 "[ . 1 ]" 4
97 1 55 VAL C 1 59 ALA N 4.350 4.330 4.370 4.045 4.001 4.067 0.329 6 0 "[ . 1 ]" 4
98 1 55 VAL O 1 59 ALA N 3.140 3.120 3.160 3.128 3.015 3.200 0.105 8 0 "[ . 1 ]" 4
99 1 55 VAL C 1 59 ALA H 3.380 3.360 3.400 3.141 3.106 3.162 0.254 7 0 "[ . 1 ]" 4
100 1 66 SER O 1 70 ARG H 2.150 2.130 2.170 2.410 2.372 2.449 0.279 7 0 "[ . 1 ]" 4
101 1 66 SER C 1 70 ARG N 4.350 4.330 4.370 4.450 4.382 4.476 0.106 4 0 "[ . 1 ]" 4
102 1 66 SER O 1 70 ARG N 3.140 3.120 3.160 3.350 3.313 3.382 0.222 7 0 "[ . 1 ]" 4
103 1 66 SER C 1 70 ARG H 3.380 3.360 3.400 3.479 3.418 3.504 0.104 4 0 "[ . 1 ]" 4
104 1 67 GLU O 1 71 ILE H 2.150 2.130 2.170 2.142 2.085 2.194 0.045 9 0 "[ . 1 ]" 4
105 1 67 GLU C 1 71 ILE N 4.350 4.330 4.370 4.221 4.196 4.276 0.134 11 0 "[ . 1 ]" 4
106 1 67 GLU O 1 71 ILE N 3.140 2.120 3.160 3.048 3.005 3.117 . 0 0 "[ . 1 ]" 4
107 1 67 GLU C 1 71 ILE H 3.380 3.360 3.400 3.277 3.250 3.333 0.110 9 0 "[ . 1 ]" 4
108 1 68 GLY O 1 72 ILE H 2.150 2.130 2.170 1.995 1.968 2.022 0.162 4 0 "[ . 1 ]" 4
109 1 68 GLY C 1 72 ILE N 4.350 4.330 4.370 4.141 4.118 4.170 0.212 5 0 "[ . 1 ]" 4
110 1 68 GLY O 1 72 ILE N 3.140 3.120 3.160 2.950 2.922 2.978 0.198 4 0 "[ . 1 ]" 4
111 1 68 GLY C 1 72 ILE H 3.380 3.360 3.400 3.182 3.154 3.212 0.206 5 0 "[ . 1 ]" 4
112 1 108 ALA O 1 112 GLN H 2.150 2.130 2.170 2.214 2.147 2.282 0.112 1 0 "[ . 1 ]" 4
113 1 108 ALA C 1 112 GLN N 4.350 4.330 4.370 4.263 4.228 4.326 0.102 6 0 "[ . 1 ]" 4
114 1 108 ALA O 1 112 GLN N 3.140 3.120 3.160 3.091 3.051 3.156 0.069 12 0 "[ . 1 ]" 4
115 1 108 ALA C 1 112 GLN H 3.380 3.360 3.400 3.353 3.314 3.410 0.046 8 0 "[ . 1 ]" 4
116 1 109 SER O 1 113 GLU H 2.150 2.130 2.170 2.371 2.323 2.388 0.218 10 0 "[ . 1 ]" 4
117 1 109 SER C 1 113 GLU N 4.350 4.330 4.370 4.302 4.252 4.327 0.078 8 0 "[ . 1 ]" 4
118 1 109 SER O 1 113 GLU N 3.140 3.120 3.160 3.260 3.213 3.280 0.120 5 0 "[ . 1 ]" 4
119 1 109 SER C 1 113 GLU H 3.380 3.360 3.400 3.347 3.296 3.369 0.064 8 0 "[ . 1 ]" 4
120 1 110 LYS O 1 114 PHE H 2.150 2.130 2.170 2.094 2.031 2.128 0.099 9 0 "[ . 1 ]" 4
121 1 110 LYS C 1 114 PHE N 4.350 4.330 4.370 4.254 4.185 4.290 0.145 9 0 "[ . 1 ]" 4
122 1 110 LYS O 1 114 PHE N 3.140 3.120 3.160 3.054 2.971 3.086 0.149 9 0 "[ . 1 ]" 4
123 1 110 LYS C 1 114 PHE H 3.380 3.360 3.400 3.300 3.248 3.348 0.112 9 0 "[ . 1 ]" 4
124 1 137 SER O 1 141 PHE H 2.150 2.130 2.170 2.141 2.078 2.186 0.052 4 0 "[ . 1 ]" 4
125 1 137 SER C 1 141 PHE N 4.350 4.330 4.370 4.292 4.248 4.312 0.082 4 0 "[ . 1 ]" 4
126 1 137 SER O 1 141 PHE N 3.140 3.120 3.160 3.101 3.041 3.143 0.079 4 0 "[ . 1 ]" 4
127 1 137 SER C 1 141 PHE H 3.380 3.360 3.400 3.322 3.283 3.361 0.077 4 0 "[ . 1 ]" 4
128 1 138 ASP O 1 142 LYS H 2.150 2.130 2.170 2.132 2.086 2.157 0.044 3 0 "[ . 1 ]" 4
129 1 138 ASP C 1 142 LYS N 4.350 4.330 4.370 4.204 4.154 4.243 0.176 9 0 "[ . 1 ]" 4
130 1 138 ASP O 1 142 LYS N 3.140 3.120 3.160 3.047 3.029 3.059 0.091 9 0 "[ . 1 ]" 4
131 1 138 ASP C 1 142 LYS H 3.380 3.360 3.400 3.251 3.191 3.280 0.169 9 0 "[ . 1 ]" 4
132 1 139 GLU O 1 143 GLU H 2.150 2.130 2.170 2.252 2.232 2.280 0.110 8 0 "[ . 1 ]" 4
133 1 139 GLU C 1 143 GLU N 4.350 4.330 4.370 4.343 4.285 4.373 0.045 3 0 "[ . 1 ]" 4
134 1 139 GLU O 1 143 GLU N 3.140 3.120 3.160 3.178 3.155 3.217 0.057 5 0 "[ . 1 ]" 4
135 1 139 GLU C 1 143 GLU H 3.380 3.360 3.400 3.388 3.315 3.425 0.045 3 0 "[ . 1 ]" 4
136 1 140 LYS O 1 144 LEU H 2.150 2.130 2.170 2.294 2.253 2.318 0.148 2 0 "[ . 1 ]" 4
137 1 140 LYS C 1 144 LEU N 4.350 4.330 4.370 4.421 4.372 4.439 0.069 3 0 "[ . 1 ]" 4
138 1 140 LYS O 1 144 LEU N 3.140 3.120 3.160 3.224 3.179 3.246 0.086 10 0 "[ . 1 ]" 4
139 1 140 LYS C 1 144 LEU H 3.380 3.360 3.400 3.478 3.417 3.509 0.109 3 0 "[ . 1 ]" 4
140 1 141 PHE O 1 145 GLY H 2.150 2.130 2.170 2.085 2.073 2.093 0.057 9 0 "[ . 1 ]" 4
141 1 141 PHE C 1 145 GLY N 4.350 4.330 4.370 4.185 4.142 4.250 0.188 2 0 "[ . 1 ]" 4
142 1 141 PHE O 1 145 GLY N 3.140 3.120 3.160 2.966 2.919 3.040 0.201 2 0 "[ . 1 ]" 4
143 1 141 PHE C 1 145 GLY H 3.380 3.360 3.400 3.288 3.281 3.301 0.079 7 0 "[ . 1 ]" 4
144 1 150 GLY O 1 154 VAL H 2.150 2.130 2.170 2.184 2.115 2.238 0.068 9 0 "[ . 1 ]" 4
145 1 150 GLY C 1 154 VAL N 4.350 4.330 4.370 4.237 4.209 4.289 0.121 1 0 "[ . 1 ]" 4
146 1 150 GLY O 1 154 VAL N 3.140 3.120 3.160 3.110 3.068 3.166 0.052 10 0 "[ . 1 ]" 4
147 1 150 GLY C 1 154 VAL H 3.380 3.360 3.400 3.303 3.282 3.336 0.078 1 0 "[ . 1 ]" 4
148 1 151 TRP O 1 155 VAL H 2.150 2.130 2.170 2.253 2.227 2.315 0.145 5 0 "[ . 1 ]" 4
149 1 151 TRP C 1 155 VAL N 4.350 4.330 4.370 4.060 3.958 4.120 0.372 5 0 "[ . 1 ]" 4
150 1 151 TRP O 1 155 VAL N 3.140 3.120 3.160 2.940 2.856 2.984 0.264 5 0 "[ . 1 ]" 4
151 1 151 TRP C 1 155 VAL H 3.380 3.360 3.400 3.256 3.189 3.289 0.171 9 0 "[ . 1 ]" 4
152 1 152 ASP O 1 156 GLY H 2.150 2.130 2.170 2.566 2.544 2.595 0.425 4 0 "[ . 1 ]" 4
153 1 152 ASP C 1 156 GLY N 4.350 4.330 4.370 3.957 3.932 3.981 0.398 4 0 "[ . 1 ]" 4
154 1 152 ASP O 1 156 GLY N 3.140 3.120 3.160 3.026 2.972 3.080 0.148 2 0 "[ . 1 ]" 4
155 1 152 ASP C 1 156 GLY H 3.380 3.360 3.400 3.271 3.204 3.311 0.156 5 0 "[ . 1 ]" 4
156 1 153 GLU O 1 157 LYS H 2.150 2.130 2.170 2.567 2.529 2.600 0.430 3 0 "[ . 1 ]" 4
157 1 153 GLU C 1 157 LYS N 4.350 4.330 4.370 3.905 3.860 3.959 0.470 7 0 "[ . 1 ]" 4
158 1 153 GLU O 1 157 LYS N 3.140 3.120 3.160 3.101 3.065 3.164 0.055 10 0 "[ . 1 ]" 4
159 1 153 GLU C 1 157 LYS H 3.380 3.360 3.400 3.134 3.112 3.150 0.248 7 0 "[ . 1 ]" 4
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