NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
373900 |
1e0z   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e0z
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 830
_Distance_constraint_stats_list.Viol_count 922
_Distance_constraint_stats_list.Viol_total 937.421
_Distance_constraint_stats_list.Viol_max 0.988
_Distance_constraint_stats_list.Viol_rms 0.0283
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0508
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.063 0.023 20 0 "[ . 1 . 2]"
1 2 THR 0.116 0.023 20 0 "[ . 1 . 2]"
1 3 VAL 0.161 0.063 13 0 "[ . 1 . 2]"
1 4 GLU 0.035 0.019 4 0 "[ . 1 . 2]"
1 5 TYR 3.436 0.312 6 0 "[ . 1 . 2]"
1 6 LEU 0.505 0.095 18 0 "[ . 1 . 2]"
1 7 ASN 4.422 0.988 4 2 "[ +. 1 - . 2]"
1 8 TYR 0.438 0.081 17 0 "[ . 1 . 2]"
1 9 GLU 3.580 0.782 19 1 "[ . 1 . +2]"
1 10 THR 3.701 0.988 4 3 "[ +. -1 * . 2]"
1 11 LEU 0.160 0.020 12 0 "[ . 1 . 2]"
1 12 ASP 0.107 0.019 4 0 "[ . 1 . 2]"
1 13 ASP 1.381 0.552 9 1 "[ . +1 . 2]"
1 14 GLN 0.028 0.012 12 0 "[ . 1 . 2]"
1 15 GLY 0.030 0.010 18 0 "[ . 1 . 2]"
1 16 TRP 0.258 0.062 10 0 "[ . 1 . 2]"
1 17 ASP 0.228 0.062 10 0 "[ . 1 . 2]"
1 18 MET 0.045 0.016 12 0 "[ . 1 . 2]"
1 19 ASP 0.041 0.016 10 0 "[ . 1 . 2]"
1 20 ASP 0.051 0.023 10 0 "[ . 1 . 2]"
1 21 ASP 0.823 0.163 14 0 "[ . 1 . 2]"
1 22 ASP 0.716 0.094 14 0 "[ . 1 . 2]"
1 23 LEU 1.370 0.163 14 0 "[ . 1 . 2]"
1 24 PHE 1.872 0.133 11 0 "[ . 1 . 2]"
1 25 GLU 1.227 0.133 11 0 "[ . 1 . 2]"
1 26 LYS 0.221 0.035 4 0 "[ . 1 . 2]"
1 27 ALA 0.330 0.035 4 0 "[ . 1 . 2]"
1 28 ALA 0.227 0.030 19 0 "[ . 1 . 2]"
1 29 ASP 0.155 0.035 18 0 "[ . 1 . 2]"
1 30 ALA 0.586 0.072 2 0 "[ . 1 . 2]"
1 31 GLY 0.533 0.072 2 0 "[ . 1 . 2]"
1 32 LEU 0.057 0.029 9 0 "[ . 1 . 2]"
1 33 ASP 0.010 0.010 10 0 "[ . 1 . 2]"
1 34 GLY 0.429 0.060 16 0 "[ . 1 . 2]"
1 35 GLU 0.335 0.060 16 0 "[ . 1 . 2]"
1 36 ASP 3.096 0.838 4 2 "[ +. 1 - . 2]"
1 37 TYR 0.238 0.035 9 0 "[ . 1 . 2]"
1 38 GLY 2.574 0.312 6 0 "[ . 1 . 2]"
1 39 THR 0.095 0.021 17 0 "[ . 1 . 2]"
1 40 MET 2.187 0.603 13 1 "[ . 1 + . 2]"
1 41 GLU 0.002 0.002 1 0 "[ . 1 . 2]"
1 42 VAL 0.066 0.025 13 0 "[ . 1 . 2]"
1 43 ALA 0.045 0.019 3 0 "[ . 1 . 2]"
1 44 GLU 0.395 0.054 11 0 "[ . 1 . 2]"
1 45 GLY 0.045 0.019 3 0 "[ . 1 . 2]"
1 46 GLU 0.982 0.471 5 0 "[ . 1 . 2]"
1 47 TYR 2.581 0.726 11 2 "[ . 1+ . - 2]"
1 48 ILE 1.455 0.561 18 1 "[ . 1 . + 2]"
1 49 LEU 0.186 0.034 6 0 "[ . 1 . 2]"
1 50 GLU 0.025 0.015 8 0 "[ . 1 . 2]"
1 51 ALA 1.140 0.064 20 0 "[ . 1 . 2]"
1 52 ALA 3.815 0.603 13 1 "[ . 1 + . 2]"
1 53 GLU 1.086 0.061 15 0 "[ . 1 . 2]"
1 54 ALA 0.548 0.060 20 0 "[ . 1 . 2]"
1 55 GLN 0.121 0.022 7 0 "[ . 1 . 2]"
1 56 GLY 0.035 0.023 20 0 "[ . 1 . 2]"
1 57 TYR 1.338 0.108 15 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TRP 1.719 0.180 15 0 "[ . 1 . 2]"
1 60 PRO 0.014 0.014 10 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 1.626 0.118 13 0 "[ . 1 . 2]"
1 74 ILE 2.160 0.118 13 0 "[ . 1 . 2]"
1 75 VAL 1.861 0.129 19 0 "[ . 1 . 2]"
1 76 LYS 1.888 0.121 6 0 "[ . 1 . 2]"
1 77 GLU 0.380 0.054 6 0 "[ . 1 . 2]"
1 78 GLY 0.796 0.410 4 0 "[ . 1 . 2]"
1 79 GLU 0.734 0.654 4 1 "[ +. 1 . 2]"
1 80 ILE 0.025 0.025 20 0 "[ . 1 . 2]"
1 81 ASP 0.012 0.006 17 0 "[ . 1 . 2]"
1 82 MET 0.030 0.015 15 0 "[ . 1 . 2]"
1 83 ASP 0.977 0.568 6 1 "[ .+ 1 . 2]"
1 84 MET 0.947 0.568 6 1 "[ .+ 1 . 2]"
1 85 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.026 0.012 10 0 "[ . 1 . 2]"
1 89 SER 0.045 0.012 10 0 "[ . 1 . 2]"
1 90 ASP 1.385 0.198 20 0 "[ . 1 . 2]"
1 91 GLU 1.759 0.081 20 0 "[ . 1 . 2]"
1 92 GLU 0.379 0.055 20 0 "[ . 1 . 2]"
1 93 VAL 0.372 0.198 20 0 "[ . 1 . 2]"
1 94 GLU 0.155 0.081 20 0 "[ . 1 . 2]"
1 95 GLU 0.224 0.049 6 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.063 0.027 13 0 "[ . 1 . 2]"
1 98 VAL 1.404 0.129 19 0 "[ . 1 . 2]"
1 99 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 1.730 0.726 11 1 "[ . 1+ . 2]"
1 106 PRO 0.052 0.025 20 0 "[ . 1 . 2]"
1 107 ALA 0.305 0.058 3 0 "[ . 1 . 2]"
1 108 ALA 1.216 0.842 4 1 "[ +. 1 . 2]"
1 109 ASP 0.042 0.024 19 0 "[ . 1 . 2]"
1 110 GLU 0.045 0.015 9 0 "[ . 1 . 2]"
1 111 VAL 2.306 0.842 4 1 "[ +. 1 . 2]"
1 112 LYS 0.134 0.025 9 0 "[ . 1 . 2]"
1 113 ILE 1.805 0.121 6 0 "[ . 1 . 2]"
1 114 VAL 0.334 0.041 7 0 "[ . 1 . 2]"
1 115 TYR 2.849 0.180 15 0 "[ . 1 . 2]"
1 116 ASN 0.491 0.071 17 0 "[ . 1 . 2]"
1 117 ALA 0.772 0.071 17 0 "[ . 1 . 2]"
1 119 HIS 3.474 0.782 19 1 "[ . 1 . +2]"
1 120 LEU 0.256 0.024 17 0 "[ . 1 . 2]"
1 121 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 TYR 4.304 0.898 17 5 "[ . 1 * **+- 2]"
1 123 LEU 4.304 0.898 17 5 "[ . 1 * **+- 2]"
1 124 GLN 0.304 0.057 10 0 "[ . 1 . 2]"
1 125 ASN 0.304 0.057 10 0 "[ . 1 . 2]"
1 126 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 109 ASP HA 0.000 . 3.500 2.924 2.234 3.391 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 39 THR MG 0.000 . 5.000 3.937 3.412 4.433 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO HA 1 2 THR H 0.000 . 2.700 2.595 2.406 2.723 0.023 20 0 "[ . 1 . 2]" 1
4 1 2 THR H 1 109 ASP HA 0.000 . 3.500 3.165 2.807 3.450 . 0 0 "[ . 1 . 2]" 1
5 1 2 THR H 1 109 ASP QB 0.000 . 5.000 4.187 3.668 4.841 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR H 1 110 GLU HA 0.000 . 3.500 3.412 3.084 3.515 0.015 9 0 "[ . 1 . 2]" 1
7 1 2 THR H 1 111 VAL H 0.000 . 5.000 4.450 3.891 4.871 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR MG 1 3 VAL HA 0.000 . 5.000 3.874 3.401 4.480 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL HA 1 111 VAL HB 0.000 . 5.000 2.833 2.125 3.371 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL HA 1 111 VAL MG1 0.000 . 5.000 3.981 1.860 4.540 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL HA 1 111 VAL MG2 0.000 . 5.000 3.919 3.364 4.521 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR HA 1 3 VAL H 0.000 . 2.700 2.237 2.200 2.329 . 0 0 "[ . 1 . 2]" 1
13 1 2 THR HB 1 3 VAL H 0.000 . 5.000 4.147 3.689 4.483 . 0 0 "[ . 1 . 2]" 1
14 1 2 THR MG 1 3 VAL H 0.000 . 5.000 2.651 1.947 3.228 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL H 1 4 GLU H 0.000 . 5.000 4.273 4.038 4.477 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL H 1 40 MET HB3 0.000 . 5.000 3.310 2.739 3.965 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 40 MET H 0.000 . 3.500 3.225 2.605 3.510 0.010 19 0 "[ . 1 . 2]" 1
18 1 3 VAL H 1 41 GLU HA 0.000 . 5.000 3.272 2.455 3.711 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL H 1 42 VAL QG 0.000 . 5.000 3.956 3.082 4.750 . 0 0 "[ . 1 . 2]" 1
20 1 2 THR MG 1 4 GLU HA 0.000 . 5.000 4.626 4.165 5.008 0.008 1 0 "[ . 1 . 2]" 1
21 1 4 GLU HA 1 39 THR MG 0.000 . 3.500 3.290 2.905 3.507 0.007 9 0 "[ . 1 . 2]" 1
22 1 4 GLU QB 1 39 THR HA 0.000 . 5.000 3.582 2.932 3.950 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLU QB 1 24 PHE QD 0.000 . 5.000 2.635 2.114 2.903 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU QB 1 24 PHE QE 0.000 . 5.000 2.729 1.988 3.324 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLU QB 1 24 PHE HZ 0.000 . 5.000 4.388 3.855 4.785 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU QG 1 24 PHE QD 0.000 . 3.500 2.250 1.867 3.017 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLU QG 1 24 PHE QE 0.000 . 3.500 3.208 2.708 3.500 . 0 0 "[ . 1 . 2]" 1
28 1 2 THR MG 1 4 GLU H 0.000 . 5.000 4.423 3.661 4.986 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL HA 1 4 GLU H 0.000 . 2.700 2.300 2.212 2.629 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL QG 1 4 GLU H 0.000 . 5.000 2.607 1.764 3.136 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU H 1 4 GLU QG 0.000 . 5.000 3.714 1.851 4.139 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU H 1 39 THR HA 0.000 . 5.000 4.462 4.014 4.900 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU H 1 111 VAL HB 0.000 . 5.000 4.375 3.737 5.019 0.019 4 0 "[ . 1 . 2]" 1
34 1 4 GLU H 1 112 LYS HA 0.000 . 3.500 2.723 2.185 3.147 . 0 0 "[ . 1 . 2]" 1
35 1 4 GLU H 1 113 ILE H 0.000 . 5.000 4.106 3.503 4.620 . 0 0 "[ . 1 . 2]" 1
36 1 5 TYR HA 1 24 PHE QE 0.000 . 3.500 3.212 2.527 3.513 0.013 15 0 "[ . 1 . 2]" 1
37 1 5 TYR HA 1 24 PHE HZ 0.000 . 5.000 4.006 3.177 4.633 . 0 0 "[ . 1 . 2]" 1
38 1 5 TYR HA 1 113 ILE H 0.000 . 3.500 3.189 2.917 3.494 . 0 0 "[ . 1 . 2]" 1
39 1 5 TYR HA 1 114 VAL HA 0.000 . 5.000 3.830 3.563 4.143 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL QG 1 5 TYR QD 0.000 . 5.000 4.306 3.513 4.818 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU HA 1 5 TYR QD 0.000 . 5.000 3.791 3.425 4.176 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR QD 1 40 MET HB3 0.000 . 5.000 3.511 2.804 3.753 . 0 0 "[ . 1 . 2]" 1
43 1 5 TYR QD 1 40 MET HB2 0.000 . 5.000 1.903 1.844 2.260 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR H 1 5 TYR QE 0.000 . 5.000 3.816 3.705 3.952 . 0 0 "[ . 1 . 2]" 1
45 1 5 TYR QE 1 38 GLY HA2 0.000 . 5.000 2.767 2.171 3.014 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR QE 1 40 MET HA 0.000 . 5.000 3.186 2.326 3.781 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR QE 1 40 MET HB2 0.000 . 5.000 3.728 3.258 4.140 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU HA 1 5 TYR H 0.000 . 2.700 2.223 2.208 2.244 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU QG 1 5 TYR H 0.000 . 5.000 3.358 2.888 4.313 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR H 1 5 TYR QD 0.000 . 5.000 2.353 2.063 2.668 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR H 1 38 GLY HA3 0.000 . 5.000 5.122 4.959 5.312 0.312 6 0 "[ . 1 . 2]" 1
52 1 5 TYR H 1 38 GLY H 0.000 . 3.500 3.413 3.167 3.506 0.006 5 0 "[ . 1 . 2]" 1
53 1 5 TYR H 1 39 THR HA 0.000 . 3.500 3.399 3.145 3.521 0.021 17 0 "[ . 1 . 2]" 1
54 1 5 TYR H 1 40 MET HA 0.000 . 5.000 5.035 4.994 5.092 0.092 13 0 "[ . 1 . 2]" 1
55 1 5 TYR H 1 40 MET H 0.000 . 5.000 3.244 2.957 3.738 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU HA 1 24 PHE QE 0.000 . 5.000 3.961 3.395 4.390 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU HA 1 37 TYR HA 0.000 . 2.700 2.250 2.072 2.381 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU HA 1 37 TYR HB2 0.000 . 3.500 3.087 2.734 3.346 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HA 1 37 TYR QD 0.000 . 5.000 3.039 2.647 3.353 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU QB 1 24 PHE QE 0.000 . 3.500 2.293 1.987 2.554 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU QD 1 11 LEU HA 0.000 . 5.000 4.424 4.284 4.482 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 23 LEU QD 0.000 . 3.500 2.397 1.741 2.913 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 24 PHE HA 0.000 . 3.500 2.488 1.834 2.879 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 24 PHE QD 0.000 . 5.000 2.780 2.115 3.092 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QD 1 24 PHE QE 0.000 . 5.000 2.844 2.576 3.222 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QD 1 24 PHE HZ 0.000 . 5.000 3.297 2.640 4.052 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU QD 1 27 ALA MB 0.000 . 3.500 2.630 2.116 2.946 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU HG 1 24 PHE H 0.000 . 5.000 4.929 4.691 5.095 0.095 18 0 "[ . 1 . 2]" 1
69 1 5 TYR HA 1 6 LEU H 0.000 . 2.700 2.265 2.214 2.322 . 0 0 "[ . 1 . 2]" 1
70 1 5 TYR HB2 1 6 LEU H 0.000 . 5.000 3.117 2.911 3.374 . 0 0 "[ . 1 . 2]" 1
71 1 5 TYR HB3 1 6 LEU H 0.000 . 5.000 4.157 3.960 4.308 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU H 1 24 PHE QE 0.000 . 3.500 3.330 3.016 3.522 0.022 17 0 "[ . 1 . 2]" 1
73 1 6 LEU H 1 24 PHE HZ 0.000 . 5.000 3.517 2.644 3.972 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU H 1 37 TYR HA 0.000 . 5.000 4.625 4.336 4.858 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU H 1 114 VAL HA 0.000 . 2.700 2.021 1.847 2.371 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU H 1 114 VAL QG 0.000 . 5.000 3.191 2.692 3.543 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU H 1 115 TYR QD 0.000 . 5.000 3.827 3.621 4.091 . 0 0 "[ . 1 . 2]" 1
78 1 7 ASN HD22 1 36 ASP HA 0.000 . 5.000 4.996 4.827 5.062 0.062 16 0 "[ . 1 . 2]" 1
79 1 6 LEU HA 1 7 ASN H 0.000 . 2.700 2.245 2.198 2.310 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU QB 1 7 ASN H 0.000 . 5.000 3.590 3.250 3.967 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QD 1 7 ASN H 0.000 . 5.000 1.989 1.805 2.145 . 0 0 "[ . 1 . 2]" 1
82 1 7 ASN H 1 36 ASP HA 0.000 . 3.500 3.337 3.058 3.512 0.012 16 0 "[ . 1 . 2]" 1
83 1 7 ASN H 1 37 TYR HA 0.000 . 5.000 3.435 3.091 3.731 . 0 0 "[ . 1 . 2]" 1
84 1 7 ASN H 1 37 TYR QD 0.000 . 5.000 4.676 4.302 4.950 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASN H 1 115 TYR QD 0.000 . 5.000 3.534 2.987 3.887 . 0 0 "[ . 1 . 2]" 1
86 1 7 ASN HA 1 8 TYR H 0.000 . 5.000 2.212 2.191 2.249 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR H 1 116 ASN QB 0.000 . 3.500 2.997 2.655 3.188 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLU HA 1 12 ASP QB 0.000 . 3.500 2.923 2.546 3.293 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASN HA 1 9 GLU H 0.000 . 5.000 3.732 3.544 3.924 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASN HD21 1 9 GLU H 0.000 . 5.000 4.188 2.674 4.938 . 0 0 "[ . 1 . 2]" 1
91 1 8 TYR HA 1 9 GLU H 0.000 . 5.000 3.527 3.453 3.560 . 0 0 "[ . 1 . 2]" 1
92 1 8 TYR HB3 1 9 GLU H 0.000 . 5.000 2.773 2.606 3.101 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HB2 1 9 GLU H 0.000 . 5.000 4.052 3.961 4.241 . 0 0 "[ . 1 . 2]" 1
94 1 8 TYR H 1 9 GLU H 0.000 . 2.700 2.697 2.646 2.734 0.034 16 0 "[ . 1 . 2]" 1
95 1 9 GLU H 1 10 THR H 0.000 . 2.700 2.669 2.584 2.731 0.031 15 0 "[ . 1 . 2]" 1
96 1 9 GLU H 1 114 VAL QG 0.000 . 5.000 4.125 3.981 4.317 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 116 ASN QB 0.000 . 5.000 3.667 3.181 4.154 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 119 HIS HB3 0.000 . 5.000 5.085 4.299 5.782 0.782 19 1 "[ . 1 . +2]" 1
99 1 10 THR HA 1 13 ASP HB3 0.000 . 5.000 2.756 2.035 3.978 . 0 0 "[ . 1 . 2]" 1
100 1 10 THR HA 1 13 ASP HB2 0.000 . 3.500 3.276 2.130 4.052 0.552 9 1 "[ . +1 . 2]" 1
101 1 10 THR HB 1 23 LEU QD 0.000 . 5.000 3.994 3.228 4.873 . 0 0 "[ . 1 . 2]" 1
102 1 10 THR HB 1 32 LEU QD 0.000 . 5.000 3.808 3.342 4.671 . 0 0 "[ . 1 . 2]" 1
103 1 7 ASN HB2 1 10 THR H 0.000 . 5.000 4.110 3.336 4.378 . 0 0 "[ . 1 . 2]" 1
104 1 7 ASN HB3 1 10 THR H 0.000 . 3.500 2.920 2.558 4.488 0.988 4 2 "[ +. 1 - . 2]" 1
105 1 7 ASN HD22 1 10 THR H 0.000 . 3.500 3.414 2.571 3.531 0.031 18 0 "[ . 1 . 2]" 1
106 1 9 GLU HA 1 10 THR H 0.000 . 5.000 3.551 3.508 3.582 . 0 0 "[ . 1 . 2]" 1
107 1 10 THR H 1 11 LEU H 0.000 . 2.700 2.662 2.554 2.719 0.019 10 0 "[ . 1 . 2]" 1
108 1 11 LEU QD 1 23 LEU QD 0.000 . 3.500 1.824 1.533 2.770 . 0 0 "[ . 1 . 2]" 1
109 1 8 TYR HA 1 11 LEU H 0.000 . 3.500 3.425 3.274 3.517 0.017 6 0 "[ . 1 . 2]" 1
110 1 10 THR HA 1 11 LEU H 0.000 . 5.000 3.541 3.487 3.570 . 0 0 "[ . 1 . 2]" 1
111 1 10 THR HB 1 11 LEU H 0.000 . 5.000 2.694 2.487 2.904 . 0 0 "[ . 1 . 2]" 1
112 1 10 THR MG 1 11 LEU H 0.000 . 5.000 3.415 3.056 3.785 . 0 0 "[ . 1 . 2]" 1
113 1 11 LEU H 1 11 LEU QD 0.000 . 5.000 3.636 3.317 3.696 . 0 0 "[ . 1 . 2]" 1
114 1 11 LEU H 1 12 ASP H 0.000 . 2.700 2.669 2.568 2.718 0.018 2 0 "[ . 1 . 2]" 1
115 1 11 LEU H 1 13 ASP H 0.000 . 5.000 4.152 3.547 4.452 . 0 0 "[ . 1 . 2]" 1
116 1 11 LEU QB 1 12 ASP HA 0.000 . 5.000 4.268 3.904 4.496 . 0 0 "[ . 1 . 2]" 1
117 1 9 GLU HA 1 12 ASP H 0.000 . 3.500 3.437 3.244 3.519 0.019 4 0 "[ . 1 . 2]" 1
118 1 11 LEU HA 1 12 ASP H 0.000 . 5.000 3.573 3.545 3.588 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU QB 1 12 ASP H 0.000 . 5.000 2.465 2.244 2.625 . 0 0 "[ . 1 . 2]" 1
120 1 12 ASP H 1 13 ASP H 0.000 . 2.700 2.578 2.414 2.698 . 0 0 "[ . 1 . 2]" 1
121 1 12 ASP QB 1 13 ASP HA 0.000 . 5.000 3.842 3.729 3.940 . 0 0 "[ . 1 . 2]" 1
122 1 9 GLU HA 1 13 ASP H 0.000 . 5.000 3.621 3.360 3.942 . 0 0 "[ . 1 . 2]" 1
123 1 12 ASP QB 1 13 ASP H 0.000 . 5.000 2.472 2.238 3.016 . 0 0 "[ . 1 . 2]" 1
124 1 13 ASP H 1 14 GLN H 0.000 . 3.500 2.938 2.635 3.189 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLN HB3 1 23 LEU QD 0.000 . 5.000 3.822 2.542 4.942 . 0 0 "[ . 1 . 2]" 1
126 1 10 THR MG 1 14 GLN HE21 0.000 . 5.000 3.549 2.227 4.944 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLN HE21 1 30 ALA MB 0.000 . 5.000 4.057 3.177 4.797 . 0 0 "[ . 1 . 2]" 1
128 1 14 GLN HE21 1 32 LEU QD 0.000 . 5.000 3.478 2.032 4.650 . 0 0 "[ . 1 . 2]" 1
129 1 10 THR MG 1 14 GLN HE22 0.000 . 5.000 3.832 2.679 4.957 . 0 0 "[ . 1 . 2]" 1
130 1 14 GLN HE22 1 30 ALA MB 0.000 . 5.000 3.427 2.106 4.891 . 0 0 "[ . 1 . 2]" 1
131 1 14 GLN HE22 1 32 LEU QD 0.000 . 5.000 3.079 2.009 4.653 . 0 0 "[ . 1 . 2]" 1
132 1 10 THR HA 1 14 GLN H 0.000 . 3.500 3.427 3.282 3.512 0.012 12 0 "[ . 1 . 2]" 1
133 1 10 THR MG 1 14 GLN H 0.000 . 5.000 3.841 3.616 4.080 . 0 0 "[ . 1 . 2]" 1
134 1 11 LEU HA 1 14 GLN H 0.000 . 5.000 4.230 3.963 4.574 . 0 0 "[ . 1 . 2]" 1
135 1 13 ASP HA 1 14 GLN H 0.000 . 5.000 3.587 3.567 3.595 . 0 0 "[ . 1 . 2]" 1
136 1 13 ASP QB 1 14 GLN H 0.000 . 5.000 2.238 1.969 2.476 . 0 0 "[ . 1 . 2]" 1
137 1 14 GLN H 1 14 GLN QG 0.000 . 5.000 3.349 1.916 3.969 . 0 0 "[ . 1 . 2]" 1
138 1 12 ASP HA 1 15 GLY H 0.000 . 3.500 3.371 3.151 3.510 0.010 18 0 "[ . 1 . 2]" 1
139 1 13 ASP H 1 15 GLY H 0.000 . 5.000 3.864 3.539 4.030 . 0 0 "[ . 1 . 2]" 1
140 1 14 GLN HA 1 15 GLY H 0.000 . 5.000 3.492 3.427 3.548 . 0 0 "[ . 1 . 2]" 1
141 1 14 GLN HB3 1 15 GLY H 0.000 . 5.000 3.297 2.730 4.199 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLN HB2 1 15 GLY H 0.000 . 5.000 3.462 2.760 4.000 . 0 0 "[ . 1 . 2]" 1
143 1 14 GLN QG 1 15 GLY H 0.000 . 5.000 4.213 3.882 4.533 . 0 0 "[ . 1 . 2]" 1
144 1 14 GLN H 1 15 GLY H 0.000 . 2.700 2.553 2.331 2.685 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLY H 1 16 TRP H 0.000 . 2.700 2.533 2.265 2.710 0.010 12 0 "[ . 1 . 2]" 1
146 1 15 GLY QA 1 16 TRP HA 0.000 . 5.000 4.110 4.057 4.147 . 0 0 "[ . 1 . 2]" 1
147 1 16 TRP HA 1 17 ASP HB2 0.000 . 5.000 4.443 4.044 5.010 0.010 18 0 "[ . 1 . 2]" 1
148 1 16 TRP HA 1 21 ASP QB 0.000 . 5.000 3.997 3.269 4.703 . 0 0 "[ . 1 . 2]" 1
149 1 16 TRP HA 1 23 LEU QD 0.000 . 5.000 4.103 3.488 4.529 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU QD 1 16 TRP QB 0.000 . 3.500 2.392 1.779 2.882 . 0 0 "[ . 1 . 2]" 1
151 1 16 TRP QB 1 23 LEU QD 0.000 . 3.500 1.898 1.702 2.346 . 0 0 "[ . 1 . 2]" 1
152 1 11 LEU HA 1 16 TRP H 0.000 . 3.500 3.403 3.130 3.520 0.020 12 0 "[ . 1 . 2]" 1
153 1 11 LEU QD 1 16 TRP H 0.000 . 2.700 2.542 2.067 2.708 0.008 18 0 "[ . 1 . 2]" 1
154 1 12 ASP HA 1 16 TRP H 0.000 . 5.000 4.316 3.938 4.572 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLN HB3 1 16 TRP H 0.000 . 5.000 3.283 2.534 4.715 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLN HB2 1 16 TRP H 0.000 . 5.000 3.991 2.796 4.769 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLN QG 1 16 TRP H 0.000 . 5.000 4.495 3.736 4.900 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLN H 1 16 TRP H 0.000 . 5.000 4.275 3.923 4.790 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLY QA 1 16 TRP H 0.000 . 5.000 2.750 2.601 2.869 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU QD 1 17 ASP H 0.000 . 5.000 3.555 2.543 4.003 . 0 0 "[ . 1 . 2]" 1
161 1 16 TRP HA 1 17 ASP H 0.000 . 2.700 2.639 2.414 2.762 0.062 10 0 "[ . 1 . 2]" 1
162 1 16 TRP QB 1 17 ASP H 0.000 . 5.000 2.258 1.925 2.670 . 0 0 "[ . 1 . 2]" 1
163 1 16 TRP HD1 1 17 ASP H 0.000 . 5.000 3.870 2.463 5.031 0.031 10 0 "[ . 1 . 2]" 1
164 1 16 TRP H 1 17 ASP H 0.000 . 5.000 4.507 4.374 4.615 . 0 0 "[ . 1 . 2]" 1
165 1 17 ASP H 1 18 MET H 0.000 . 5.000 4.532 4.392 4.615 . 0 0 "[ . 1 . 2]" 1
166 1 17 ASP H 1 23 LEU QD 0.000 . 5.000 3.338 2.228 4.237 . 0 0 "[ . 1 . 2]" 1
167 1 11 LEU QD 1 18 MET H 0.000 . 5.000 3.623 2.711 4.090 . 0 0 "[ . 1 . 2]" 1
168 1 17 ASP HB3 1 18 MET H 0.000 . 5.000 2.478 2.122 3.686 . 0 0 "[ . 1 . 2]" 1
169 1 18 MET H 1 19 ASP H 0.000 . 2.700 2.635 2.481 2.716 0.016 10 0 "[ . 1 . 2]" 1
170 1 17 ASP HA 1 19 ASP H 0.000 . 5.000 4.733 3.847 5.014 0.014 13 0 "[ . 1 . 2]" 1
171 1 17 ASP HB3 1 19 ASP H 0.000 . 5.000 2.986 2.703 3.657 . 0 0 "[ . 1 . 2]" 1
172 1 18 MET HA 1 19 ASP H 0.000 . 5.000 3.572 3.415 3.599 . 0 0 "[ . 1 . 2]" 1
173 1 18 MET QB 1 19 ASP H 0.000 . 5.000 2.427 2.143 3.103 . 0 0 "[ . 1 . 2]" 1
174 1 19 ASP H 1 20 ASP H 0.000 . 2.700 1.908 1.837 2.289 . 0 0 "[ . 1 . 2]" 1
175 1 17 ASP HB3 1 20 ASP HA 0.000 . 5.000 4.458 3.820 4.874 . 0 0 "[ . 1 . 2]" 1
176 1 17 ASP H 1 20 ASP H 0.000 . 5.000 4.660 4.028 5.023 0.023 10 0 "[ . 1 . 2]" 1
177 1 18 MET HA 1 20 ASP H 0.000 . 5.000 4.830 4.695 5.016 0.016 12 0 "[ . 1 . 2]" 1
178 1 18 MET QB 1 20 ASP H 0.000 . 5.000 4.048 3.776 4.867 . 0 0 "[ . 1 . 2]" 1
179 1 18 MET H 1 20 ASP H 0.000 . 5.000 3.491 3.306 4.256 . 0 0 "[ . 1 . 2]" 1
180 1 19 ASP HA 1 20 ASP H 0.000 . 5.000 3.307 3.109 3.572 . 0 0 "[ . 1 . 2]" 1
181 1 20 ASP HA 1 21 ASP H 0.000 . 5.000 3.587 3.576 3.594 . 0 0 "[ . 1 . 2]" 1
182 1 20 ASP QB 1 21 ASP H 0.000 . 5.000 2.233 1.924 2.429 . 0 0 "[ . 1 . 2]" 1
183 1 20 ASP H 1 21 ASP H 0.000 . 5.000 2.710 2.518 3.152 . 0 0 "[ . 1 . 2]" 1
184 1 21 ASP HA 1 22 ASP H 0.000 . 3.500 3.317 3.195 3.492 . 0 0 "[ . 1 . 2]" 1
185 1 21 ASP QB 1 22 ASP H 0.000 . 5.000 3.213 1.796 3.961 . 0 0 "[ . 1 . 2]" 1
186 1 21 ASP H 1 22 ASP H 0.000 . 3.500 2.723 2.514 3.544 0.044 13 0 "[ . 1 . 2]" 1
187 1 22 ASP H 1 23 LEU H 0.000 . 3.500 2.932 2.058 3.100 . 0 0 "[ . 1 . 2]" 1
188 1 11 LEU HA 1 23 LEU QD 0.000 . 5.000 2.172 1.737 2.969 . 0 0 "[ . 1 . 2]" 1
189 1 18 MET HA 1 23 LEU QD 0.000 . 5.000 3.432 2.466 4.888 . 0 0 "[ . 1 . 2]" 1
190 1 21 ASP HA 1 23 LEU H 0.000 . 5.000 5.037 5.006 5.163 0.163 14 0 "[ . 1 . 2]" 1
191 1 21 ASP QB 1 23 LEU H 0.000 . 5.000 3.449 3.077 4.493 . 0 0 "[ . 1 . 2]" 1
192 1 22 ASP HA 1 23 LEU H 0.000 . 2.700 2.732 2.705 2.794 0.094 14 0 "[ . 1 . 2]" 1
193 1 23 LEU H 1 23 LEU QD 0.000 . 5.000 2.425 1.781 3.533 . 0 0 "[ . 1 . 2]" 1
194 1 23 LEU H 1 24 PHE H 0.000 . 3.500 3.056 2.877 3.496 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU H 1 25 GLU H 0.000 . 5.000 4.139 3.719 4.271 . 0 0 "[ . 1 . 2]" 1
196 1 24 PHE HA 1 27 ALA MB 0.000 . 3.500 2.993 2.473 3.465 . 0 0 "[ . 1 . 2]" 1
197 1 6 LEU QB 1 24 PHE QD 0.000 . 5.000 3.501 2.852 3.999 . 0 0 "[ . 1 . 2]" 1
198 1 23 LEU QB 1 24 PHE QD 0.000 . 5.000 3.646 3.045 3.960 . 0 0 "[ . 1 . 2]" 1
199 1 24 PHE QD 1 27 ALA MB 0.000 . 5.000 4.610 3.954 5.021 0.021 12 0 "[ . 1 . 2]" 1
200 1 24 PHE QD 1 37 TYR QD 0.000 . 5.000 3.226 2.551 3.930 . 0 0 "[ . 1 . 2]" 1
201 1 24 PHE QD 1 37 TYR QE 0.000 . 2.700 2.445 1.882 2.707 0.007 1 0 "[ . 1 . 2]" 1
202 1 23 LEU QB 1 24 PHE QE 0.000 . 5.000 4.488 3.959 4.824 . 0 0 "[ . 1 . 2]" 1
203 1 24 PHE QE 1 76 LYS HB3 0.000 . 3.500 2.646 2.070 3.401 . 0 0 "[ . 1 . 2]" 1
204 1 24 PHE QE 1 76 LYS HB2 0.000 . 3.500 2.170 1.872 2.566 . 0 0 "[ . 1 . 2]" 1
205 1 24 PHE QE 1 76 LYS H 0.000 . 5.000 4.123 3.747 4.365 . 0 0 "[ . 1 . 2]" 1
206 1 24 PHE QE 1 113 ILE HA 0.000 . 5.000 4.352 3.853 4.766 . 0 0 "[ . 1 . 2]" 1
207 1 24 PHE QE 1 114 VAL QG 0.000 . 5.000 3.199 2.325 4.031 . 0 0 "[ . 1 . 2]" 1
208 1 6 LEU QD 1 24 PHE H 0.000 . 5.000 2.638 2.279 2.961 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASP HA 1 24 PHE H 0.000 . 5.000 3.672 3.283 4.818 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU QB 1 24 PHE H 0.000 . 5.000 2.401 1.958 2.724 . 0 0 "[ . 1 . 2]" 1
211 1 24 PHE H 1 24 PHE QD 0.000 . 5.000 2.516 2.092 2.760 . 0 0 "[ . 1 . 2]" 1
212 1 24 PHE H 1 25 GLU QB 0.000 . 5.000 4.448 4.286 4.780 . 0 0 "[ . 1 . 2]" 1
213 1 24 PHE H 1 25 GLU H 0.000 . 2.700 2.756 2.684 2.833 0.133 11 0 "[ . 1 . 2]" 1
214 1 6 LEU QB 1 24 PHE HZ 0.000 . 5.000 2.376 2.134 2.632 . 0 0 "[ . 1 . 2]" 1
215 1 24 PHE HZ 1 76 LYS HB3 0.000 . 5.000 3.833 3.135 4.518 . 0 0 "[ . 1 . 2]" 1
216 1 24 PHE HZ 1 76 LYS HB2 0.000 . 5.000 3.099 2.719 3.535 . 0 0 "[ . 1 . 2]" 1
217 1 24 PHE HZ 1 114 VAL HA 0.000 . 5.000 3.539 3.022 4.040 . 0 0 "[ . 1 . 2]" 1
218 1 24 PHE HZ 1 114 VAL HB 0.000 . 5.000 4.804 4.059 5.024 0.024 13 0 "[ . 1 . 2]" 1
219 1 24 PHE HZ 1 114 VAL QG 0.000 . 5.000 2.853 2.192 3.680 . 0 0 "[ . 1 . 2]" 1
220 1 25 GLU HA 1 28 ALA MB 0.000 . 3.500 3.350 2.932 3.521 0.021 14 0 "[ . 1 . 2]" 1
221 1 22 ASP HA 1 25 GLU H 0.000 . 5.000 3.885 3.415 4.179 . 0 0 "[ . 1 . 2]" 1
222 1 22 ASP HB3 1 25 GLU H 0.000 . 5.000 3.165 2.950 3.745 . 0 0 "[ . 1 . 2]" 1
223 1 24 PHE HA 1 25 GLU H 0.000 . 3.500 3.479 3.409 3.512 0.012 14 0 "[ . 1 . 2]" 1
224 1 24 PHE HB3 1 25 GLU H 0.000 . 5.000 3.708 3.367 4.000 . 0 0 "[ . 1 . 2]" 1
225 1 24 PHE HB2 1 25 GLU H 0.000 . 5.000 2.999 2.847 3.303 . 0 0 "[ . 1 . 2]" 1
226 1 24 PHE QD 1 25 GLU H 0.000 . 5.000 4.514 4.215 4.737 . 0 0 "[ . 1 . 2]" 1
227 1 25 GLU H 1 27 ALA H 0.000 . 5.000 3.474 3.277 3.767 . 0 0 "[ . 1 . 2]" 1
228 1 26 LYS HA 1 29 ASP HB3 0.000 . 5.000 4.111 3.175 4.831 . 0 0 "[ . 1 . 2]" 1
229 1 26 LYS HA 1 29 ASP HB2 0.000 . 5.000 3.168 2.504 4.121 . 0 0 "[ . 1 . 2]" 1
230 1 22 ASP HB3 1 26 LYS H 0.000 . 5.000 3.525 1.988 4.531 . 0 0 "[ . 1 . 2]" 1
231 1 22 ASP HB2 1 26 LYS H 0.000 . 5.000 4.115 3.311 4.880 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU H 1 26 LYS H 0.000 . 5.000 4.556 4.272 4.775 . 0 0 "[ . 1 . 2]" 1
233 1 24 PHE H 1 26 LYS H 0.000 . 5.000 4.416 4.188 4.913 . 0 0 "[ . 1 . 2]" 1
234 1 25 GLU QB 1 26 LYS H 0.000 . 5.000 2.438 2.128 2.801 . 0 0 "[ . 1 . 2]" 1
235 1 25 GLU H 1 26 LYS H 0.000 . 2.700 2.299 2.106 2.570 . 0 0 "[ . 1 . 2]" 1
236 1 26 LYS H 1 27 ALA H 0.000 . 2.700 2.565 2.436 2.654 . 0 0 "[ . 1 . 2]" 1
237 1 23 LEU HA 1 27 ALA H 0.000 . 5.000 3.344 2.918 4.171 . 0 0 "[ . 1 . 2]" 1
238 1 24 PHE HA 1 27 ALA H 0.000 . 5.000 4.129 3.698 4.488 . 0 0 "[ . 1 . 2]" 1
239 1 26 LYS HA 1 27 ALA H 0.000 . 3.500 3.492 3.393 3.535 0.035 4 0 "[ . 1 . 2]" 1
240 1 26 LYS HB3 1 27 ALA H 0.000 . 5.000 3.348 2.740 4.001 . 0 0 "[ . 1 . 2]" 1
241 1 26 LYS HB2 1 27 ALA H 0.000 . 5.000 3.438 2.692 4.229 . 0 0 "[ . 1 . 2]" 1
242 1 27 ALA H 1 28 ALA H 0.000 . 2.700 2.636 2.438 2.728 0.028 13 0 "[ . 1 . 2]" 1
243 1 28 ALA HA 1 37 TYR QE 0.000 . 2.700 2.155 1.861 2.599 . 0 0 "[ . 1 . 2]" 1
244 1 27 ALA HA 1 28 ALA H 0.000 . 5.000 3.491 3.398 3.560 . 0 0 "[ . 1 . 2]" 1
245 1 27 ALA MB 1 28 ALA H 0.000 . 5.000 2.807 2.521 3.073 . 0 0 "[ . 1 . 2]" 1
246 1 28 ALA H 1 37 TYR QE 0.000 . 5.000 3.361 2.962 3.766 . 0 0 "[ . 1 . 2]" 1
247 1 26 LYS HA 1 29 ASP H 0.000 . 3.500 3.426 3.141 3.520 0.020 5 0 "[ . 1 . 2]" 1
248 1 28 ALA HA 1 29 ASP H 0.000 . 3.500 3.470 3.386 3.530 0.030 19 0 "[ . 1 . 2]" 1
249 1 28 ALA MB 1 29 ASP H 0.000 . 5.000 2.906 2.618 3.136 . 0 0 "[ . 1 . 2]" 1
250 1 27 ALA HA 1 30 ALA MB 0.000 . 3.500 2.614 2.256 3.079 . 0 0 "[ . 1 . 2]" 1
251 1 27 ALA HA 1 30 ALA H 0.000 . 3.500 3.402 3.127 3.513 0.013 8 0 "[ . 1 . 2]" 1
252 1 29 ASP HA 1 30 ALA H 0.000 . 3.500 3.403 3.236 3.535 0.035 18 0 "[ . 1 . 2]" 1
253 1 29 ASP HB3 1 30 ALA H 0.000 . 5.000 3.534 2.648 4.390 . 0 0 "[ . 1 . 2]" 1
254 1 29 ASP HB2 1 30 ALA H 0.000 . 5.000 3.649 3.050 4.262 . 0 0 "[ . 1 . 2]" 1
255 1 29 ASP H 1 30 ALA H 0.000 . 2.700 2.315 2.083 2.502 . 0 0 "[ . 1 . 2]" 1
256 1 29 ASP H 1 31 GLY H 0.000 . 5.000 4.101 3.802 4.743 . 0 0 "[ . 1 . 2]" 1
257 1 30 ALA HA 1 31 GLY H 0.000 . 3.500 3.512 3.351 3.572 0.072 2 0 "[ . 1 . 2]" 1
258 1 30 ALA MB 1 31 GLY H 0.000 . 5.000 2.689 1.937 3.191 . 0 0 "[ . 1 . 2]" 1
259 1 30 ALA H 1 31 GLY H 0.000 . 2.700 2.307 2.077 2.684 . 0 0 "[ . 1 . 2]" 1
260 1 27 ALA HA 1 32 LEU H 0.000 . 5.000 4.576 4.085 4.928 . 0 0 "[ . 1 . 2]" 1
261 1 31 GLY QA 1 32 LEU H 0.000 . 5.000 2.658 2.496 2.806 . 0 0 "[ . 1 . 2]" 1
262 1 31 GLY H 1 32 LEU H 0.000 . 2.700 2.532 2.079 2.713 0.013 4 0 "[ . 1 . 2]" 1
263 1 32 LEU H 1 33 ASP H 0.000 . 5.000 4.618 4.530 4.676 . 0 0 "[ . 1 . 2]" 1
264 1 32 LEU H 1 37 TYR HB3 0.000 . 5.000 4.486 3.971 4.891 . 0 0 "[ . 1 . 2]" 1
265 1 33 ASP HA 1 36 ASP QB 0.000 . 5.000 4.596 4.010 4.939 . 0 0 "[ . 1 . 2]" 1
266 1 32 LEU HA 1 33 ASP H 0.000 . 2.700 2.511 2.249 2.695 . 0 0 "[ . 1 . 2]" 1
267 1 32 LEU HB3 1 33 ASP H 0.000 . 3.500 2.541 2.081 3.338 . 0 0 "[ . 1 . 2]" 1
268 1 32 LEU HB2 1 33 ASP H 0.000 . 5.000 3.800 3.100 4.395 . 0 0 "[ . 1 . 2]" 1
269 1 32 LEU QD 1 33 ASP H 0.000 . 5.000 2.767 1.865 3.389 . 0 0 "[ . 1 . 2]" 1
270 1 33 ASP H 1 36 ASP H 0.000 . 5.000 4.577 4.357 4.806 . 0 0 "[ . 1 . 2]" 1
271 1 33 ASP H 1 37 TYR H 0.000 . 5.000 4.666 4.306 5.010 0.010 10 0 "[ . 1 . 2]" 1
272 1 33 ASP HA 1 34 GLY H 0.000 . 2.700 2.353 2.214 2.500 . 0 0 "[ . 1 . 2]" 1
273 1 33 ASP HB3 1 34 GLY H 0.000 . 5.000 3.116 2.468 3.929 . 0 0 "[ . 1 . 2]" 1
274 1 33 ASP HB2 1 34 GLY H 0.000 . 5.000 4.116 3.732 4.552 . 0 0 "[ . 1 . 2]" 1
275 1 33 ASP HA 1 35 GLU H 0.000 . 5.000 4.097 3.604 4.418 . 0 0 "[ . 1 . 2]" 1
276 1 33 ASP HB2 1 35 GLU H 0.000 . 5.000 4.104 2.969 4.650 . 0 0 "[ . 1 . 2]" 1
277 1 34 GLY HA3 1 35 GLU H 0.000 . 3.500 3.504 3.430 3.560 0.060 16 0 "[ . 1 . 2]" 1
278 1 34 GLY HA2 1 35 GLU H 0.000 . 5.000 2.967 2.763 3.124 . 0 0 "[ . 1 . 2]" 1
279 1 34 GLY H 1 35 GLU H 0.000 . 3.500 2.553 2.303 2.820 . 0 0 "[ . 1 . 2]" 1
280 1 35 GLU H 1 35 GLU QG 0.000 . 5.000 2.940 1.933 3.911 . 0 0 "[ . 1 . 2]" 1
281 1 35 GLU H 1 36 ASP QB 0.000 . 5.000 4.326 4.121 4.564 . 0 0 "[ . 1 . 2]" 1
282 1 35 GLU H 1 36 ASP H 0.000 . 2.700 2.599 2.434 2.678 . 0 0 "[ . 1 . 2]" 1
283 1 7 ASN HA 1 36 ASP HA 0.000 . 5.000 3.473 3.314 3.849 . 0 0 "[ . 1 . 2]" 1
284 1 7 ASN HB2 1 36 ASP HA 0.000 . 2.700 2.054 1.849 3.538 0.838 4 2 "[ +. 1 - . 2]" 1
285 1 7 ASN HB3 1 36 ASP HA 0.000 . 5.000 3.419 1.843 3.703 . 0 0 "[ . 1 . 2]" 1
286 1 36 ASP HA 1 115 TYR QE 0.000 . 5.000 1.926 1.829 2.094 . 0 0 "[ . 1 . 2]" 1
287 1 34 GLY HA3 1 36 ASP H 0.000 . 5.000 3.604 3.369 4.094 . 0 0 "[ . 1 . 2]" 1
288 1 35 GLU HA 1 36 ASP H 0.000 . 5.000 3.382 3.295 3.520 . 0 0 "[ . 1 . 2]" 1
289 1 35 GLU QB 1 36 ASP H 0.000 . 5.000 3.258 2.801 3.837 . 0 0 "[ . 1 . 2]" 1
290 1 36 ASP H 1 115 TYR QE 0.000 . 5.000 4.745 4.560 4.901 . 0 0 "[ . 1 . 2]" 1
291 1 5 TYR QD 1 37 TYR HA 0.000 . 5.000 2.878 2.639 3.307 . 0 0 "[ . 1 . 2]" 1
292 1 6 LEU QD 1 37 TYR HB2 0.000 . 3.500 2.000 1.839 2.431 . 0 0 "[ . 1 . 2]" 1
293 1 7 ASN H 1 37 TYR HB2 0.000 . 3.500 3.408 3.216 3.532 0.032 20 0 "[ . 1 . 2]" 1
294 1 6 LEU QB 1 37 TYR QD 0.000 . 5.000 3.535 2.490 4.285 . 0 0 "[ . 1 . 2]" 1
295 1 6 LEU QD 1 37 TYR QD 0.000 . 3.500 2.625 1.839 3.029 . 0 0 "[ . 1 . 2]" 1
296 1 24 PHE HA 1 37 TYR QD 0.000 . 5.000 3.236 2.811 3.773 . 0 0 "[ . 1 . 2]" 1
297 1 27 ALA MB 1 37 TYR QD 0.000 . 3.500 2.600 2.298 3.042 . 0 0 "[ . 1 . 2]" 1
298 1 28 ALA HA 1 37 TYR QD 0.000 . 5.000 3.683 2.841 4.652 . 0 0 "[ . 1 . 2]" 1
299 1 32 LEU HB2 1 37 TYR QD 0.000 . 5.000 3.147 2.433 4.074 . 0 0 "[ . 1 . 2]" 1
300 1 4 GLU QG 1 37 TYR QE 0.000 . 5.000 2.944 2.176 4.829 . 0 0 "[ . 1 . 2]" 1
301 1 6 LEU QD 1 37 TYR QE 0.000 . 5.000 3.743 3.130 4.102 . 0 0 "[ . 1 . 2]" 1
302 1 24 PHE HA 1 37 TYR QE 0.000 . 5.000 2.314 1.864 2.923 . 0 0 "[ . 1 . 2]" 1
303 1 24 PHE HB3 1 37 TYR QE 0.000 . 5.000 3.320 2.522 3.760 . 0 0 "[ . 1 . 2]" 1
304 1 27 ALA MB 1 37 TYR QE 0.000 . 3.500 2.885 2.403 3.370 . 0 0 "[ . 1 . 2]" 1
305 1 28 ALA MB 1 37 TYR QE 0.000 . 5.000 2.555 1.890 3.528 . 0 0 "[ . 1 . 2]" 1
306 1 5 TYR QD 1 37 TYR H 0.000 . 5.000 4.210 3.912 4.650 . 0 0 "[ . 1 . 2]" 1
307 1 6 LEU QD 1 37 TYR H 0.000 . 5.000 4.373 4.056 4.658 . 0 0 "[ . 1 . 2]" 1
308 1 32 LEU HB2 1 37 TYR H 0.000 . 5.000 4.417 3.859 5.029 0.029 9 0 "[ . 1 . 2]" 1
309 1 32 LEU QD 1 37 TYR H 0.000 . 5.000 4.432 3.771 4.737 . 0 0 "[ . 1 . 2]" 1
310 1 34 GLY HA3 1 37 TYR H 0.000 . 3.500 3.463 3.283 3.535 0.035 9 0 "[ . 1 . 2]" 1
311 1 34 GLY HA2 1 37 TYR H 0.000 . 5.000 4.895 4.720 5.006 0.006 11 0 "[ . 1 . 2]" 1
312 1 36 ASP HA 1 37 TYR H 0.000 . 5.000 3.587 3.578 3.599 . 0 0 "[ . 1 . 2]" 1
313 1 36 ASP QB 1 37 TYR H 0.000 . 5.000 2.364 2.234 2.571 . 0 0 "[ . 1 . 2]" 1
314 1 36 ASP H 1 37 TYR H 0.000 . 2.700 2.286 2.133 2.501 . 0 0 "[ . 1 . 2]" 1
315 1 37 TYR H 1 37 TYR QD 0.000 . 5.000 4.099 4.008 4.210 . 0 0 "[ . 1 . 2]" 1
316 1 37 TYR H 1 38 GLY H 0.000 . 5.000 4.411 4.236 4.485 . 0 0 "[ . 1 . 2]" 1
317 1 6 LEU HA 1 38 GLY H 0.000 . 5.000 3.901 3.710 4.056 . 0 0 "[ . 1 . 2]" 1
318 1 6 LEU QD 1 38 GLY H 0.000 . 5.000 4.354 3.917 4.646 . 0 0 "[ . 1 . 2]" 1
319 1 37 TYR HA 1 38 GLY H 0.000 . 2.700 2.255 2.207 2.315 . 0 0 "[ . 1 . 2]" 1
320 1 37 TYR QD 1 38 GLY H 0.000 . 5.000 2.742 2.109 3.282 . 0 0 "[ . 1 . 2]" 1
321 1 38 GLY H 1 39 THR H 0.000 . 5.000 4.348 4.216 4.414 . 0 0 "[ . 1 . 2]" 1
322 1 4 GLU HA 1 39 THR HA 0.000 . 2.700 1.979 1.842 2.295 . 0 0 "[ . 1 . 2]" 1
323 1 4 GLU QG 1 39 THR HA 0.000 . 5.000 2.539 1.861 4.743 . 0 0 "[ . 1 . 2]" 1
324 1 39 THR HA 1 40 MET H 0.000 . 2.700 2.224 2.211 2.276 . 0 0 "[ . 1 . 2]" 1
325 1 4 GLU HA 1 39 THR H 0.000 . 5.000 4.593 4.257 4.951 . 0 0 "[ . 1 . 2]" 1
326 1 38 GLY HA3 1 39 THR H 0.000 . 5.000 2.504 2.322 2.699 . 0 0 "[ . 1 . 2]" 1
327 1 38 GLY HA2 1 39 THR H 0.000 . 5.000 2.729 2.527 2.960 . 0 0 "[ . 1 . 2]" 1
328 1 39 THR MG 1 40 MET HA 0.000 . 5.000 4.453 4.062 5.007 0.007 4 0 "[ . 1 . 2]" 1
329 1 40 MET HB2 1 52 ALA MB 0.000 . 5.000 4.473 3.814 4.939 . 0 0 "[ . 1 . 2]" 1
330 1 40 MET ME 1 52 ALA HA 0.000 . 3.500 3.145 1.853 3.495 . 0 0 "[ . 1 . 2]" 1
331 1 40 MET ME 1 52 ALA H 0.000 . 3.500 2.293 1.862 3.524 0.024 15 0 "[ . 1 . 2]" 1
332 1 40 MET ME 1 59 TRP HZ2 0.000 . 3.500 3.300 2.366 3.524 0.024 15 0 "[ . 1 . 2]" 1
333 1 2 THR MG 1 40 MET H 0.000 . 5.000 3.891 3.236 4.550 . 0 0 "[ . 1 . 2]" 1
334 1 3 VAL HB 1 40 MET H 0.000 . 5.000 3.889 3.077 5.063 0.063 13 0 "[ . 1 . 2]" 1
335 1 4 GLU HA 1 40 MET H 0.000 . 3.500 2.422 2.149 2.769 . 0 0 "[ . 1 . 2]" 1
336 1 5 TYR QD 1 40 MET H 0.000 . 5.000 3.136 2.781 3.701 . 0 0 "[ . 1 . 2]" 1
337 1 39 THR HB 1 40 MET H 0.000 . 5.000 4.097 3.656 4.366 . 0 0 "[ . 1 . 2]" 1
338 1 39 THR MG 1 40 MET H 0.000 . 5.000 2.840 2.346 3.212 . 0 0 "[ . 1 . 2]" 1
339 1 2 THR MG 1 41 GLU HA 0.000 . 5.000 3.606 2.716 4.388 . 0 0 "[ . 1 . 2]" 1
340 1 3 VAL QG 1 41 GLU HA 0.000 . 5.000 4.245 3.207 4.804 . 0 0 "[ . 1 . 2]" 1
341 1 41 GLU HA 1 42 VAL QG 0.000 . 5.000 3.457 3.148 3.772 . 0 0 "[ . 1 . 2]" 1
342 1 40 MET HA 1 41 GLU H 0.000 . 2.700 2.318 2.210 2.462 . 0 0 "[ . 1 . 2]" 1
343 1 40 MET HB3 1 41 GLU H 0.000 . 5.000 3.896 3.345 4.333 . 0 0 "[ . 1 . 2]" 1
344 1 40 MET HG3 1 41 GLU H 0.000 . 5.000 4.416 2.632 5.002 0.002 1 0 "[ . 1 . 2]" 1
345 1 40 MET HG2 1 41 GLU H 0.000 . 5.000 3.564 2.488 4.489 . 0 0 "[ . 1 . 2]" 1
346 1 41 GLU H 1 42 VAL QG 0.000 . 5.000 3.691 3.049 4.077 . 0 0 "[ . 1 . 2]" 1
347 1 42 VAL QG 1 51 ALA MB 0.000 . 3.500 1.753 1.519 2.145 . 0 0 "[ . 1 . 2]" 1
348 1 2 THR HA 1 42 VAL H 0.000 . 5.000 3.460 2.896 4.094 . 0 0 "[ . 1 . 2]" 1
349 1 3 VAL HB 1 42 VAL H 0.000 . 5.000 4.748 4.259 5.025 0.025 13 0 "[ . 1 . 2]" 1
350 1 3 VAL H 1 42 VAL H 0.000 . 5.000 4.064 3.335 4.688 . 0 0 "[ . 1 . 2]" 1
351 1 40 MET HB3 1 42 VAL H 0.000 . 5.000 4.829 4.083 5.009 0.009 19 0 "[ . 1 . 2]" 1
352 1 41 GLU HA 1 42 VAL H 0.000 . 2.700 2.240 2.208 2.352 . 0 0 "[ . 1 . 2]" 1
353 1 41 GLU QB 1 42 VAL H 0.000 . 5.000 3.792 3.490 4.052 . 0 0 "[ . 1 . 2]" 1
354 1 42 VAL HA 1 43 ALA H 0.000 . 2.700 2.290 2.206 2.521 . 0 0 "[ . 1 . 2]" 1
355 1 42 VAL QG 1 43 ALA H 0.000 . 5.000 2.827 2.122 3.386 . 0 0 "[ . 1 . 2]" 1
356 1 43 ALA H 1 46 GLU HB3 0.000 . 5.000 3.654 2.386 4.532 . 0 0 "[ . 1 . 2]" 1
357 1 43 ALA H 1 46 GLU HB2 0.000 . 3.500 3.078 2.602 3.468 . 0 0 "[ . 1 . 2]" 1
358 1 43 ALA H 1 46 GLU H 0.000 . 5.000 4.727 4.364 4.978 . 0 0 "[ . 1 . 2]" 1
359 1 43 ALA HA 1 44 GLU H 0.000 . 2.700 2.355 2.211 2.596 . 0 0 "[ . 1 . 2]" 1
360 1 43 ALA MB 1 44 GLU H 0.000 . 5.000 2.844 2.435 3.326 . 0 0 "[ . 1 . 2]" 1
361 1 43 ALA H 1 44 GLU H 0.000 . 5.000 4.644 4.547 4.684 . 0 0 "[ . 1 . 2]" 1
362 1 44 GLU H 1 44 GLU QG 0.000 . 5.000 3.401 2.064 4.015 . 0 0 "[ . 1 . 2]" 1
363 1 43 ALA MB 1 45 GLY H 0.000 . 5.000 4.944 4.773 5.019 0.019 3 0 "[ . 1 . 2]" 1
364 1 44 GLU HA 1 45 GLY H 0.000 . 2.700 2.208 2.201 2.212 . 0 0 "[ . 1 . 2]" 1
365 1 44 GLU QB 1 45 GLY H 0.000 . 5.000 3.739 3.419 3.920 . 0 0 "[ . 1 . 2]" 1
366 1 44 GLU QG 1 45 GLY H 0.000 . 5.000 3.447 2.681 4.376 . 0 0 "[ . 1 . 2]" 1
367 1 45 GLY H 1 46 GLU HB2 0.000 . 5.000 4.271 4.017 4.866 . 0 0 "[ . 1 . 2]" 1
368 1 45 GLY H 1 46 GLU H 0.000 . 3.500 2.178 1.999 2.409 . 0 0 "[ . 1 . 2]" 1
369 1 42 VAL QG 1 46 GLU H 0.000 . 3.500 3.245 2.982 3.489 . 0 0 "[ . 1 . 2]" 1
370 1 43 ALA MB 1 46 GLU H 0.000 . 5.000 4.001 3.601 4.381 . 0 0 "[ . 1 . 2]" 1
371 1 44 GLU HA 1 46 GLU H 0.000 . 3.500 3.516 3.439 3.554 0.054 11 0 "[ . 1 . 2]" 1
372 1 45 GLY HA2 1 46 GLU H 0.000 . 5.000 3.297 3.137 3.408 . 0 0 "[ . 1 . 2]" 1
373 1 46 GLU H 1 105 SER HA 0.000 . 5.000 4.887 4.663 5.010 0.010 17 0 "[ . 1 . 2]" 1
374 1 46 GLU H 1 105 SER HB3 0.000 . 5.000 4.021 2.825 5.471 0.471 5 0 "[ . 1 . 2]" 1
375 1 47 TYR HA 1 48 ILE HG13 0.000 . 5.000 4.155 3.629 5.561 0.561 18 1 "[ . 1 . + 2]" 1
376 1 47 TYR QD 1 105 SER HA 0.000 . 5.000 4.347 3.786 4.990 . 0 0 "[ . 1 . 2]" 1
377 1 47 TYR QD 1 105 SER HB2 0.000 . 5.000 4.613 3.500 5.726 0.726 11 1 "[ . 1+ . 2]" 1
378 1 46 GLU HA 1 47 TYR H 0.000 . 3.500 2.237 2.210 2.345 . 0 0 "[ . 1 . 2]" 1
379 1 46 GLU HB3 1 47 TYR H 0.000 . 5.000 3.806 3.264 4.431 . 0 0 "[ . 1 . 2]" 1
380 1 46 GLU H 1 47 TYR H 0.000 . 5.000 4.417 4.202 4.591 . 0 0 "[ . 1 . 2]" 1
381 1 47 TYR H 1 48 ILE H 0.000 . 5.000 4.568 4.469 4.628 . 0 0 "[ . 1 . 2]" 1
382 1 40 MET ME 1 48 ILE HA 0.000 . 5.000 2.522 1.791 4.597 . 0 0 "[ . 1 . 2]" 1
383 1 48 ILE HA 1 51 ALA MB 0.000 . 3.500 2.559 2.164 3.047 . 0 0 "[ . 1 . 2]" 1
384 1 42 VAL QG 1 48 ILE H 0.000 . 5.000 3.987 3.106 4.703 . 0 0 "[ . 1 . 2]" 1
385 1 47 TYR HA 1 48 ILE H 0.000 . 5.000 2.215 2.203 2.232 . 0 0 "[ . 1 . 2]" 1
386 1 47 TYR HB2 1 48 ILE H 0.000 . 5.000 4.345 4.136 4.543 . 0 0 "[ . 1 . 2]" 1
387 1 48 ILE H 1 48 ILE MD 0.000 . 5.000 3.333 2.715 3.677 . 0 0 "[ . 1 . 2]" 1
388 1 48 ILE H 1 48 ILE HG13 0.000 . 5.000 2.235 1.868 3.478 . 0 0 "[ . 1 . 2]" 1
389 1 48 ILE H 1 48 ILE HG12 0.000 . 5.000 3.143 2.013 3.857 . 0 0 "[ . 1 . 2]" 1
390 1 48 ILE H 1 105 SER HA 0.000 . 5.000 2.877 2.494 3.406 . 0 0 "[ . 1 . 2]" 1
391 1 49 LEU HA 1 52 ALA MB 0.000 . 3.500 3.272 2.897 3.511 0.011 12 0 "[ . 1 . 2]" 1
392 1 47 TYR HB3 1 50 GLU H 0.000 . 5.000 2.964 2.374 3.469 . 0 0 "[ . 1 . 2]" 1
393 1 50 GLU H 1 51 ALA MB 0.000 . 5.000 4.111 4.000 4.226 . 0 0 "[ . 1 . 2]" 1
394 1 51 ALA HA 1 54 ALA MB 0.000 . 5.000 3.274 2.798 3.845 . 0 0 "[ . 1 . 2]" 1
395 1 42 VAL QG 1 51 ALA H 0.000 . 5.000 3.680 3.282 4.253 . 0 0 "[ . 1 . 2]" 1
396 1 48 ILE HA 1 51 ALA H 0.000 . 3.500 3.440 3.280 3.509 0.009 2 0 "[ . 1 . 2]" 1
397 1 50 GLU HA 1 51 ALA H 0.000 . 5.000 3.581 3.554 3.592 . 0 0 "[ . 1 . 2]" 1
398 1 50 GLU QB 1 51 ALA H 0.000 . 5.000 2.421 2.211 2.689 . 0 0 "[ . 1 . 2]" 1
399 1 50 GLU H 1 51 ALA H 0.000 . 2.700 2.626 2.506 2.715 0.015 8 0 "[ . 1 . 2]" 1
400 1 51 ALA H 1 53 GLU H 0.000 . 5.000 3.999 3.707 4.395 . 0 0 "[ . 1 . 2]" 1
401 1 52 ALA HA 1 55 GLN HB2 0.000 . 5.000 2.678 1.988 3.129 . 0 0 "[ . 1 . 2]" 1
402 1 52 ALA HA 1 55 GLN QG 0.000 . 3.500 3.080 2.160 3.522 0.022 7 0 "[ . 1 . 2]" 1
403 1 52 ALA HA 1 57 TYR HB2 0.000 . 3.500 3.494 3.308 3.536 0.036 16 0 "[ . 1 . 2]" 1
404 1 40 MET ME 1 52 ALA MB 0.000 . 3.500 1.850 1.643 2.153 . 0 0 "[ . 1 . 2]" 1
405 1 52 ALA MB 1 59 TRP HE1 0.000 . 3.500 1.884 1.830 2.194 . 0 0 "[ . 1 . 2]" 1
406 1 40 MET HG2 1 52 ALA H 0.000 . 5.000 4.671 3.443 5.603 0.603 13 1 "[ . 1 + . 2]" 1
407 1 42 VAL QG 1 52 ALA H 0.000 . 5.000 3.822 3.429 4.473 . 0 0 "[ . 1 . 2]" 1
408 1 48 ILE HA 1 52 ALA H 0.000 . 5.000 3.756 3.319 4.333 . 0 0 "[ . 1 . 2]" 1
409 1 49 LEU HA 1 52 ALA H 0.000 . 5.000 4.018 3.866 4.184 . 0 0 "[ . 1 . 2]" 1
410 1 50 GLU H 1 52 ALA H 0.000 . 5.000 4.197 3.844 4.687 . 0 0 "[ . 1 . 2]" 1
411 1 51 ALA HA 1 52 ALA H 0.000 . 3.500 3.555 3.540 3.564 0.064 20 0 "[ . 1 . 2]" 1
412 1 51 ALA MB 1 52 ALA H 0.000 . 5.000 2.368 2.068 2.588 . 0 0 "[ . 1 . 2]" 1
413 1 52 ALA H 1 53 GLU H 0.000 . 2.700 2.521 2.406 2.708 0.008 15 0 "[ . 1 . 2]" 1
414 1 52 ALA MB 1 53 GLU HA 0.000 . 5.000 3.805 3.726 3.927 . 0 0 "[ . 1 . 2]" 1
415 1 53 GLU HA 1 57 TYR H 0.000 . 3.500 3.202 2.538 3.526 0.026 15 0 "[ . 1 . 2]" 1
416 1 52 ALA MB 1 53 GLU QB 0.000 . 5.000 3.973 3.722 4.207 . 0 0 "[ . 1 . 2]" 1
417 1 50 GLU HA 1 53 GLU H 0.000 . 5.000 3.456 3.126 3.860 . 0 0 "[ . 1 . 2]" 1
418 1 52 ALA HA 1 53 GLU H 0.000 . 3.500 3.520 3.438 3.561 0.061 15 0 "[ . 1 . 2]" 1
419 1 52 ALA MB 1 53 GLU H 0.000 . 5.000 2.744 2.414 3.061 . 0 0 "[ . 1 . 2]" 1
420 1 53 GLU H 1 54 ALA H 0.000 . 3.500 2.682 2.575 2.950 . 0 0 "[ . 1 . 2]" 1
421 1 53 GLU H 1 55 GLN H 0.000 . 5.000 3.978 3.700 4.104 . 0 0 "[ . 1 . 2]" 1
422 1 53 GLU H 1 57 TYR HB2 0.000 . 5.000 4.028 3.631 4.477 . 0 0 "[ . 1 . 2]" 1
423 1 51 ALA HA 1 54 ALA H 0.000 . 5.000 3.915 3.630 4.149 . 0 0 "[ . 1 . 2]" 1
424 1 52 ALA H 1 54 ALA H 0.000 . 5.000 4.191 3.814 4.753 . 0 0 "[ . 1 . 2]" 1
425 1 53 GLU HA 1 54 ALA H 0.000 . 3.500 3.527 3.504 3.560 0.060 20 0 "[ . 1 . 2]" 1
426 1 53 GLU QB 1 54 ALA H 0.000 . 5.000 2.655 2.231 2.822 . 0 0 "[ . 1 . 2]" 1
427 1 54 ALA H 1 55 GLN H 0.000 . 2.700 2.564 2.455 2.650 . 0 0 "[ . 1 . 2]" 1
428 1 52 ALA HA 1 55 GLN H 0.000 . 3.500 3.411 3.249 3.518 0.018 11 0 "[ . 1 . 2]" 1
429 1 53 GLU HA 1 55 GLN H 0.000 . 5.000 3.745 3.584 3.975 . 0 0 "[ . 1 . 2]" 1
430 1 54 ALA MB 1 55 GLN H 0.000 . 5.000 3.055 2.851 3.286 . 0 0 "[ . 1 . 2]" 1
431 1 55 GLN H 1 55 GLN HG2 0.000 . 5.000 3.175 2.185 4.566 . 0 0 "[ . 1 . 2]" 1
432 1 55 GLN H 1 56 GLY H 0.000 . 2.700 2.195 2.040 2.376 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN H 1 57 TYR QD 0.000 . 5.000 4.180 3.352 4.954 . 0 0 "[ . 1 . 2]" 1
434 1 55 GLN H 1 57 TYR H 0.000 . 3.500 3.375 3.173 3.514 0.014 17 0 "[ . 1 . 2]" 1
435 1 52 ALA HA 1 56 GLY H 0.000 . 5.000 4.634 3.967 4.986 . 0 0 "[ . 1 . 2]" 1
436 1 53 GLU HA 1 56 GLY H 0.000 . 3.500 3.344 3.080 3.523 0.023 20 0 "[ . 1 . 2]" 1
437 1 54 ALA HA 1 56 GLY H 0.000 . 5.000 4.270 3.924 4.730 . 0 0 "[ . 1 . 2]" 1
438 1 54 ALA H 1 56 GLY H 0.000 . 5.000 4.157 3.969 4.317 . 0 0 "[ . 1 . 2]" 1
439 1 55 GLN HA 1 56 GLY H 0.000 . 5.000 3.490 3.413 3.555 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLN HB2 1 56 GLY H 0.000 . 3.500 3.044 2.739 3.469 . 0 0 "[ . 1 . 2]" 1
441 1 55 GLN HB3 1 56 GLY H 0.000 . 5.000 3.730 3.107 3.961 . 0 0 "[ . 1 . 2]" 1
442 1 56 GLY H 1 57 TYR HB2 0.000 . 5.000 3.956 3.750 4.517 . 0 0 "[ . 1 . 2]" 1
443 1 56 GLY H 1 57 TYR QD 0.000 . 5.000 4.181 3.562 4.642 . 0 0 "[ . 1 . 2]" 1
444 1 56 GLY H 1 57 TYR H 0.000 . 2.700 1.944 1.845 2.211 . 0 0 "[ . 1 . 2]" 1
445 1 52 ALA MB 1 57 TYR HB2 0.000 . 3.500 1.960 1.839 2.351 . 0 0 "[ . 1 . 2]" 1
446 1 57 TYR HB2 1 59 TRP HE1 0.000 . 2.700 1.960 1.832 2.808 0.108 15 0 "[ . 1 . 2]" 1
447 1 52 ALA MB 1 57 TYR HB3 0.000 . 3.500 2.717 2.472 3.447 . 0 0 "[ . 1 . 2]" 1
448 1 57 TYR HB3 1 59 TRP HE1 0.000 . 3.500 2.096 1.857 3.323 . 0 0 "[ . 1 . 2]" 1
449 1 35 GLU HA 1 57 TYR QD 0.000 . 5.000 2.337 1.853 3.679 . 0 0 "[ . 1 . 2]" 1
450 1 35 GLU QB 1 57 TYR QD 0.000 . 5.000 3.829 2.112 4.955 . 0 0 "[ . 1 . 2]" 1
451 1 52 ALA HA 1 57 TYR QD 0.000 . 5.000 2.114 1.868 2.906 . 0 0 "[ . 1 . 2]" 1
452 1 52 ALA MB 1 57 TYR QD 0.000 . 2.700 1.839 1.772 1.972 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLN HB2 1 57 TYR QD 0.000 . 5.000 2.888 2.025 3.906 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLN HB3 1 57 TYR QD 0.000 . 5.000 3.742 2.174 4.510 . 0 0 "[ . 1 . 2]" 1
455 1 35 GLU HA 1 57 TYR QE 0.000 . 5.000 3.284 1.872 4.613 . 0 0 "[ . 1 . 2]" 1
456 1 52 ALA MB 1 57 TYR QE 0.000 . 3.500 3.533 3.509 3.578 0.078 15 0 "[ . 1 . 2]" 1
457 1 55 GLN HB2 1 57 TYR QE 0.000 . 5.000 3.218 2.421 4.180 . 0 0 "[ . 1 . 2]" 1
458 1 55 GLN HB3 1 57 TYR QE 0.000 . 5.000 3.147 2.308 4.124 . 0 0 "[ . 1 . 2]" 1
459 1 52 ALA HA 1 57 TYR H 0.000 . 5.000 4.288 3.557 4.639 . 0 0 "[ . 1 . 2]" 1
460 1 52 ALA MB 1 57 TYR H 0.000 . 5.000 3.770 3.515 4.133 . 0 0 "[ . 1 . 2]" 1
461 1 56 GLY HA3 1 57 TYR H 0.000 . 5.000 3.203 2.946 3.392 . 0 0 "[ . 1 . 2]" 1
462 1 56 GLY HA2 1 57 TYR H 0.000 . 5.000 3.366 3.182 3.535 . 0 0 "[ . 1 . 2]" 1
463 1 57 TYR H 1 57 TYR QD 0.000 . 5.000 3.068 2.490 3.443 . 0 0 "[ . 1 . 2]" 1
464 1 57 TYR HA 1 58 ASP H 0.000 . 5.000 2.343 2.209 2.723 . 0 0 "[ . 1 . 2]" 1
465 1 57 TYR HB2 1 58 ASP H 0.000 . 5.000 3.990 3.370 4.348 . 0 0 "[ . 1 . 2]" 1
466 1 57 TYR HB3 1 58 ASP H 0.000 . 5.000 2.989 2.031 3.836 . 0 0 "[ . 1 . 2]" 1
467 1 57 TYR QD 1 58 ASP H 0.000 . 5.000 3.798 3.269 4.515 . 0 0 "[ . 1 . 2]" 1
468 1 57 TYR H 1 58 ASP H 0.000 . 5.000 4.593 4.355 4.680 . 0 0 "[ . 1 . 2]" 1
469 1 59 TRP HA 1 115 TYR QE 0.000 . 5.000 3.525 2.986 4.003 . 0 0 "[ . 1 . 2]" 1
470 1 49 LEU QB 1 59 TRP HD1 0.000 . 5.000 4.929 4.682 5.034 0.034 6 0 "[ . 1 . 2]" 1
471 1 52 ALA MB 1 59 TRP HD1 0.000 . 5.000 3.880 2.647 4.052 . 0 0 "[ . 1 . 2]" 1
472 1 5 TYR HB2 1 59 TRP HH2 0.000 . 3.500 2.818 2.145 3.531 0.031 15 0 "[ . 1 . 2]" 1
473 1 5 TYR HB3 1 59 TRP HH2 0.000 . 5.000 2.570 1.965 5.020 0.020 15 0 "[ . 1 . 2]" 1
474 1 57 TYR HB3 1 59 TRP HH2 0.000 . 5.000 4.932 3.430 5.031 0.031 17 0 "[ . 1 . 2]" 1
475 1 58 ASP HA 1 59 TRP H 0.000 . 2.700 2.260 2.218 2.636 . 0 0 "[ . 1 . 2]" 1
476 1 58 ASP HB3 1 59 TRP H 0.000 . 5.000 3.973 3.308 4.345 . 0 0 "[ . 1 . 2]" 1
477 1 59 TRP H 1 59 TRP HD1 0.000 . 3.500 2.280 2.100 3.460 . 0 0 "[ . 1 . 2]" 1
478 1 5 TYR HB2 1 59 TRP HZ2 0.000 . 5.000 4.184 2.071 4.832 . 0 0 "[ . 1 . 2]" 1
479 1 5 TYR HB3 1 59 TRP HZ2 0.000 . 5.000 3.972 2.894 4.614 . 0 0 "[ . 1 . 2]" 1
480 1 5 TYR QD 1 59 TRP HZ2 0.000 . 5.000 4.112 2.922 4.827 . 0 0 "[ . 1 . 2]" 1
481 1 52 ALA MB 1 59 TRP HZ2 0.000 . 5.000 2.050 1.802 4.054 . 0 0 "[ . 1 . 2]" 1
482 1 57 TYR HB3 1 59 TRP HZ2 0.000 . 5.000 2.814 2.521 2.882 . 0 0 "[ . 1 . 2]" 1
483 1 57 TYR QD 1 59 TRP HZ2 0.000 . 5.000 3.241 2.007 3.867 . 0 0 "[ . 1 . 2]" 1
484 1 72 ALA HA 1 73 SER H 0.000 . 5.000 2.305 2.274 2.346 . 0 0 "[ . 1 . 2]" 1
485 1 72 ALA HA 1 98 VAL QG 0.000 . 5.000 3.183 2.521 4.688 . 0 0 "[ . 1 . 2]" 1
486 1 72 ALA HA 1 117 ALA MB 0.000 . 5.000 3.778 3.376 4.039 . 0 0 "[ . 1 . 2]" 1
487 1 72 ALA MB 1 73 SER HA 0.000 . 5.000 4.022 3.924 4.081 . 0 0 "[ . 1 . 2]" 1
488 1 73 SER HA 1 113 ILE MD 0.000 . 5.000 4.457 3.805 4.737 . 0 0 "[ . 1 . 2]" 1
489 1 73 SER HA 1 113 ILE HG12 0.000 . 5.000 4.748 4.211 5.009 0.009 8 0 "[ . 1 . 2]" 1
490 1 73 SER HA 1 115 TYR HA 0.000 . 5.000 3.528 2.932 4.067 . 0 0 "[ . 1 . 2]" 1
491 1 73 SER HA 1 117 ALA MB 0.000 . 5.000 1.870 1.801 2.120 . 0 0 "[ . 1 . 2]" 1
492 1 73 SER HA 1 117 ALA H 0.000 . 5.000 2.993 2.690 3.428 . 0 0 "[ . 1 . 2]" 1
493 1 74 ILE HA 1 75 VAL MG1 0.000 . 5.000 3.713 3.380 4.781 . 0 0 "[ . 1 . 2]" 1
494 1 74 ILE HA 1 97 ASP QB 0.000 . 5.000 2.549 2.316 2.675 . 0 0 "[ . 1 . 2]" 1
495 1 74 ILE HA 1 98 VAL HA 0.000 . 3.500 2.765 2.635 2.873 . 0 0 "[ . 1 . 2]" 1
496 1 74 ILE HA 1 113 ILE MD 0.000 . 5.000 4.490 3.578 5.013 0.013 14 0 "[ . 1 . 2]" 1
497 1 74 ILE HA 1 113 ILE HG13 0.000 . 5.000 4.166 3.956 4.405 . 0 0 "[ . 1 . 2]" 1
498 1 74 ILE HB 1 114 VAL H 0.000 . 3.500 2.853 2.602 3.104 . 0 0 "[ . 1 . 2]" 1
499 1 74 ILE MD 1 98 VAL HA 0.000 . 2.700 2.706 2.623 2.742 0.042 1 0 "[ . 1 . 2]" 1
500 1 73 SER HA 1 74 ILE H 0.000 . 2.700 2.761 2.311 2.818 0.118 13 0 "[ . 1 . 2]" 1
501 1 73 SER QB 1 74 ILE H 0.000 . 5.000 2.162 1.851 3.038 . 0 0 "[ . 1 . 2]" 1
502 1 74 ILE H 1 97 ASP QB 0.000 . 5.000 4.873 4.784 4.922 . 0 0 "[ . 1 . 2]" 1
503 1 74 ILE H 1 113 ILE HA 0.000 . 5.000 4.226 3.932 4.750 . 0 0 "[ . 1 . 2]" 1
504 1 74 ILE H 1 113 ILE MD 0.000 . 3.500 3.276 2.908 3.544 0.044 19 0 "[ . 1 . 2]" 1
505 1 74 ILE H 1 114 VAL HB 0.000 . 3.500 3.314 2.784 3.541 0.041 7 0 "[ . 1 . 2]" 1
506 1 74 ILE H 1 114 VAL H 0.000 . 2.700 2.571 2.073 2.741 0.041 19 0 "[ . 1 . 2]" 1
507 1 74 ILE H 1 115 TYR HA 0.000 . 5.000 4.316 4.041 4.577 . 0 0 "[ . 1 . 2]" 1
508 1 74 ILE H 1 117 ALA MB 0.000 . 5.000 3.779 3.182 4.227 . 0 0 "[ . 1 . 2]" 1
509 1 74 ILE MG 1 75 VAL HA 0.000 . 5.000 4.461 4.250 4.791 . 0 0 "[ . 1 . 2]" 1
510 1 75 VAL HA 1 77 GLU H 0.000 . 3.500 3.509 3.404 3.554 0.054 6 0 "[ . 1 . 2]" 1
511 1 75 VAL HA 1 113 ILE HB 0.000 . 3.500 2.077 1.874 2.362 . 0 0 "[ . 1 . 2]" 1
512 1 75 VAL HA 1 113 ILE HG13 0.000 . 2.700 2.351 1.864 2.746 0.046 19 0 "[ . 1 . 2]" 1
513 1 75 VAL HA 1 113 ILE HG12 0.000 . 5.000 3.709 3.181 4.045 . 0 0 "[ . 1 . 2]" 1
514 1 75 VAL HA 1 113 ILE MG 0.000 . 5.000 3.684 3.563 3.874 . 0 0 "[ . 1 . 2]" 1
515 1 74 ILE HA 1 75 VAL H 0.000 . 2.700 2.447 2.290 2.542 . 0 0 "[ . 1 . 2]" 1
516 1 74 ILE MG 1 75 VAL H 0.000 . 5.000 3.678 3.375 3.851 . 0 0 "[ . 1 . 2]" 1
517 1 75 VAL H 1 97 ASP QB 0.000 . 5.000 2.761 2.294 3.092 . 0 0 "[ . 1 . 2]" 1
518 1 75 VAL H 1 98 VAL HA 0.000 . 3.500 3.554 3.497 3.629 0.129 19 0 "[ . 1 . 2]" 1
519 1 75 VAL H 1 113 ILE MD 0.000 . 5.000 2.923 1.932 3.851 . 0 0 "[ . 1 . 2]" 1
520 1 74 ILE MG 1 76 LYS HA 0.000 . 5.000 3.760 3.479 3.995 . 0 0 "[ . 1 . 2]" 1
521 1 75 VAL MG1 1 76 LYS HA 0.000 . 5.000 4.059 3.596 4.358 . 0 0 "[ . 1 . 2]" 1
522 1 75 VAL MG2 1 76 LYS HA 0.000 . 5.000 4.344 3.897 5.073 0.073 6 0 "[ . 1 . 2]" 1
523 1 75 VAL HA 1 76 LYS H 0.000 . 2.700 2.226 2.206 2.246 . 0 0 "[ . 1 . 2]" 1
524 1 75 VAL MG1 1 76 LYS H 0.000 . 5.000 3.932 3.210 4.183 . 0 0 "[ . 1 . 2]" 1
525 1 75 VAL MG2 1 76 LYS H 0.000 . 5.000 2.976 2.771 3.201 . 0 0 "[ . 1 . 2]" 1
526 1 76 LYS H 1 77 GLU H 0.000 . 2.700 2.371 2.189 2.498 . 0 0 "[ . 1 . 2]" 1
527 1 76 LYS H 1 112 LYS H 0.000 . 5.000 4.223 4.039 4.411 . 0 0 "[ . 1 . 2]" 1
528 1 76 LYS H 1 113 ILE HB 0.000 . 5.000 3.358 3.155 3.598 . 0 0 "[ . 1 . 2]" 1
529 1 76 LYS H 1 113 ILE H 0.000 . 3.500 3.585 3.547 3.621 0.121 6 0 "[ . 1 . 2]" 1
530 1 76 LYS H 1 114 VAL H 0.000 . 5.000 3.820 3.585 4.039 . 0 0 "[ . 1 . 2]" 1
531 1 75 VAL MG2 1 77 GLU HA 0.000 . 5.000 3.761 3.281 4.934 . 0 0 "[ . 1 . 2]" 1
532 1 75 VAL MG2 1 77 GLU H 0.000 . 5.000 2.247 1.888 3.109 . 0 0 "[ . 1 . 2]" 1
533 1 76 LYS HA 1 77 GLU H 0.000 . 5.000 3.402 3.293 3.473 . 0 0 "[ . 1 . 2]" 1
534 1 76 LYS HB2 1 77 GLU H 0.000 . 5.000 3.845 3.161 4.286 . 0 0 "[ . 1 . 2]" 1
535 1 77 GLU H 1 112 LYS H 0.000 . 3.500 2.994 2.670 3.379 . 0 0 "[ . 1 . 2]" 1
536 1 77 GLU H 1 113 ILE HA 0.000 . 5.000 3.993 3.903 4.078 . 0 0 "[ . 1 . 2]" 1
537 1 78 GLY HA2 1 108 ALA MB 0.000 . 3.500 3.188 2.952 3.433 . 0 0 "[ . 1 . 2]" 1
538 1 78 GLY HA2 1 112 LYS H 0.000 . 5.000 3.384 3.082 3.726 . 0 0 "[ . 1 . 2]" 1
539 1 77 GLU HA 1 78 GLY H 0.000 . 5.000 2.400 2.221 2.637 . 0 0 "[ . 1 . 2]" 1
540 1 77 GLU HB3 1 78 GLY H 0.000 . 5.000 3.152 2.694 3.831 . 0 0 "[ . 1 . 2]" 1
541 1 78 GLY H 1 111 VAL HA 0.000 . 5.000 4.280 3.625 4.731 . 0 0 "[ . 1 . 2]" 1
542 1 75 VAL MG1 1 79 GLU HA 0.000 . 5.000 4.726 3.797 5.030 0.030 11 0 "[ . 1 . 2]" 1
543 1 75 VAL MG2 1 79 GLU HA 0.000 . 5.000 3.678 2.935 4.138 . 0 0 "[ . 1 . 2]" 1
544 1 79 GLU HA 1 80 ILE HB 0.000 . 5.000 4.453 4.326 4.643 . 0 0 "[ . 1 . 2]" 1
545 1 79 GLU HA 1 80 ILE HG13 0.000 . 5.000 3.745 3.110 4.143 . 0 0 "[ . 1 . 2]" 1
546 1 79 GLU HA 1 111 VAL MG1 0.000 . 5.000 3.958 3.437 5.654 0.654 4 1 "[ +. 1 . 2]" 1
547 1 78 GLY HA2 1 79 GLU H 0.000 . 3.500 2.467 2.243 2.771 . 0 0 "[ . 1 . 2]" 1
548 1 78 GLY HA3 1 79 GLU H 0.000 . 5.000 2.785 2.469 3.099 . 0 0 "[ . 1 . 2]" 1
549 1 79 GLU H 1 79 GLU QG 0.000 . 5.000 4.036 3.834 4.216 . 0 0 "[ . 1 . 2]" 1
550 1 79 GLU H 1 80 ILE HG13 0.000 . 5.000 4.191 3.694 4.739 . 0 0 "[ . 1 . 2]" 1
551 1 79 GLU H 1 107 ALA H 0.000 . 5.000 4.291 3.999 4.628 . 0 0 "[ . 1 . 2]" 1
552 1 79 GLU H 1 108 ALA MB 0.000 . 2.700 2.067 1.777 2.510 . 0 0 "[ . 1 . 2]" 1
553 1 79 GLU H 1 111 VAL HA 0.000 . 5.000 4.165 3.627 4.709 . 0 0 "[ . 1 . 2]" 1
554 1 79 GLU H 1 111 VAL MG1 0.000 . 5.000 2.671 1.903 4.110 . 0 0 "[ . 1 . 2]" 1
555 1 80 ILE HA 1 106 PRO HA 0.000 . 2.700 2.321 1.922 2.725 0.025 20 0 "[ . 1 . 2]" 1
556 1 80 ILE HA 1 111 VAL MG2 0.000 . 5.000 4.270 3.644 4.676 . 0 0 "[ . 1 . 2]" 1
557 1 79 GLU HA 1 80 ILE H 0.000 . 2.700 2.251 2.209 2.386 . 0 0 "[ . 1 . 2]" 1
558 1 80 ILE H 1 99 ARG HE 0.000 . 5.000 3.836 2.885 4.890 . 0 0 "[ . 1 . 2]" 1
559 1 80 ILE HA 1 81 ASP H 0.000 . 2.700 2.279 2.221 2.421 . 0 0 "[ . 1 . 2]" 1
560 1 80 ILE HG12 1 81 ASP H 0.000 . 5.000 4.364 3.934 4.729 . 0 0 "[ . 1 . 2]" 1
561 1 80 ILE MG 1 81 ASP H 0.000 . 5.000 2.299 1.933 2.650 . 0 0 "[ . 1 . 2]" 1
562 1 81 ASP H 1 105 SER H 0.000 . 3.500 3.324 2.944 3.498 . 0 0 "[ . 1 . 2]" 1
563 1 81 ASP H 1 106 PRO HA 0.000 . 3.500 3.343 3.035 3.506 0.006 17 0 "[ . 1 . 2]" 1
564 1 81 ASP H 1 107 ALA MB 0.000 . 5.000 2.859 2.347 3.493 . 0 0 "[ . 1 . 2]" 1
565 1 81 ASP H 1 107 ALA H 0.000 . 5.000 3.396 2.866 3.919 . 0 0 "[ . 1 . 2]" 1
566 1 80 ILE MG 1 82 MET HA 0.000 . 5.000 4.268 3.849 4.927 . 0 0 "[ . 1 . 2]" 1
567 1 82 MET HA 1 104 GLY HA3 0.000 . 3.500 2.668 1.909 3.342 . 0 0 "[ . 1 . 2]" 1
568 1 82 MET HA 1 104 GLY HA2 0.000 . 5.000 3.941 3.395 4.856 . 0 0 "[ . 1 . 2]" 1
569 1 81 ASP HA 1 82 MET H 0.000 . 2.700 2.281 2.214 2.408 . 0 0 "[ . 1 . 2]" 1
570 1 82 MET HA 1 83 ASP H 0.000 . 2.700 2.503 2.215 2.715 0.015 15 0 "[ . 1 . 2]" 1
571 1 83 ASP H 1 104 GLY HA3 0.000 . 5.000 4.365 3.685 4.778 . 0 0 "[ . 1 . 2]" 1
572 1 83 ASP HA 1 84 MET H 0.000 . 2.700 2.501 2.235 2.726 0.026 4 0 "[ . 1 . 2]" 1
573 1 83 ASP HB2 1 84 MET H 0.000 . 5.000 3.646 2.039 4.335 . 0 0 "[ . 1 . 2]" 1
574 1 83 ASP HB3 1 84 MET H 0.000 . 3.500 2.856 2.124 4.068 0.568 6 1 "[ .+ 1 . 2]" 1
575 1 84 MET HA 1 85 GLN H 0.000 . 2.700 2.352 2.210 2.603 . 0 0 "[ . 1 . 2]" 1
576 1 88 LEU HA 1 92 GLU HB2 0.000 . 5.000 4.523 3.947 4.908 . 0 0 "[ . 1 . 2]" 1
577 1 87 ILE HA 1 88 LEU H 0.000 . 5.000 3.509 3.488 3.570 . 0 0 "[ . 1 . 2]" 1
578 1 88 LEU HA 1 89 SER H 0.000 . 2.700 2.546 2.263 2.712 0.012 10 0 "[ . 1 . 2]" 1
579 1 89 SER H 1 92 GLU QB 0.000 . 2.700 2.366 2.045 2.711 0.011 1 0 "[ . 1 . 2]" 1
580 1 89 SER H 1 92 GLU HB2 0.000 . 5.000 2.426 2.071 2.750 . 0 0 "[ . 1 . 2]" 1
581 1 89 SER H 1 92 GLU H 0.000 . 5.000 3.680 3.280 4.091 . 0 0 "[ . 1 . 2]" 1
582 1 90 ASP HA 1 93 VAL HB 0.000 . 3.500 3.175 2.339 3.698 0.198 20 0 "[ . 1 . 2]" 1
583 1 90 ASP HA 1 93 VAL QG 0.000 . 5.000 2.386 1.555 3.277 . 0 0 "[ . 1 . 2]" 1
584 1 89 SER HA 1 90 ASP H 0.000 . 2.700 2.362 2.227 2.558 . 0 0 "[ . 1 . 2]" 1
585 1 89 SER QB 1 90 ASP H 0.000 . 5.000 3.096 2.518 3.609 . 0 0 "[ . 1 . 2]" 1
586 1 90 ASP H 1 91 GLU H 0.000 . 3.500 2.813 2.666 2.973 . 0 0 "[ . 1 . 2]" 1
587 1 90 ASP H 1 92 GLU H 0.000 . 5.000 4.154 3.897 4.598 . 0 0 "[ . 1 . 2]" 1
588 1 89 SER QB 1 91 GLU H 0.000 . 5.000 3.040 2.247 4.126 . 0 0 "[ . 1 . 2]" 1
589 1 90 ASP HA 1 91 GLU H 0.000 . 3.500 3.554 3.508 3.574 0.074 14 0 "[ . 1 . 2]" 1
590 1 91 GLU H 1 92 GLU H 0.000 . 2.700 2.718 2.687 2.755 0.055 20 0 "[ . 1 . 2]" 1
591 1 89 SER QB 1 92 GLU H 0.000 . 5.000 2.970 2.560 3.792 . 0 0 "[ . 1 . 2]" 1
592 1 90 ASP HA 1 92 GLU H 0.000 . 5.000 3.953 3.687 4.269 . 0 0 "[ . 1 . 2]" 1
593 1 91 GLU HA 1 92 GLU H 0.000 . 5.000 3.511 3.459 3.555 . 0 0 "[ . 1 . 2]" 1
594 1 91 GLU QB 1 92 GLU H 0.000 . 5.000 2.848 2.598 3.592 . 0 0 "[ . 1 . 2]" 1
595 1 92 GLU H 1 93 VAL QG 0.000 . 5.000 3.812 3.097 4.300 . 0 0 "[ . 1 . 2]" 1
596 1 93 VAL HA 1 97 ASP HA 0.000 . 5.000 2.896 2.460 3.400 . 0 0 "[ . 1 . 2]" 1
597 1 89 SER H 1 93 VAL H 0.000 . 5.000 4.742 4.336 5.007 0.007 8 0 "[ . 1 . 2]" 1
598 1 90 ASP HA 1 93 VAL H 0.000 . 3.500 3.241 2.867 3.471 . 0 0 "[ . 1 . 2]" 1
599 1 92 GLU HA 1 93 VAL H 0.000 . 5.000 3.544 3.504 3.572 . 0 0 "[ . 1 . 2]" 1
600 1 92 GLU HB2 1 93 VAL H 0.000 . 5.000 3.166 2.700 3.491 . 0 0 "[ . 1 . 2]" 1
601 1 93 VAL H 1 94 GLU H 0.000 . 3.500 2.470 2.392 2.533 . 0 0 "[ . 1 . 2]" 1
602 1 93 VAL H 1 98 VAL H 0.000 . 5.000 4.531 4.228 4.788 . 0 0 "[ . 1 . 2]" 1
603 1 90 ASP HA 1 94 GLU H 0.000 . 5.000 4.422 3.842 4.658 . 0 0 "[ . 1 . 2]" 1
604 1 91 GLU HA 1 94 GLU H 0.000 . 3.500 3.444 3.262 3.581 0.081 20 0 "[ . 1 . 2]" 1
605 1 93 VAL HA 1 94 GLU H 0.000 . 5.000 3.485 3.417 3.553 . 0 0 "[ . 1 . 2]" 1
606 1 93 VAL QG 1 94 GLU H 0.000 . 5.000 2.859 2.049 3.524 . 0 0 "[ . 1 . 2]" 1
607 1 94 GLU H 1 95 GLU H 0.000 . 3.500 2.246 1.988 2.458 . 0 0 "[ . 1 . 2]" 1
608 1 94 GLU H 1 96 LYS H 0.000 . 5.000 3.547 3.147 4.141 . 0 0 "[ . 1 . 2]" 1
609 1 94 GLU QB 1 95 GLU HA 0.000 . 5.000 4.089 3.903 4.420 . 0 0 "[ . 1 . 2]" 1
610 1 91 GLU HA 1 95 GLU H 0.000 . 3.500 3.449 3.222 3.549 0.049 6 0 "[ . 1 . 2]" 1
611 1 91 GLU QB 1 95 GLU H 0.000 . 5.000 4.516 4.234 4.933 . 0 0 "[ . 1 . 2]" 1
612 1 92 GLU HA 1 95 GLU H 0.000 . 5.000 3.636 3.463 3.950 . 0 0 "[ . 1 . 2]" 1
613 1 94 GLU HA 1 95 GLU H 0.000 . 5.000 3.557 3.528 3.592 . 0 0 "[ . 1 . 2]" 1
614 1 94 GLU QB 1 95 GLU H 0.000 . 5.000 2.620 2.293 2.794 . 0 0 "[ . 1 . 2]" 1
615 1 95 GLU H 1 96 LYS H 0.000 . 3.500 2.285 2.123 2.572 . 0 0 "[ . 1 . 2]" 1
616 1 96 LYS HA 1 98 VAL QG 0.000 . 5.000 3.923 3.383 4.779 . 0 0 "[ . 1 . 2]" 1
617 1 92 GLU HA 1 96 LYS H 0.000 . 3.500 2.701 2.219 3.323 . 0 0 "[ . 1 . 2]" 1
618 1 95 GLU HA 1 96 LYS H 0.000 . 5.000 3.534 3.418 3.591 . 0 0 "[ . 1 . 2]" 1
619 1 95 GLU QB 1 96 LYS H 0.000 . 5.000 2.665 2.056 3.112 . 0 0 "[ . 1 . 2]" 1
620 1 96 LYS H 1 97 ASP H 0.000 . 2.700 2.145 1.871 2.453 . 0 0 "[ . 1 . 2]" 1
621 1 75 VAL MG1 1 97 ASP HA 0.000 . 5.000 2.337 1.925 3.065 . 0 0 "[ . 1 . 2]" 1
622 1 92 GLU HA 1 97 ASP H 0.000 . 5.000 4.298 4.014 4.643 . 0 0 "[ . 1 . 2]" 1
623 1 93 VAL HA 1 97 ASP H 0.000 . 5.000 3.214 2.652 3.650 . 0 0 "[ . 1 . 2]" 1
624 1 94 GLU H 1 97 ASP H 0.000 . 5.000 3.778 3.493 4.141 . 0 0 "[ . 1 . 2]" 1
625 1 95 GLU H 1 97 ASP H 0.000 . 3.500 3.408 3.212 3.527 0.027 13 0 "[ . 1 . 2]" 1
626 1 96 LYS QB 1 97 ASP H 0.000 . 5.000 3.160 2.999 3.298 . 0 0 "[ . 1 . 2]" 1
627 1 97 ASP H 1 98 VAL QG 0.000 . 5.000 3.843 3.411 4.247 . 0 0 "[ . 1 . 2]" 1
628 1 97 ASP H 1 98 VAL H 0.000 . 3.500 2.779 2.682 2.986 . 0 0 "[ . 1 . 2]" 1
629 1 92 GLU HA 1 98 VAL H 0.000 . 5.000 4.396 4.063 4.740 . 0 0 "[ . 1 . 2]" 1
630 1 93 VAL HA 1 98 VAL H 0.000 . 2.700 2.575 2.114 2.726 0.026 11 0 "[ . 1 . 2]" 1
631 1 93 VAL QG 1 98 VAL H 0.000 . 5.000 3.764 3.149 4.076 . 0 0 "[ . 1 . 2]" 1
632 1 96 LYS QB 1 98 VAL H 0.000 . 5.000 2.578 2.365 3.101 . 0 0 "[ . 1 . 2]" 1
633 1 96 LYS H 1 98 VAL H 0.000 . 5.000 3.823 3.612 4.156 . 0 0 "[ . 1 . 2]" 1
634 1 97 ASP HA 1 98 VAL H 0.000 . 3.500 3.043 2.883 3.136 . 0 0 "[ . 1 . 2]" 1
635 1 93 VAL QG 1 99 ARG HA 0.000 . 5.000 3.636 2.917 4.529 . 0 0 "[ . 1 . 2]" 1
636 1 98 VAL QG 1 99 ARG HA 0.000 . 5.000 3.329 3.088 3.777 . 0 0 "[ . 1 . 2]" 1
637 1 72 ALA HA 1 99 ARG H 0.000 . 5.000 3.463 2.984 4.144 . 0 0 "[ . 1 . 2]" 1
638 1 73 SER QB 1 99 ARG H 0.000 . 5.000 3.237 2.491 4.243 . 0 0 "[ . 1 . 2]" 1
639 1 74 ILE HA 1 99 ARG H 0.000 . 5.000 4.659 4.225 4.956 . 0 0 "[ . 1 . 2]" 1
640 1 98 VAL HA 1 99 ARG H 0.000 . 2.700 2.322 2.184 2.448 . 0 0 "[ . 1 . 2]" 1
641 1 98 VAL QG 1 99 ARG H 0.000 . 5.000 2.424 1.818 3.640 . 0 0 "[ . 1 . 2]" 1
642 1 99 ARG H 1 113 ILE MD 0.000 . 5.000 4.334 3.960 4.968 . 0 0 "[ . 1 . 2]" 1
643 1 80 ILE MG 1 104 GLY HA3 0.000 . 5.000 3.562 3.086 4.001 . 0 0 "[ . 1 . 2]" 1
644 1 82 MET QB 1 104 GLY HA3 0.000 . 5.000 3.703 1.870 4.976 . 0 0 "[ . 1 . 2]" 1
645 1 42 VAL QG 1 105 SER HA 0.000 . 5.000 3.986 3.242 4.725 . 0 0 "[ . 1 . 2]" 1
646 1 47 TYR HA 1 105 SER HA 0.000 . 3.500 3.251 2.844 3.509 0.009 13 0 "[ . 1 . 2]" 1
647 1 48 ILE MD 1 105 SER HA 0.000 . 5.000 3.477 2.443 4.203 . 0 0 "[ . 1 . 2]" 1
648 1 80 ILE MG 1 105 SER HA 0.000 . 5.000 3.584 3.238 3.874 . 0 0 "[ . 1 . 2]" 1
649 1 80 ILE MG 1 105 SER H 0.000 . 5.000 2.735 2.251 3.199 . 0 0 "[ . 1 . 2]" 1
650 1 81 ASP HB2 1 105 SER H 0.000 . 5.000 4.477 3.909 4.989 . 0 0 "[ . 1 . 2]" 1
651 1 82 MET HA 1 105 SER H 0.000 . 5.000 3.544 2.964 4.000 . 0 0 "[ . 1 . 2]" 1
652 1 104 GLY HA3 1 105 SER H 0.000 . 2.700 2.261 2.213 2.335 . 0 0 "[ . 1 . 2]" 1
653 1 104 GLY HA2 1 105 SER H 0.000 . 5.000 3.045 2.914 3.135 . 0 0 "[ . 1 . 2]" 1
654 1 3 VAL QG 1 106 PRO HA 0.000 . 5.000 3.859 3.378 4.508 . 0 0 "[ . 1 . 2]" 1
655 1 48 ILE MD 1 106 PRO HA 0.000 . 5.000 3.828 2.713 4.618 . 0 0 "[ . 1 . 2]" 1
656 1 80 ILE HG13 1 106 PRO HA 0.000 . 5.000 3.747 3.150 4.569 . 0 0 "[ . 1 . 2]" 1
657 1 80 ILE HG12 1 106 PRO HA 0.000 . 5.000 2.738 1.906 3.916 . 0 0 "[ . 1 . 2]" 1
658 1 80 ILE MG 1 106 PRO HA 0.000 . 5.000 2.881 1.953 3.333 . 0 0 "[ . 1 . 2]" 1
659 1 106 PRO HA 1 107 ALA MB 0.000 . 5.000 3.885 3.798 3.988 . 0 0 "[ . 1 . 2]" 1
660 1 106 PRO HA 1 111 VAL MG1 0.000 . 5.000 3.936 3.227 4.559 . 0 0 "[ . 1 . 2]" 1
661 1 106 PRO HA 1 111 VAL MG2 0.000 . 5.000 3.753 3.077 4.193 . 0 0 "[ . 1 . 2]" 1
662 1 79 GLU QB 1 107 ALA MB 0.000 . 3.500 3.194 2.328 3.461 . 0 0 "[ . 1 . 2]" 1
663 1 79 GLU QG 1 107 ALA MB 0.000 . 3.500 2.815 2.091 3.499 . 0 0 "[ . 1 . 2]" 1
664 1 80 ILE HA 1 107 ALA MB 0.000 . 3.500 3.094 2.448 3.456 . 0 0 "[ . 1 . 2]" 1
665 1 81 ASP HA 1 107 ALA MB 0.000 . 5.000 3.658 2.680 4.573 . 0 0 "[ . 1 . 2]" 1
666 1 81 ASP HB2 1 107 ALA MB 0.000 . 3.500 2.268 1.852 3.249 . 0 0 "[ . 1 . 2]" 1
667 1 80 ILE HA 1 107 ALA H 0.000 . 2.700 2.383 2.038 2.650 . 0 0 "[ . 1 . 2]" 1
668 1 80 ILE HG12 1 107 ALA H 0.000 . 5.000 4.132 3.201 4.823 . 0 0 "[ . 1 . 2]" 1
669 1 80 ILE MG 1 107 ALA H 0.000 . 5.000 4.104 3.782 4.507 . 0 0 "[ . 1 . 2]" 1
670 1 106 PRO HA 1 107 ALA H 0.000 . 5.000 2.245 2.210 2.299 . 0 0 "[ . 1 . 2]" 1
671 1 106 PRO QB 1 107 ALA H 0.000 . 5.000 3.250 3.007 3.510 . 0 0 "[ . 1 . 2]" 1
672 1 107 ALA H 1 108 ALA MB 0.000 . 5.000 3.672 3.517 3.927 . 0 0 "[ . 1 . 2]" 1
673 1 107 ALA H 1 108 ALA H 0.000 . 2.700 2.114 1.855 2.697 . 0 0 "[ . 1 . 2]" 1
674 1 78 GLY HA3 1 108 ALA MB 0.000 . 3.500 3.038 2.732 3.405 . 0 0 "[ . 1 . 2]" 1
675 1 79 GLU QB 1 108 ALA MB 0.000 . 3.500 2.462 1.964 2.978 . 0 0 "[ . 1 . 2]" 1
676 1 108 ALA MB 1 111 VAL MG1 0.000 . 3.500 3.480 3.256 4.342 0.842 4 1 "[ +. 1 . 2]" 1
677 1 79 GLU QG 1 108 ALA H 0.000 . 5.000 4.609 3.652 4.982 . 0 0 "[ . 1 . 2]" 1
678 1 79 GLU H 1 108 ALA H 0.000 . 5.000 3.483 3.075 4.238 . 0 0 "[ . 1 . 2]" 1
679 1 106 PRO HA 1 108 ALA H 0.000 . 5.000 3.896 3.578 4.929 . 0 0 "[ . 1 . 2]" 1
680 1 106 PRO QB 1 108 ALA H 0.000 . 5.000 3.721 2.974 5.015 0.015 9 0 "[ . 1 . 2]" 1
681 1 107 ALA HA 1 108 ALA H 0.000 . 3.500 3.464 3.171 3.558 0.058 3 0 "[ . 1 . 2]" 1
682 1 107 ALA MB 1 108 ALA H 0.000 . 5.000 2.801 2.049 3.448 . 0 0 "[ . 1 . 2]" 1
683 1 108 ALA HA 1 109 ASP H 0.000 . 2.700 2.424 2.255 2.724 0.024 19 0 "[ . 1 . 2]" 1
684 1 108 ALA MB 1 109 ASP H 0.000 . 5.000 2.660 2.083 3.053 . 0 0 "[ . 1 . 2]" 1
685 1 109 ASP H 1 110 GLU H 0.000 . 3.500 3.054 2.719 3.317 . 0 0 "[ . 1 . 2]" 1
686 1 2 THR HB 1 110 GLU HA 0.000 . 3.500 2.773 2.160 3.107 . 0 0 "[ . 1 . 2]" 1
687 1 2 THR MG 1 110 GLU HA 0.000 . 5.000 3.693 2.780 4.504 . 0 0 "[ . 1 . 2]" 1
688 1 110 GLU HA 1 111 VAL H 0.000 . 3.500 2.237 2.215 2.351 . 0 0 "[ . 1 . 2]" 1
689 1 108 ALA MB 1 110 GLU H 0.000 . 5.000 3.546 2.444 4.224 . 0 0 "[ . 1 . 2]" 1
690 1 109 ASP HA 1 110 GLU H 0.000 . 5.000 3.564 3.496 3.590 . 0 0 "[ . 1 . 2]" 1
691 1 109 ASP QB 1 110 GLU H 0.000 . 5.000 2.214 1.817 3.426 . 0 0 "[ . 1 . 2]" 1
692 1 110 GLU H 1 110 GLU HG2 0.000 . 5.000 3.913 1.866 4.928 . 0 0 "[ . 1 . 2]" 1
693 1 75 VAL MG2 1 111 VAL HA 0.000 . 5.000 4.526 4.189 4.831 . 0 0 "[ . 1 . 2]" 1
694 1 78 GLY HA2 1 111 VAL HA 0.000 . 3.500 2.139 1.856 2.488 . 0 0 "[ . 1 . 2]" 1
695 1 78 GLY HA3 1 111 VAL HA 0.000 . 5.000 3.499 3.217 3.793 . 0 0 "[ . 1 . 2]" 1
696 1 78 GLY HA2 1 111 VAL MG1 0.000 . 3.500 2.209 1.839 3.910 0.410 4 0 "[ . 1 . 2]" 1
697 1 78 GLY HA3 1 111 VAL MG1 0.000 . 5.000 3.684 3.315 5.369 0.369 4 0 "[ . 1 . 2]" 1
698 1 2 THR HB 1 111 VAL H 0.000 . 5.000 4.203 3.599 4.632 . 0 0 "[ . 1 . 2]" 1
699 1 3 VAL HA 1 111 VAL H 0.000 . 2.700 2.309 2.029 2.694 . 0 0 "[ . 1 . 2]" 1
700 1 3 VAL QG 1 111 VAL H 0.000 . 5.000 2.985 2.454 3.414 . 0 0 "[ . 1 . 2]" 1
701 1 4 GLU H 1 111 VAL H 0.000 . 5.000 3.737 3.214 4.271 . 0 0 "[ . 1 . 2]" 1
702 1 110 GLU QB 1 111 VAL H 0.000 . 5.000 3.624 3.230 3.908 . 0 0 "[ . 1 . 2]" 1
703 1 4 GLU QB 1 112 LYS HA 0.000 . 5.000 2.816 2.179 4.113 . 0 0 "[ . 1 . 2]" 1
704 1 111 VAL MG1 1 112 LYS HA 0.000 . 5.000 3.923 3.261 4.604 . 0 0 "[ . 1 . 2]" 1
705 1 112 LYS HA 1 113 ILE MG 0.000 . 5.000 3.433 3.253 3.633 . 0 0 "[ . 1 . 2]" 1
706 1 24 PHE QD 1 112 LYS HB3 0.000 . 5.000 3.599 3.124 3.786 . 0 0 "[ . 1 . 2]" 1
707 1 24 PHE QE 1 112 LYS HB3 0.000 . 3.500 2.927 2.069 3.348 . 0 0 "[ . 1 . 2]" 1
708 1 24 PHE HZ 1 112 LYS HB3 0.000 . 3.500 3.344 2.826 3.518 0.018 10 0 "[ . 1 . 2]" 1
709 1 24 PHE QD 1 112 LYS HB2 0.000 . 5.000 4.843 4.482 5.013 0.013 3 0 "[ . 1 . 2]" 1
710 1 24 PHE QE 1 112 LYS HB2 0.000 . 5.000 4.166 3.525 4.618 . 0 0 "[ . 1 . 2]" 1
711 1 24 PHE HZ 1 112 LYS HB2 0.000 . 5.000 4.755 4.429 5.025 0.025 9 0 "[ . 1 . 2]" 1
712 1 77 GLU H 1 112 LYS HB2 0.000 . 3.500 2.784 2.218 3.238 . 0 0 "[ . 1 . 2]" 1
713 1 75 VAL MG2 1 112 LYS H 0.000 . 5.000 3.589 3.097 4.389 . 0 0 "[ . 1 . 2]" 1
714 1 77 GLU HB3 1 112 LYS H 0.000 . 5.000 2.879 2.187 3.482 . 0 0 "[ . 1 . 2]" 1
715 1 77 GLU HB2 1 112 LYS H 0.000 . 5.000 3.585 2.968 4.099 . 0 0 "[ . 1 . 2]" 1
716 1 78 GLY HA3 1 112 LYS H 0.000 . 5.000 4.775 4.481 5.014 0.014 12 0 "[ . 1 . 2]" 1
717 1 111 VAL HA 1 112 LYS H 0.000 . 2.700 2.280 2.206 2.399 . 0 0 "[ . 1 . 2]" 1
718 1 111 VAL MG1 1 112 LYS H 0.000 . 5.000 2.420 1.895 3.458 . 0 0 "[ . 1 . 2]" 1
719 1 111 VAL MG2 1 112 LYS H 0.000 . 5.000 4.005 2.602 4.362 . 0 0 "[ . 1 . 2]" 1
720 1 24 PHE HZ 1 113 ILE HA 0.000 . 5.000 3.504 3.105 3.980 . 0 0 "[ . 1 . 2]" 1
721 1 75 VAL HA 1 113 ILE HA 0.000 . 3.500 1.837 1.807 1.863 . 0 0 "[ . 1 . 2]" 1
722 1 75 VAL MG2 1 113 ILE HA 0.000 . 5.000 3.539 3.151 3.748 . 0 0 "[ . 1 . 2]" 1
723 1 76 LYS HB2 1 113 ILE HA 0.000 . 5.000 3.285 2.862 3.688 . 0 0 "[ . 1 . 2]" 1
724 1 76 LYS H 1 113 ILE HA 0.000 . 3.500 1.826 1.789 1.859 . 0 0 "[ . 1 . 2]" 1
725 1 4 GLU QB 1 113 ILE H 0.000 . 5.000 3.698 3.181 4.732 . 0 0 "[ . 1 . 2]" 1
726 1 6 LEU H 1 113 ILE H 0.000 . 5.000 4.148 3.803 4.487 . 0 0 "[ . 1 . 2]" 1
727 1 24 PHE QE 1 113 ILE H 0.000 . 5.000 2.986 2.395 3.526 . 0 0 "[ . 1 . 2]" 1
728 1 24 PHE HZ 1 113 ILE H 0.000 . 5.000 2.565 2.116 2.909 . 0 0 "[ . 1 . 2]" 1
729 1 112 LYS HA 1 113 ILE H 0.000 . 2.700 2.262 2.239 2.301 . 0 0 "[ . 1 . 2]" 1
730 1 6 LEU QB 1 114 VAL HA 0.000 . 5.000 2.626 2.411 2.968 . 0 0 "[ . 1 . 2]" 1
731 1 8 TYR H 1 114 VAL QG 0.000 . 3.500 2.307 2.004 2.641 . 0 0 "[ . 1 . 2]" 1
732 1 73 SER QB 1 114 VAL H 0.000 . 5.000 3.989 2.993 4.567 . 0 0 "[ . 1 . 2]" 1
733 1 74 ILE MG 1 114 VAL H 0.000 . 5.000 3.457 3.079 4.114 . 0 0 "[ . 1 . 2]" 1
734 1 75 VAL HA 1 114 VAL H 0.000 . 3.500 3.426 3.261 3.538 0.038 5 0 "[ . 1 . 2]" 1
735 1 113 ILE HA 1 114 VAL H 0.000 . 2.700 2.303 2.246 2.413 . 0 0 "[ . 1 . 2]" 1
736 1 113 ILE HB 1 114 VAL H 0.000 . 5.000 4.041 3.838 4.170 . 0 0 "[ . 1 . 2]" 1
737 1 113 ILE MD 1 114 VAL H 0.000 . 5.000 3.889 3.553 4.113 . 0 0 "[ . 1 . 2]" 1
738 1 113 ILE MG 1 114 VAL H 0.000 . 5.000 3.793 3.394 3.998 . 0 0 "[ . 1 . 2]" 1
739 1 73 SER QB 1 115 TYR HA 0.000 . 5.000 3.596 2.846 4.126 . 0 0 "[ . 1 . 2]" 1
740 1 115 TYR HA 1 117 ALA MB 0.000 . 5.000 4.440 4.235 4.769 . 0 0 "[ . 1 . 2]" 1
741 1 5 TYR HB2 1 115 TYR QD 0.000 . 5.000 3.952 3.414 4.296 . 0 0 "[ . 1 . 2]" 1
742 1 7 ASN HA 1 115 TYR QD 0.000 . 5.000 1.928 1.797 2.554 . 0 0 "[ . 1 . 2]" 1
743 1 7 ASN HB3 1 115 TYR QD 0.000 . 5.000 4.478 3.122 5.001 0.001 15 0 "[ . 1 . 2]" 1
744 1 36 ASP HA 1 115 TYR QD 0.000 . 3.500 3.567 3.520 3.643 0.143 17 0 "[ . 1 . 2]" 1
745 1 59 TRP HA 1 115 TYR QD 0.000 . 5.000 2.814 2.549 3.227 . 0 0 "[ . 1 . 2]" 1
746 1 59 TRP HE1 1 115 TYR QD 0.000 . 5.000 5.037 4.987 5.180 0.180 15 0 "[ . 1 . 2]" 1
747 1 59 TRP HZ2 1 115 TYR QD 0.000 . 5.000 4.940 3.941 5.057 0.057 7 0 "[ . 1 . 2]" 1
748 1 115 TYR QD 1 116 ASN QB 0.000 . 5.000 3.159 2.645 3.803 . 0 0 "[ . 1 . 2]" 1
749 1 7 ASN HA 1 115 TYR QE 0.000 . 5.000 2.036 1.866 2.532 . 0 0 "[ . 1 . 2]" 1
750 1 7 ASN HB2 1 115 TYR QE 0.000 . 5.000 1.938 1.827 2.556 . 0 0 "[ . 1 . 2]" 1
751 1 7 ASN HB3 1 115 TYR QE 0.000 . 5.000 3.237 1.859 3.533 . 0 0 "[ . 1 . 2]" 1
752 1 7 ASN H 1 115 TYR QE 0.000 . 3.500 3.518 3.405 3.560 0.060 13 0 "[ . 1 . 2]" 1
753 1 115 TYR QE 1 116 ASN QB 0.000 . 5.000 3.261 2.697 4.136 . 0 0 "[ . 1 . 2]" 1
754 1 5 TYR HA 1 115 TYR H 0.000 . 5.000 4.274 3.985 4.559 . 0 0 "[ . 1 . 2]" 1
755 1 5 TYR HB2 1 115 TYR H 0.000 . 5.000 3.818 3.506 4.160 . 0 0 "[ . 1 . 2]" 1
756 1 6 LEU QB 1 115 TYR H 0.000 . 5.000 4.045 3.792 4.427 . 0 0 "[ . 1 . 2]" 1
757 1 6 LEU H 1 115 TYR H 0.000 . 3.500 2.682 2.371 3.100 . 0 0 "[ . 1 . 2]" 1
758 1 7 ASN HA 1 115 TYR H 0.000 . 3.500 3.329 3.065 3.494 . 0 0 "[ . 1 . 2]" 1
759 1 114 VAL HA 1 115 TYR H 0.000 . 2.700 2.240 2.219 2.299 . 0 0 "[ . 1 . 2]" 1
760 1 114 VAL QG 1 115 TYR H 0.000 . 5.000 2.736 2.436 2.913 . 0 0 "[ . 1 . 2]" 1
761 1 115 TYR H 1 115 TYR QD 0.000 . 5.000 2.138 1.929 2.603 . 0 0 "[ . 1 . 2]" 1
762 1 115 TYR QD 1 116 ASN HA 0.000 . 5.000 4.414 3.216 4.800 . 0 0 "[ . 1 . 2]" 1
763 1 60 PRO QG 1 116 ASN H 0.000 . 3.500 3.299 2.781 3.514 0.014 10 0 "[ . 1 . 2]" 1
764 1 115 TYR QB 1 116 ASN H 0.000 . 5.000 3.012 2.714 3.309 . 0 0 "[ . 1 . 2]" 1
765 1 115 TYR QD 1 116 ASN H 0.000 . 5.000 3.412 2.253 3.871 . 0 0 "[ . 1 . 2]" 1
766 1 116 ASN H 1 117 ALA MB 0.000 . 5.000 4.133 3.742 4.237 . 0 0 "[ . 1 . 2]" 1
767 1 116 ASN H 1 117 ALA H 0.000 . 2.700 2.693 2.104 2.771 0.071 17 0 "[ . 1 . 2]" 1
768 1 117 ALA MB 1 123 LEU MD1 0.000 . 5.000 3.572 2.645 4.608 . 0 0 "[ . 1 . 2]" 1
769 1 72 ALA MB 1 117 ALA H 0.000 . 5.000 4.049 3.815 4.169 . 0 0 "[ . 1 . 2]" 1
770 1 116 ASN HA 1 117 ALA H 0.000 . 3.500 2.736 2.569 3.084 . 0 0 "[ . 1 . 2]" 1
771 1 8 TYR QD 1 119 HIS HB3 0.000 . 3.500 2.577 2.026 3.211 . 0 0 "[ . 1 . 2]" 1
772 1 8 TYR QE 1 119 HIS HB3 0.000 . 3.500 2.605 2.059 3.316 . 0 0 "[ . 1 . 2]" 1
773 1 8 TYR QD 1 119 HIS HB2 0.000 . 3.500 2.204 1.870 3.521 0.021 17 0 "[ . 1 . 2]" 1
774 1 8 TYR QE 1 119 HIS HB2 0.000 . 3.500 2.971 2.126 3.278 . 0 0 "[ . 1 . 2]" 1
775 1 8 TYR HB3 1 119 HIS HD2 0.000 . 5.000 3.106 2.353 3.546 . 0 0 "[ . 1 . 2]" 1
776 1 8 TYR HB2 1 119 HIS HD2 0.000 . 5.000 4.688 3.351 5.006 0.006 11 0 "[ . 1 . 2]" 1
777 1 8 TYR QD 1 119 HIS HD2 0.000 . 3.500 3.372 2.661 3.524 0.024 19 0 "[ . 1 . 2]" 1
778 1 116 ASN HA 1 119 HIS HD2 0.000 . 5.000 3.964 3.546 4.908 . 0 0 "[ . 1 . 2]" 1
779 1 116 ASN QB 1 119 HIS HD2 0.000 . 3.500 2.031 1.823 3.185 . 0 0 "[ . 1 . 2]" 1
780 1 119 HIS HA 1 119 HIS HD2 0.000 . 5.000 4.527 4.301 4.788 . 0 0 "[ . 1 . 2]" 1
781 1 8 TYR QD 1 119 HIS H 0.000 . 5.000 4.170 3.900 4.618 . 0 0 "[ . 1 . 2]" 1
782 1 8 TYR QE 1 119 HIS H 0.000 . 5.000 4.888 4.611 5.081 0.081 17 0 "[ . 1 . 2]" 1
783 1 117 ALA HA 1 119 HIS H 0.000 . 3.500 3.470 3.382 3.543 0.043 17 0 "[ . 1 . 2]" 1
784 1 119 HIS H 1 119 HIS HD2 0.000 . 3.500 3.140 2.198 3.480 . 0 0 "[ . 1 . 2]" 1
785 1 119 HIS H 1 120 LEU H 0.000 . 2.700 2.658 2.558 2.709 0.009 13 0 "[ . 1 . 2]" 1
786 1 117 ALA HA 1 120 LEU H 0.000 . 3.500 3.508 3.435 3.524 0.024 17 0 "[ . 1 . 2]" 1
787 1 119 HIS HA 1 120 LEU H 0.000 . 5.000 3.503 3.338 3.552 . 0 0 "[ . 1 . 2]" 1
788 1 119 HIS HB3 1 120 LEU H 0.000 . 5.000 3.773 3.464 4.334 . 0 0 "[ . 1 . 2]" 1
789 1 119 HIS HB2 1 120 LEU H 0.000 . 5.000 3.010 2.678 3.852 . 0 0 "[ . 1 . 2]" 1
790 1 120 LEU H 1 121 ASP H 0.000 . 5.000 4.566 4.264 4.706 . 0 0 "[ . 1 . 2]" 1
791 1 120 LEU H 1 123 LEU HB2 0.000 . 5.000 4.201 3.280 4.840 . 0 0 "[ . 1 . 2]" 1
792 1 121 ASP HA 1 124 GLN QB 0.000 . 3.500 2.235 1.853 2.661 . 0 0 "[ . 1 . 2]" 1
793 1 120 LEU HA 1 121 ASP H 0.000 . 2.700 2.247 2.207 2.384 . 0 0 "[ . 1 . 2]" 1
794 1 120 LEU QB 1 121 ASP H 0.000 . 5.000 3.604 2.986 3.923 . 0 0 "[ . 1 . 2]" 1
795 1 121 ASP H 1 122 TYR H 0.000 . 3.500 2.714 2.515 3.027 . 0 0 "[ . 1 . 2]" 1
796 1 122 TYR QD 1 123 LEU HA 0.000 . 5.000 4.170 3.056 4.998 . 0 0 "[ . 1 . 2]" 1
797 1 122 TYR QD 1 123 LEU MD2 0.000 . 5.000 4.874 3.635 5.898 0.898 17 5 "[ . 1 * **+- 2]" 1
798 1 122 TYR QD 1 123 LEU HG 0.000 . 5.000 3.889 2.545 4.792 . 0 0 "[ . 1 . 2]" 1
799 1 120 LEU HA 1 122 TYR H 0.000 . 5.000 3.835 3.411 4.270 . 0 0 "[ . 1 . 2]" 1
800 1 120 LEU QB 1 122 TYR H 0.000 . 5.000 3.188 2.324 4.064 . 0 0 "[ . 1 . 2]" 1
801 1 121 ASP HA 1 122 TYR H 0.000 . 5.000 3.523 3.459 3.592 . 0 0 "[ . 1 . 2]" 1
802 1 122 TYR H 1 122 TYR QD 0.000 . 5.000 3.898 3.431 4.135 . 0 0 "[ . 1 . 2]" 1
803 1 120 LEU QB 1 123 LEU H 0.000 . 5.000 2.707 2.289 3.411 . 0 0 "[ . 1 . 2]" 1
804 1 122 TYR HA 1 123 LEU H 0.000 . 3.500 3.469 3.353 3.548 0.048 4 0 "[ . 1 . 2]" 1
805 1 122 TYR HB3 1 123 LEU H 0.000 . 5.000 3.072 2.646 3.604 . 0 0 "[ . 1 . 2]" 1
806 1 122 TYR QD 1 123 LEU H 0.000 . 5.000 4.291 3.285 4.832 . 0 0 "[ . 1 . 2]" 1
807 1 122 TYR H 1 123 LEU H 0.000 . 2.700 2.623 2.474 2.719 0.019 6 0 "[ . 1 . 2]" 1
808 1 123 LEU H 1 123 LEU MD1 0.000 . 5.000 3.613 2.805 4.255 . 0 0 "[ . 1 . 2]" 1
809 1 123 LEU H 1 123 LEU MD2 0.000 . 5.000 4.342 4.109 4.598 . 0 0 "[ . 1 . 2]" 1
810 1 123 LEU H 1 123 LEU HG 0.000 . 5.000 3.716 3.073 4.191 . 0 0 "[ . 1 . 2]" 1
811 1 123 LEU H 1 124 GLN H 0.000 . 2.700 2.104 1.862 2.574 . 0 0 "[ . 1 . 2]" 1
812 1 119 HIS HA 1 124 GLN HE22 0.000 . 5.000 4.133 2.741 4.951 . 0 0 "[ . 1 . 2]" 1
813 1 120 LEU QB 1 124 GLN H 0.000 . 5.000 3.919 3.278 4.279 . 0 0 "[ . 1 . 2]" 1
814 1 121 ASP HA 1 124 GLN H 0.000 . 5.000 3.178 2.883 3.416 . 0 0 "[ . 1 . 2]" 1
815 1 122 TYR HA 1 124 GLN H 0.000 . 5.000 4.673 4.209 4.995 . 0 0 "[ . 1 . 2]" 1
816 1 122 TYR H 1 124 GLN H 0.000 . 5.000 4.048 3.694 4.553 . 0 0 "[ . 1 . 2]" 1
817 1 123 LEU HA 1 124 GLN H 0.000 . 5.000 3.517 3.397 3.589 . 0 0 "[ . 1 . 2]" 1
818 1 123 LEU HB3 1 124 GLN H 0.000 . 5.000 3.313 2.434 3.683 . 0 0 "[ . 1 . 2]" 1
819 1 123 LEU HB2 1 124 GLN H 0.000 . 5.000 3.127 2.764 3.690 . 0 0 "[ . 1 . 2]" 1
820 1 124 GLN H 1 125 ASN H 0.000 . 3.500 2.761 2.603 3.250 . 0 0 "[ . 1 . 2]" 1
821 1 124 GLN HA 1 125 ASN H 0.000 . 3.500 3.507 3.445 3.557 0.057 10 0 "[ . 1 . 2]" 1
822 1 124 GLN QB 1 125 ASN H 0.000 . 5.000 2.796 1.960 3.071 . 0 0 "[ . 1 . 2]" 1
823 1 125 ASN H 1 126 ARG H 0.000 . 3.500 2.692 2.590 2.903 . 0 0 "[ . 1 . 2]" 1
824 1 123 LEU HA 1 126 ARG H 0.000 . 5.000 3.677 3.316 4.048 . 0 0 "[ . 1 . 2]" 1
825 1 124 GLN HA 1 126 ARG H 0.000 . 5.000 3.741 3.491 4.065 . 0 0 "[ . 1 . 2]" 1
826 1 125 ASN HA 1 126 ARG H 0.000 . 5.000 3.483 3.408 3.557 . 0 0 "[ . 1 . 2]" 1
827 1 124 GLN HA 1 127 VAL H 0.000 . 5.000 3.625 3.109 4.050 . 0 0 "[ . 1 . 2]" 1
828 1 125 ASN HA 1 127 VAL H 0.000 . 5.000 3.784 3.525 4.677 . 0 0 "[ . 1 . 2]" 1
829 1 126 ARG HA 1 127 VAL H 0.000 . 5.000 3.357 3.013 3.589 . 0 0 "[ . 1 . 2]" 1
830 1 126 ARG H 1 127 VAL H 0.000 . 3.500 2.571 2.076 2.938 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 764
_Distance_constraint_stats_list.Viol_count 338
_Distance_constraint_stats_list.Viol_total 3431.961
_Distance_constraint_stats_list.Viol_max 1.733
_Distance_constraint_stats_list.Viol_rms 0.0977
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0112
_Distance_constraint_stats_list.Viol_average_violations_only 0.5077
_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 60 PRO 12.269 0.664 18 6 "[* * * * 1 . +-2]"
1 61 PHE 35.949 1.166 18 15 "[* * ****** **-. *+**]"
1 62 SER 19.344 1.632 18 9 "[* * **** * .- + 2]"
1 63 CYS 4.218 0.769 18 1 "[ . 1 . + 2]"
1 64 ARG 11.003 1.078 14 7 "[* .*** 1 +.* * 2]"
1 65 ALA 11.559 1.532 14 5 "[ .* - 1 +.* * 2]"
1 66 GLY 5.529 1.413 14 4 "[ .- 1 +.* * 2]"
1 67 ALA 5.908 0.880 18 3 "[ . - 1 .* + 2]"
1 68 CYS 10.504 1.239 18 6 "[* * . ** - . + 2]"
1 69 ALA 5.594 0.730 10 5 "[- * . * + . * 2]"
1 70 ASN 21.048 1.733 7 8 "[* * * +* * . -* 2]"
1 71 CYS 15.245 1.174 5 8 "[* * + *- * . ** 2]"
1 72 ALA 15.524 1.375 5 8 "[* * + ** * . *- 2]"
1 87 ILE 1.415 0.957 3 1 "[ + . 1 . 2]"
1 100 LEU 143.207 1.733 7 11 "[* * **+* - *.*** 2]"
1 101 THR 10.779 0.959 14 11 "[* -* *1 **+. ****]"
1 102 CYS 1.584 0.478 18 0 "[ . 1 . 2]"
1 103 ILE 2.693 1.489 16 2 "[ . 1 -.+ 2]"
1 104 GLY 0.115 0.069 11 0 "[ . 1 . 2]"
1 105 SER 1.814 0.356 14 0 "[ . 1 . 2]"
1 106 PRO 7.892 0.993 13 4 "[* . 1 +-. * 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 60 PRO CA 1 61 PHE CA 3.845 . 4.845 3.822 3.817 3.826 . 0 0 "[ . 1 . 2]" 2
2 1 60 PRO CA 1 61 PHE CD1 4.621 . 5.621 5.659 4.785 6.133 0.511 19 1 "[ . 1 . +2]" 2
3 1 60 PRO CA 1 62 SER CA 7.163 . 8.163 7.166 7.113 7.206 . 0 0 "[ . 1 . 2]" 2
4 1 60 PRO CA 1 62 SER CB 7.409 . 8.409 7.379 7.264 7.465 . 0 0 "[ . 1 . 2]" 2
5 1 60 PRO CA 1 63 CYS CA 10.429 . 11.429 10.167 10.139 10.200 . 0 0 "[ . 1 . 2]" 2
6 1 60 PRO CA 1 63 CYS SG 10.820 . 11.820 10.457 10.361 10.653 . 0 0 "[ . 1 . 2]" 2
7 1 60 PRO CA 1 64 ARG CA 9.895 . 10.895 9.814 9.697 9.977 . 0 0 "[ . 1 . 2]" 2
8 1 60 PRO CA 1 64 ARG CD 9.046 . 10.046 8.784 7.988 9.345 . 0 0 "[ . 1 . 2]" 2
9 1 60 PRO CA 1 65 ALA CA 13.150 . 14.150 13.072 12.947 13.329 . 0 0 "[ . 1 . 2]" 2
10 1 60 PRO CA 1 65 ALA CB 13.930 . 14.930 13.883 13.752 14.078 . 0 0 "[ . 1 . 2]" 2
11 1 60 PRO CA 1 66 GLY CA 13.078 . 14.078 12.744 12.443 13.177 . 0 0 "[ . 1 . 2]" 2
12 1 60 PRO CA 1 67 ALA CA 13.531 . 14.531 13.700 13.592 13.983 . 0 0 "[ . 1 . 2]" 2
13 1 60 PRO CA 1 67 ALA CB 14.133 . 15.133 14.359 14.260 14.592 . 0 0 "[ . 1 . 2]" 2
14 1 60 PRO CA 1 68 CYS CA 10.658 . 11.658 11.141 10.993 11.382 . 0 0 "[ . 1 . 2]" 2
15 1 60 PRO CA 1 68 CYS SG 8.359 . 9.359 8.690 8.514 8.883 . 0 0 "[ . 1 . 2]" 2
16 1 60 PRO CA 1 69 ALA CA 9.296 . 10.296 9.350 9.169 9.608 . 0 0 "[ . 1 . 2]" 2
17 1 60 PRO CA 1 69 ALA CB 10.338 . 11.338 10.474 10.302 10.749 . 0 0 "[ . 1 . 2]" 2
18 1 60 PRO CA 1 70 ASN CA 5.604 . 6.604 6.167 6.033 6.507 . 0 0 "[ . 1 . 2]" 2
19 1 60 PRO CA 1 70 ASN CG 6.316 . 7.316 7.093 5.428 7.342 0.026 17 0 "[ . 1 . 2]" 2
20 1 60 PRO CA 1 71 CYS CA 5.163 . 6.163 4.655 4.448 5.309 . 0 0 "[ . 1 . 2]" 2
21 1 60 PRO CA 1 71 CYS SG 7.292 . 8.292 6.814 6.651 7.454 . 0 0 "[ . 1 . 2]" 2
22 1 60 PRO CA 1 72 ALA CA 8.333 . 9.333 7.906 7.617 8.746 . 0 0 "[ . 1 . 2]" 2
23 1 60 PRO CA 1 72 ALA CB 8.954 . 9.954 8.635 8.292 9.499 . 0 0 "[ . 1 . 2]" 2
24 1 60 PRO CA 1 87 ILE CA 16.304 . 17.304 16.353 15.576 16.979 . 0 0 "[ . 1 . 2]" 2
25 1 60 PRO CA 1 87 ILE CG1 14.477 . 15.477 14.252 13.309 15.404 . 0 0 "[ . 1 . 2]" 2
26 1 60 PRO CA 1 100 LEU CA 10.359 . 11.359 10.360 9.785 11.180 . 0 0 "[ . 1 . 2]" 2
27 1 60 PRO CA 1 100 LEU CD1 12.127 . 13.127 12.669 10.401 13.792 0.664 18 5 "[* * - * 1 . + 2]" 2
28 1 60 PRO CA 1 101 THR CA 9.361 . 10.361 8.957 8.481 9.840 . 0 0 "[ . 1 . 2]" 2
29 1 60 PRO CA 1 101 THR CG2 8.803 . 9.803 8.374 7.133 9.243 . 0 0 "[ . 1 . 2]" 2
30 1 60 PRO CA 1 102 CYS CA 9.298 . 10.298 8.776 8.596 9.592 . 0 0 "[ . 1 . 2]" 2
31 1 60 PRO CA 1 102 CYS SG 9.526 . 10.526 8.985 8.766 9.654 . 0 0 "[ . 1 . 2]" 2
32 1 60 PRO CA 1 103 ILE CA 12.898 . 13.898 12.414 12.227 13.311 . 0 0 "[ . 1 . 2]" 2
33 1 60 PRO CA 1 103 ILE CG1 12.772 . 13.772 12.450 12.136 12.848 . 0 0 "[ . 1 . 2]" 2
34 1 60 PRO CA 1 104 GLY CA 14.075 . 15.075 13.608 13.297 14.422 . 0 0 "[ . 1 . 2]" 2
35 1 60 PRO CA 1 105 SER CA 16.411 . 17.411 15.880 15.576 16.418 . 0 0 "[ . 1 . 2]" 2
36 1 60 PRO CA 1 105 SER CB 17.523 . 18.523 16.920 16.535 17.409 . 0 0 "[ . 1 . 2]" 2
37 1 60 PRO CA 1 106 PRO CA 18.222 . 19.222 17.745 17.533 18.128 . 0 0 "[ . 1 . 2]" 2
38 1 60 PRO CA 1 106 PRO CG 18.120 . 19.120 17.317 16.791 18.174 . 0 0 "[ . 1 . 2]" 2
39 1 60 PRO CG 1 61 PHE CA 5.650 . 6.650 5.532 5.484 5.555 . 0 0 "[ . 1 . 2]" 2
40 1 60 PRO CG 1 61 PHE CD1 6.775 . 7.775 7.749 5.651 8.289 0.514 19 1 "[ . 1 . +2]" 2
41 1 60 PRO CG 1 62 SER CA 8.976 . 9.976 8.809 8.530 8.902 . 0 0 "[ . 1 . 2]" 2
42 1 60 PRO CG 1 62 SER CB 8.962 . 9.962 8.762 8.347 8.907 . 0 0 "[ . 1 . 2]" 2
43 1 60 PRO CG 1 63 CYS CA 12.011 . 13.011 11.467 11.318 11.566 . 0 0 "[ . 1 . 2]" 2
44 1 60 PRO CG 1 63 CYS SG 11.919 . 12.919 11.257 11.175 11.437 . 0 0 "[ . 1 . 2]" 2
45 1 60 PRO CG 1 64 ARG CA 11.281 . 12.281 11.142 10.988 11.275 . 0 0 "[ . 1 . 2]" 2
46 1 60 PRO CG 1 64 ARG CD 11.008 . 12.008 10.683 9.571 11.319 . 0 0 "[ . 1 . 2]" 2
47 1 60 PRO CG 1 65 ALA CA 14.164 . 15.164 14.000 13.849 14.219 . 0 0 "[ . 1 . 2]" 2
48 1 60 PRO CG 1 65 ALA CB 15.087 . 16.087 14.901 14.744 15.057 . 0 0 "[ . 1 . 2]" 2
49 1 60 PRO CG 1 66 GLY CA 13.454 . 14.454 13.012 12.704 13.409 . 0 0 "[ . 1 . 2]" 2
50 1 60 PRO CG 1 67 ALA CA 14.044 . 15.044 13.950 13.816 14.248 . 0 0 "[ . 1 . 2]" 2
51 1 60 PRO CG 1 67 ALA CB 14.868 . 15.868 14.822 14.690 15.067 . 0 0 "[ . 1 . 2]" 2
52 1 60 PRO CG 1 68 CYS CA 10.986 . 11.986 11.132 11.020 11.454 . 0 0 "[ . 1 . 2]" 2
53 1 60 PRO CG 1 68 CYS SG 9.115 . 10.115 9.055 8.899 9.319 . 0 0 "[ . 1 . 2]" 2
54 1 60 PRO CG 1 69 ALA CA 8.812 . 9.812 8.605 8.462 8.982 . 0 0 "[ . 1 . 2]" 2
55 1 60 PRO CG 1 69 ALA CB 9.659 . 10.659 9.516 9.361 9.904 . 0 0 "[ . 1 . 2]" 2
56 1 60 PRO CG 1 70 ASN CA 5.562 . 6.562 5.835 5.521 6.259 . 0 0 "[ . 1 . 2]" 2
57 1 60 PRO CG 1 70 ASN CG 7.024 . 8.024 7.405 6.119 7.806 . 0 0 "[ . 1 . 2]" 2
58 1 60 PRO CG 1 71 CYS CA 4.686 . 5.686 3.995 3.802 4.566 . 0 0 "[ . 1 . 2]" 2
59 1 60 PRO CG 1 71 CYS SG 7.300 . 8.300 6.544 6.319 7.183 . 0 0 "[ . 1 . 2]" 2
60 1 60 PRO CG 1 72 ALA CA 6.911 . 7.911 6.266 5.907 7.252 . 0 0 "[ . 1 . 2]" 2
61 1 60 PRO CG 1 72 ALA CB 7.472 . 8.472 6.929 6.538 7.885 . 0 0 "[ . 1 . 2]" 2
62 1 60 PRO CG 1 87 ILE CA 16.052 . 17.052 15.787 14.856 16.386 . 0 0 "[ . 1 . 2]" 2
63 1 60 PRO CG 1 87 ILE CG1 14.226 . 15.226 13.786 12.573 15.096 . 0 0 "[ . 1 . 2]" 2
64 1 60 PRO CG 1 100 LEU CA 9.734 . 10.734 9.624 8.984 10.617 . 0 0 "[ . 1 . 2]" 2
65 1 60 PRO CG 1 100 LEU CD1 11.826 . 12.826 12.130 9.956 13.390 0.564 3 1 "[ + . 1 . 2]" 2
66 1 60 PRO CG 1 101 THR CA 9.013 . 10.013 8.478 8.123 9.628 . 0 0 "[ . 1 . 2]" 2
67 1 60 PRO CG 1 101 THR CG2 7.947 . 8.947 7.407 6.737 8.542 . 0 0 "[ . 1 . 2]" 2
68 1 60 PRO CG 1 102 CYS CA 9.881 . 10.881 9.277 8.939 10.222 . 0 0 "[ . 1 . 2]" 2
69 1 60 PRO CG 1 102 CYS SG 10.121 . 11.121 9.409 9.078 10.088 . 0 0 "[ . 1 . 2]" 2
70 1 60 PRO CG 1 103 ILE CA 13.204 . 14.204 12.665 12.342 13.726 . 0 0 "[ . 1 . 2]" 2
71 1 60 PRO CG 1 103 ILE CG1 12.960 . 13.960 12.596 12.138 13.340 . 0 0 "[ . 1 . 2]" 2
72 1 60 PRO CG 1 104 GLY CA 13.797 . 14.797 13.250 12.924 14.354 . 0 0 "[ . 1 . 2]" 2
73 1 60 PRO CG 1 105 SER CA 16.142 . 17.142 15.484 15.149 16.404 . 0 0 "[ . 1 . 2]" 2
74 1 60 PRO CG 1 105 SER CB 17.391 . 18.391 16.674 16.288 17.546 . 0 0 "[ . 1 . 2]" 2
75 1 60 PRO CG 1 106 PRO CA 17.558 . 18.558 16.965 16.686 17.758 . 0 0 "[ . 1 . 2]" 2
76 1 60 PRO CG 1 106 PRO CG 17.656 . 18.656 16.728 16.191 17.488 . 0 0 "[ . 1 . 2]" 2
77 1 61 PHE CA 1 61 PHE CD1 3.441 . 4.441 3.146 2.925 3.287 . 0 0 "[ . 1 . 2]" 2
78 1 61 PHE CA 1 62 SER CA 3.843 . 4.843 3.817 3.813 3.822 . 0 0 "[ . 1 . 2]" 2
79 1 61 PHE CA 1 62 SER CB 4.499 . 5.499 4.493 4.479 4.529 . 0 0 "[ . 1 . 2]" 2
80 1 61 PHE CA 1 63 CYS CA 6.668 . 7.668 6.447 6.417 6.525 . 0 0 "[ . 1 . 2]" 2
81 1 61 PHE CA 1 63 CYS SG 7.248 . 8.248 7.017 6.877 7.271 . 0 0 "[ . 1 . 2]" 2
82 1 61 PHE CA 1 64 ARG CA 6.218 . 7.218 6.197 6.080 6.338 . 0 0 "[ . 1 . 2]" 2
83 1 61 PHE CA 1 64 ARG CD 5.652 . 6.652 5.509 4.858 5.995 . 0 0 "[ . 1 . 2]" 2
84 1 61 PHE CA 1 65 ALA CA 9.591 . 10.591 9.573 9.455 9.798 . 0 0 "[ . 1 . 2]" 2
85 1 61 PHE CA 1 65 ALA CB 10.235 . 11.235 10.248 10.122 10.425 . 0 0 "[ . 1 . 2]" 2
86 1 61 PHE CA 1 66 GLY CA 10.122 . 11.122 9.853 9.583 10.253 . 0 0 "[ . 1 . 2]" 2
87 1 61 PHE CA 1 67 ALA CA 10.482 . 11.482 10.715 10.537 11.036 . 0 0 "[ . 1 . 2]" 2
88 1 61 PHE CA 1 67 ALA CB 10.846 . 11.846 11.135 10.996 11.413 . 0 0 "[ . 1 . 2]" 2
89 1 61 PHE CA 1 68 CYS CA 8.211 . 9.211 8.742 8.511 9.069 . 0 0 "[ . 1 . 2]" 2
90 1 61 PHE CA 1 68 CYS SG 5.552 . 6.552 6.073 5.822 6.372 . 0 0 "[ . 1 . 2]" 2
91 1 61 PHE CA 1 69 ALA CA 8.225 . 9.225 8.267 8.035 8.567 . 0 0 "[ . 1 . 2]" 2
92 1 61 PHE CA 1 69 ALA CB 9.573 . 10.573 9.672 9.443 9.978 . 0 0 "[ . 1 . 2]" 2
93 1 61 PHE CA 1 70 ASN CA 4.975 . 5.975 5.564 5.362 6.030 0.055 8 0 "[ . 1 . 2]" 2
94 1 61 PHE CA 1 70 ASN CG 4.930 . 5.930 5.797 3.873 5.979 0.049 4 0 "[ . 1 . 2]" 2
95 1 61 PHE CA 1 71 CYS CA 4.848 . 5.848 4.636 4.360 5.110 . 0 0 "[ . 1 . 2]" 2
96 1 61 PHE CA 1 71 CYS SG 5.512 . 6.512 5.464 5.219 6.001 . 0 0 "[ . 1 . 2]" 2
97 1 61 PHE CA 1 72 ALA CA 8.603 . 9.603 8.433 8.152 8.895 . 0 0 "[ . 1 . 2]" 2
98 1 61 PHE CA 1 72 ALA CB 9.278 . 10.278 9.208 8.929 9.643 . 0 0 "[ . 1 . 2]" 2
99 1 61 PHE CA 1 87 ILE CA 14.136 . 15.136 14.337 13.810 14.914 . 0 0 "[ . 1 . 2]" 2
100 1 61 PHE CA 1 87 ILE CG1 12.509 . 13.509 12.210 11.613 13.168 . 0 0 "[ . 1 . 2]" 2
101 1 61 PHE CA 1 100 LEU CA 9.245 . 10.245 9.350 8.971 9.857 . 0 0 "[ . 1 . 2]" 2
102 1 61 PHE CA 1 100 LEU CD1 10.144 . 11.144 10.914 8.678 12.310 1.166 18 7 "[* * * ** - . + 2]" 2
103 1 61 PHE CA 1 101 THR CA 8.640 . 9.640 8.544 8.033 8.984 . 0 0 "[ . 1 . 2]" 2
104 1 61 PHE CA 1 101 THR CG2 9.152 . 10.152 8.996 7.492 9.525 . 0 0 "[ . 1 . 2]" 2
105 1 61 PHE CA 1 102 CYS CA 7.107 . 8.107 6.912 6.603 7.411 . 0 0 "[ . 1 . 2]" 2
106 1 61 PHE CA 1 102 CYS SG 6.741 . 7.741 6.476 6.350 7.019 . 0 0 "[ . 1 . 2]" 2
107 1 61 PHE CA 1 103 ILE CA 10.562 . 11.562 10.287 10.082 10.929 . 0 0 "[ . 1 . 2]" 2
108 1 61 PHE CA 1 103 ILE CG1 10.281 . 11.281 10.060 9.666 10.371 . 0 0 "[ . 1 . 2]" 2
109 1 61 PHE CA 1 104 GLY CA 12.663 . 13.663 12.421 12.057 12.929 . 0 0 "[ . 1 . 2]" 2
110 1 61 PHE CA 1 105 SER CA 15.341 . 16.341 15.175 14.866 15.560 . 0 0 "[ . 1 . 2]" 2
111 1 61 PHE CA 1 105 SER CB 16.228 . 17.228 15.985 15.606 16.338 . 0 0 "[ . 1 . 2]" 2
112 1 61 PHE CA 1 106 PRO CA 17.848 . 18.848 17.733 17.544 18.042 . 0 0 "[ . 1 . 2]" 2
113 1 61 PHE CA 1 106 PRO CG 17.792 . 18.792 17.430 17.064 18.162 . 0 0 "[ . 1 . 2]" 2
114 1 61 PHE CD1 1 62 SER CA 6.049 . 7.049 4.441 3.956 6.107 . 0 0 "[ . 1 . 2]" 2
115 1 61 PHE CD1 1 62 SER CB 7.183 . 8.183 5.676 5.330 6.908 . 0 0 "[ . 1 . 2]" 2
116 1 61 PHE CD1 1 63 CYS CA 8.593 . 9.593 6.859 6.268 7.442 . 0 0 "[ . 1 . 2]" 2
117 1 61 PHE CD1 1 63 CYS SG 9.715 . 10.715 8.100 7.215 8.613 . 0 0 "[ . 1 . 2]" 2
118 1 61 PHE CD1 1 64 ARG CA 7.475 . 8.475 6.025 5.413 6.635 . 0 0 "[ . 1 . 2]" 2
119 1 61 PHE CD1 1 64 ARG CD 5.253 . 6.253 3.833 3.056 5.608 . 0 0 "[ . 1 . 2]" 2
120 1 61 PHE CD1 1 65 ALA CA 11.257 . 12.257 9.765 8.715 10.423 . 0 0 "[ . 1 . 2]" 2
121 1 61 PHE CD1 1 65 ALA CB 11.885 . 12.885 10.347 9.732 10.884 . 0 0 "[ . 1 . 2]" 2
122 1 61 PHE CD1 1 66 GLY CA 12.475 . 13.475 10.990 8.643 11.903 . 0 0 "[ . 1 . 2]" 2
123 1 61 PHE CD1 1 67 ALA CA 13.341 . 14.341 12.126 10.559 12.688 . 0 0 "[ . 1 . 2]" 2
124 1 61 PHE CD1 1 67 ALA CB 13.536 . 14.536 12.272 11.145 12.824 . 0 0 "[ . 1 . 2]" 2
125 1 61 PHE CD1 1 68 CYS CA 11.512 . 12.512 10.804 9.184 11.283 . 0 0 "[ . 1 . 2]" 2
126 1 61 PHE CD1 1 68 CYS SG 8.820 . 9.820 8.181 6.988 8.607 . 0 0 "[ . 1 . 2]" 2
127 1 61 PHE CD1 1 69 ALA CA 11.574 . 12.574 10.913 8.496 11.331 . 0 0 "[ . 1 . 2]" 2
128 1 61 PHE CD1 1 69 ALA CB 12.925 . 13.925 12.349 9.953 12.746 . 0 0 "[ . 1 . 2]" 2
129 1 61 PHE CD1 1 70 ASN CA 8.236 . 9.236 8.356 6.903 8.675 . 0 0 "[ . 1 . 2]" 2
130 1 61 PHE CD1 1 70 ASN CG 8.192 . 9.192 8.164 5.592 8.489 . 0 0 "[ . 1 . 2]" 2
131 1 61 PHE CD1 1 71 CYS CA 7.250 . 8.250 7.312 4.332 7.859 . 0 0 "[ . 1 . 2]" 2
132 1 61 PHE CD1 1 71 CYS SG 7.985 . 8.985 7.674 4.045 8.467 . 0 0 "[ . 1 . 2]" 2
133 1 61 PHE CD1 1 72 ALA CA 11.056 . 12.056 11.082 7.712 11.680 . 0 0 "[ . 1 . 2]" 2
134 1 61 PHE CD1 1 72 ALA CB 11.973 . 12.973 11.957 8.921 12.462 . 0 0 "[ . 1 . 2]" 2
135 1 61 PHE CD1 1 87 ILE CA 17.260 . 18.260 16.334 13.783 17.340 . 0 0 "[ . 1 . 2]" 2
136 1 61 PHE CD1 1 87 ILE CG1 15.797 . 16.797 14.252 11.560 15.609 . 0 0 "[ . 1 . 2]" 2
137 1 61 PHE CD1 1 100 LEU CA 11.143 . 12.143 11.200 7.031 12.205 0.062 18 0 "[ . 1 . 2]" 2
138 1 61 PHE CD1 1 100 LEU CD1 12.679 . 13.679 12.727 9.257 14.764 1.085 18 2 "[- . 1 . + 2]" 2
139 1 61 PHE CD1 1 101 THR CA 9.335 . 10.335 9.852 5.550 10.879 0.543 14 1 "[ . 1 +. 2]" 2
140 1 61 PHE CD1 1 101 THR CG2 9.676 . 10.676 10.533 6.597 11.635 0.959 14 11 "[* -* *1 **+. ****]" 2
141 1 61 PHE CD1 1 102 CYS CA 7.709 . 8.709 7.495 4.078 8.335 . 0 0 "[ . 1 . 2]" 2
142 1 61 PHE CD1 1 102 CYS SG 8.408 . 9.408 7.584 4.477 8.395 . 0 0 "[ . 1 . 2]" 2
143 1 61 PHE CD1 1 103 ILE CA 11.490 . 12.490 10.854 7.746 11.736 . 0 0 "[ . 1 . 2]" 2
144 1 61 PHE CD1 1 103 ILE CG1 11.930 . 12.930 11.019 7.877 11.844 . 0 0 "[ . 1 . 2]" 2
145 1 61 PHE CD1 1 104 GLY CA 13.433 . 14.433 13.371 9.550 14.300 . 0 0 "[ . 1 . 2]" 2
146 1 61 PHE CD1 1 105 SER CA 15.387 . 16.387 15.815 12.265 16.743 0.356 14 0 "[ . 1 . 2]" 2
147 1 61 PHE CD1 1 105 SER CB 16.188 . 17.188 16.439 13.082 17.377 0.190 14 0 "[ . 1 . 2]" 2
148 1 61 PHE CD1 1 106 PRO CA 17.790 . 18.790 18.573 14.754 19.546 0.756 1 4 "[+ . 1 **. - 2]" 2
149 1 61 PHE CD1 1 106 PRO CG 17.275 . 18.275 17.992 14.084 19.268 0.993 13 3 "[* . 1 +-. 2]" 2
150 1 62 SER CA 1 63 CYS CA 3.850 . 4.850 3.820 3.814 3.826 . 0 0 "[ . 1 . 2]" 2
151 1 62 SER CA 1 63 CYS SG 5.441 . 6.441 5.620 5.581 5.677 . 0 0 "[ . 1 . 2]" 2
152 1 62 SER CA 1 64 ARG CA 5.696 . 6.696 5.684 5.593 5.791 . 0 0 "[ . 1 . 2]" 2
153 1 62 SER CA 1 64 ARG CD 5.285 . 6.285 5.391 4.453 5.854 . 0 0 "[ . 1 . 2]" 2
154 1 62 SER CA 1 65 ALA CA 8.615 . 9.615 8.670 8.540 8.746 . 0 0 "[ . 1 . 2]" 2
155 1 62 SER CA 1 65 ALA CB 8.689 . 9.689 8.769 8.623 8.885 . 0 0 "[ . 1 . 2]" 2
156 1 62 SER CA 1 66 GLY CA 9.824 . 10.824 9.702 9.562 9.844 . 0 0 "[ . 1 . 2]" 2
157 1 62 SER CA 1 67 ALA CA 9.013 . 10.013 9.462 9.383 9.519 . 0 0 "[ . 1 . 2]" 2
158 1 62 SER CA 1 67 ALA CB 8.926 . 9.926 9.422 9.339 9.626 . 0 0 "[ . 1 . 2]" 2
159 1 62 SER CA 1 68 CYS CA 7.112 . 8.112 7.786 7.639 7.860 . 0 0 "[ . 1 . 2]" 2
160 1 62 SER CA 1 68 CYS SG 4.507 . 5.507 5.163 4.996 5.239 . 0 0 "[ . 1 . 2]" 2
161 1 62 SER CA 1 69 ALA CA 8.643 . 9.643 8.751 8.496 8.867 . 0 0 "[ . 1 . 2]" 2
162 1 62 SER CA 1 69 ALA CB 9.878 . 10.878 10.067 9.792 10.214 . 0 0 "[ . 1 . 2]" 2
163 1 62 SER CA 1 70 ASN CA 6.203 . 7.203 6.401 6.130 6.657 . 0 0 "[ . 1 . 2]" 2
164 1 62 SER CA 1 70 ASN CG 4.604 . 5.604 5.210 4.084 5.540 . 0 0 "[ . 1 . 2]" 2
165 1 62 SER CA 1 71 CYS CA 7.698 . 8.698 7.368 7.188 7.556 . 0 0 "[ . 1 . 2]" 2
166 1 62 SER CA 1 71 CYS SG 7.477 . 8.477 7.627 7.502 7.837 . 0 0 "[ . 1 . 2]" 2
167 1 62 SER CA 1 72 ALA CA 10.966 . 11.966 10.713 10.485 10.816 . 0 0 "[ . 1 . 2]" 2
168 1 62 SER CA 1 72 ALA CB 11.299 . 12.299 11.141 10.880 11.307 . 0 0 "[ . 1 . 2]" 2
169 1 62 SER CA 1 87 ILE CA 13.432 . 14.432 13.883 13.359 14.231 . 0 0 "[ . 1 . 2]" 2
170 1 62 SER CA 1 87 ILE CG1 11.765 . 12.765 11.723 11.036 12.272 . 0 0 "[ . 1 . 2]" 2
171 1 62 SER CA 1 100 LEU CA 11.359 . 12.359 11.369 11.017 11.612 . 0 0 "[ . 1 . 2]" 2
172 1 62 SER CA 1 100 LEU CD1 10.964 . 11.964 11.863 10.048 13.367 1.403 18 8 "[* * -*** * . + 2]" 2
173 1 62 SER CA 1 101 THR CA 11.516 . 12.516 11.442 11.007 11.831 . 0 0 "[ . 1 . 2]" 2
174 1 62 SER CA 1 101 THR CG2 12.495 . 13.495 12.294 10.965 12.823 . 0 0 "[ . 1 . 2]" 2
175 1 62 SER CA 1 102 CYS CA 9.117 . 10.117 9.120 8.773 9.403 . 0 0 "[ . 1 . 2]" 2
176 1 62 SER CA 1 102 CYS SG 7.847 . 8.847 7.831 7.705 7.979 . 0 0 "[ . 1 . 2]" 2
177 1 62 SER CA 1 103 ILE CA 11.888 . 12.888 11.729 11.527 12.009 . 0 0 "[ . 1 . 2]" 2
178 1 62 SER CA 1 103 ILE CG1 11.174 . 12.174 10.991 10.359 11.282 . 0 0 "[ . 1 . 2]" 2
179 1 62 SER CA 1 104 GLY CA 14.734 . 15.734 14.527 14.188 14.804 . 0 0 "[ . 1 . 2]" 2
180 1 62 SER CA 1 105 SER CA 17.688 . 18.688 17.638 17.353 18.007 . 0 0 "[ . 1 . 2]" 2
181 1 62 SER CA 1 105 SER CB 18.375 . 19.375 18.271 17.911 18.578 . 0 0 "[ . 1 . 2]" 2
182 1 62 SER CA 1 106 PRO CA 20.603 . 21.603 20.555 20.395 20.769 . 0 0 "[ . 1 . 2]" 2
183 1 62 SER CA 1 106 PRO CG 20.630 . 21.630 20.400 19.964 21.055 . 0 0 "[ . 1 . 2]" 2
184 1 62 SER CB 1 63 CYS CA 4.334 . 5.334 4.338 4.328 4.345 . 0 0 "[ . 1 . 2]" 2
185 1 62 SER CB 1 63 CYS SG 5.456 . 6.456 5.861 5.773 5.918 . 0 0 "[ . 1 . 2]" 2
186 1 62 SER CB 1 64 ARG CA 6.601 . 7.601 6.811 6.744 6.871 . 0 0 "[ . 1 . 2]" 2
187 1 62 SER CB 1 64 ARG CD 6.748 . 7.748 6.892 5.977 7.328 . 0 0 "[ . 1 . 2]" 2
188 1 62 SER CB 1 65 ALA CA 9.058 . 10.058 9.412 9.297 9.484 . 0 0 "[ . 1 . 2]" 2
189 1 62 SER CB 1 65 ALA CB 9.106 . 10.106 9.431 9.296 9.559 . 0 0 "[ . 1 . 2]" 2
190 1 62 SER CB 1 66 GLY CA 9.792 . 10.792 10.027 9.886 10.204 . 0 0 "[ . 1 . 2]" 2
191 1 62 SER CB 1 67 ALA CA 8.507 . 9.507 9.287 9.129 9.375 . 0 0 "[ . 1 . 2]" 2
192 1 62 SER CB 1 67 ALA CB 8.517 . 9.517 9.306 9.161 9.527 0.010 9 0 "[ . 1 . 2]" 2
193 1 62 SER CB 1 68 CYS CA 6.165 . 7.165 7.137 6.891 7.221 0.056 16 0 "[ . 1 . 2]" 2
194 1 62 SER CB 1 68 CYS SG 3.753 . 4.753 4.575 4.316 4.716 . 0 0 "[ . 1 . 2]" 2
195 1 62 SER CB 1 69 ALA CA 7.655 . 8.655 7.994 7.614 8.252 . 0 0 "[ . 1 . 2]" 2
196 1 62 SER CB 1 69 ALA CB 8.766 . 9.766 9.186 8.785 9.473 . 0 0 "[ . 1 . 2]" 2
197 1 62 SER CB 1 70 ASN CA 5.432 . 6.432 5.553 5.198 5.936 . 0 0 "[ . 1 . 2]" 2
198 1 62 SER CB 1 70 ASN CG 3.455 . 4.455 3.965 3.308 4.376 . 0 0 "[ . 1 . 2]" 2
199 1 62 SER CB 1 71 CYS CA 7.640 . 8.640 7.304 7.048 7.523 . 0 0 "[ . 1 . 2]" 2
200 1 62 SER CB 1 71 CYS SG 7.522 . 8.522 7.804 7.589 8.010 . 0 0 "[ . 1 . 2]" 2
201 1 62 SER CB 1 72 ALA CA 10.563 . 11.563 10.360 10.006 10.631 . 0 0 "[ . 1 . 2]" 2
202 1 62 SER CB 1 72 ALA CB 10.694 . 11.694 10.585 10.198 10.869 . 0 0 "[ . 1 . 2]" 2
203 1 62 SER CB 1 87 ILE CA 12.627 . 13.627 13.376 12.783 13.666 0.039 11 0 "[ . 1 . 2]" 2
204 1 62 SER CB 1 87 ILE CG1 10.790 . 11.790 11.168 10.375 11.700 . 0 0 "[ . 1 . 2]" 2
205 1 62 SER CB 1 100 LEU CA 11.411 . 12.411 11.581 11.305 11.889 . 0 0 "[ . 1 . 2]" 2
206 1 62 SER CB 1 100 LEU CD1 10.738 . 11.738 11.914 10.140 13.371 1.632 18 9 "[* * **** * .- + 2]" 2
207 1 62 SER CB 1 101 THR CA 12.004 . 13.004 12.006 11.615 12.450 . 0 0 "[ . 1 . 2]" 2
208 1 62 SER CB 1 101 THR CG2 12.889 . 13.889 12.716 11.637 13.270 . 0 0 "[ . 1 . 2]" 2
209 1 62 SER CB 1 102 CYS CA 9.888 . 10.888 10.026 9.729 10.310 . 0 0 "[ . 1 . 2]" 2
210 1 62 SER CB 1 102 CYS SG 8.341 . 9.341 8.501 8.386 8.625 . 0 0 "[ . 1 . 2]" 2
211 1 62 SER CB 1 103 ILE CA 12.477 . 13.477 12.536 12.320 12.789 . 0 0 "[ . 1 . 2]" 2
212 1 62 SER CB 1 103 ILE CG1 11.483 . 12.483 11.581 11.010 11.849 . 0 0 "[ . 1 . 2]" 2
213 1 62 SER CB 1 104 GLY CA 15.217 . 16.217 15.165 14.866 15.529 . 0 0 "[ . 1 . 2]" 2
214 1 62 SER CB 1 105 SER CA 18.357 . 19.357 18.404 18.061 18.746 . 0 0 "[ . 1 . 2]" 2
215 1 62 SER CB 1 105 SER CB 19.097 . 20.097 19.106 18.745 19.360 . 0 0 "[ . 1 . 2]" 2
216 1 62 SER CB 1 106 PRO CA 21.197 . 22.197 21.217 20.986 21.418 . 0 0 "[ . 1 . 2]" 2
217 1 62 SER CB 1 106 PRO CG 21.372 . 22.372 21.183 20.691 21.838 . 0 0 "[ . 1 . 2]" 2
218 1 63 CYS CA 1 64 ARG CA 3.862 . 4.862 3.859 3.853 3.865 . 0 0 "[ . 1 . 2]" 2
219 1 63 CYS CA 1 64 ARG CD 5.169 . 6.169 5.694 5.080 6.072 . 0 0 "[ . 1 . 2]" 2
220 1 63 CYS CA 1 65 ALA CA 5.525 . 6.525 5.438 5.315 5.537 . 0 0 "[ . 1 . 2]" 2
221 1 63 CYS CA 1 65 ALA CB 5.165 . 6.165 5.185 5.040 5.324 . 0 0 "[ . 1 . 2]" 2
222 1 63 CYS CA 1 66 GLY CA 7.599 . 8.599 7.017 6.937 7.056 . 0 0 "[ . 1 . 2]" 2
223 1 63 CYS CA 1 67 ALA CA 6.679 . 7.679 6.524 6.413 6.645 . 0 0 "[ . 1 . 2]" 2
224 1 63 CYS CA 1 67 ALA CB 6.100 . 7.100 6.119 5.975 6.354 . 0 0 "[ . 1 . 2]" 2
225 1 63 CYS CA 1 68 CYS CA 6.565 . 7.565 6.350 6.243 6.448 . 0 0 "[ . 1 . 2]" 2
226 1 63 CYS CA 1 68 CYS SG 4.825 . 5.825 4.694 4.642 4.736 . 0 0 "[ . 1 . 2]" 2
227 1 63 CYS CA 1 69 ALA CA 9.459 . 10.459 8.805 8.739 8.884 . 0 0 "[ . 1 . 2]" 2
228 1 63 CYS CA 1 69 ALA CB 10.731 . 11.731 10.111 10.037 10.209 . 0 0 "[ . 1 . 2]" 2
229 1 63 CYS CA 1 70 ASN CA 8.435 . 9.435 8.081 7.983 8.216 . 0 0 "[ . 1 . 2]" 2
230 1 63 CYS CA 1 70 ASN CG 7.166 . 8.166 7.126 6.345 7.402 . 0 0 "[ . 1 . 2]" 2
231 1 63 CYS CA 1 71 CYS CA 9.404 . 10.404 8.846 8.776 8.918 . 0 0 "[ . 1 . 2]" 2
232 1 63 CYS CA 1 71 CYS SG 8.014 . 9.014 7.889 7.828 7.944 . 0 0 "[ . 1 . 2]" 2
233 1 63 CYS CA 1 72 ALA CA 12.204 . 13.204 11.564 11.339 11.670 . 0 0 "[ . 1 . 2]" 2
234 1 63 CYS CA 1 72 ALA CB 12.577 . 13.577 12.020 11.649 12.229 . 0 0 "[ . 1 . 2]" 2
235 1 63 CYS CA 1 87 ILE CA 11.854 . 12.854 11.729 11.228 12.183 . 0 0 "[ . 1 . 2]" 2
236 1 63 CYS CA 1 87 ILE CG1 10.749 . 11.749 9.837 9.251 10.491 . 0 0 "[ . 1 . 2]" 2
237 1 63 CYS CA 1 100 LEU CA 11.302 . 12.302 10.725 10.368 10.929 . 0 0 "[ . 1 . 2]" 2
238 1 63 CYS CA 1 100 LEU CD1 9.962 . 10.962 10.243 8.947 11.731 0.769 18 1 "[ . 1 . + 2]" 2
239 1 63 CYS CA 1 101 THR CA 11.908 . 12.908 11.542 11.216 11.936 . 0 0 "[ . 1 . 2]" 2
240 1 63 CYS CA 1 101 THR CG2 13.530 . 14.530 12.999 11.886 13.458 . 0 0 "[ . 1 . 2]" 2
241 1 63 CYS CA 1 102 CYS CA 8.784 . 9.784 8.724 8.423 9.002 . 0 0 "[ . 1 . 2]" 2
242 1 63 CYS CA 1 102 CYS SG 6.935 . 7.935 6.783 6.651 6.971 . 0 0 "[ . 1 . 2]" 2
243 1 63 CYS CA 1 103 ILE CA 10.476 . 11.476 10.143 9.829 10.424 . 0 0 "[ . 1 . 2]" 2
244 1 63 CYS CA 1 103 ILE CG1 9.559 . 10.559 8.999 8.013 9.342 . 0 0 "[ . 1 . 2]" 2
245 1 63 CYS CA 1 104 GLY CA 13.903 . 14.903 13.393 13.075 13.793 . 0 0 "[ . 1 . 2]" 2
246 1 63 CYS CA 1 105 SER CA 16.963 . 17.963 16.755 16.390 17.040 . 0 0 "[ . 1 . 2]" 2
247 1 63 CYS CA 1 105 SER CB 17.392 . 18.392 17.176 16.808 17.469 . 0 0 "[ . 1 . 2]" 2
248 1 63 CYS CA 1 106 PRO CA 20.288 . 21.288 20.024 19.739 20.216 . 0 0 "[ . 1 . 2]" 2
249 1 63 CYS CA 1 106 PRO CG 20.430 . 21.430 20.109 19.632 20.596 . 0 0 "[ . 1 . 2]" 2
250 1 63 CYS SG 1 64 ARG CA 3.819 . 4.819 3.994 3.922 4.112 . 0 0 "[ . 1 . 2]" 2
251 1 63 CYS SG 1 64 ARG CD 6.778 . 7.778 7.046 6.618 7.281 . 0 0 "[ . 1 . 2]" 2
252 1 63 CYS SG 1 65 ALA CA 3.954 . 4.954 4.193 4.105 4.248 . 0 0 "[ . 1 . 2]" 2
253 1 63 CYS SG 1 65 ALA CB 4.010 . 5.010 4.353 4.187 4.457 . 0 0 "[ . 1 . 2]" 2
254 1 63 CYS SG 1 66 GLY CA 4.956 . 5.956 4.439 4.388 4.487 . 0 0 "[ . 1 . 2]" 2
255 1 63 CYS SG 1 67 ALA CA 4.117 . 5.117 4.168 4.130 4.206 . 0 0 "[ . 1 . 2]" 2
256 1 63 CYS SG 1 67 ALA CB 3.880 . 4.880 4.227 4.167 4.293 . 0 0 "[ . 1 . 2]" 2
257 1 63 CYS SG 1 68 CYS CA 4.602 . 5.602 4.450 4.361 4.551 . 0 0 "[ . 1 . 2]" 2
258 1 63 CYS SG 1 68 CYS SG 3.690 . 4.690 3.600 3.591 3.609 . 0 0 "[ . 1 . 2]" 2
259 1 63 CYS SG 1 69 ALA CA 7.737 . 8.737 7.120 7.012 7.283 . 0 0 "[ . 1 . 2]" 2
260 1 63 CYS SG 1 69 ALA CB 9.011 . 10.011 8.416 8.302 8.558 . 0 0 "[ . 1 . 2]" 2
261 1 63 CYS SG 1 70 ASN CA 7.739 . 8.739 7.529 7.450 7.608 . 0 0 "[ . 1 . 2]" 2
262 1 63 CYS SG 1 70 ASN CG 7.092 . 8.092 7.258 6.479 7.534 . 0 0 "[ . 1 . 2]" 2
263 1 63 CYS SG 1 71 CYS CA 8.422 . 9.422 7.912 7.861 7.955 . 0 0 "[ . 1 . 2]" 2
264 1 63 CYS SG 1 71 CYS SG 6.506 . 7.506 6.320 6.307 6.327 . 0 0 "[ . 1 . 2]" 2
265 1 63 CYS SG 1 72 ALA CA 10.554 . 11.554 9.951 9.601 10.119 . 0 0 "[ . 1 . 2]" 2
266 1 63 CYS SG 1 72 ALA CB 10.876 . 11.876 10.431 9.879 10.666 . 0 0 "[ . 1 . 2]" 2
267 1 63 CYS SG 1 87 ILE CA 9.231 . 10.231 9.236 8.749 9.673 . 0 0 "[ . 1 . 2]" 2
268 1 63 CYS SG 1 87 ILE CG1 8.334 . 9.334 7.434 6.713 8.327 . 0 0 "[ . 1 . 2]" 2
269 1 63 CYS SG 1 100 LEU CA 9.310 . 10.310 8.483 8.138 8.686 . 0 0 "[ . 1 . 2]" 2
270 1 63 CYS SG 1 100 LEU CD1 7.394 . 8.394 7.584 6.238 9.081 0.687 18 1 "[ . 1 . + 2]" 2
271 1 63 CYS SG 1 101 THR CA 10.639 . 11.639 9.961 9.663 10.348 . 0 0 "[ . 1 . 2]" 2
272 1 63 CYS SG 1 101 THR CG2 12.400 . 13.400 11.571 10.862 11.959 . 0 0 "[ . 1 . 2]" 2
273 1 63 CYS SG 1 102 CYS CA 7.848 . 8.848 7.554 7.325 7.843 . 0 0 "[ . 1 . 2]" 2
274 1 63 CYS SG 1 102 CYS SG 5.412 . 6.412 5.087 4.903 5.305 . 0 0 "[ . 1 . 2]" 2
275 1 63 CYS SG 1 103 ILE CA 8.844 . 9.844 8.332 8.086 8.486 . 0 0 "[ . 1 . 2]" 2
276 1 63 CYS SG 1 103 ILE CG1 7.421 . 8.421 6.776 6.070 7.113 . 0 0 "[ . 1 . 2]" 2
277 1 63 CYS SG 1 104 GLY CA 12.143 . 13.143 11.339 11.048 11.677 . 0 0 "[ . 1 . 2]" 2
278 1 63 CYS SG 1 105 SER CA 15.506 . 16.506 14.917 14.606 15.078 . 0 0 "[ . 1 . 2]" 2
279 1 63 CYS SG 1 105 SER CB 15.975 . 16.975 15.385 15.108 15.552 . 0 0 "[ . 1 . 2]" 2
280 1 63 CYS SG 1 106 PRO CA 18.787 . 19.787 18.128 17.867 18.315 . 0 0 "[ . 1 . 2]" 2
281 1 63 CYS SG 1 106 PRO CG 19.219 . 20.219 18.474 18.109 18.908 . 0 0 "[ . 1 . 2]" 2
282 1 64 ARG CA 1 64 ARG CD 3.795 . 4.795 3.670 3.255 3.849 . 0 0 "[ . 1 . 2]" 2
283 1 64 ARG CA 1 65 ALA CA 3.845 . 4.845 3.833 3.829 3.836 . 0 0 "[ . 1 . 2]" 2
284 1 64 ARG CA 1 65 ALA CB 4.459 . 5.459 4.542 4.537 4.546 . 0 0 "[ . 1 . 2]" 2
285 1 64 ARG CA 1 66 GLY CA 6.208 . 7.208 6.022 6.006 6.059 . 0 0 "[ . 1 . 2]" 2
286 1 64 ARG CA 1 67 ALA CA 7.407 . 8.407 7.663 7.603 7.770 . 0 0 "[ . 1 . 2]" 2
287 1 64 ARG CA 1 67 ALA CB 7.239 . 8.239 7.569 7.482 7.685 . 0 0 "[ . 1 . 2]" 2
288 1 64 ARG CA 1 68 CYS CA 7.765 . 8.765 8.214 8.088 8.377 . 0 0 "[ . 1 . 2]" 2
289 1 64 ARG CA 1 68 CYS SG 5.977 . 6.977 6.618 6.557 6.714 . 0 0 "[ . 1 . 2]" 2
290 1 64 ARG CA 1 69 ALA CA 9.873 . 10.873 9.959 9.795 10.220 . 0 0 "[ . 1 . 2]" 2
291 1 64 ARG CA 1 69 ALA CB 11.355 . 12.355 11.434 11.274 11.684 . 0 0 "[ . 1 . 2]" 2
292 1 64 ARG CA 1 70 ASN CA 8.814 . 9.814 9.406 9.243 9.607 . 0 0 "[ . 1 . 2]" 2
293 1 64 ARG CA 1 70 ASN CG 8.578 . 9.578 9.313 7.775 9.562 . 0 0 "[ . 1 . 2]" 2
294 1 64 ARG CA 1 71 CYS CA 8.094 . 9.094 8.490 8.383 8.621 . 0 0 "[ . 1 . 2]" 2
295 1 64 ARG CA 1 71 CYS SG 6.235 . 7.235 6.916 6.793 7.067 . 0 0 "[ . 1 . 2]" 2
296 1 64 ARG CA 1 72 ALA CA 10.972 . 11.972 11.351 10.976 11.554 . 0 0 "[ . 1 . 2]" 2
297 1 64 ARG CA 1 72 ALA CB 11.765 . 12.765 12.246 11.739 12.478 . 0 0 "[ . 1 . 2]" 2
298 1 64 ARG CA 1 87 ILE CA 12.154 . 13.154 12.619 12.198 12.998 . 0 0 "[ . 1 . 2]" 2
299 1 64 ARG CA 1 87 ILE CG1 11.473 . 12.473 10.953 10.128 12.143 . 0 0 "[ . 1 . 2]" 2
300 1 64 ARG CA 1 100 LEU CA 8.863 . 9.863 9.124 8.663 9.494 . 0 0 "[ . 1 . 2]" 2
301 1 64 ARG CA 1 100 LEU CD1 8.335 . 9.335 9.286 8.029 10.414 1.078 14 7 "[* .**- 1 +.* * 2]" 2
302 1 64 ARG CA 1 101 THR CA 8.782 . 9.782 9.086 8.732 9.572 . 0 0 "[ . 1 . 2]" 2
303 1 64 ARG CA 1 101 THR CG2 10.716 . 11.716 10.892 9.446 11.499 . 0 0 "[ . 1 . 2]" 2
304 1 64 ARG CA 1 102 CYS CA 5.230 . 6.230 5.614 5.261 6.034 . 0 0 "[ . 1 . 2]" 2
305 1 64 ARG CA 1 102 CYS SG 3.885 . 4.885 4.422 4.189 4.670 . 0 0 "[ . 1 . 2]" 2
306 1 64 ARG CA 1 103 ILE CA 6.979 . 7.979 7.039 6.608 7.484 . 0 0 "[ . 1 . 2]" 2
307 1 64 ARG CA 1 103 ILE CG1 6.694 . 7.694 6.618 5.347 7.126 . 0 0 "[ . 1 . 2]" 2
308 1 64 ARG CA 1 104 GLY CA 10.461 . 11.461 10.545 10.113 10.973 . 0 0 "[ . 1 . 2]" 2
309 1 64 ARG CA 1 105 SER CA 13.259 . 14.259 13.553 13.087 13.926 . 0 0 "[ . 1 . 2]" 2
310 1 64 ARG CA 1 105 SER CB 13.646 . 14.646 13.848 13.362 14.258 . 0 0 "[ . 1 . 2]" 2
311 1 64 ARG CA 1 106 PRO CA 16.660 . 17.660 16.976 16.592 17.285 . 0 0 "[ . 1 . 2]" 2
312 1 64 ARG CA 1 106 PRO CG 16.690 . 17.690 16.851 16.305 17.252 . 0 0 "[ . 1 . 2]" 2
313 1 64 ARG CD 1 65 ALA CA 7.402 . 8.402 7.290 6.934 7.382 . 0 0 "[ . 1 . 2]" 2
314 1 64 ARG CD 1 65 ALA CB 7.639 . 8.639 7.783 7.599 7.861 . 0 0 "[ . 1 . 2]" 2
315 1 64 ARG CD 1 66 GLY CA 9.982 . 10.982 9.579 8.830 9.847 . 0 0 "[ . 1 . 2]" 2
316 1 64 ARG CD 1 67 ALA CA 10.805 . 11.805 11.063 10.612 11.271 . 0 0 "[ . 1 . 2]" 2
317 1 64 ARG CD 1 67 ALA CB 10.500 . 11.500 10.910 10.496 11.141 . 0 0 "[ . 1 . 2]" 2
318 1 64 ARG CD 1 68 CYS CA 10.431 . 11.431 10.912 10.339 11.175 . 0 0 "[ . 1 . 2]" 2
319 1 64 ARG CD 1 68 CYS SG 8.020 . 9.020 8.687 8.082 8.938 . 0 0 "[ . 1 . 2]" 2
320 1 64 ARG CD 1 69 ALA CA 12.130 . 13.130 12.047 11.095 12.429 . 0 0 "[ . 1 . 2]" 2
321 1 64 ARG CD 1 69 ALA CB 13.603 . 14.603 13.554 12.625 13.936 . 0 0 "[ . 1 . 2]" 2
322 1 64 ARG CD 1 70 ASN CA 9.923 . 10.923 10.359 9.635 10.754 . 0 0 "[ . 1 . 2]" 2
323 1 64 ARG CD 1 70 ASN CG 9.299 . 10.299 10.042 8.475 10.311 0.012 7 0 "[ . 1 . 2]" 2
324 1 64 ARG CD 1 71 CYS CA 9.318 . 10.318 9.285 8.065 9.813 . 0 0 "[ . 1 . 2]" 2
325 1 64 ARG CD 1 71 CYS SG 8.417 . 9.417 8.597 7.228 9.170 . 0 0 "[ . 1 . 2]" 2
326 1 64 ARG CD 1 72 ALA CA 12.880 . 13.880 12.798 11.512 13.352 . 0 0 "[ . 1 . 2]" 2
327 1 64 ARG CD 1 72 ALA CB 13.747 . 14.747 13.758 12.566 14.269 . 0 0 "[ . 1 . 2]" 2
328 1 64 ARG CD 1 87 ILE CA 15.655 . 16.655 15.949 15.473 16.490 . 0 0 "[ . 1 . 2]" 2
329 1 64 ARG CD 1 87 ILE CG1 14.665 . 15.665 14.113 13.352 15.215 . 0 0 "[ . 1 . 2]" 2
330 1 64 ARG CD 1 100 LEU CA 11.441 . 12.441 11.416 9.901 12.093 . 0 0 "[ . 1 . 2]" 2
331 1 64 ARG CD 1 100 LEU CD1 11.717 . 12.717 12.331 11.065 13.646 0.929 6 4 "[* .+* 1 -. 2]" 2
332 1 64 ARG CD 1 101 THR CA 10.305 . 11.305 10.305 8.494 11.039 . 0 0 "[ . 1 . 2]" 2
333 1 64 ARG CD 1 101 THR CG2 11.785 . 12.785 11.676 9.280 12.670 . 0 0 "[ . 1 . 2]" 2
334 1 64 ARG CD 1 102 CYS CA 6.936 . 7.936 6.896 5.034 7.630 . 0 0 "[ . 1 . 2]" 2
335 1 64 ARG CD 1 102 CYS SG 6.847 . 7.847 6.893 5.400 7.496 . 0 0 "[ . 1 . 2]" 2
336 1 64 ARG CD 1 103 ILE CA 9.681 . 10.681 9.393 7.739 10.323 . 0 0 "[ . 1 . 2]" 2
337 1 64 ARG CD 1 103 ILE CG1 10.031 . 11.031 9.631 8.315 10.499 . 0 0 "[ . 1 . 2]" 2
338 1 64 ARG CD 1 104 GLY CA 12.812 . 13.812 12.614 10.806 13.424 . 0 0 "[ . 1 . 2]" 2
339 1 64 ARG CD 1 105 SER CA 14.991 . 15.991 15.058 13.121 15.826 . 0 0 "[ . 1 . 2]" 2
340 1 64 ARG CD 1 105 SER CB 15.381 . 16.381 15.373 13.421 16.086 . 0 0 "[ . 1 . 2]" 2
341 1 64 ARG CD 1 106 PRO CA 18.202 . 19.202 18.291 16.428 19.091 . 0 0 "[ . 1 . 2]" 2
342 1 64 ARG CD 1 106 PRO CG 17.777 . 18.777 17.728 15.916 18.689 . 0 0 "[ . 1 . 2]" 2
343 1 65 ALA CA 1 66 GLY CA 3.851 . 4.851 3.837 3.833 3.841 . 0 0 "[ . 1 . 2]" 2
344 1 65 ALA CA 1 67 ALA CA 5.454 . 6.454 5.674 5.583 5.719 . 0 0 "[ . 1 . 2]" 2
345 1 65 ALA CA 1 67 ALA CB 5.085 . 6.085 5.356 5.246 5.408 . 0 0 "[ . 1 . 2]" 2
346 1 65 ALA CA 1 68 CYS CA 7.685 . 8.685 7.984 7.922 8.032 . 0 0 "[ . 1 . 2]" 2
347 1 65 ALA CA 1 68 CYS SG 7.226 . 8.226 7.682 7.543 7.769 . 0 0 "[ . 1 . 2]" 2
348 1 65 ALA CA 1 69 ALA CA 10.445 . 11.445 10.582 10.446 10.669 . 0 0 "[ . 1 . 2]" 2
349 1 65 ALA CA 1 69 ALA CB 11.750 . 12.750 11.852 11.718 11.951 . 0 0 "[ . 1 . 2]" 2
350 1 65 ALA CA 1 70 ASN CA 10.778 . 11.778 11.329 11.189 11.478 . 0 0 "[ . 1 . 2]" 2
351 1 65 ALA CA 1 70 ASN CG 10.673 . 11.673 11.320 10.163 11.616 . 0 0 "[ . 1 . 2]" 2
352 1 65 ALA CA 1 71 CYS CA 10.191 . 11.191 10.667 10.543 10.893 . 0 0 "[ . 1 . 2]" 2
353 1 65 ALA CA 1 71 CYS SG 7.702 . 8.702 8.442 8.323 8.658 . 0 0 "[ . 1 . 2]" 2
354 1 65 ALA CA 1 72 ALA CA 12.045 . 13.045 12.583 12.113 12.808 . 0 0 "[ . 1 . 2]" 2
355 1 65 ALA CA 1 72 ALA CB 12.674 . 13.674 13.360 12.685 13.640 . 0 0 "[ . 1 . 2]" 2
356 1 65 ALA CA 1 87 ILE CA 10.037 . 11.037 10.666 10.325 10.979 . 0 0 "[ . 1 . 2]" 2
357 1 65 ALA CA 1 87 ILE CG1 10.087 . 11.087 9.539 8.426 10.829 . 0 0 "[ . 1 . 2]" 2
358 1 65 ALA CA 1 100 LEU CA 9.145 . 10.145 9.253 8.850 9.567 . 0 0 "[ . 1 . 2]" 2
359 1 65 ALA CA 1 100 LEU CD1 7.280 . 8.280 8.140 6.863 9.811 1.532 14 5 "[ .* - 1 +.* * 2]" 2
360 1 65 ALA CA 1 101 THR CA 10.132 . 11.132 10.293 9.863 10.599 . 0 0 "[ . 1 . 2]" 2
361 1 65 ALA CA 1 101 THR CG2 12.398 . 13.398 12.442 11.580 12.702 . 0 0 "[ . 1 . 2]" 2
362 1 65 ALA CA 1 102 CYS CA 6.912 . 7.912 7.207 6.785 7.454 . 0 0 "[ . 1 . 2]" 2
363 1 65 ALA CA 1 102 CYS SG 4.865 . 5.865 5.421 5.169 5.660 . 0 0 "[ . 1 . 2]" 2
364 1 65 ALA CA 1 103 ILE CA 6.436 . 7.436 6.486 6.149 7.001 . 0 0 "[ . 1 . 2]" 2
365 1 65 ALA CA 1 103 ILE CG1 5.403 . 6.403 5.334 3.937 5.786 . 0 0 "[ . 1 . 2]" 2
366 1 65 ALA CA 1 104 GLY CA 10.140 . 11.140 10.090 9.719 10.776 . 0 0 "[ . 1 . 2]" 2
367 1 65 ALA CA 1 105 SER CA 13.184 . 14.184 13.316 13.032 13.733 . 0 0 "[ . 1 . 2]" 2
368 1 65 ALA CA 1 105 SER CB 13.339 . 14.339 13.385 13.117 13.692 . 0 0 "[ . 1 . 2]" 2
369 1 65 ALA CA 1 106 PRO CA 16.777 . 17.777 16.920 16.649 17.369 . 0 0 "[ . 1 . 2]" 2
370 1 65 ALA CA 1 106 PRO CG 17.170 . 18.170 17.189 16.862 17.486 . 0 0 "[ . 1 . 2]" 2
371 1 65 ALA CB 1 66 GLY CA 4.905 . 5.905 4.755 4.751 4.762 . 0 0 "[ . 1 . 2]" 2
372 1 65 ALA CB 1 67 ALA CA 5.536 . 6.536 5.567 5.430 5.640 . 0 0 "[ . 1 . 2]" 2
373 1 65 ALA CB 1 67 ALA CB 4.752 . 5.752 4.847 4.691 4.930 . 0 0 "[ . 1 . 2]" 2
374 1 65 ALA CB 1 68 CYS CA 8.014 . 9.014 8.112 8.007 8.195 . 0 0 "[ . 1 . 2]" 2
375 1 65 ALA CB 1 68 CYS SG 7.621 . 8.621 7.936 7.761 8.043 . 0 0 "[ . 1 . 2]" 2
376 1 65 ALA CB 1 69 ALA CA 11.149 . 12.149 11.109 10.971 11.197 . 0 0 "[ . 1 . 2]" 2
377 1 65 ALA CB 1 69 ALA CB 12.396 . 13.396 12.318 12.182 12.420 . 0 0 "[ . 1 . 2]" 2
378 1 65 ALA CB 1 70 ASN CA 11.471 . 12.471 11.830 11.676 11.981 . 0 0 "[ . 1 . 2]" 2
379 1 65 ALA CB 1 70 ASN CG 11.049 . 12.049 11.532 10.563 11.822 . 0 0 "[ . 1 . 2]" 2
380 1 65 ALA CB 1 71 CYS CA 11.289 . 12.289 11.608 11.476 11.800 . 0 0 "[ . 1 . 2]" 2
381 1 65 ALA CB 1 71 CYS SG 8.905 . 9.905 9.531 9.396 9.733 . 0 0 "[ . 1 . 2]" 2
382 1 65 ALA CB 1 72 ALA CA 13.234 . 14.234 13.560 13.118 13.773 . 0 0 "[ . 1 . 2]" 2
383 1 65 ALA CB 1 72 ALA CB 13.768 . 14.768 14.221 13.567 14.490 . 0 0 "[ . 1 . 2]" 2
384 1 65 ALA CB 1 87 ILE CA 10.427 . 11.427 10.857 10.445 11.349 . 0 0 "[ . 1 . 2]" 2
385 1 65 ALA CB 1 87 ILE CG1 10.464 . 11.464 9.759 8.683 10.822 . 0 0 "[ . 1 . 2]" 2
386 1 65 ALA CB 1 100 LEU CA 10.589 . 11.589 10.544 10.140 10.876 . 0 0 "[ . 1 . 2]" 2
387 1 65 ALA CB 1 100 LEU CD1 8.510 . 9.510 9.166 7.830 10.804 1.295 14 4 "[ .* 1 +.* - 2]" 2
388 1 65 ALA CB 1 101 THR CA 11.598 . 12.598 11.734 11.317 12.029 . 0 0 "[ . 1 . 2]" 2
389 1 65 ALA CB 1 101 THR CG2 13.827 . 14.827 13.827 12.947 14.098 . 0 0 "[ . 1 . 2]" 2
390 1 65 ALA CB 1 102 CYS CA 8.283 . 9.283 8.640 8.228 8.899 . 0 0 "[ . 1 . 2]" 2
391 1 65 ALA CB 1 102 CYS SG 6.258 . 7.258 6.763 6.512 6.977 . 0 0 "[ . 1 . 2]" 2
392 1 65 ALA CB 1 103 ILE CA 7.914 . 8.914 7.995 7.651 8.510 . 0 0 "[ . 1 . 2]" 2
393 1 65 ALA CB 1 103 ILE CG1 6.892 . 7.892 6.745 5.421 7.147 . 0 0 "[ . 1 . 2]" 2
394 1 65 ALA CB 1 104 GLY CA 11.641 . 12.641 11.569 11.186 12.270 . 0 0 "[ . 1 . 2]" 2
395 1 65 ALA CB 1 105 SER CA 14.616 . 15.616 14.804 14.514 15.242 . 0 0 "[ . 1 . 2]" 2
396 1 65 ALA CB 1 105 SER CB 14.705 . 15.705 14.839 14.582 15.172 . 0 0 "[ . 1 . 2]" 2
397 1 65 ALA CB 1 106 PRO CA 18.247 . 19.247 18.416 18.136 18.885 . 0 0 "[ . 1 . 2]" 2
398 1 65 ALA CB 1 106 PRO CG 18.599 . 19.599 18.703 18.383 19.005 . 0 0 "[ . 1 . 2]" 2
399 1 66 GLY CA 1 67 ALA CA 3.846 . 4.846 3.832 3.829 3.836 . 0 0 "[ . 1 . 2]" 2
400 1 66 GLY CA 1 67 ALA CB 4.587 . 5.587 4.591 4.578 4.609 . 0 0 "[ . 1 . 2]" 2
401 1 66 GLY CA 1 68 CYS CA 6.034 . 7.034 6.017 5.931 6.054 . 0 0 "[ . 1 . 2]" 2
402 1 66 GLY CA 1 68 CYS SG 6.656 . 7.656 6.639 6.421 6.769 . 0 0 "[ . 1 . 2]" 2
403 1 66 GLY CA 1 69 ALA CA 8.109 . 9.109 8.099 7.898 8.182 . 0 0 "[ . 1 . 2]" 2
404 1 66 GLY CA 1 69 ALA CB 9.228 . 10.228 9.174 8.978 9.332 . 0 0 "[ . 1 . 2]" 2
405 1 66 GLY CA 1 70 ASN CA 9.609 . 10.609 9.951 9.758 10.143 . 0 0 "[ . 1 . 2]" 2
406 1 66 GLY CA 1 70 ASN CG 10.148 . 11.148 10.550 9.586 10.895 . 0 0 "[ . 1 . 2]" 2
407 1 66 GLY CA 1 71 CYS CA 8.928 . 9.928 9.179 8.898 9.524 . 0 0 "[ . 1 . 2]" 2
408 1 66 GLY CA 1 71 CYS SG 6.291 . 7.291 6.640 6.323 7.034 . 0 0 "[ . 1 . 2]" 2
409 1 66 GLY CA 1 72 ALA CA 9.586 . 10.586 10.001 9.481 10.288 . 0 0 "[ . 1 . 2]" 2
410 1 66 GLY CA 1 72 ALA CB 10.032 . 11.032 10.677 9.898 10.984 . 0 0 "[ . 1 . 2]" 2
411 1 66 GLY CA 1 87 ILE CA 6.768 . 7.768 7.392 7.008 7.784 0.016 6 0 "[ . 1 . 2]" 2
412 1 66 GLY CA 1 87 ILE CG1 7.075 . 8.075 6.422 5.224 8.064 . 0 0 "[ . 1 . 2]" 2
413 1 66 GLY CA 1 100 LEU CA 6.739 . 7.739 6.371 5.942 6.809 . 0 0 "[ . 1 . 2]" 2
414 1 66 GLY CA 1 100 LEU CD1 3.791 . 4.791 4.501 3.106 6.204 1.413 14 4 "[ .- 1 +.* * 2]" 2
415 1 66 GLY CA 1 101 THR CA 9.067 . 10.067 8.621 8.235 9.051 . 0 0 "[ . 1 . 2]" 2
416 1 66 GLY CA 1 101 THR CG2 11.143 . 12.143 10.647 10.107 10.934 . 0 0 "[ . 1 . 2]" 2
417 1 66 GLY CA 1 102 CYS CA 7.157 . 8.158 6.846 6.565 7.314 . 0 0 "[ . 1 . 2]" 2
418 1 66 GLY CA 1 102 CYS SG 4.652 . 5.652 4.469 4.235 4.911 . 0 0 "[ . 1 . 2]" 2
419 1 66 GLY CA 1 103 ILE CA 6.013 . 7.013 5.561 5.302 6.027 . 0 0 "[ . 1 . 2]" 2
420 1 66 GLY CA 1 103 ILE CG1 3.724 . 4.724 3.374 3.187 3.801 . 0 0 "[ . 1 . 2]" 2
421 1 66 GLY CA 1 104 GLY CA 8.802 . 9.802 8.169 7.896 8.807 . 0 0 "[ . 1 . 2]" 2
422 1 66 GLY CA 1 105 SER CA 12.413 . 13.413 11.849 11.598 12.326 . 0 0 "[ . 1 . 2]" 2
423 1 66 GLY CA 1 105 SER CB 12.823 . 13.823 12.194 11.941 12.595 . 0 0 "[ . 1 . 2]" 2
424 1 66 GLY CA 1 106 PRO CA 15.613 . 16.613 15.100 14.779 15.665 . 0 0 "[ . 1 . 2]" 2
425 1 66 GLY CA 1 106 PRO CG 16.502 . 17.502 15.813 15.500 16.396 . 0 0 "[ . 1 . 2]" 2
426 1 67 ALA CA 1 68 CYS CA 3.854 . 4.854 3.840 3.834 3.846 . 0 0 "[ . 1 . 2]" 2
427 1 67 ALA CA 1 68 CYS SG 5.464 . 6.464 5.569 5.478 5.641 . 0 0 "[ . 1 . 2]" 2
428 1 67 ALA CA 1 69 ALA CA 7.191 . 8.191 7.244 7.216 7.276 . 0 0 "[ . 1 . 2]" 2
429 1 67 ALA CA 1 69 ALA CB 8.011 . 9.011 7.994 7.939 8.057 . 0 0 "[ . 1 . 2]" 2
430 1 67 ALA CA 1 70 ASN CA 9.111 . 10.111 9.430 9.323 9.493 . 0 0 "[ . 1 . 2]" 2
431 1 67 ALA CA 1 70 ASN CG 8.913 . 9.913 9.423 8.822 9.777 . 0 0 "[ . 1 . 2]" 2
432 1 67 ALA CA 1 71 CYS CA 9.994 . 10.994 10.159 9.980 10.327 . 0 0 "[ . 1 . 2]" 2
433 1 67 ALA CA 1 71 CYS SG 7.866 . 8.866 8.244 7.999 8.508 . 0 0 "[ . 1 . 2]" 2
434 1 67 ALA CA 1 72 ALA CA 10.674 . 11.674 10.764 10.325 10.962 . 0 0 "[ . 1 . 2]" 2
435 1 67 ALA CA 1 72 ALA CB 10.633 . 11.633 10.936 10.204 11.227 . 0 0 "[ . 1 . 2]" 2
436 1 67 ALA CA 1 87 ILE CA 5.365 . 6.365 5.623 5.211 6.175 . 0 0 "[ . 1 . 2]" 2
437 1 67 ALA CA 1 87 ILE CG1 5.023 . 6.023 4.417 3.389 5.776 . 0 0 "[ . 1 . 2]" 2
438 1 67 ALA CA 1 100 LEU CA 9.431 . 10.431 8.832 8.431 9.191 . 0 0 "[ . 1 . 2]" 2
439 1 67 ALA CA 1 100 LEU CD1 6.121 . 7.121 6.420 4.985 7.951 0.830 18 1 "[ . 1 . + 2]" 2
440 1 67 ALA CA 1 101 THR CA 12.002 . 13.002 11.562 11.201 11.875 . 0 0 "[ . 1 . 2]" 2
441 1 67 ALA CA 1 101 THR CG2 13.752 . 14.752 13.213 12.484 13.711 . 0 0 "[ . 1 . 2]" 2
442 1 67 ALA CA 1 102 CYS CA 10.026 . 11.026 9.980 9.740 10.256 . 0 0 "[ . 1 . 2]" 2
443 1 67 ALA CA 1 102 CYS SG 7.282 . 8.282 7.292 7.071 7.565 . 0 0 "[ . 1 . 2]" 2
444 1 67 ALA CA 1 103 ILE CA 9.726 . 10.726 9.351 9.125 9.753 . 0 0 "[ . 1 . 2]" 2
445 1 67 ALA CA 1 103 ILE CG1 7.507 . 8.507 7.122 6.948 7.511 . 0 0 "[ . 1 . 2]" 2
446 1 67 ALA CA 1 104 GLY CA 12.514 . 13.514 11.731 11.477 12.253 . 0 0 "[ . 1 . 2]" 2
447 1 67 ALA CA 1 105 SER CA 16.190 . 17.190 15.495 15.252 15.973 . 0 0 "[ . 1 . 2]" 2
448 1 67 ALA CA 1 105 SER CB 16.650 . 17.650 15.915 15.624 16.343 . 0 0 "[ . 1 . 2]" 2
449 1 67 ALA CA 1 106 PRO CA 19.295 . 20.295 18.548 18.238 19.092 . 0 0 "[ . 1 . 2]" 2
450 1 67 ALA CA 1 106 PRO CG 20.194 . 21.194 19.383 19.037 19.955 . 0 0 "[ . 1 . 2]" 2
451 1 67 ALA CB 1 68 CYS CA 4.813 . 5.813 4.790 4.766 4.850 . 0 0 "[ . 1 . 2]" 2
452 1 67 ALA CB 1 68 CYS SG 6.012 . 7.012 6.182 6.133 6.236 . 0 0 "[ . 1 . 2]" 2
453 1 67 ALA CB 1 69 ALA CA 8.432 . 9.432 8.447 8.411 8.519 . 0 0 "[ . 1 . 2]" 2
454 1 67 ALA CB 1 69 ALA CB 9.275 . 10.275 9.223 9.170 9.306 . 0 0 "[ . 1 . 2]" 2
455 1 67 ALA CB 1 70 ASN CA 9.984 . 10.984 10.266 10.179 10.332 . 0 0 "[ . 1 . 2]" 2
456 1 67 ALA CB 1 70 ASN CG 9.464 . 10.464 9.940 9.353 10.277 . 0 0 "[ . 1 . 2]" 2
457 1 67 ALA CB 1 71 CYS CA 10.971 . 11.971 11.153 11.069 11.288 . 0 0 "[ . 1 . 2]" 2
458 1 67 ALA CB 1 71 CYS SG 8.835 . 9.835 9.302 9.134 9.533 . 0 0 "[ . 1 . 2]" 2
459 1 67 ALA CB 1 72 ALA CA 11.992 . 12.992 12.080 11.665 12.254 . 0 0 "[ . 1 . 2]" 2
460 1 67 ALA CB 1 72 ALA CB 11.999 . 12.999 12.260 11.570 12.522 . 0 0 "[ . 1 . 2]" 2
461 1 67 ALA CB 1 87 ILE CA 6.554 . 7.554 6.784 6.275 7.509 . 0 0 "[ . 1 . 2]" 2
462 1 67 ALA CB 1 87 ILE CG1 6.316 . 7.316 5.717 4.783 7.275 . 0 0 "[ . 1 . 2]" 2
463 1 67 ALA CB 1 100 LEU CA 10.609 . 11.609 10.129 9.732 10.473 . 0 0 "[ . 1 . 2]" 2
464 1 67 ALA CB 1 100 LEU CD1 7.430 . 8.430 7.791 6.339 9.310 0.880 18 3 "[ . - 1 .* + 2]" 2
465 1 67 ALA CB 1 101 THR CA 12.895 . 13.895 12.621 12.282 12.898 . 0 0 "[ . 1 . 2]" 2
466 1 67 ALA CB 1 101 THR CG2 14.746 . 15.746 14.352 13.699 14.791 . 0 0 "[ . 1 . 2]" 2
467 1 67 ALA CB 1 102 CYS CA 10.538 . 11.538 10.662 10.387 10.895 . 0 0 "[ . 1 . 2]" 2
468 1 67 ALA CB 1 102 CYS SG 7.844 . 8.844 8.034 7.802 8.290 . 0 0 "[ . 1 . 2]" 2
469 1 67 ALA CB 1 103 ILE CA 10.258 . 11.258 10.035 9.783 10.412 . 0 0 "[ . 1 . 2]" 2
470 1 67 ALA CB 1 103 ILE CG1 8.221 . 9.221 7.915 7.496 8.338 . 0 0 "[ . 1 . 2]" 2
471 1 67 ALA CB 1 104 GLY CA 13.334 . 14.334 12.725 12.426 13.313 . 0 0 "[ . 1 . 2]" 2
472 1 67 ALA CB 1 105 SER CA 16.897 . 17.897 16.427 16.132 16.895 . 0 0 "[ . 1 . 2]" 2
473 1 67 ALA CB 1 105 SER CB 17.257 . 18.257 16.749 16.484 17.170 . 0 0 "[ . 1 . 2]" 2
474 1 67 ALA CB 1 106 PRO CA 20.155 . 21.155 19.622 19.272 20.167 . 0 0 "[ . 1 . 2]" 2
475 1 67 ALA CB 1 106 PRO CG 20.944 . 21.944 20.373 20.058 20.915 . 0 0 "[ . 1 . 2]" 2
476 1 68 CYS CA 1 69 ALA CA 3.837 . 4.837 3.840 3.833 3.845 . 0 0 "[ . 1 . 2]" 2
477 1 68 CYS CA 1 69 ALA CB 4.739 . 5.739 4.626 4.605 4.659 . 0 0 "[ . 1 . 2]" 2
478 1 68 CYS CA 1 70 ASN CA 5.623 . 6.623 5.946 5.848 6.000 . 0 0 "[ . 1 . 2]" 2
479 1 68 CYS CA 1 70 ASN CG 5.431 . 6.431 6.016 5.390 6.388 . 0 0 "[ . 1 . 2]" 2
480 1 68 CYS CA 1 71 CYS CA 7.516 . 8.516 7.598 7.504 7.699 . 0 0 "[ . 1 . 2]" 2
481 1 68 CYS CA 1 71 CYS SG 6.261 . 7.261 6.551 6.434 6.725 . 0 0 "[ . 1 . 2]" 2
482 1 68 CYS CA 1 72 ALA CA 8.273 . 9.273 8.109 7.833 8.241 . 0 0 "[ . 1 . 2]" 2
483 1 68 CYS CA 1 72 ALA CB 7.975 . 8.975 7.976 7.430 8.227 . 0 0 "[ . 1 . 2]" 2
484 1 68 CYS CA 1 87 ILE CA 6.514 . 7.514 6.285 5.688 6.772 . 0 0 "[ . 1 . 2]" 2
485 1 68 CYS CA 1 87 ILE CG1 4.655 . 5.655 4.148 3.346 4.903 . 0 0 "[ . 1 . 2]" 2
486 1 68 CYS CA 1 100 LEU CA 8.774 . 9.774 8.266 7.911 8.629 . 0 0 "[ . 1 . 2]" 2
487 1 68 CYS CA 1 100 LEU CD1 6.404 . 7.404 6.835 5.648 8.381 0.977 18 5 "[* . ** - . + 2]" 2
488 1 68 CYS CA 1 101 THR CA 11.259 . 12.259 10.887 10.495 11.248 . 0 0 "[ . 1 . 2]" 2
489 1 68 CYS CA 1 101 THR CG2 12.430 . 13.430 11.945 11.078 12.558 . 0 0 "[ . 1 . 2]" 2
490 1 68 CYS CA 1 102 CYS CA 9.906 . 10.906 9.955 9.871 10.110 . 0 0 "[ . 1 . 2]" 2
491 1 68 CYS CA 1 102 CYS SG 7.375 . 8.375 7.335 7.223 7.500 . 0 0 "[ . 1 . 2]" 2
492 1 68 CYS CA 1 103 ILE CA 10.828 . 11.828 10.572 10.334 10.764 . 0 0 "[ . 1 . 2]" 2
493 1 68 CYS CA 1 103 ILE CG1 8.791 . 9.791 8.566 8.264 8.833 . 0 0 "[ . 1 . 2]" 2
494 1 68 CYS CA 1 104 GLY CA 13.157 . 14.157 12.489 12.288 12.765 . 0 0 "[ . 1 . 2]" 2
495 1 68 CYS CA 1 105 SER CA 16.884 . 17.884 16.262 16.015 16.490 . 0 0 "[ . 1 . 2]" 2
496 1 68 CYS CA 1 105 SER CB 17.639 . 18.639 16.992 16.816 17.254 . 0 0 "[ . 1 . 2]" 2
497 1 68 CYS CA 1 106 PRO CA 19.621 . 20.621 18.930 18.631 19.253 . 0 0 "[ . 1 . 2]" 2
498 1 68 CYS CA 1 106 PRO CG 20.462 . 21.462 19.681 19.301 20.184 . 0 0 "[ . 1 . 2]" 2
499 1 68 CYS SG 1 69 ALA CA 4.668 . 5.668 4.164 4.124 4.223 . 0 0 "[ . 1 . 2]" 2
500 1 68 CYS SG 1 69 ALA CB 5.965 . 6.965 5.448 5.396 5.517 . 0 0 "[ . 1 . 2]" 2
501 1 68 CYS SG 1 70 ASN CA 4.225 . 5.225 4.204 4.126 4.239 . 0 0 "[ . 1 . 2]" 2
502 1 68 CYS SG 1 70 ASN CG 3.656 . 4.656 4.031 3.496 4.328 . 0 0 "[ . 1 . 2]" 2
503 1 68 CYS SG 1 71 CYS CA 6.044 . 7.044 5.854 5.725 5.979 . 0 0 "[ . 1 . 2]" 2
504 1 68 CYS SG 1 71 CYS SG 5.087 . 6.087 5.295 5.083 5.456 . 0 0 "[ . 1 . 2]" 2
505 1 68 CYS SG 1 72 ALA CA 8.053 . 9.053 7.598 7.452 7.705 . 0 0 "[ . 1 . 2]" 2
506 1 68 CYS SG 1 72 ALA CB 8.103 . 9.103 7.719 7.411 7.931 . 0 0 "[ . 1 . 2]" 2
507 1 68 CYS SG 1 87 ILE CA 9.083 . 10.083 8.911 8.347 9.383 . 0 0 "[ . 1 . 2]" 2
508 1 68 CYS SG 1 87 ILE CG1 7.351 . 8.351 6.716 6.023 7.256 . 0 0 "[ . 1 . 2]" 2
509 1 68 CYS SG 1 100 LEU CA 8.543 . 9.543 8.238 7.958 8.546 . 0 0 "[ . 1 . 2]" 2
510 1 68 CYS SG 1 100 LEU CD1 7.210 . 8.210 7.838 6.131 9.448 1.239 18 6 "[* - . ** * . + 2]" 2
511 1 68 CYS SG 1 101 THR CA 10.134 . 11.134 9.952 9.646 10.282 . 0 0 "[ . 1 . 2]" 2
512 1 68 CYS SG 1 101 THR CG2 11.247 . 12.247 10.895 10.177 11.435 . 0 0 "[ . 1 . 2]" 2
513 1 68 CYS SG 1 102 CYS CA 8.418 . 9.418 8.650 8.571 8.704 . 0 0 "[ . 1 . 2]" 2
514 1 68 CYS SG 1 102 CYS SG 6.215 . 7.215 6.310 6.292 6.324 . 0 0 "[ . 1 . 2]" 2
515 1 68 CYS SG 1 103 ILE CA 10.219 . 11.219 10.196 10.017 10.430 . 0 0 "[ . 1 . 2]" 2
516 1 68 CYS SG 1 103 ILE CG1 8.687 . 9.687 8.630 8.409 8.832 . 0 0 "[ . 1 . 2]" 2
517 1 68 CYS SG 1 104 GLY CA 12.750 . 13.750 12.395 12.224 12.662 . 0 0 "[ . 1 . 2]" 2
518 1 68 CYS SG 1 105 SER CA 16.250 . 17.250 16.006 15.777 16.173 . 0 0 "[ . 1 . 2]" 2
519 1 68 CYS SG 1 105 SER CB 17.028 . 18.028 16.771 16.576 16.934 . 0 0 "[ . 1 . 2]" 2
520 1 68 CYS SG 1 106 PRO CA 19.053 . 20.053 18.734 18.527 18.910 . 0 0 "[ . 1 . 2]" 2
521 1 68 CYS SG 1 106 PRO CG 19.594 . 20.594 19.167 18.857 19.770 . 0 0 "[ . 1 . 2]" 2
522 1 69 ALA CA 1 70 ASN CA 3.850 . 4.850 3.830 3.827 3.832 . 0 0 "[ . 1 . 2]" 2
523 1 69 ALA CA 1 70 ASN CG 5.130 . 6.130 5.281 4.915 5.588 . 0 0 "[ . 1 . 2]" 2
524 1 69 ALA CA 1 71 CYS CA 5.735 . 6.735 5.342 5.213 5.391 . 0 0 "[ . 1 . 2]" 2
525 1 69 ALA CA 1 71 CYS SG 5.621 . 6.621 5.249 5.036 5.524 . 0 0 "[ . 1 . 2]" 2
526 1 69 ALA CA 1 72 ALA CA 5.249 . 6.249 4.710 4.572 4.796 . 0 0 "[ . 1 . 2]" 2
527 1 69 ALA CA 1 72 ALA CB 4.518 . 5.518 4.254 3.841 4.482 . 0 0 "[ . 1 . 2]" 2
528 1 69 ALA CA 1 87 ILE CA 7.664 . 8.664 7.626 6.890 8.228 . 0 0 "[ . 1 . 2]" 2
529 1 69 ALA CA 1 87 ILE CG1 5.544 . 6.544 5.627 4.743 6.203 . 0 0 "[ . 1 . 2]" 2
530 1 69 ALA CA 1 100 LEU CA 7.653 . 8.653 7.067 6.715 7.365 . 0 0 "[ . 1 . 2]" 2
531 1 69 ALA CA 1 100 LEU CD1 6.470 . 7.470 6.893 5.099 8.200 0.730 10 5 "[- * . * + . * 2]" 2
532 1 69 ALA CA 1 101 THR CA 10.302 . 11.302 9.536 9.056 10.048 . 0 0 "[ . 1 . 2]" 2
533 1 69 ALA CA 1 101 THR CG2 10.751 . 11.751 9.865 8.789 10.563 . 0 0 "[ . 1 . 2]" 2
534 1 69 ALA CA 1 102 CYS CA 10.274 . 11.274 9.864 9.730 10.102 . 0 0 "[ . 1 . 2]" 2
535 1 69 ALA CA 1 102 CYS SG 8.315 . 9.315 7.789 7.675 8.071 . 0 0 "[ . 1 . 2]" 2
536 1 69 ALA CA 1 103 ILE CA 11.577 . 12.577 11.132 10.596 11.412 . 0 0 "[ . 1 . 2]" 2
537 1 69 ALA CA 1 103 ILE CG1 9.713 . 10.713 9.496 9.049 10.132 . 0 0 "[ . 1 . 2]" 2
538 1 69 ALA CA 1 104 GLY CA 12.906 . 13.906 12.089 11.867 12.491 . 0 0 "[ . 1 . 2]" 2
539 1 69 ALA CA 1 105 SER CA 16.550 . 17.550 15.619 15.291 16.019 . 0 0 "[ . 1 . 2]" 2
540 1 69 ALA CA 1 105 SER CB 17.577 . 18.577 16.638 16.373 17.114 . 0 0 "[ . 1 . 2]" 2
541 1 69 ALA CA 1 106 PRO CA 18.675 . 19.675 17.689 17.338 18.003 . 0 0 "[ . 1 . 2]" 2
542 1 69 ALA CA 1 106 PRO CG 19.650 . 20.650 18.459 17.987 19.271 . 0 0 "[ . 1 . 2]" 2
543 1 69 ALA CB 1 70 ASN CA 4.899 . 5.899 4.788 4.769 4.799 . 0 0 "[ . 1 . 2]" 2
544 1 69 ALA CB 1 70 ASN CG 6.030 . 7.030 6.116 5.793 6.847 . 0 0 "[ . 1 . 2]" 2
545 1 69 ALA CB 1 71 CYS CA 6.991 . 7.991 6.553 6.418 6.623 . 0 0 "[ . 1 . 2]" 2
546 1 69 ALA CB 1 71 CYS SG 7.071 . 8.071 6.624 6.396 6.916 . 0 0 "[ . 1 . 2]" 2
547 1 69 ALA CB 1 72 ALA CA 5.897 . 6.897 5.182 5.090 5.278 . 0 0 "[ . 1 . 2]" 2
548 1 69 ALA CB 1 72 ALA CB 4.818 . 5.818 4.315 3.950 4.516 . 0 0 "[ . 1 . 2]" 2
549 1 69 ALA CB 1 87 ILE CA 7.622 . 8.622 7.391 6.613 8.142 . 0 0 "[ . 1 . 2]" 2
550 1 69 ALA CB 1 87 ILE CG1 5.376 . 6.376 5.596 4.594 6.323 . 0 0 "[ . 1 . 2]" 2
551 1 69 ALA CB 1 100 LEU CA 8.733 . 9.733 7.976 7.629 8.257 . 0 0 "[ . 1 . 2]" 2
552 1 69 ALA CB 1 100 LEU CD1 7.430 . 8.430 7.588 6.037 8.888 0.458 10 0 "[ . 1 . 2]" 2
553 1 69 ALA CB 1 101 THR CA 11.551 . 12.551 10.652 10.161 11.207 . 0 0 "[ . 1 . 2]" 2
554 1 69 ALA CB 1 101 THR CG2 11.844 . 12.844 10.818 9.689 11.543 . 0 0 "[ . 1 . 2]" 2
555 1 69 ALA CB 1 102 CYS CA 11.744 . 12.744 11.263 11.112 11.538 . 0 0 "[ . 1 . 2]" 2
556 1 69 ALA CB 1 102 CYS SG 9.788 . 10.788 9.204 9.063 9.526 . 0 0 "[ . 1 . 2]" 2
557 1 69 ALA CB 1 103 ILE CA 12.899 . 13.899 12.349 11.710 12.650 . 0 0 "[ . 1 . 2]" 2
558 1 69 ALA CB 1 103 ILE CG1 10.948 . 11.948 10.638 10.154 11.403 . 0 0 "[ . 1 . 2]" 2
559 1 69 ALA CB 1 104 GLY CA 14.041 . 15.041 13.046 12.786 13.562 . 0 0 "[ . 1 . 2]" 2
560 1 69 ALA CB 1 105 SER CA 17.691 . 18.691 16.541 16.203 17.069 . 0 0 "[ . 1 . 2]" 2
561 1 69 ALA CB 1 105 SER CB 18.745 . 19.745 17.596 17.334 18.188 . 0 0 "[ . 1 . 2]" 2
562 1 69 ALA CB 1 106 PRO CA 19.661 . 20.661 18.419 18.044 18.829 . 0 0 "[ . 1 . 2]" 2
563 1 69 ALA CB 1 106 PRO CG 20.743 . 21.743 19.317 18.823 20.218 . 0 0 "[ . 1 . 2]" 2
564 1 70 ASN CA 1 71 CYS CA 3.838 . 4.838 3.827 3.817 3.831 . 0 0 "[ . 1 . 2]" 2
565 1 70 ASN CA 1 71 CYS SG 5.016 . 6.016 5.345 5.248 5.467 . 0 0 "[ . 1 . 2]" 2
566 1 70 ASN CA 1 72 ALA CA 5.662 . 6.662 5.440 5.353 5.642 . 0 0 "[ . 1 . 2]" 2
567 1 70 ASN CA 1 72 ALA CB 5.558 . 6.558 5.285 5.191 5.501 . 0 0 "[ . 1 . 2]" 2
568 1 70 ASN CA 1 87 ILE CA 11.144 . 12.144 11.234 10.582 11.771 . 0 0 "[ . 1 . 2]" 2
569 1 70 ASN CA 1 87 ILE CG1 9.085 . 10.085 9.060 8.324 9.537 . 0 0 "[ . 1 . 2]" 2
570 1 70 ASN CA 1 100 LEU CA 8.325 . 9.325 8.763 8.386 9.064 . 0 0 "[ . 1 . 2]" 2
571 1 70 ASN CA 1 100 LEU CD1 8.481 . 9.481 9.605 7.450 10.875 1.393 18 8 "[* * * ** * . -+ 2]" 2
572 1 70 ASN CA 1 101 THR CA 9.554 . 10.554 9.823 9.384 10.395 . 0 0 "[ . 1 . 2]" 2
573 1 70 ASN CA 1 101 THR CG2 9.690 . 10.690 9.807 8.872 10.584 . 0 0 "[ . 1 . 2]" 2
574 1 70 ASN CA 1 102 CYS CA 9.275 . 10.275 9.720 9.573 9.939 . 0 0 "[ . 1 . 2]" 2
575 1 70 ASN CA 1 102 CYS SG 7.955 . 8.955 8.184 8.083 8.291 . 0 0 "[ . 1 . 2]" 2
576 1 70 ASN CA 1 103 ILE CA 11.771 . 12.771 12.140 11.884 12.401 . 0 0 "[ . 1 . 2]" 2
577 1 70 ASN CA 1 103 ILE CG1 10.559 . 11.559 11.016 10.699 11.207 . 0 0 "[ . 1 . 2]" 2
578 1 70 ASN CA 1 104 GLY CA 13.289 . 14.289 13.478 13.238 13.771 . 0 0 "[ . 1 . 2]" 2
579 1 70 ASN CA 1 105 SER CA 16.567 . 17.567 16.729 16.383 17.155 . 0 0 "[ . 1 . 2]" 2
580 1 70 ASN CA 1 105 SER CB 17.640 . 18.640 17.773 17.437 18.212 . 0 0 "[ . 1 . 2]" 2
581 1 70 ASN CA 1 106 PRO CA 18.705 . 19.705 18.832 18.518 19.245 . 0 0 "[ . 1 . 2]" 2
582 1 70 ASN CA 1 106 PRO CG 19.246 . 20.246 19.154 18.631 19.996 . 0 0 "[ . 1 . 2]" 2
583 1 70 ASN CG 1 71 CYS CA 5.943 . 6.943 5.873 4.119 6.019 . 0 0 "[ . 1 . 2]" 2
584 1 70 ASN CG 1 71 CYS SG 6.625 . 7.625 7.072 5.337 7.307 . 0 0 "[ . 1 . 2]" 2
585 1 70 ASN CG 1 72 ALA CA 8.125 . 9.125 7.851 7.178 8.057 . 0 0 "[ . 1 . 2]" 2
586 1 70 ASN CG 1 72 ALA CB 7.948 . 8.948 7.617 7.473 7.836 . 0 0 "[ . 1 . 2]" 2
587 1 70 ASN CG 1 87 ILE CA 11.685 . 12.685 11.908 10.964 12.419 . 0 0 "[ . 1 . 2]" 2
588 1 70 ASN CG 1 87 ILE CG1 9.515 . 10.515 9.668 8.486 10.244 . 0 0 "[ . 1 . 2]" 2
589 1 70 ASN CG 1 100 LEU CA 10.286 . 11.286 10.644 9.444 11.057 . 0 0 "[ . 1 . 2]" 2
590 1 70 ASN CG 1 100 LEU CD1 9.885 . 10.885 11.040 9.190 12.618 1.733 7 7 "[* * * + * . -* 2]" 2
591 1 70 ASN CG 1 101 THR CA 11.382 . 12.382 11.688 9.929 12.399 0.017 20 0 "[ . 1 . 2]" 2
592 1 70 ASN CG 1 101 THR CG2 11.767 . 12.767 11.896 10.600 12.613 . 0 0 "[ . 1 . 2]" 2
593 1 70 ASN CG 1 102 CYS CA 10.355 . 11.355 10.918 8.851 11.215 . 0 0 "[ . 1 . 2]" 2
594 1 70 ASN CG 1 102 CYS SG 8.817 . 9.817 9.209 7.462 9.484 . 0 0 "[ . 1 . 2]" 2
595 1 70 ASN CG 1 103 ILE CA 12.911 . 13.911 13.318 11.655 13.627 . 0 0 "[ . 1 . 2]" 2
596 1 70 ASN CG 1 103 ILE CG1 11.666 . 12.666 12.097 10.752 12.536 . 0 0 "[ . 1 . 2]" 2
597 1 70 ASN CG 1 104 GLY CA 14.959 . 15.959 15.153 13.572 15.489 . 0 0 "[ . 1 . 2]" 2
598 1 70 ASN CG 1 105 SER CA 18.255 . 19.255 18.499 16.876 18.804 . 0 0 "[ . 1 . 2]" 2
599 1 70 ASN CG 1 105 SER CB 19.212 . 20.212 19.436 17.825 19.828 . 0 0 "[ . 1 . 2]" 2
600 1 70 ASN CG 1 106 PRO CA 20.663 . 21.663 20.846 19.264 21.236 . 0 0 "[ . 1 . 2]" 2
601 1 70 ASN CG 1 106 PRO CG 21.084 . 22.084 21.097 19.562 22.069 . 0 0 "[ . 1 . 2]" 2
602 1 71 CYS CA 1 72 ALA CA 3.842 . 4.842 3.828 3.825 3.832 . 0 0 "[ . 1 . 2]" 2
603 1 71 CYS CA 1 72 ALA CB 4.806 . 5.806 4.774 4.766 4.786 . 0 0 "[ . 1 . 2]" 2
604 1 71 CYS CA 1 87 ILE CA 11.924 . 12.924 11.991 11.208 12.581 . 0 0 "[ . 1 . 2]" 2
605 1 71 CYS CA 1 87 ILE CG1 10.450 . 11.450 10.030 8.963 11.210 . 0 0 "[ . 1 . 2]" 2
606 1 71 CYS CA 1 100 LEU CA 5.433 . 6.433 6.215 5.890 6.426 . 0 0 "[ . 1 . 2]" 2
607 1 71 CYS CA 1 100 LEU CD1 7.172 . 8.172 8.299 6.067 9.346 1.174 5 8 "[* * + *- * . ** 2]" 2
608 1 71 CYS CA 1 101 THR CA 5.852 . 6.852 6.250 5.778 6.849 . 0 0 "[ . 1 . 2]" 2
609 1 71 CYS CA 1 101 THR CG2 5.869 . 6.869 6.097 5.286 6.800 . 0 0 "[ . 1 . 2]" 2
610 1 71 CYS CA 1 102 CYS CA 6.421 . 7.421 6.762 6.602 7.033 . 0 0 "[ . 1 . 2]" 2
611 1 71 CYS CA 1 102 CYS SG 5.980 . 6.980 6.058 6.005 6.122 . 0 0 "[ . 1 . 2]" 2
612 1 71 CYS CA 1 103 ILE CA 9.121 . 10.121 9.579 9.286 9.840 . 0 0 "[ . 1 . 2]" 2
613 1 71 CYS CA 1 103 ILE CG1 8.464 . 9.464 9.051 8.753 9.280 . 0 0 "[ . 1 . 2]" 2
614 1 71 CYS CA 1 104 GLY CA 10.030 . 11.030 10.455 10.184 10.720 . 0 0 "[ . 1 . 2]" 2
615 1 71 CYS CA 1 105 SER CA 13.032 . 14.032 13.359 13.022 13.795 . 0 0 "[ . 1 . 2]" 2
616 1 71 CYS CA 1 105 SER CB 14.193 . 15.193 14.471 14.122 14.943 . 0 0 "[ . 1 . 2]" 2
617 1 71 CYS CA 1 106 PRO CA 15.004 . 16.004 15.341 15.069 15.721 . 0 0 "[ . 1 . 2]" 2
618 1 71 CYS CA 1 106 PRO CG 15.470 . 16.470 15.493 14.880 16.396 . 0 0 "[ . 1 . 2]" 2
619 1 71 CYS SG 1 72 ALA CA 4.760 . 5.760 4.536 4.292 4.592 . 0 0 "[ . 1 . 2]" 2
620 1 71 CYS SG 1 72 ALA CB 5.719 . 6.719 5.670 5.347 5.737 . 0 0 "[ . 1 . 2]" 2
621 1 71 CYS SG 1 87 ILE CA 10.161 . 11.161 10.314 9.500 10.854 . 0 0 "[ . 1 . 2]" 2
622 1 71 CYS SG 1 87 ILE CG1 9.067 . 10.067 8.521 7.584 10.001 . 0 0 "[ . 1 . 2]" 2
623 1 71 CYS SG 1 100 LEU CA 3.949 . 4.949 4.037 3.700 4.248 . 0 0 "[ . 1 . 2]" 2
624 1 71 CYS SG 1 100 LEU CD1 4.927 . 5.927 5.930 3.804 6.909 0.982 18 8 "[* * * *- * . *+ 2]" 2
625 1 71 CYS SG 1 101 THR CA 5.161 . 6.161 4.795 4.293 5.383 . 0 0 "[ . 1 . 2]" 2
626 1 71 CYS SG 1 101 THR CG2 6.278 . 7.278 5.652 4.915 6.245 . 0 0 "[ . 1 . 2]" 2
627 1 71 CYS SG 1 102 CYS CA 4.751 . 5.751 4.837 4.566 5.097 . 0 0 "[ . 1 . 2]" 2
628 1 71 CYS SG 1 102 CYS SG 3.529 . 4.529 3.600 3.595 3.608 . 0 0 "[ . 1 . 2]" 2
629 1 71 CYS SG 1 103 ILE CA 6.840 . 7.840 7.048 6.642 7.310 . 0 0 "[ . 1 . 2]" 2
630 1 71 CYS SG 1 103 ILE CG1 5.881 . 6.881 6.333 6.028 6.621 . 0 0 "[ . 1 . 2]" 2
631 1 71 CYS SG 1 104 GLY CA 8.355 . 9.355 8.205 7.975 8.451 . 0 0 "[ . 1 . 2]" 2
632 1 71 CYS SG 1 105 SER CA 11.717 . 12.717 11.459 11.163 11.817 . 0 0 "[ . 1 . 2]" 2
633 1 71 CYS SG 1 105 SER CB 12.712 . 13.712 12.451 12.170 12.844 . 0 0 "[ . 1 . 2]" 2
634 1 71 CYS SG 1 106 PRO CA 14.186 . 15.186 13.848 13.584 14.139 . 0 0 "[ . 1 . 2]" 2
635 1 71 CYS SG 1 106 PRO CG 14.766 . 15.766 14.165 13.612 14.951 . 0 0 "[ . 1 . 2]" 2
636 1 72 ALA CA 1 87 ILE CA 10.743 . 11.743 10.669 9.791 11.368 . 0 0 "[ . 1 . 2]" 2
637 1 72 ALA CA 1 87 ILE CG1 9.446 . 10.446 9.099 7.380 10.253 . 0 0 "[ . 1 . 2]" 2
638 1 72 ALA CA 1 100 LEU CA 4.824 . 5.824 5.526 4.964 5.841 0.017 18 0 "[ . 1 . 2]" 2
639 1 72 ALA CA 1 100 LEU CD1 6.508 . 7.508 7.460 5.553 8.610 1.102 5 7 "[* * + * * . *- 2]" 2
640 1 72 ALA CA 1 101 THR CA 6.843 . 7.843 6.884 6.164 7.494 . 0 0 "[ . 1 . 2]" 2
641 1 72 ALA CA 1 101 THR CG2 6.395 . 7.395 6.222 4.990 7.281 . 0 0 "[ . 1 . 2]" 2
642 1 72 ALA CA 1 102 CYS CA 8.711 . 9.711 8.848 8.460 9.158 . 0 0 "[ . 1 . 2]" 2
643 1 72 ALA CA 1 102 CYS SG 8.032 . 9.032 7.964 7.632 8.059 . 0 0 "[ . 1 . 2]" 2
644 1 72 ALA CA 1 103 ILE CA 10.193 . 11.193 10.625 9.716 10.973 . 0 0 "[ . 1 . 2]" 2
645 1 72 ALA CA 1 103 ILE CG1 9.097 . 10.097 9.802 9.404 10.152 0.055 15 0 "[ . 1 . 2]" 2
646 1 72 ALA CA 1 104 GLY CA 10.066 . 11.066 10.371 9.561 10.841 . 0 0 "[ . 1 . 2]" 2
647 1 72 ALA CA 1 105 SER CA 13.204 . 14.204 13.234 12.866 13.746 . 0 0 "[ . 1 . 2]" 2
648 1 72 ALA CA 1 105 SER CB 14.498 . 15.498 14.517 14.004 15.029 . 0 0 "[ . 1 . 2]" 2
649 1 72 ALA CA 1 106 PRO CA 14.580 . 15.580 14.586 14.226 15.076 . 0 0 "[ . 1 . 2]" 2
650 1 72 ALA CA 1 106 PRO CG 15.577 . 16.577 15.231 14.515 16.343 . 0 0 "[ . 1 . 2]" 2
651 1 72 ALA CB 1 87 ILE CA 10.233 . 11.233 10.390 9.214 11.113 . 0 0 "[ . 1 . 2]" 2
652 1 72 ALA CB 1 87 ILE CG1 8.759 . 9.759 8.834 7.021 9.752 . 0 0 "[ . 1 . 2]" 2
653 1 72 ALA CB 1 100 LEU CA 6.001 . 7.001 6.691 5.974 7.029 0.028 8 0 "[ . 1 . 2]" 2
654 1 72 ALA CB 1 100 LEU CD1 6.956 . 7.956 8.098 6.237 9.331 1.375 5 8 "[* * + *- * . ** 2]" 2
655 1 72 ALA CB 1 101 THR CA 8.341 . 9.341 8.385 7.641 9.006 . 0 0 "[ . 1 . 2]" 2
656 1 72 ALA CB 1 101 THR CG2 7.909 . 8.909 7.714 6.477 8.778 . 0 0 "[ . 1 . 2]" 2
657 1 72 ALA CB 1 102 CYS CA 10.000 . 11.000 10.210 9.764 10.547 . 0 0 "[ . 1 . 2]" 2
658 1 72 ALA CB 1 102 CYS SG 9.032 . 10.032 9.087 8.581 9.215 . 0 0 "[ . 1 . 2]" 2
659 1 72 ALA CB 1 103 ILE CA 11.359 . 12.359 11.871 10.825 12.272 . 0 0 "[ . 1 . 2]" 2
660 1 72 ALA CB 1 103 ILE CG1 10.020 . 11.020 10.847 10.419 11.081 0.061 16 0 "[ . 1 . 2]" 2
661 1 72 ALA CB 1 104 GLY CA 11.340 . 12.340 11.665 10.746 12.194 . 0 0 "[ . 1 . 2]" 2
662 1 72 ALA CB 1 105 SER CA 14.570 . 15.570 14.594 14.115 15.128 . 0 0 "[ . 1 . 2]" 2
663 1 72 ALA CB 1 105 SER CB 15.846 . 16.846 15.873 15.220 16.404 . 0 0 "[ . 1 . 2]" 2
664 1 72 ALA CB 1 106 PRO CA 15.908 . 16.908 15.868 15.433 16.414 . 0 0 "[ . 1 . 2]" 2
665 1 72 ALA CB 1 106 PRO CG 16.995 . 17.995 16.611 15.852 17.758 . 0 0 "[ . 1 . 2]" 2
666 1 87 ILE CA 1 100 LEU CA 10.148 . 11.148 9.341 8.259 10.317 . 0 0 "[ . 1 . 2]" 2
667 1 87 ILE CA 1 100 LEU CD1 6.487 . 7.487 6.392 5.389 7.580 0.093 18 0 "[ . 1 . 2]" 2
668 1 87 ILE CA 1 101 THR CA 13.729 . 14.729 13.027 12.008 14.031 . 0 0 "[ . 1 . 2]" 2
669 1 87 ILE CA 1 101 THR CG2 15.078 . 16.078 14.195 12.840 15.001 . 0 0 "[ . 1 . 2]" 2
670 1 87 ILE CA 1 102 CYS CA 13.116 . 14.116 13.017 12.279 13.819 . 0 0 "[ . 1 . 2]" 2
671 1 87 ILE CA 1 102 CYS SG 10.606 . 11.606 10.581 10.008 11.201 . 0 0 "[ . 1 . 2]" 2
672 1 87 ILE CA 1 103 ILE CA 12.072 . 13.072 11.857 11.026 13.006 . 0 0 "[ . 1 . 2]" 2
673 1 87 ILE CA 1 103 ILE CG1 9.548 . 10.548 9.575 8.638 10.511 . 0 0 "[ . 1 . 2]" 2
674 1 87 ILE CA 1 104 GLY CA 13.573 . 14.573 12.637 11.673 14.087 . 0 0 "[ . 1 . 2]" 2
675 1 87 ILE CA 1 105 SER CA 17.317 . 18.317 16.236 15.256 17.749 . 0 0 "[ . 1 . 2]" 2
676 1 87 ILE CA 1 105 SER CB 17.907 . 18.907 16.849 15.987 18.325 . 0 0 "[ . 1 . 2]" 2
677 1 87 ILE CA 1 106 PRO CA 19.774 . 20.774 18.496 17.335 20.153 . 0 0 "[ . 1 . 2]" 2
678 1 87 ILE CA 1 106 PRO CG 21.218 . 22.218 19.902 18.743 21.538 . 0 0 "[ . 1 . 2]" 2
679 1 87 ILE CG1 1 100 LEU CA 9.809 . 10.809 8.306 6.581 10.374 . 0 0 "[ . 1 . 2]" 2
680 1 87 ILE CG1 1 100 LEU CD1 6.524 . 7.524 5.768 3.781 8.482 0.957 3 1 "[ + . 1 . 2]" 2
681 1 87 ILE CG1 1 101 THR CA 13.261 . 14.261 11.798 10.254 13.526 . 0 0 "[ . 1 . 2]" 2
682 1 87 ILE CG1 1 101 THR CG2 14.378 . 15.378 12.908 10.806 15.249 . 0 0 "[ . 1 . 2]" 2
683 1 87 ILE CG1 1 102 CYS CA 12.674 . 13.674 11.602 10.511 13.317 . 0 0 "[ . 1 . 2]" 2
684 1 87 ILE CG1 1 102 CYS SG 10.135 . 11.135 9.069 8.076 10.688 . 0 0 "[ . 1 . 2]" 2
685 1 87 ILE CG1 1 103 ILE CA 12.384 . 13.384 11.038 9.628 13.114 . 0 0 "[ . 1 . 2]" 2
686 1 87 ILE CG1 1 103 ILE CG1 9.926 . 10.926 8.796 7.288 10.766 . 0 0 "[ . 1 . 2]" 2
687 1 87 ILE CG1 1 104 GLY CA 14.000 . 15.000 12.160 10.778 14.304 . 0 0 "[ . 1 . 2]" 2
688 1 87 ILE CG1 1 105 SER CA 17.824 . 18.824 15.895 14.553 18.043 . 0 0 "[ . 1 . 2]" 2
689 1 87 ILE CG1 1 105 SER CB 18.553 . 19.553 16.591 15.303 18.734 . 0 0 "[ . 1 . 2]" 2
690 1 87 ILE CG1 1 106 PRO CA 20.245 . 21.245 18.287 16.827 20.475 . 0 0 "[ . 1 . 2]" 2
691 1 87 ILE CG1 1 106 PRO CG 21.556 . 22.556 19.479 17.828 21.681 . 0 0 "[ . 1 . 2]" 2
692 1 100 LEU CA 1 100 LEU CD1 3.858 . 4.858 3.628 2.843 3.848 . 0 0 "[ . 1 . 2]" 2
693 1 100 LEU CA 1 101 THR CA 3.838 . 4.838 3.824 3.819 3.828 . 0 0 "[ . 1 . 2]" 2
694 1 100 LEU CA 1 101 THR CG2 5.097 . 6.097 5.122 4.736 6.161 0.064 3 0 "[ . 1 . 2]" 2
695 1 100 LEU CA 1 102 CYS CA 5.469 . 6.469 5.515 5.325 5.612 . 0 0 "[ . 1 . 2]" 2
696 1 100 LEU CA 1 102 CYS SG 5.050 . 6.050 4.755 4.433 5.034 . 0 0 "[ . 1 . 2]" 2
697 1 100 LEU CA 1 103 ILE CA 5.641 . 6.641 5.603 5.013 5.901 . 0 0 "[ . 1 . 2]" 2
698 1 100 LEU CA 1 103 ILE CG1 4.794 . 5.794 4.892 4.575 5.812 0.017 16 0 "[ . 1 . 2]" 2
699 1 100 LEU CA 1 104 GLY CA 5.450 . 6.450 5.162 4.699 5.532 . 0 0 "[ . 1 . 2]" 2
700 1 100 LEU CA 1 105 SER CA 8.972 . 9.972 8.583 8.126 8.958 . 0 0 "[ . 1 . 2]" 2
701 1 100 LEU CA 1 105 SER CB 10.096 . 11.096 9.648 9.191 10.050 . 0 0 "[ . 1 . 2]" 2
702 1 100 LEU CA 1 106 PRO CA 11.074 . 12.074 10.783 10.193 11.166 . 0 0 "[ . 1 . 2]" 2
703 1 100 LEU CA 1 106 PRO CG 12.123 . 13.123 11.622 10.923 12.367 . 0 0 "[ . 1 . 2]" 2
704 1 100 LEU CD1 1 101 THR CA 7.303 . 8.303 7.145 6.069 7.328 . 0 0 "[ . 1 . 2]" 2
705 1 100 LEU CD1 1 101 THR CG2 8.878 . 9.878 8.618 7.036 9.721 . 0 0 "[ . 1 . 2]" 2
706 1 100 LEU CD1 1 102 CYS CA 7.154 . 8.154 7.532 6.533 8.107 . 0 0 "[ . 1 . 2]" 2
707 1 100 LEU CD1 1 102 CYS SG 5.213 . 6.213 5.733 4.567 6.691 0.478 18 0 "[ . 1 . 2]" 2
708 1 100 LEU CD1 1 103 ILE CA 6.310 . 7.310 6.335 5.488 7.494 0.184 14 0 "[ . 1 . 2]" 2
709 1 100 LEU CD1 1 103 ILE CG1 4.045 . 5.045 4.459 3.642 6.535 1.489 16 2 "[ . 1 -.+ 2]" 2
710 1 100 LEU CD1 1 104 GLY CA 7.493 . 8.493 6.681 5.654 7.598 . 0 0 "[ . 1 . 2]" 2
711 1 100 LEU CD1 1 105 SER CA 11.322 . 12.322 10.343 9.130 11.406 . 0 0 "[ . 1 . 2]" 2
712 1 100 LEU CD1 1 105 SER CB 12.107 . 13.107 11.088 9.916 12.138 . 0 0 "[ . 1 . 2]" 2
713 1 100 LEU CD1 1 106 PRO CA 13.864 . 14.864 12.800 11.308 13.958 . 0 0 "[ . 1 . 2]" 2
714 1 100 LEU CD1 1 106 PRO CG 15.072 . 16.072 13.949 12.692 15.061 . 0 0 "[ . 1 . 2]" 2
715 1 101 THR CA 1 102 CYS CA 3.855 . 4.855 3.825 3.820 3.831 . 0 0 "[ . 1 . 2]" 2
716 1 101 THR CA 1 102 CYS SG 5.453 . 6.453 5.113 4.968 5.330 . 0 0 "[ . 1 . 2]" 2
717 1 101 THR CA 1 103 ILE CA 5.468 . 6.468 5.490 5.379 5.640 . 0 0 "[ . 1 . 2]" 2
718 1 101 THR CA 1 103 ILE CG1 6.270 . 7.270 6.293 6.031 6.885 . 0 0 "[ . 1 . 2]" 2
719 1 101 THR CA 1 104 GLY CA 4.894 . 5.894 4.869 4.639 5.094 . 0 0 "[ . 1 . 2]" 2
720 1 101 THR CA 1 105 SER CA 7.263 . 8.263 7.170 6.719 7.724 . 0 0 "[ . 1 . 2]" 2
721 1 101 THR CA 1 105 SER CB 8.483 . 9.483 8.330 7.836 8.832 . 0 0 "[ . 1 . 2]" 2
722 1 101 THR CA 1 106 PRO CA 9.353 . 10.353 9.327 8.831 9.683 . 0 0 "[ . 1 . 2]" 2
723 1 101 THR CA 1 106 PRO CG 9.720 . 10.720 9.428 8.839 10.141 . 0 0 "[ . 1 . 2]" 2
724 1 101 THR CG2 1 102 CYS CA 6.063 . 7.063 5.899 4.680 6.072 . 0 0 "[ . 1 . 2]" 2
725 1 101 THR CG2 1 102 CYS SG 7.579 . 8.579 7.101 6.438 7.348 . 0 0 "[ . 1 . 2]" 2
726 1 101 THR CG2 1 103 ILE CA 7.955 . 8.955 7.905 7.472 8.076 . 0 0 "[ . 1 . 2]" 2
727 1 101 THR CG2 1 103 ILE CG1 8.604 . 9.604 8.580 8.228 9.346 . 0 0 "[ . 1 . 2]" 2
728 1 101 THR CG2 1 104 GLY CA 6.750 . 7.750 6.768 6.549 7.256 . 0 0 "[ . 1 . 2]" 2
729 1 101 THR CG2 1 105 SER CA 8.487 . 9.487 8.398 7.718 9.057 . 0 0 "[ . 1 . 2]" 2
730 1 101 THR CG2 1 105 SER CB 9.880 . 10.880 9.733 9.060 10.390 . 0 0 "[ . 1 . 2]" 2
731 1 101 THR CG2 1 106 PRO CA 9.638 . 10.638 9.671 8.977 10.623 . 0 0 "[ . 1 . 2]" 2
732 1 101 THR CG2 1 106 PRO CG 9.971 . 10.971 9.695 8.995 10.958 . 0 0 "[ . 1 . 2]" 2
733 1 102 CYS CA 1 103 ILE CA 3.852 . 4.852 3.826 3.821 3.849 . 0 0 "[ . 1 . 2]" 2
734 1 102 CYS CA 1 103 ILE CG1 4.855 . 5.855 4.824 4.282 5.088 . 0 0 "[ . 1 . 2]" 2
735 1 102 CYS CA 1 104 GLY CA 6.036 . 7.036 5.959 5.862 6.021 . 0 0 "[ . 1 . 2]" 2
736 1 102 CYS CA 1 105 SER CA 8.588 . 9.588 8.590 8.342 8.797 . 0 0 "[ . 1 . 2]" 2
737 1 102 CYS CA 1 105 SER CB 9.290 . 10.290 9.217 8.927 9.452 . 0 0 "[ . 1 . 2]" 2
738 1 102 CYS CA 1 106 PRO CA 11.673 . 12.673 11.681 11.339 11.911 . 0 0 "[ . 1 . 2]" 2
739 1 102 CYS CA 1 106 PRO CG 11.712 . 12.712 11.491 11.129 11.919 . 0 0 "[ . 1 . 2]" 2
740 1 102 CYS SG 1 103 ILE CA 4.174 . 5.174 4.171 4.043 4.369 . 0 0 "[ . 1 . 2]" 2
741 1 102 CYS SG 1 103 ILE CG1 3.616 . 4.616 3.623 3.261 3.932 . 0 0 "[ . 1 . 2]" 2
742 1 102 CYS SG 1 104 GLY CA 7.063 . 8.063 6.780 6.581 7.166 . 0 0 "[ . 1 . 2]" 2
743 1 102 CYS SG 1 105 SER CA 10.309 . 11.309 10.141 9.909 10.466 . 0 0 "[ . 1 . 2]" 2
744 1 102 CYS SG 1 105 SER CB 10.951 . 11.951 10.758 10.532 10.941 . 0 0 "[ . 1 . 2]" 2
745 1 102 CYS SG 1 106 PRO CA 13.473 . 14.473 13.269 13.055 13.537 . 0 0 "[ . 1 . 2]" 2
746 1 102 CYS SG 1 106 PRO CG 13.857 . 14.857 13.467 13.171 13.910 . 0 0 "[ . 1 . 2]" 2
747 1 103 ILE CA 1 104 GLY CA 3.835 . 4.835 3.823 3.813 3.827 . 0 0 "[ . 1 . 2]" 2
748 1 103 ILE CA 1 105 SER CA 6.800 . 7.800 6.879 6.794 6.986 . 0 0 "[ . 1 . 2]" 2
749 1 103 ILE CA 1 105 SER CB 7.155 . 8.155 7.125 6.952 7.281 . 0 0 "[ . 1 . 2]" 2
750 1 103 ILE CA 1 106 PRO CA 10.342 . 11.342 10.466 10.325 10.587 . 0 0 "[ . 1 . 2]" 2
751 1 103 ILE CA 1 106 PRO CG 10.829 . 11.829 10.754 10.412 10.982 . 0 0 "[ . 1 . 2]" 2
752 1 103 ILE CG1 1 104 GLY CA 5.140 . 6.140 5.022 4.715 6.209 0.069 11 0 "[ . 1 . 2]" 2
753 1 103 ILE CG1 1 105 SER CA 8.698 . 9.698 8.596 8.342 9.390 . 0 0 "[ . 1 . 2]" 2
754 1 103 ILE CG1 1 105 SER CB 9.156 . 10.156 8.943 8.654 9.651 . 0 0 "[ . 1 . 2]" 2
755 1 103 ILE CG1 1 106 PRO CA 11.962 . 12.962 11.957 11.615 12.882 . 0 0 "[ . 1 . 2]" 2
756 1 103 ILE CG1 1 106 PRO CG 12.788 . 13.788 12.570 12.257 13.169 . 0 0 "[ . 1 . 2]" 2
757 1 104 GLY CA 1 105 SER CA 3.831 . 4.831 3.823 3.819 3.827 . 0 0 "[ . 1 . 2]" 2
758 1 104 GLY CA 1 105 SER CB 4.725 . 5.725 4.603 4.531 4.670 . 0 0 "[ . 1 . 2]" 2
759 1 104 GLY CA 1 106 PRO CA 6.825 . 7.825 6.966 6.804 7.097 . 0 0 "[ . 1 . 2]" 2
760 1 104 GLY CA 1 106 PRO CG 7.796 . 8.796 7.736 7.321 8.014 . 0 0 "[ . 1 . 2]" 2
761 1 105 SER CA 1 106 PRO CA 3.820 . 4.820 3.804 3.800 3.807 . 0 0 "[ . 1 . 2]" 2
762 1 105 SER CA 1 106 PRO CG 4.331 . 5.331 4.299 4.291 4.305 . 0 0 "[ . 1 . 2]" 2
763 1 105 SER CB 1 106 PRO CA 4.546 . 5.546 4.565 4.405 4.719 . 0 0 "[ . 1 . 2]" 2
764 1 105 SER CB 1 106 PRO CG 4.779 . 5.779 4.851 4.468 5.225 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 92
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 74.765
_Distance_constraint_stats_list.Viol_max 0.086
_Distance_constraint_stats_list.Viol_rms 0.0078
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0191
_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 1 PRO 0.231 0.035 6 0 "[ . 1 . 2]"
1 2 THR 0.035 0.018 3 0 "[ . 1 . 2]"
1 3 VAL 0.030 0.017 4 0 "[ . 1 . 2]"
1 4 GLU 0.103 0.029 20 0 "[ . 1 . 2]"
1 5 TYR 0.303 0.045 13 0 "[ . 1 . 2]"
1 6 LEU 0.124 0.022 9 0 "[ . 1 . 2]"
1 7 ASN 0.180 0.026 18 0 "[ . 1 . 2]"
1 8 TYR 0.423 0.086 17 0 "[ . 1 . 2]"
1 10 THR 0.187 0.026 18 0 "[ . 1 . 2]"
1 14 GLN 0.021 0.011 17 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.058 0.020 1 0 "[ . 1 . 2]"
1 36 ASP 0.014 0.014 8 0 "[ . 1 . 2]"
1 37 TYR 0.058 0.020 1 0 "[ . 1 . 2]"
1 38 GLY 0.303 0.045 13 0 "[ . 1 . 2]"
1 40 MET 0.030 0.017 4 0 "[ . 1 . 2]"
1 42 VAL 0.231 0.035 6 0 "[ . 1 . 2]"
1 43 ALA 0.039 0.016 15 0 "[ . 1 . 2]"
1 46 GLU 0.039 0.016 15 0 "[ . 1 . 2]"
1 47 TYR 0.065 0.024 4 0 "[ . 1 . 2]"
1 48 ILE 0.093 0.019 13 0 "[ . 1 . 2]"
1 49 LEU 0.110 0.024 11 0 "[ . 1 . 2]"
1 50 GLU 0.201 0.024 4 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.028 0.018 8 0 "[ . 1 . 2]"
1 53 GLU 0.005 0.005 16 0 "[ . 1 . 2]"
1 54 ALA 0.136 0.022 2 0 "[ . 1 . 2]"
1 55 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.756 0.073 10 0 "[ . 1 . 2]"
1 74 ILE 0.651 0.067 12 0 "[ . 1 . 2]"
1 75 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.073 0.027 2 0 "[ . 1 . 2]"
1 81 ASP 0.015 0.015 10 0 "[ . 1 . 2]"
1 89 SER 0.006 0.006 13 0 "[ . 1 . 2]"
1 90 ASP 0.166 0.025 20 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLU 0.051 0.015 12 0 "[ . 1 . 2]"
1 93 VAL 0.095 0.025 20 0 "[ . 1 . 2]"
1 94 GLU 0.071 0.023 4 0 "[ . 1 . 2]"
1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.019 0.010 1 0 "[ . 1 . 2]"
1 97 ASP 0.026 0.015 12 0 "[ . 1 . 2]"
1 101 THR 0.105 0.024 11 0 "[ . 1 . 2]"
1 104 GLY 0.064 0.019 13 0 "[ . 1 . 2]"
1 105 SER 0.015 0.015 10 0 "[ . 1 . 2]"
1 107 ALA 0.073 0.027 2 0 "[ . 1 . 2]"
1 111 VAL 0.050 0.018 3 0 "[ . 1 . 2]"
1 112 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ILE 0.110 0.029 20 0 "[ . 1 . 2]"
1 114 VAL 0.651 0.067 12 0 "[ . 1 . 2]"
1 115 TYR 0.523 0.086 17 0 "[ . 1 . 2]"
1 117 ALA 0.767 0.073 10 0 "[ . 1 . 2]"
1 120 LEU 0.038 0.028 18 0 "[ . 1 . 2]"
1 123 LEU 0.011 0.011 10 0 "[ . 1 . 2]"
1 124 GLN 0.054 0.028 18 0 "[ . 1 . 2]"
1 126 ARG 0.011 0.011 10 0 "[ . 1 . 2]"
1 127 VAL 0.026 0.017 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL H 1 40 MET O 0.000 . 2.300 1.919 1.564 2.317 0.017 4 0 "[ . 1 . 2]" 3
2 1 3 VAL N 1 40 MET O 0.000 . 3.300 2.802 2.490 3.254 . 0 0 "[ . 1 . 2]" 3
3 1 4 GLU H 1 111 VAL O 0.000 . 2.300 2.099 1.770 2.310 0.010 14 0 "[ . 1 . 2]" 3
4 1 4 GLU N 1 111 VAL O 0.000 . 3.300 2.846 2.592 3.138 . 0 0 "[ . 1 . 2]" 3
5 1 5 TYR H 1 38 GLY O 0.000 . 2.300 2.106 1.902 2.237 . 0 0 "[ . 1 . 2]" 3
6 1 5 TYR N 1 38 GLY O 0.000 . 3.300 2.909 2.780 3.066 . 0 0 "[ . 1 . 2]" 3
7 1 6 LEU H 1 113 ILE O 0.000 . 2.300 2.108 1.925 2.314 0.014 4 0 "[ . 1 . 2]" 3
8 1 6 LEU N 1 113 ILE O 0.000 . 3.300 2.889 2.659 3.176 . 0 0 "[ . 1 . 2]" 3
9 1 7 ASN H 1 36 ASP O 0.000 . 2.300 1.961 1.642 2.314 0.014 8 0 "[ . 1 . 2]" 3
10 1 7 ASN N 1 36 ASP O 0.000 . 3.300 2.485 2.419 2.682 . 0 0 "[ . 1 . 2]" 3
11 1 8 TYR H 1 115 TYR O 0.000 . 2.300 2.281 2.132 2.386 0.086 17 0 "[ . 1 . 2]" 3
12 1 8 TYR N 1 115 TYR O 0.000 . 3.300 3.242 3.099 3.356 0.056 17 0 "[ . 1 . 2]" 3
13 1 7 ASN O 1 10 THR H 0.000 . 2.300 2.283 1.911 2.326 0.026 18 0 "[ . 1 . 2]" 3
14 1 7 ASN O 1 10 THR N 0.000 . 3.300 2.979 2.705 3.088 . 0 0 "[ . 1 . 2]" 3
15 1 10 THR O 1 14 GLN H 0.000 . 2.300 2.119 1.856 2.311 0.011 17 0 "[ . 1 . 2]" 3
16 1 10 THR O 1 14 GLN N 0.000 . 3.300 3.038 2.789 3.229 . 0 0 "[ . 1 . 2]" 3
17 1 22 ASP O 1 26 LYS H 0.000 . 2.300 1.928 1.493 2.279 . 0 0 "[ . 1 . 2]" 3
18 1 22 ASP O 1 26 LYS N 0.000 . 3.300 2.864 2.425 3.219 . 0 0 "[ . 1 . 2]" 3
19 1 23 LEU O 1 27 ALA H 0.000 . 2.300 1.760 1.525 2.106 . 0 0 "[ . 1 . 2]" 3
20 1 23 LEU O 1 27 ALA N 0.000 . 3.300 2.651 2.429 3.017 . 0 0 "[ . 1 . 2]" 3
21 1 33 ASP O 1 37 TYR H 0.000 . 2.300 2.213 2.010 2.320 0.020 1 0 "[ . 1 . 2]" 3
22 1 33 ASP O 1 37 TYR N 0.000 . 3.300 3.172 2.988 3.290 . 0 0 "[ . 1 . 2]" 3
23 1 5 TYR O 1 38 GLY H 0.000 . 2.300 2.303 2.176 2.345 0.045 13 0 "[ . 1 . 2]" 3
24 1 5 TYR O 1 38 GLY N 0.000 . 3.300 3.126 2.997 3.240 . 0 0 "[ . 1 . 2]" 3
25 1 3 VAL O 1 40 MET H 0.000 . 2.300 1.623 1.459 1.774 . 0 0 "[ . 1 . 2]" 3
26 1 3 VAL O 1 40 MET N 0.000 . 3.300 2.442 2.403 2.514 . 0 0 "[ . 1 . 2]" 3
27 1 1 PRO O 1 42 VAL H 0.000 . 2.300 2.308 2.249 2.335 0.035 6 0 "[ . 1 . 2]" 3
28 1 1 PRO O 1 42 VAL N 0.000 . 3.300 3.170 2.934 3.284 . 0 0 "[ . 1 . 2]" 3
29 1 43 ALA O 1 46 GLU H 0.000 . 2.300 2.210 1.836 2.316 0.016 15 0 "[ . 1 . 2]" 3
30 1 43 ALA O 1 46 GLU N 0.000 . 3.300 3.048 2.661 3.244 . 0 0 "[ . 1 . 2]" 3
31 1 48 ILE H 1 104 GLY O 0.000 . 2.300 2.234 1.856 2.319 0.019 13 0 "[ . 1 . 2]" 3
32 1 48 ILE N 1 104 GLY O 0.000 . 3.300 3.190 2.835 3.291 . 0 0 "[ . 1 . 2]" 3
33 1 49 LEU H 1 101 THR O 0.000 . 2.300 2.266 2.041 2.324 0.024 11 0 "[ . 1 . 2]" 3
34 1 49 LEU N 1 101 THR O 0.000 . 3.300 3.182 3.010 3.289 . 0 0 "[ . 1 . 2]" 3
35 1 47 TYR O 1 50 GLU H 0.000 . 2.300 2.209 1.839 2.324 0.024 4 0 "[ . 1 . 2]" 3
36 1 47 TYR O 1 50 GLU N 0.000 . 3.300 2.808 2.517 2.981 . 0 0 "[ . 1 . 2]" 3
37 1 47 TYR O 1 51 ALA H 0.000 . 2.300 1.795 1.454 2.119 . 0 0 "[ . 1 . 2]" 3
38 1 47 TYR O 1 51 ALA N 0.000 . 3.300 2.753 2.414 3.060 . 0 0 "[ . 1 . 2]" 3
39 1 48 ILE O 1 52 ALA H 0.000 . 2.300 1.925 1.722 2.318 0.018 8 0 "[ . 1 . 2]" 3
40 1 48 ILE O 1 52 ALA N 0.000 . 3.300 2.885 2.694 3.228 . 0 0 "[ . 1 . 2]" 3
41 1 49 LEU O 1 53 GLU H 0.000 . 2.300 2.138 1.882 2.305 0.005 16 0 "[ . 1 . 2]" 3
42 1 49 LEU O 1 53 GLU N 0.000 . 3.300 2.906 2.693 3.060 . 0 0 "[ . 1 . 2]" 3
43 1 50 GLU O 1 54 ALA H 0.000 . 2.300 2.237 1.943 2.322 0.022 2 0 "[ . 1 . 2]" 3
44 1 50 GLU O 1 54 ALA N 0.000 . 3.300 3.108 2.833 3.246 . 0 0 "[ . 1 . 2]" 3
45 1 52 ALA O 1 55 GLN H 0.000 . 2.300 2.023 1.651 2.294 . 0 0 "[ . 1 . 2]" 3
46 1 52 ALA O 1 55 GLN N 0.000 . 3.300 2.886 2.568 3.170 . 0 0 "[ . 1 . 2]" 3
47 1 52 ALA O 1 57 TYR H 0.000 . 2.300 2.151 1.983 2.284 . 0 0 "[ . 1 . 2]" 3
48 1 52 ALA O 1 57 TYR N 0.000 . 3.300 3.043 2.912 3.206 . 0 0 "[ . 1 . 2]" 3
49 1 74 ILE H 1 114 VAL O 0.000 . 2.300 2.320 2.102 2.367 0.067 12 0 "[ . 1 . 2]" 3
50 1 74 ILE N 1 114 VAL O 0.000 . 3.300 3.118 2.865 3.264 . 0 0 "[ . 1 . 2]" 3
51 1 75 VAL H 1 97 ASP O 0.000 . 2.300 1.790 1.547 2.061 . 0 0 "[ . 1 . 2]" 3
52 1 75 VAL N 1 97 ASP O 0.000 . 3.300 2.530 2.415 2.692 . 0 0 "[ . 1 . 2]" 3
53 1 76 LYS H 1 112 LYS O 0.000 . 2.300 1.711 1.577 1.881 . 0 0 "[ . 1 . 2]" 3
54 1 76 LYS N 1 112 LYS O 0.000 . 3.300 2.436 2.401 2.501 . 0 0 "[ . 1 . 2]" 3
55 1 77 GLU H 1 112 LYS O 0.000 . 2.300 2.145 1.965 2.294 . 0 0 "[ . 1 . 2]" 3
56 1 77 GLU N 1 112 LYS O 0.000 . 3.300 2.998 2.843 3.139 . 0 0 "[ . 1 . 2]" 3
57 1 81 ASP H 1 105 SER O 0.000 . 2.300 1.608 1.492 1.828 . 0 0 "[ . 1 . 2]" 3
58 1 81 ASP N 1 105 SER O 0.000 . 3.300 2.486 2.420 2.746 . 0 0 "[ . 1 . 2]" 3
59 1 89 SER O 1 92 GLU H 0.000 . 2.300 2.036 1.703 2.306 0.006 13 0 "[ . 1 . 2]" 3
60 1 89 SER O 1 92 GLU N 0.000 . 3.300 2.823 2.511 3.135 . 0 0 "[ . 1 . 2]" 3
61 1 90 ASP O 1 93 VAL H 0.000 . 2.300 2.251 2.023 2.325 0.025 20 0 "[ . 1 . 2]" 3
62 1 90 ASP O 1 93 VAL N 0.000 . 3.300 2.898 2.743 3.038 . 0 0 "[ . 1 . 2]" 3
63 1 90 ASP O 1 94 GLU H 0.000 . 2.300 2.165 1.760 2.323 0.023 4 0 "[ . 1 . 2]" 3
64 1 90 ASP O 1 94 GLU N 0.000 . 3.300 2.993 2.544 3.198 . 0 0 "[ . 1 . 2]" 3
65 1 91 GLU O 1 95 GLU H 0.000 . 2.300 1.788 1.572 2.106 . 0 0 "[ . 1 . 2]" 3
66 1 91 GLU O 1 95 GLU N 0.000 . 3.300 2.674 2.457 3.013 . 0 0 "[ . 1 . 2]" 3
67 1 92 GLU O 1 96 LYS H 0.000 . 2.300 2.154 1.952 2.310 0.010 1 0 "[ . 1 . 2]" 3
68 1 92 GLU O 1 96 LYS N 0.000 . 3.300 2.788 2.580 3.039 . 0 0 "[ . 1 . 2]" 3
69 1 92 GLU O 1 97 ASP H 0.000 . 2.300 2.215 2.060 2.315 0.015 12 0 "[ . 1 . 2]" 3
70 1 92 GLU O 1 97 ASP N 0.000 . 3.300 2.579 2.427 2.787 . 0 0 "[ . 1 . 2]" 3
71 1 81 ASP O 1 105 SER H 0.000 . 2.300 1.923 1.452 2.315 0.015 10 0 "[ . 1 . 2]" 3
72 1 81 ASP O 1 105 SER N 0.000 . 3.300 2.862 2.420 3.271 . 0 0 "[ . 1 . 2]" 3
73 1 79 GLU O 1 107 ALA H 0.000 . 2.300 2.175 1.882 2.327 0.027 2 0 "[ . 1 . 2]" 3
74 1 79 GLU O 1 107 ALA N 0.000 . 3.300 3.080 2.788 3.261 . 0 0 "[ . 1 . 2]" 3
75 1 2 THR O 1 111 VAL H 0.000 . 2.300 2.030 1.658 2.318 0.018 3 0 "[ . 1 . 2]" 3
76 1 2 THR O 1 111 VAL N 0.000 . 3.300 2.888 2.579 3.100 . 0 0 "[ . 1 . 2]" 3
77 1 77 GLU O 1 112 LYS H 0.000 . 2.300 1.936 1.526 2.291 . 0 0 "[ . 1 . 2]" 3
78 1 77 GLU O 1 112 LYS N 0.000 . 3.300 2.784 2.487 3.225 . 0 0 "[ . 1 . 2]" 3
79 1 4 GLU O 1 113 ILE H 0.000 . 2.300 2.062 1.739 2.329 0.029 20 0 "[ . 1 . 2]" 3
80 1 4 GLU O 1 113 ILE N 0.000 . 3.300 3.002 2.648 3.304 0.004 20 0 "[ . 1 . 2]" 3
81 1 6 LEU O 1 115 TYR H 0.000 . 2.300 2.028 1.665 2.322 0.022 9 0 "[ . 1 . 2]" 3
82 1 6 LEU O 1 115 TYR N 0.000 . 3.300 2.800 2.428 3.105 . 0 0 "[ . 1 . 2]" 3
83 1 72 ALA O 1 117 ALA H 0.000 . 2.300 2.337 2.281 2.373 0.073 10 0 "[ . 1 . 2]" 3
84 1 72 ALA O 1 117 ALA N 0.000 . 3.300 3.166 3.094 3.252 . 0 0 "[ . 1 . 2]" 3
85 1 117 ALA O 1 120 LEU H 0.000 . 2.300 1.675 1.460 2.310 0.010 17 0 "[ . 1 . 2]" 3
86 1 117 ALA O 1 120 LEU N 0.000 . 3.300 2.608 2.429 3.150 . 0 0 "[ . 1 . 2]" 3
87 1 120 LEU O 1 124 GLN H 0.000 . 2.300 1.981 1.531 2.328 0.028 18 0 "[ . 1 . 2]" 3
88 1 120 LEU O 1 124 GLN N 0.000 . 3.300 2.879 2.432 3.284 . 0 0 "[ . 1 . 2]" 3
89 1 123 LEU O 1 126 ARG H 0.000 . 2.300 1.967 1.537 2.311 0.011 10 0 "[ . 1 . 2]" 3
90 1 123 LEU O 1 126 ARG N 0.000 . 3.300 2.872 2.507 3.193 . 0 0 "[ . 1 . 2]" 3
91 1 124 GLN O 1 127 VAL H 0.000 . 2.300 2.061 1.632 2.317 0.017 3 0 "[ . 1 . 2]" 3
92 1 124 GLN O 1 127 VAL N 0.000 . 3.300 2.949 2.606 3.229 . 0 0 "[ . 1 . 2]" 3
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