NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
514122 |
2lbx   |
17579 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbx
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 660
_Distance_constraint_stats_list.Viol_count 971
_Distance_constraint_stats_list.Viol_total 1698.900
_Distance_constraint_stats_list.Viol_max 0.429
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0875
_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 2 LYS 0.678 0.213 12 0 "[ . 1 . 2]"
1 3 LYS 0.678 0.213 12 0 "[ . 1 . 2]"
1 4 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.594 0.079 18 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.133 0.038 3 0 "[ . 1 . 2]"
1 8 VAL 0.274 0.038 6 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.032 0.032 7 0 "[ . 1 . 2]"
1 11 THR 7.415 0.295 12 0 "[ . 1 . 2]"
1 12 VAL 4.042 0.219 6 0 "[ . 1 . 2]"
1 13 LYS 0.249 0.097 9 0 "[ . 1 . 2]"
1 14 LYS 0.819 0.184 5 0 "[ . 1 . 2]"
1 15 ALA 3.904 0.209 20 0 "[ . 1 . 2]"
1 16 SER 0.629 0.113 20 0 "[ . 1 . 2]"
1 17 LYS 0.069 0.043 12 0 "[ . 1 . 2]"
1 18 ALA 0.165 0.043 17 0 "[ . 1 . 2]"
1 19 LYS 0.139 0.096 1 0 "[ . 1 . 2]"
1 20 ASN 2.751 0.222 17 0 "[ . 1 . 2]"
1 21 VAL 3.822 0.275 20 0 "[ . 1 . 2]"
1 22 LYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 23 ARG 4.867 0.309 18 0 "[ . 1 . 2]"
1 24 GLY 0.562 0.088 17 0 "[ . 1 . 2]"
1 25 VAL 3.076 0.149 10 0 "[ . 1 . 2]"
1 26 LYS 1.212 0.147 13 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 VAL 0.157 0.038 16 0 "[ . 1 . 2]"
1 30 LYS 0.157 0.038 16 0 "[ . 1 . 2]"
1 31 ALA 3.623 0.281 10 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.222 0.064 15 0 "[ . 1 . 2]"
1 37 LYS 3.444 0.187 2 0 "[ . 1 . 2]"
1 38 GLY 10.745 0.281 10 0 "[ . 1 . 2]"
1 39 LEU 6.245 0.267 6 0 "[ . 1 . 2]"
1 40 VAL 3.378 0.162 20 0 "[ . 1 . 2]"
1 41 VAL 5.852 0.308 12 0 "[ . 1 . 2]"
1 42 ILE 4.481 0.400 11 0 "[ . 1 . 2]"
1 43 ALA 5.055 0.400 11 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.191 0.092 11 0 "[ . 1 . 2]"
1 46 ILE 0.805 0.109 11 0 "[ . 1 . 2]"
1 47 SER 0.413 0.083 4 0 "[ . 1 . 2]"
1 49 ALA 0.016 0.016 10 0 "[ . 1 . 2]"
1 50 ASP 0.361 0.132 8 0 "[ . 1 . 2]"
1 51 VAL 0.376 0.132 8 0 "[ . 1 . 2]"
1 52 ILE 1.144 0.125 4 0 "[ . 1 . 2]"
1 53 SER 1.144 0.125 4 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 5.121 0.300 15 0 "[ . 1 . 2]"
1 59 CYS 1.582 0.098 18 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.026 0.016 4 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 8.769 0.300 15 0 "[ . 1 . 2]"
1 65 PRO 1.417 0.145 13 0 "[ . 1 . 2]"
1 66 TYR 6.594 0.216 11 0 "[ . 1 . 2]"
1 67 ILE 6.893 0.429 13 0 "[ . 1 . 2]"
1 68 PHE 0.067 0.039 14 0 "[ . 1 . 2]"
1 69 ILE 1.378 0.217 14 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LEU 0.307 0.084 11 0 "[ . 1 . 2]"
1 76 GLY 0.148 0.031 19 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 1.886 0.144 11 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.133 0.031 19 0 "[ . 1 . 2]"
1 85 THR 0.251 0.066 16 0 "[ . 1 . 2]"
1 86 SER 2.427 0.109 11 0 "[ . 1 . 2]"
1 87 VAL 3.265 0.149 10 0 "[ . 1 . 2]"
1 88 VAL 4.503 0.309 18 0 "[ . 1 . 2]"
1 89 PHE 0.232 0.084 13 0 "[ . 1 . 2]"
1 90 ILE 13.816 0.308 12 0 "[ . 1 . 2]"
1 91 VAL 5.382 0.222 17 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.135 0.053 12 0 "[ . 1 . 2]"
1 94 SER 0.044 0.029 2 0 "[ . 1 . 2]"
1 95 ASN 0.128 0.056 14 0 "[ . 1 . 2]"
1 96 LYS 0.084 0.056 14 0 "[ . 1 . 2]"
1 98 LYS 0.234 0.065 17 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LYS 2.899 0.209 20 0 "[ . 1 . 2]"
1 107 TYR 0.679 0.184 5 0 "[ . 1 . 2]"
1 108 LYS 2.730 0.239 16 0 "[ . 1 . 2]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 1.543 0.295 12 0 "[ . 1 . 2]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.256 0.079 12 0 "[ . 1 . 2]"
1 115 VAL 7.080 0.429 13 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 1.453 0.145 13 0 "[ . 1 . 2]"
1 119 GLN 0.185 0.185 12 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.035 0.022 9 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 2 LYS H 1 3 LYS H . . 4.410 2.719 2.582 2.856 . 0 0 "[ . 1 . 2]" 1
2 1 3 LYS H 1 4 LEU H . . 4.480 2.684 2.397 2.802 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 5 ASN H . . 4.250 2.896 2.805 2.993 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASN H 1 6 LYS H . . 4.200 2.836 2.696 3.003 . 0 0 "[ . 1 . 2]" 1
5 1 7 LYS H 1 8 VAL H . . 4.300 2.813 2.694 2.943 . 0 0 "[ . 1 . 2]" 1
6 1 8 VAL H 1 9 LEU H . . 3.800 2.884 2.734 2.970 . 0 0 "[ . 1 . 2]" 1
7 1 9 LEU H 1 10 LYS H . . 3.870 2.825 2.724 2.992 . 0 0 "[ . 1 . 2]" 1
8 1 11 THR H 1 12 VAL H . . 4.120 2.857 2.663 3.007 . 0 0 "[ . 1 . 2]" 1
9 1 12 VAL H 1 13 LYS H . . 5.500 2.661 2.521 2.741 . 0 0 "[ . 1 . 2]" 1
10 1 13 LYS H 1 14 LYS H . . 4.310 2.691 2.496 2.941 . 0 0 "[ . 1 . 2]" 1
11 1 16 SER H 1 17 LYS H . . 4.150 2.712 2.578 2.809 . 0 0 "[ . 1 . 2]" 1
12 1 17 LYS H 1 18 ALA H . . 3.670 2.381 2.345 2.557 . 0 0 "[ . 1 . 2]" 1
13 1 18 ALA H 1 19 LYS H . . 3.210 2.475 2.357 2.615 . 0 0 "[ . 1 . 2]" 1
14 1 19 LYS H 1 20 ASN H . . 3.720 2.747 2.600 2.985 . 0 0 "[ . 1 . 2]" 1
15 1 20 ASN H 1 21 VAL H . . 4.570 2.074 1.862 2.248 . 0 0 "[ . 1 . 2]" 1
16 1 23 ARG H 1 24 GLY H . . 4.850 4.553 4.310 4.579 . 0 0 "[ . 1 . 2]" 1
17 1 26 LYS H 1 27 GLU H . . 4.320 2.774 2.504 2.929 . 0 0 "[ . 1 . 2]" 1
18 1 27 GLU H 1 28 VAL H . . 4.670 2.684 2.565 2.790 . 0 0 "[ . 1 . 2]" 1
19 1 28 VAL H 1 29 VAL H . . 3.670 2.856 2.636 2.946 . 0 0 "[ . 1 . 2]" 1
20 1 29 VAL H 1 30 LYS H . . 3.880 2.713 2.597 2.837 . 0 0 "[ . 1 . 2]" 1
21 1 31 ALA H 1 32 LEU H . . 3.440 2.603 2.550 2.754 . 0 0 "[ . 1 . 2]" 1
22 1 33 ARG H 1 34 LYS H . . 3.880 2.546 2.505 2.656 . 0 0 "[ . 1 . 2]" 1
23 1 36 GLU H 1 37 LYS H . . 4.420 3.877 3.754 3.996 . 0 0 "[ . 1 . 2]" 1
24 1 38 GLY H 1 39 LEU H . . 4.940 2.576 2.449 2.729 . 0 0 "[ . 1 . 2]" 1
25 1 39 LEU H 1 40 VAL H . . 4.770 4.087 4.053 4.127 . 0 0 "[ . 1 . 2]" 1
26 1 45 ASP H 1 46 ILE H . . 4.340 2.206 1.981 2.453 . 0 0 "[ . 1 . 2]" 1
27 1 52 ILE H 1 53 SER H . . 4.050 2.550 2.445 2.609 . 0 0 "[ . 1 . 2]" 1
28 1 57 VAL H 1 58 LEU H . . 4.130 2.685 2.665 2.706 . 0 0 "[ . 1 . 2]" 1
29 1 58 LEU H 1 59 CYS H . . 4.030 2.592 2.554 2.618 . 0 0 "[ . 1 . 2]" 1
30 1 59 CYS H 1 60 GLU H . . 4.620 2.557 2.515 2.577 . 0 0 "[ . 1 . 2]" 1
31 1 61 ASP H 1 62 HIS H . . 4.110 2.510 2.490 2.575 . 0 0 "[ . 1 . 2]" 1
32 1 63 SER H 1 64 VAL H . . 4.460 3.043 2.605 3.421 . 0 0 "[ . 1 . 2]" 1
33 1 71 SER H 1 72 LYS H . . 4.840 3.608 3.360 3.961 . 0 0 "[ . 1 . 2]" 1
34 1 94 SER H 1 95 ASN H . . 4.390 3.971 2.058 4.419 0.029 2 0 "[ . 1 . 2]" 1
35 1 95 ASN H 1 96 LYS H . . 4.260 2.662 2.319 3.063 . 0 0 "[ . 1 . 2]" 1
36 1 108 LYS H 1 109 GLU H . . 4.390 2.866 2.669 3.101 . 0 0 "[ . 1 . 2]" 1
37 1 109 GLU H 1 110 SER H . . 5.500 3.013 2.850 3.120 . 0 0 "[ . 1 . 2]" 1
38 1 110 SER H 1 111 PHE H . . 5.390 2.737 2.589 2.924 . 0 0 "[ . 1 . 2]" 1
39 1 111 PHE H 1 112 ASN H . . 3.800 2.877 2.796 2.970 . 0 0 "[ . 1 . 2]" 1
40 1 112 ASN H 1 113 GLU H . . 3.710 2.758 2.670 2.836 . 0 0 "[ . 1 . 2]" 1
41 1 114 VAL H 1 115 VAL H . . 3.800 2.691 2.551 2.825 . 0 0 "[ . 1 . 2]" 1
42 1 115 VAL H 1 116 LYS H . . 3.800 2.711 2.481 3.008 . 0 0 "[ . 1 . 2]" 1
43 1 117 GLU H 1 118 VAL H . . 3.870 2.594 2.450 2.777 . 0 0 "[ . 1 . 2]" 1
44 1 120 ALA H 1 121 LEU H . . 3.690 2.620 2.394 2.828 . 0 0 "[ . 1 . 2]" 1
45 1 21 VAL HA 1 22 LYS H . . 3.530 2.190 2.170 2.250 . 0 0 "[ . 1 . 2]" 1
46 1 22 LYS HA 1 23 ARG H . . 3.470 2.154 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
47 1 23 ARG HA 1 24 GLY H . . 3.700 2.359 2.144 2.473 . 0 0 "[ . 1 . 2]" 1
48 1 35 GLY QA 1 36 GLU H . . 4.300 2.912 2.910 2.917 . 0 0 "[ . 1 . 2]" 1
49 1 38 GLY QA 1 39 LEU H . . 4.100 2.467 2.404 2.506 . 0 0 "[ . 1 . 2]" 1
50 1 39 LEU HA 1 40 VAL H . . 4.300 2.142 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
51 1 40 VAL HA 1 41 VAL H . . 4.300 2.205 2.197 2.218 . 0 0 "[ . 1 . 2]" 1
52 1 41 VAL HA 1 42 ILE H . . 3.800 2.146 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
53 1 42 ILE HA 1 43 ALA H . . 4.300 2.231 2.153 2.314 . 0 0 "[ . 1 . 2]" 1
54 1 43 ALA HA 1 44 GLY H . . 4.300 2.155 2.147 2.163 . 0 0 "[ . 1 . 2]" 1
55 1 63 SER HA 1 64 VAL H . . 3.800 2.391 2.194 2.670 . 0 0 "[ . 1 . 2]" 1
56 1 65 PRO HA 1 66 TYR H . . 3.800 2.321 2.313 2.331 . 0 0 "[ . 1 . 2]" 1
57 1 66 TYR HA 1 67 ILE H . . 3.450 2.156 2.150 2.165 . 0 0 "[ . 1 . 2]" 1
58 1 67 ILE HA 1 68 PHE H . . 4.300 2.258 2.213 2.287 . 0 0 "[ . 1 . 2]" 1
59 1 68 PHE HA 1 69 ILE H . . 4.300 2.242 2.181 2.326 . 0 0 "[ . 1 . 2]" 1
60 1 87 VAL HA 1 88 VAL H . . 4.300 2.145 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
61 1 88 VAL HA 1 89 PHE H . . 3.800 2.261 2.141 2.303 . 0 0 "[ . 1 . 2]" 1
62 1 89 PHE HA 1 90 ILE H . . 3.800 2.148 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
63 1 90 ILE HA 1 91 VAL H . . 3.800 2.219 2.174 2.281 . 0 0 "[ . 1 . 2]" 1
64 1 4 LEU QB 1 5 ASN H . . 4.390 2.198 2.094 2.438 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASN QB 1 6 LYS H . . 4.200 2.593 2.307 2.839 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS QB 1 7 LYS H . . 3.720 2.295 2.062 2.545 . 0 0 "[ . 1 . 2]" 1
67 1 7 LYS QB 1 8 VAL H . . 4.090 2.499 2.277 2.697 . 0 0 "[ . 1 . 2]" 1
68 1 8 VAL HB 1 9 LEU H . . 4.020 2.237 2.147 2.405 . 0 0 "[ . 1 . 2]" 1
69 1 10 LYS QB 1 11 THR H . . 3.730 2.582 2.402 2.708 . 0 0 "[ . 1 . 2]" 1
70 1 11 THR HB 1 12 VAL H . . 4.220 2.237 2.053 2.559 . 0 0 "[ . 1 . 2]" 1
71 1 14 LYS QB 1 15 ALA H . . 3.560 2.597 2.120 2.824 . 0 0 "[ . 1 . 2]" 1
72 1 15 ALA MB 1 16 SER H . . 4.500 2.938 2.624 3.104 . 0 0 "[ . 1 . 2]" 1
73 1 16 SER QB 1 17 LYS H . . 3.960 2.999 2.710 3.301 . 0 0 "[ . 1 . 2]" 1
74 1 17 LYS QB 1 18 ALA H . . 3.740 2.946 2.801 3.048 . 0 0 "[ . 1 . 2]" 1
75 1 18 ALA MB 1 19 LYS H . . 3.800 3.382 3.298 3.491 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL HB 1 22 LYS H . . 4.500 3.551 2.843 4.040 . 0 0 "[ . 1 . 2]" 1
77 1 22 LYS QB 1 23 ARG H . . 4.010 3.471 3.168 3.511 . 0 0 "[ . 1 . 2]" 1
78 1 23 ARG QB 1 24 GLY H . . 4.540 2.615 2.400 3.331 . 0 0 "[ . 1 . 2]" 1
79 1 26 LYS QB 1 27 GLU H . . 3.440 2.483 2.102 2.745 . 0 0 "[ . 1 . 2]" 1
80 1 27 GLU QB 1 28 VAL H . . 3.900 2.687 2.329 3.489 . 0 0 "[ . 1 . 2]" 1
81 1 28 VAL HB 1 29 VAL H . . 3.720 2.651 2.185 3.572 . 0 0 "[ . 1 . 2]" 1
82 1 30 LYS QB 1 31 ALA H . . 3.420 2.650 2.416 2.737 . 0 0 "[ . 1 . 2]" 1
83 1 31 ALA MB 1 32 LEU H . . 3.550 2.686 2.644 2.747 . 0 0 "[ . 1 . 2]" 1
84 1 34 LYS QB 1 35 GLY H . . 4.050 3.201 2.909 3.831 . 0 0 "[ . 1 . 2]" 1
85 1 36 GLU QB 1 37 LYS H . . 3.860 3.855 3.788 3.924 0.064 15 0 "[ . 1 . 2]" 1
86 1 37 LYS QB 1 38 GLY H . . 3.840 2.017 1.933 2.497 . 0 0 "[ . 1 . 2]" 1
87 1 39 LEU QB 1 40 VAL H . . 4.350 3.795 3.757 3.819 . 0 0 "[ . 1 . 2]" 1
88 1 40 VAL HB 1 41 VAL H . . 5.410 4.248 4.198 4.272 . 0 0 "[ . 1 . 2]" 1
89 1 50 ASP QB 1 51 VAL H . . 5.500 2.816 2.298 3.374 . 0 0 "[ . 1 . 2]" 1
90 1 51 VAL HB 1 52 ILE H . . 5.240 3.582 2.440 4.002 . 0 0 "[ . 1 . 2]" 1
91 1 58 LEU QB 1 59 CYS H . . 4.040 3.473 3.409 3.525 . 0 0 "[ . 1 . 2]" 1
92 1 59 CYS QB 1 60 GLU H . . 4.370 2.505 2.444 2.678 . 0 0 "[ . 1 . 2]" 1
93 1 61 ASP QB 1 62 HIS H . . 3.960 2.429 2.337 2.476 . 0 0 "[ . 1 . 2]" 1
94 1 65 PRO QB 1 66 TYR H . . 4.320 3.834 3.826 3.844 . 0 0 "[ . 1 . 2]" 1
95 1 66 TYR QB 1 67 ILE H . . 4.410 3.513 3.454 3.547 . 0 0 "[ . 1 . 2]" 1
96 1 67 ILE HB 1 68 PHE H . . 4.030 3.974 3.944 4.069 0.039 14 0 "[ . 1 . 2]" 1
97 1 75 LEU QB 1 76 GLY H . . 4.820 2.497 2.309 2.816 . 0 0 "[ . 1 . 2]" 1
98 1 80 ALA MB 1 81 THR H . . 3.850 3.355 2.831 3.479 . 0 0 "[ . 1 . 2]" 1
99 1 86 SER QB 1 87 VAL H . . 5.250 3.157 2.740 3.539 . 0 0 "[ . 1 . 2]" 1
100 1 88 VAL HB 1 89 PHE H . . 4.460 3.740 2.797 4.279 . 0 0 "[ . 1 . 2]" 1
101 1 95 ASN QB 1 96 LYS H . . 3.280 2.764 2.057 3.336 0.056 14 0 "[ . 1 . 2]" 1
102 1 111 PHE QB 1 112 ASN H . . 4.230 2.111 1.971 2.250 . 0 0 "[ . 1 . 2]" 1
103 1 112 ASN QB 1 113 GLU H . . 3.760 2.891 2.741 3.457 . 0 0 "[ . 1 . 2]" 1
104 1 113 GLU QB 1 114 VAL H . . 3.460 2.202 2.062 2.387 . 0 0 "[ . 1 . 2]" 1
105 1 114 VAL HB 1 115 VAL H . . 4.300 3.673 3.427 3.899 . 0 0 "[ . 1 . 2]" 1
106 1 117 GLU QB 1 118 VAL H . . 3.580 2.619 2.448 3.427 . 0 0 "[ . 1 . 2]" 1
107 1 2 LYS QB 1 3 LYS HA . . 3.850 3.879 3.815 4.063 0.213 12 0 "[ . 1 . 2]" 1
108 1 4 LEU HG 1 5 ASN H . . 5.500 4.049 3.692 4.242 . 0 0 "[ . 1 . 2]" 1
109 1 4 LEU MD1 1 5 ASN H . . 5.500 4.599 4.337 4.735 . 0 0 "[ . 1 . 2]" 1
110 1 4 LEU MD2 1 5 ASN H . . 5.500 3.665 2.494 4.082 . 0 0 "[ . 1 . 2]" 1
111 1 5 ASN QB 1 6 LYS QB . . 5.130 4.453 3.982 4.782 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS QB 1 8 VAL HA . . 4.350 3.831 3.728 3.896 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS H 1 8 VAL QG . . 4.150 4.141 4.060 4.188 0.038 3 0 "[ . 1 . 2]" 1
114 1 8 VAL QG 1 9 LEU H . . 3.400 3.014 2.882 3.187 . 0 0 "[ . 1 . 2]" 1
115 1 10 LYS QG 1 11 THR H . . 4.650 4.270 4.030 4.542 . 0 0 "[ . 1 . 2]" 1
116 1 10 LYS QB 1 11 THR HA . . 4.250 3.815 3.710 3.887 . 0 0 "[ . 1 . 2]" 1
117 1 11 THR MG 1 12 VAL HA . . 3.900 3.826 3.662 3.937 0.037 14 0 "[ . 1 . 2]" 1
118 1 11 THR MG 1 12 VAL HB . . 4.500 4.655 4.588 4.719 0.219 6 0 "[ . 1 . 2]" 1
119 1 11 THR MG 1 12 VAL H . . 4.300 3.519 3.411 3.681 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR HB 1 12 VAL HB . . 4.280 3.981 3.855 4.083 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR H 1 12 VAL QG . . 4.070 3.743 3.660 3.863 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR HA 1 12 VAL QG . . 5.320 4.741 4.647 4.815 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR HB 1 12 VAL QG . . 5.210 3.741 3.543 4.072 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR HA 1 12 VAL HA . . 4.940 4.764 4.725 4.792 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL QG 1 13 LYS H . . 3.950 2.069 1.886 2.293 . 0 0 "[ . 1 . 2]" 1
126 1 14 LYS QB 1 15 ALA HA . . 4.820 3.873 3.756 3.974 . 0 0 "[ . 1 . 2]" 1
127 1 15 ALA MB 1 16 SER QB . . 4.450 4.217 3.998 4.402 . 0 0 "[ . 1 . 2]" 1
128 1 15 ALA MB 1 16 SER HA . . 3.960 3.832 3.715 3.966 0.006 17 0 "[ . 1 . 2]" 1
129 1 19 LYS QG 1 20 ASN HA . . 5.500 4.605 4.314 5.596 0.096 1 0 "[ . 1 . 2]" 1
130 1 19 LYS HA 1 20 ASN HA . . 4.620 4.501 4.395 4.599 . 0 0 "[ . 1 . 2]" 1
131 1 19 LYS QG 1 20 ASN H . . 4.410 4.278 4.101 4.450 0.040 1 0 "[ . 1 . 2]" 1
132 1 21 VAL QG 1 22 LYS H . . 3.870 2.737 2.139 3.434 . 0 0 "[ . 1 . 2]" 1
133 1 25 VAL H 1 26 LYS QB . . 4.390 4.449 4.355 4.537 0.147 13 0 "[ . 1 . 2]" 1
134 1 25 VAL QG 1 26 LYS QB . . 3.170 3.006 2.864 3.137 . 0 0 "[ . 1 . 2]" 1
135 1 25 VAL QG 1 26 LYS H . . 3.730 2.015 1.895 2.135 . 0 0 "[ . 1 . 2]" 1
136 1 28 VAL QG 1 29 VAL H . . 3.670 2.407 1.901 2.803 . 0 0 "[ . 1 . 2]" 1
137 1 29 VAL QG 1 30 LYS H . . 3.830 2.471 2.065 3.220 . 0 0 "[ . 1 . 2]" 1
138 1 29 VAL QG 1 30 LYS HA . . 3.300 3.142 2.984 3.338 0.038 16 0 "[ . 1 . 2]" 1
139 1 32 LEU HG 1 33 ARG H . . 3.950 2.456 2.378 2.511 . 0 0 "[ . 1 . 2]" 1
140 1 34 LYS QB 1 35 GLY QA . . 5.340 4.096 3.980 4.480 . 0 0 "[ . 1 . 2]" 1
141 1 34 LYS QG 1 35 GLY H . . 4.930 4.554 2.752 4.880 . 0 0 "[ . 1 . 2]" 1
142 1 35 GLY H 1 36 GLU QG . . 5.450 4.155 3.599 4.711 . 0 0 "[ . 1 . 2]" 1
143 1 35 GLY QA 1 36 GLU QB . . 5.340 4.652 4.525 4.777 . 0 0 "[ . 1 . 2]" 1
144 1 37 LYS QG 1 38 GLY H . . 4.860 3.747 2.305 4.038 . 0 0 "[ . 1 . 2]" 1
145 1 37 LYS QB 1 38 GLY HA2 . . 5.500 3.969 3.839 4.548 . 0 0 "[ . 1 . 2]" 1
146 1 38 GLY H 1 39 LEU HB2 . . 5.500 5.307 5.209 5.393 . 0 0 "[ . 1 . 2]" 1
147 1 38 GLY H 1 39 LEU HB3 . . 5.500 5.396 5.296 5.513 0.013 2 0 "[ . 1 . 2]" 1
148 1 38 GLY HA3 1 39 LEU MD1 . . 5.500 5.482 5.310 5.595 0.095 17 0 "[ . 1 . 2]" 1
149 1 38 GLY HA3 1 39 LEU MD2 . . 5.500 5.723 5.666 5.767 0.267 6 0 "[ . 1 . 2]" 1
150 1 39 LEU QD 1 40 VAL H . . 4.390 2.946 2.497 3.332 . 0 0 "[ . 1 . 2]" 1
151 1 39 LEU HA 1 40 VAL QG . . 4.420 3.309 3.237 3.346 . 0 0 "[ . 1 . 2]" 1
152 1 39 LEU HG 1 40 VAL H . . 5.170 3.141 2.830 3.492 . 0 0 "[ . 1 . 2]" 1
153 1 41 VAL QG 1 42 ILE H . . 4.140 2.873 2.676 2.998 . 0 0 "[ . 1 . 2]" 1
154 1 42 ILE QG 1 43 ALA H . . 4.320 4.483 3.599 4.720 0.400 11 0 "[ . 1 . 2]" 1
155 1 42 ILE MG 1 43 ALA H . . 4.140 2.204 1.955 2.568 . 0 0 "[ . 1 . 2]" 1
156 1 42 ILE MG 1 43 ALA HA . . 4.000 3.925 3.674 4.048 0.048 11 0 "[ . 1 . 2]" 1
157 1 42 ILE HA 1 43 ALA MB . . 4.930 3.950 3.870 4.042 . 0 0 "[ . 1 . 2]" 1
158 1 42 ILE MD 1 43 ALA MB . . 5.500 4.805 4.574 5.122 . 0 0 "[ . 1 . 2]" 1
159 1 45 ASP QB 1 46 ILE HA . . 5.060 4.499 4.106 4.815 . 0 0 "[ . 1 . 2]" 1
160 1 45 ASP HA 1 46 ILE QG . . 4.500 4.389 4.246 4.592 0.092 11 0 "[ . 1 . 2]" 1
161 1 49 ALA HA 1 50 ASP QB . . 5.440 5.268 5.064 5.430 . 0 0 "[ . 1 . 2]" 1
162 1 50 ASP QB 1 51 VAL QG . . 4.310 3.684 2.736 4.442 0.132 8 0 "[ . 1 . 2]" 1
163 1 50 ASP QB 1 51 VAL HA . . 5.500 3.946 3.762 4.302 . 0 0 "[ . 1 . 2]" 1
164 1 51 VAL QG 1 52 ILE H . . 4.410 2.265 1.930 3.196 . 0 0 "[ . 1 . 2]" 1
165 1 52 ILE MG 1 53 SER H . . 5.040 3.782 2.112 4.229 . 0 0 "[ . 1 . 2]" 1
166 1 52 ILE H 1 53 SER HA . . 5.090 5.147 5.080 5.215 0.125 4 0 "[ . 1 . 2]" 1
167 1 57 VAL MG1 1 58 LEU H . . 4.320 2.938 2.684 3.191 . 0 0 "[ . 1 . 2]" 1
168 1 57 VAL MG2 1 58 LEU H . . 4.320 3.827 3.721 3.946 . 0 0 "[ . 1 . 2]" 1
169 1 57 VAL HA 1 58 LEU QB . . 5.450 5.334 5.290 5.376 . 0 0 "[ . 1 . 2]" 1
170 1 57 VAL HA 1 58 LEU HG . . 6.500 5.928 5.743 6.114 . 0 0 "[ . 1 . 2]" 1
171 1 57 VAL QG 1 58 LEU HA . . 3.570 3.125 2.918 3.316 . 0 0 "[ . 1 . 2]" 1
172 1 58 LEU QD 1 59 CYS H . . 3.950 3.091 2.863 3.231 . 0 0 "[ . 1 . 2]" 1
173 1 58 LEU QD 1 59 CYS HA . . 4.900 2.827 2.493 3.243 . 0 0 "[ . 1 . 2]" 1
174 1 63 SER H 1 64 VAL HB . . 4.990 4.463 4.364 4.800 . 0 0 "[ . 1 . 2]" 1
175 1 63 SER HA 1 64 VAL HB . . 5.500 4.571 4.399 4.729 . 0 0 "[ . 1 . 2]" 1
176 1 66 TYR HA 1 67 ILE MG . . 6.500 3.696 3.603 3.781 . 0 0 "[ . 1 . 2]" 1
177 1 67 ILE MG 1 68 PHE HA . . 4.210 3.842 3.683 3.990 . 0 0 "[ . 1 . 2]" 1
178 1 67 ILE QG 1 68 PHE H . . 3.960 1.956 1.889 2.176 . 0 0 "[ . 1 . 2]" 1
179 1 67 ILE MG 1 68 PHE H . . 3.890 3.669 3.532 3.770 . 0 0 "[ . 1 . 2]" 1
180 1 67 ILE MD 1 68 PHE H . . 4.450 2.663 2.510 2.868 . 0 0 "[ . 1 . 2]" 1
181 1 75 LEU MD1 1 76 GLY H . . 5.500 4.156 2.882 4.920 . 0 0 "[ . 1 . 2]" 1
182 1 75 LEU MD2 1 76 GLY H . . 5.500 4.188 2.493 4.851 . 0 0 "[ . 1 . 2]" 1
183 1 75 LEU QB 1 76 GLY QA . . 5.340 3.581 3.486 3.926 . 0 0 "[ . 1 . 2]" 1
184 1 78 ALA MB 1 79 GLY QA . . 5.130 3.490 3.429 3.655 . 0 0 "[ . 1 . 2]" 1
185 1 85 THR MG 1 86 SER H . . 4.900 2.630 1.912 4.129 . 0 0 "[ . 1 . 2]" 1
186 1 86 SER HA 1 87 VAL HA . . 4.470 4.527 4.444 4.554 0.084 12 0 "[ . 1 . 2]" 1
187 1 86 SER HA 1 87 VAL QG . . 4.610 4.147 3.914 4.218 . 0 0 "[ . 1 . 2]" 1
188 1 86 SER QB 1 87 VAL HB . . 5.500 5.377 5.131 5.588 0.088 20 0 "[ . 1 . 2]" 1
189 1 86 SER QB 1 87 VAL MG1 . . 4.390 3.213 2.978 3.686 . 0 0 "[ . 1 . 2]" 1
190 1 86 SER QB 1 87 VAL MG2 . . 4.390 3.269 2.794 3.653 . 0 0 "[ . 1 . 2]" 1
191 1 86 SER H 1 87 VAL MG1 . . 6.500 4.629 4.321 5.298 . 0 0 "[ . 1 . 2]" 1
192 1 86 SER H 1 87 VAL MG2 . . 5.090 3.342 2.994 4.186 . 0 0 "[ . 1 . 2]" 1
193 1 87 VAL HA 1 88 VAL QG . . 4.530 3.602 3.355 3.763 . 0 0 "[ . 1 . 2]" 1
194 1 88 VAL QG 1 89 PHE HA . . 4.400 3.605 3.415 3.866 . 0 0 "[ . 1 . 2]" 1
195 1 89 PHE HA 1 90 ILE MD . . 4.430 3.749 3.676 3.883 . 0 0 "[ . 1 . 2]" 1
196 1 89 PHE HB2 1 90 ILE MD . . 5.500 5.417 5.324 5.525 0.025 15 0 "[ . 1 . 2]" 1
197 1 89 PHE HB3 1 90 ILE MD . . 5.500 5.055 4.962 5.181 . 0 0 "[ . 1 . 2]" 1
198 1 89 PHE HD1 1 90 ILE H . . 5.180 2.876 2.587 3.107 . 0 0 "[ . 1 . 2]" 1
199 1 89 PHE HD1 1 90 ILE MD . . 5.500 5.028 4.830 5.180 . 0 0 "[ . 1 . 2]" 1
200 1 90 ILE HA 1 91 VAL QG . . 5.440 3.184 3.116 3.237 . 0 0 "[ . 1 . 2]" 1
201 1 90 ILE MG 1 91 VAL HA . . 4.460 3.740 3.648 3.816 . 0 0 "[ . 1 . 2]" 1
202 1 90 ILE MG 1 91 VAL H . . 4.400 2.216 1.963 2.379 . 0 0 "[ . 1 . 2]" 1
203 1 90 ILE MD 1 91 VAL H . . 4.250 3.767 3.626 3.887 . 0 0 "[ . 1 . 2]" 1
204 1 92 PRO QB 1 93 GLY QA . . 4.820 4.150 3.902 4.409 . 0 0 "[ . 1 . 2]" 1
205 1 92 PRO QG 1 93 GLY QA . . 5.270 4.773 4.290 5.012 . 0 0 "[ . 1 . 2]" 1
206 1 100 GLY QA 1 101 LYS QB . . 5.150 3.977 3.619 4.407 . 0 0 "[ . 1 . 2]" 1
207 1 101 LYS QB 1 102 ASN HA . . 4.620 4.370 4.074 4.620 . 0 0 "[ . 1 . 2]" 1
208 1 111 PHE QD 1 112 ASN H . . 4.950 3.753 2.928 4.102 . 0 0 "[ . 1 . 2]" 1
209 1 112 ASN QB 1 113 GLU HA . . 4.840 4.294 3.916 4.674 . 0 0 "[ . 1 . 2]" 1
210 1 113 GLU H 1 114 VAL QG . . 4.270 3.535 3.430 3.677 . 0 0 "[ . 1 . 2]" 1
211 1 114 VAL HB 1 115 VAL HA . . 4.830 4.397 4.218 4.601 . 0 0 "[ . 1 . 2]" 1
212 1 114 VAL HA 1 115 VAL QG . . 5.010 4.756 4.664 4.843 . 0 0 "[ . 1 . 2]" 1
213 1 114 VAL HB 1 115 VAL QG . . 4.230 4.048 3.836 4.309 0.079 12 0 "[ . 1 . 2]" 1
214 1 114 VAL QG 1 115 VAL H . . 3.860 2.000 1.856 2.158 . 0 0 "[ . 1 . 2]" 1
215 1 115 VAL QG 1 116 LYS H . . 4.190 3.097 2.600 3.307 . 0 0 "[ . 1 . 2]" 1
216 1 117 GLU QG 1 118 VAL H . . 5.500 3.808 2.035 4.430 . 0 0 "[ . 1 . 2]" 1
217 1 3 LYS QG 1 5 ASN H . . 5.500 4.778 4.480 4.997 . 0 0 "[ . 1 . 2]" 1
218 1 4 LEU QB 1 6 LYS H . . 5.500 4.565 4.261 4.949 . 0 0 "[ . 1 . 2]" 1
219 1 5 ASN QB 1 7 LYS H . . 5.340 5.042 4.648 5.343 0.003 4 0 "[ . 1 . 2]" 1
220 1 6 LYS H 1 8 VAL H . . 5.500 4.222 3.870 4.663 . 0 0 "[ . 1 . 2]" 1
221 1 9 LEU H 1 11 THR H . . 5.500 4.324 4.129 4.561 . 0 0 "[ . 1 . 2]" 1
222 1 15 ALA H 1 17 LYS H . . 5.500 4.270 3.984 4.488 . 0 0 "[ . 1 . 2]" 1
223 1 16 SER HA 1 18 ALA H . . 4.110 4.076 3.906 4.153 0.043 17 0 "[ . 1 . 2]" 1
224 1 18 ALA H 1 20 ASN H . . 5.500 3.791 3.440 4.199 . 0 0 "[ . 1 . 2]" 1
225 1 18 ALA MB 1 20 ASN H . . 4.110 3.633 3.225 3.979 . 0 0 "[ . 1 . 2]" 1
226 1 18 ALA MB 1 20 ASN HA . . 5.500 4.708 4.510 4.998 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS HA 1 21 VAL H . . 4.600 3.537 3.164 3.832 . 0 0 "[ . 1 . 2]" 1
228 1 25 VAL QG 1 27 GLU H . . 4.500 4.141 3.978 4.326 . 0 0 "[ . 1 . 2]" 1
229 1 28 VAL H 1 30 LYS H . . 4.750 3.984 3.895 4.239 . 0 0 "[ . 1 . 2]" 1
230 1 29 VAL H 1 31 ALA H . . 4.620 4.200 4.068 4.413 . 0 0 "[ . 1 . 2]" 1
231 1 29 VAL QG 1 31 ALA H . . 5.040 4.240 4.012 4.734 . 0 0 "[ . 1 . 2]" 1
232 1 33 ARG H 1 35 GLY H . . 4.380 3.467 3.411 3.585 . 0 0 "[ . 1 . 2]" 1
233 1 33 ARG HA 1 35 GLY H . . 5.500 3.911 3.817 4.119 . 0 0 "[ . 1 . 2]" 1
234 1 34 LYS QB 1 36 GLU H . . 5.500 2.714 2.518 3.402 . 0 0 "[ . 1 . 2]" 1
235 1 36 GLU QB 1 38 GLY QA . . 6.500 6.257 6.093 6.420 . 0 0 "[ . 1 . 2]" 1
236 1 37 LYS HA 1 39 LEU H . . 5.500 4.650 4.566 4.784 . 0 0 "[ . 1 . 2]" 1
237 1 43 ALA HA 1 45 ASP H . . 5.500 3.504 3.416 3.678 . 0 0 "[ . 1 . 2]" 1
238 1 43 ALA MB 1 45 ASP H . . 5.500 2.766 2.353 2.932 . 0 0 "[ . 1 . 2]" 1
239 1 49 ALA HA 1 51 VAL QG . . 4.480 3.776 2.613 4.496 0.016 10 0 "[ . 1 . 2]" 1
240 1 49 ALA HA 1 51 VAL H . . 5.500 4.143 3.397 4.767 . 0 0 "[ . 1 . 2]" 1
241 1 51 VAL QG 1 53 SER H . . 5.390 3.921 3.735 4.213 . 0 0 "[ . 1 . 2]" 1
242 1 58 LEU H 1 60 GLU H . . 5.100 4.288 4.104 4.346 . 0 0 "[ . 1 . 2]" 1
243 1 59 CYS H 1 61 ASP H . . 5.500 3.631 3.599 3.690 . 0 0 "[ . 1 . 2]" 1
244 1 61 ASP QB 1 63 SER H . . 4.590 3.950 3.876 4.008 . 0 0 "[ . 1 . 2]" 1
245 1 62 HIS H 1 64 VAL QG . . 5.500 5.273 4.798 5.454 . 0 0 "[ . 1 . 2]" 1
246 1 64 VAL HB 1 66 TYR H . . 5.500 5.603 5.566 5.639 0.139 4 0 "[ . 1 . 2]" 1
247 1 64 VAL HB 1 66 TYR QB . . 5.500 4.787 4.733 4.831 . 0 0 "[ . 1 . 2]" 1
248 1 64 VAL QG 1 66 TYR QD . . 4.400 4.368 4.275 4.420 0.020 14 0 "[ . 1 . 2]" 1
249 1 75 LEU H 1 77 ALA H . . 5.500 4.346 4.085 4.837 . 0 0 "[ . 1 . 2]" 1
250 1 85 THR MG 1 87 VAL H . . 5.500 2.730 1.918 3.950 . 0 0 "[ . 1 . 2]" 1
251 1 89 PHE HD1 1 91 VAL QG . . 4.400 3.263 3.068 3.660 . 0 0 "[ . 1 . 2]" 1
252 1 111 PHE H 1 113 GLU H . . 4.300 3.872 3.715 4.021 . 0 0 "[ . 1 . 2]" 1
253 1 116 LYS HA 1 118 VAL H . . 5.500 4.491 4.296 4.731 . 0 0 "[ . 1 . 2]" 1
254 1 118 VAL H 1 120 ALA H . . 5.500 4.094 3.829 4.491 . 0 0 "[ . 1 . 2]" 1
255 1 5 ASN HA 1 8 VAL H . . 4.830 3.657 3.527 3.735 . 0 0 "[ . 1 . 2]" 1
256 1 5 ASN HA 1 8 VAL HB . . 4.250 2.775 2.405 3.283 . 0 0 "[ . 1 . 2]" 1
257 1 5 ASN H 1 8 VAL QG . . 5.440 4.056 3.913 4.301 . 0 0 "[ . 1 . 2]" 1
258 1 5 ASN HA 1 8 VAL QG . . 3.900 2.696 2.480 2.913 . 0 0 "[ . 1 . 2]" 1
259 1 5 ASN QB 1 8 VAL HB . . 5.500 4.688 4.413 5.087 . 0 0 "[ . 1 . 2]" 1
260 1 7 LYS HA 1 10 LYS H . . 4.500 3.713 3.618 3.844 . 0 0 "[ . 1 . 2]" 1
261 1 7 LYS HA 1 10 LYS QB . . 5.500 2.669 2.467 3.019 . 0 0 "[ . 1 . 2]" 1
262 1 8 VAL HA 1 11 THR H . . 4.500 3.483 3.370 3.589 . 0 0 "[ . 1 . 2]" 1
263 1 9 LEU HA 1 12 VAL HB . . 5.500 4.384 3.989 4.686 . 0 0 "[ . 1 . 2]" 1
264 1 11 THR MG 1 14 LYS QB . . 4.120 4.040 3.825 4.178 0.058 19 0 "[ . 1 . 2]" 1
265 1 11 THR HA 1 14 LYS QG . . 4.650 3.808 3.044 4.436 . 0 0 "[ . 1 . 2]" 1
266 1 12 VAL HA 1 15 ALA H . . 4.500 3.460 3.297 3.688 . 0 0 "[ . 1 . 2]" 1
267 1 12 VAL HA 1 15 ALA HA . . 5.500 5.431 5.193 5.649 0.149 17 0 "[ . 1 . 2]" 1
268 1 14 LYS HA 1 17 LYS H . . 4.500 4.017 3.734 4.406 . 0 0 "[ . 1 . 2]" 1
269 1 14 LYS HA 1 17 LYS QB . . 5.500 3.914 3.518 4.725 . 0 0 "[ . 1 . 2]" 1
270 1 15 ALA HA 1 18 ALA H . . 4.350 3.082 2.915 3.431 . 0 0 "[ . 1 . 2]" 1
271 1 15 ALA MB 1 18 ALA H . . 4.960 4.102 3.875 4.342 . 0 0 "[ . 1 . 2]" 1
272 1 15 ALA HA 1 18 ALA MB . . 3.510 2.642 1.979 3.289 . 0 0 "[ . 1 . 2]" 1
273 1 25 VAL HA 1 28 VAL HB . . 5.500 3.134 2.310 4.663 . 0 0 "[ . 1 . 2]" 1
274 1 27 GLU HA 1 30 LYS H . . 4.210 3.623 3.520 3.725 . 0 0 "[ . 1 . 2]" 1
275 1 27 GLU HA 1 30 LYS QB . . 5.500 2.534 2.365 2.881 . 0 0 "[ . 1 . 2]" 1
276 1 27 GLU HA 1 30 LYS QG . . 5.500 3.921 3.038 4.910 . 0 0 "[ . 1 . 2]" 1
277 1 28 VAL QG 1 31 ALA H . . 4.660 4.342 4.232 4.543 . 0 0 "[ . 1 . 2]" 1
278 1 29 VAL HA 1 32 LEU H . . 4.550 3.535 3.496 3.622 . 0 0 "[ . 1 . 2]" 1
279 1 29 VAL HA 1 32 LEU QD . . 4.210 1.944 1.911 1.973 . 0 0 "[ . 1 . 2]" 1
280 1 30 LYS HA 1 33 ARG H . . 4.500 3.279 3.147 3.347 . 0 0 "[ . 1 . 2]" 1
281 1 31 ALA HA 1 34 LYS H . . 4.500 4.017 3.959 4.045 . 0 0 "[ . 1 . 2]" 1
282 1 43 ALA MB 1 46 ILE H . . 5.500 2.180 1.906 3.124 . 0 0 "[ . 1 . 2]" 1
283 1 50 ASP HA 1 53 SER H . . 4.500 3.446 3.150 3.952 . 0 0 "[ . 1 . 2]" 1
284 1 58 LEU HA 1 61 ASP QB . . 4.360 2.291 2.226 2.325 . 0 0 "[ . 1 . 2]" 1
285 1 58 LEU QB 1 61 ASP QB . . 5.310 3.975 3.899 4.007 . 0 0 "[ . 1 . 2]" 1
286 1 58 LEU HG 1 61 ASP QB . . 5.340 5.308 5.261 5.356 0.016 4 0 "[ . 1 . 2]" 1
287 1 59 CYS HA 1 62 HIS H . . 4.500 3.852 3.805 4.020 . 0 0 "[ . 1 . 2]" 1
288 1 108 LYS HA 1 111 PHE QD . . 4.560 3.876 3.625 4.289 . 0 0 "[ . 1 . 2]" 1
289 1 108 LYS HA 1 111 PHE HB3 . . 4.140 2.710 2.151 3.248 . 0 0 "[ . 1 . 2]" 1
290 1 108 LYS HA 1 111 PHE HB2 . . 4.140 2.988 2.467 3.333 . 0 0 "[ . 1 . 2]" 1
291 1 111 PHE HA 1 114 VAL H . . 4.500 3.712 3.526 4.004 . 0 0 "[ . 1 . 2]" 1
292 1 111 PHE H 1 114 VAL QG . . 5.500 3.914 3.826 4.086 . 0 0 "[ . 1 . 2]" 1
293 1 111 PHE HA 1 114 VAL QG . . 5.500 2.109 1.898 2.500 . 0 0 "[ . 1 . 2]" 1
294 1 111 PHE HA 1 114 VAL HB . . 5.500 4.994 4.717 5.454 . 0 0 "[ . 1 . 2]" 1
295 1 112 ASN HA 1 115 VAL QG . . 4.070 3.008 2.874 3.078 . 0 0 "[ . 1 . 2]" 1
296 1 112 ASN HA 1 115 VAL HB . . 5.500 2.544 2.286 2.770 . 0 0 "[ . 1 . 2]" 1
297 1 115 VAL HA 1 118 VAL HB . . 5.500 3.434 3.022 3.855 . 0 0 "[ . 1 . 2]" 1
298 1 115 VAL HA 1 118 VAL QG . . 5.500 2.289 1.857 3.043 . 0 0 "[ . 1 . 2]" 1
299 1 118 VAL HA 1 121 LEU H . . 4.190 3.779 3.294 4.027 . 0 0 "[ . 1 . 2]" 1
300 1 118 VAL HA 1 121 LEU HG . . 3.990 3.182 2.097 3.994 0.004 8 0 "[ . 1 . 2]" 1
301 1 118 VAL HA 1 121 LEU QD . . 4.120 2.774 2.033 4.142 0.022 9 0 "[ . 1 . 2]" 1
302 1 11 THR HA 1 15 ALA MB . . 5.500 4.512 4.125 4.800 . 0 0 "[ . 1 . 2]" 1
303 1 15 ALA MB 1 19 LYS H . . 5.330 4.974 4.614 5.325 . 0 0 "[ . 1 . 2]" 1
304 1 16 SER HA 1 20 ASN H . . 5.500 3.336 3.058 3.558 . 0 0 "[ . 1 . 2]" 1
305 1 29 VAL HA 1 33 ARG H . . 4.640 4.089 4.005 4.247 . 0 0 "[ . 1 . 2]" 1
306 1 30 LYS HA 1 34 LYS H . . 5.500 3.330 3.178 3.701 . 0 0 "[ . 1 . 2]" 1
307 1 111 PHE QB 1 115 VAL QG . . 4.430 3.449 3.177 3.756 . 0 0 "[ . 1 . 2]" 1
308 1 111 PHE QD 1 115 VAL QG . . 4.370 3.011 2.918 3.139 . 0 0 "[ . 1 . 2]" 1
309 1 15 ALA HA 1 20 ASN H . . 4.760 4.561 4.002 4.840 0.080 19 0 "[ . 1 . 2]" 1
310 1 15 ALA HA 1 20 ASN QB . . 4.830 3.560 2.915 4.114 . 0 0 "[ . 1 . 2]" 1
311 1 15 ALA MB 1 20 ASN QB . . 4.330 2.118 1.861 3.040 . 0 0 "[ . 1 . 2]" 1
312 1 15 ALA MB 1 20 ASN H . . 3.910 3.506 3.115 4.040 0.130 20 0 "[ . 1 . 2]" 1
313 1 15 ALA MB 1 20 ASN HA . . 5.240 4.563 4.293 5.100 . 0 0 "[ . 1 . 2]" 1
314 1 16 SER HA 1 21 VAL H . . 5.030 3.062 2.501 3.371 . 0 0 "[ . 1 . 2]" 1
315 1 16 SER QB 1 21 VAL QG . . 3.290 2.219 1.851 2.648 . 0 0 "[ . 1 . 2]" 1
316 1 16 SER HA 1 21 VAL QG . . 4.110 1.861 1.723 2.082 . 0 0 "[ . 1 . 2]" 1
317 1 16 SER H 1 21 VAL QG . . 4.530 3.105 2.690 3.586 . 0 0 "[ . 1 . 2]" 1
318 1 16 SER HA 1 21 VAL HB . . 5.350 4.150 3.918 4.569 . 0 0 "[ . 1 . 2]" 1
319 1 16 SER H 1 21 VAL HB . . 5.500 5.276 4.785 5.613 0.113 20 0 "[ . 1 . 2]" 1
320 1 31 ALA HA 1 36 GLU H . . 4.600 3.364 3.183 3.656 . 0 0 "[ . 1 . 2]" 1
321 1 59 CYS HA 1 64 VAL HB . . 4.050 4.107 4.056 4.148 0.098 18 0 "[ . 1 . 2]" 1
322 1 59 CYS QB 1 64 VAL HB . . 5.500 5.210 5.092 5.356 . 0 0 "[ . 1 . 2]" 1
323 1 59 CYS HA 1 64 VAL QG . . 4.240 4.253 4.204 4.300 0.060 11 0 "[ . 1 . 2]" 1
324 1 59 CYS QB 1 64 VAL QG . . 4.860 4.478 4.428 4.598 . 0 0 "[ . 1 . 2]" 1
325 1 76 GLY QA 1 81 THR MG . . 3.880 3.763 3.155 3.911 0.031 19 0 "[ . 1 . 2]" 1
326 1 58 LEU HG 1 64 VAL QG . . 3.810 4.065 4.013 4.110 0.300 15 0 "[ . 1 . 2]" 1
327 1 58 LEU QD 1 64 VAL HA . . 4.410 4.026 3.935 4.149 . 0 0 "[ . 1 . 2]" 1
328 1 58 LEU QD 1 64 VAL HB . . 4.500 1.927 1.866 2.008 . 0 0 "[ . 1 . 2]" 1
329 1 58 LEU QD 1 64 VAL QG . . 3.390 1.988 1.826 2.206 . 0 0 "[ . 1 . 2]" 1
330 1 31 ALA MB 1 38 GLY HA3 . . 5.500 5.681 5.641 5.781 0.281 10 0 "[ . 1 . 2]" 1
331 1 58 LEU QD 1 66 TYR H . . 5.440 4.556 4.166 4.983 . 0 0 "[ . 1 . 2]" 1
332 1 58 LEU QD 1 66 TYR HA . . 5.220 4.794 4.378 5.220 0.000 12 0 "[ . 1 . 2]" 1
333 1 58 LEU QD 1 66 TYR QB . . 4.510 2.999 2.600 3.383 . 0 0 "[ . 1 . 2]" 1
334 1 58 LEU QD 1 66 TYR QD . . 5.180 4.089 3.809 4.415 . 0 0 "[ . 1 . 2]" 1
335 1 75 LEU MD1 1 86 SER H . . 5.200 4.362 3.273 5.174 . 0 0 "[ . 1 . 2]" 1
336 1 98 LYS HA 1 108 LYS QB . . 5.190 5.121 3.838 5.255 0.065 17 0 "[ . 1 . 2]" 1
337 1 42 ILE MD 1 66 TYR QD . . 4.370 3.527 2.886 3.684 . 0 0 "[ . 1 . 2]" 1
338 1 42 ILE MD 1 66 TYR QE . . 4.750 4.022 3.655 4.423 . 0 0 "[ . 1 . 2]" 1
339 1 42 ILE MD 1 66 TYR HA . . 5.500 5.397 4.705 5.560 0.060 5 0 "[ . 1 . 2]" 1
340 1 42 ILE QG 1 66 TYR QB . . 5.180 4.003 3.706 5.006 . 0 0 "[ . 1 . 2]" 1
341 1 42 ILE MD 1 66 TYR QB . . 5.000 4.565 4.144 4.770 . 0 0 "[ . 1 . 2]" 1
342 1 44 GLY QA 1 68 PHE QD . . 4.050 3.352 2.568 3.988 . 0 0 "[ . 1 . 2]" 1
343 1 90 ILE HB 1 111 PHE QD . . 5.500 4.780 4.386 4.995 . 0 0 "[ . 1 . 2]" 1
344 1 40 VAL H 1 65 PRO QB . . 5.230 3.850 3.759 3.906 . 0 0 "[ . 1 . 2]" 1
345 1 40 VAL H 1 65 PRO QG . . 5.500 3.737 3.658 3.784 . 0 0 "[ . 1 . 2]" 1
346 1 41 VAL H 1 66 TYR QD . . 5.500 5.568 5.534 5.715 0.215 20 0 "[ . 1 . 2]" 1
347 1 41 VAL HA 1 66 TYR HA . . 5.500 5.166 4.979 5.244 . 0 0 "[ . 1 . 2]" 1
348 1 42 ILE H 1 67 ILE H . . 4.870 4.111 4.028 4.253 . 0 0 "[ . 1 . 2]" 1
349 1 44 GLY H 1 69 ILE H . . 4.380 2.866 2.677 3.110 . 0 0 "[ . 1 . 2]" 1
350 1 44 GLY H 1 69 ILE QG . . 4.150 3.502 3.211 3.857 . 0 0 "[ . 1 . 2]" 1
351 1 39 LEU HA 1 65 PRO QB . . 4.720 2.793 2.713 2.861 . 0 0 "[ . 1 . 2]" 1
352 1 39 LEU QD 1 65 PRO QB . . 4.270 2.386 1.931 2.741 . 0 0 "[ . 1 . 2]" 1
353 1 39 LEU QD 1 65 PRO QG . . 4.020 3.568 3.123 3.941 . 0 0 "[ . 1 . 2]" 1
354 1 40 VAL QG 1 66 TYR HA . . 5.460 2.005 1.956 2.269 . 0 0 "[ . 1 . 2]" 1
355 1 40 VAL HB 1 66 TYR QB . . 5.340 1.926 1.892 1.963 . 0 0 "[ . 1 . 2]" 1
356 1 40 VAL H 1 66 TYR HA . . 4.440 2.234 2.187 2.305 . 0 0 "[ . 1 . 2]" 1
357 1 40 VAL H 1 66 TYR QD . . 5.500 4.888 4.829 4.993 . 0 0 "[ . 1 . 2]" 1
358 1 40 VAL HA 1 66 TYR HA . . 5.330 4.117 4.073 4.193 . 0 0 "[ . 1 . 2]" 1
359 1 40 VAL HB 1 66 TYR HA . . 4.610 2.041 1.944 2.235 . 0 0 "[ . 1 . 2]" 1
360 1 40 VAL QG 1 66 TYR H . . 5.440 3.425 3.364 3.617 . 0 0 "[ . 1 . 2]" 1
361 1 40 VAL QG 1 66 TYR HB2 . . 5.440 2.198 2.093 2.382 . 0 0 "[ . 1 . 2]" 1
362 1 40 VAL QG 1 66 TYR HB3 . . 4.810 2.957 2.873 3.137 . 0 0 "[ . 1 . 2]" 1
363 1 40 VAL QG 1 66 TYR QE . . 4.760 4.520 4.286 4.772 0.012 20 0 "[ . 1 . 2]" 1
364 1 40 VAL HB 1 66 TYR H . . 5.500 4.643 4.560 4.805 . 0 0 "[ . 1 . 2]" 1
365 1 40 VAL H 1 66 TYR QB . . 5.340 3.796 3.714 3.865 . 0 0 "[ . 1 . 2]" 1
366 1 40 VAL QG 1 66 TYR QD . . 4.380 2.970 2.681 3.225 . 0 0 "[ . 1 . 2]" 1
367 1 41 VAL HA 1 67 ILE H . . 4.330 3.469 3.293 3.582 . 0 0 "[ . 1 . 2]" 1
368 1 42 ILE H 1 68 PHE HA . . 3.780 2.536 2.191 2.909 . 0 0 "[ . 1 . 2]" 1
369 1 43 ALA HA 1 69 ILE H . . 3.830 3.330 3.033 3.592 . 0 0 "[ . 1 . 2]" 1
370 1 43 ALA MB 1 69 ILE QG . . 4.180 4.133 3.372 4.397 0.217 14 0 "[ . 1 . 2]" 1
371 1 44 GLY H 1 70 PRO HA . . 4.710 2.386 2.040 2.916 . 0 0 "[ . 1 . 2]" 1
372 1 39 LEU QD 1 66 TYR H . . 4.750 4.339 4.009 4.654 . 0 0 "[ . 1 . 2]" 1
373 1 39 LEU QD 1 66 TYR HA . . 4.810 3.409 2.963 3.819 . 0 0 "[ . 1 . 2]" 1
374 1 40 VAL HB 1 67 ILE H . . 4.670 2.955 2.861 3.191 . 0 0 "[ . 1 . 2]" 1
375 1 42 ILE H 1 69 ILE H . . 4.570 3.731 3.466 4.006 . 0 0 "[ . 1 . 2]" 1
376 1 43 ALA MB 1 71 SER H . . 4.250 3.920 3.317 4.206 . 0 0 "[ . 1 . 2]" 1
377 1 43 ALA H 1 75 LEU MD1 . . 4.380 3.594 2.459 4.464 0.084 11 0 "[ . 1 . 2]" 1
378 1 43 ALA H 1 75 LEU MD2 . . 4.380 3.824 3.085 4.411 0.031 9 0 "[ . 1 . 2]" 1
379 1 43 ALA MB 1 75 LEU MD1 . . 3.900 2.462 1.760 3.522 . 0 0 "[ . 1 . 2]" 1
380 1 43 ALA MB 1 75 LEU MD2 . . 3.900 2.767 1.856 3.824 . 0 0 "[ . 1 . 2]" 1
381 1 46 ILE HB 1 86 SER QB . . 4.180 2.165 1.960 2.632 . 0 0 "[ . 1 . 2]" 1
382 1 46 ILE MG 1 86 SER H . . 4.720 4.483 3.929 4.829 0.109 11 0 "[ . 1 . 2]" 1
383 1 46 ILE MG 1 86 SER QB . . 3.720 2.300 1.909 3.372 . 0 0 "[ . 1 . 2]" 1
384 1 46 ILE HB 1 86 SER HA . . 4.690 3.320 2.963 3.632 . 0 0 "[ . 1 . 2]" 1
385 1 46 ILE QG 1 86 SER HA . . 5.220 4.973 2.274 5.279 0.059 18 0 "[ . 1 . 2]" 1
386 1 46 ILE MG 1 86 SER HA . . 4.280 4.020 3.653 4.313 0.033 15 0 "[ . 1 . 2]" 1
387 1 47 SER H 1 86 SER QB . . 4.700 4.309 2.747 4.783 0.083 4 0 "[ . 1 . 2]" 1
388 1 43 ALA H 1 86 SER HA . . 4.240 3.020 2.703 3.212 . 0 0 "[ . 1 . 2]" 1
389 1 43 ALA MB 1 86 SER HA . . 3.580 1.987 1.880 2.179 . 0 0 "[ . 1 . 2]" 1
390 1 43 ALA H 1 87 VAL HA . . 4.460 4.105 3.933 4.183 . 0 0 "[ . 1 . 2]" 1
391 1 42 ILE MD 1 86 SER QB . . 5.500 4.524 4.129 5.343 . 0 0 "[ . 1 . 2]" 1
392 1 42 ILE MD 1 87 VAL HB . . 5.500 3.320 3.063 3.690 . 0 0 "[ . 1 . 2]" 1
393 1 42 ILE MD 1 87 VAL QG . . 4.150 2.016 1.738 2.453 . 0 0 "[ . 1 . 2]" 1
394 1 42 ILE MD 1 87 VAL H . . 5.500 4.464 4.232 4.690 . 0 0 "[ . 1 . 2]" 1
395 1 41 VAL H 1 88 VAL H . . 4.020 3.573 3.415 3.655 . 0 0 "[ . 1 . 2]" 1
396 1 41 VAL HB 1 88 VAL H . . 5.500 3.660 3.430 3.870 . 0 0 "[ . 1 . 2]" 1
397 1 40 VAL QG 1 88 VAL H . . 4.310 3.640 3.364 3.968 . 0 0 "[ . 1 . 2]" 1
398 1 41 VAL H 1 89 PHE HA . . 4.720 3.042 2.943 3.233 . 0 0 "[ . 1 . 2]" 1
399 1 41 VAL HB 1 89 PHE HA . . 5.500 5.270 4.582 5.584 0.084 13 0 "[ . 1 . 2]" 1
400 1 41 VAL QG 1 89 PHE HA . . 5.220 3.594 3.306 4.944 . 0 0 "[ . 1 . 2]" 1
401 1 67 ILE HB 1 115 VAL QG . . 4.560 4.150 3.935 4.412 . 0 0 "[ . 1 . 2]" 1
402 1 67 ILE H 1 115 VAL QG . . 4.830 5.171 5.097 5.259 0.429 13 0 "[ . 1 . 2]" 1
403 1 40 VAL HA 1 89 PHE HA . . 4.060 2.390 2.335 2.453 . 0 0 "[ . 1 . 2]" 1
404 1 40 VAL MG2 1 89 PHE HA . . 5.040 3.950 3.811 4.072 . 0 0 "[ . 1 . 2]" 1
405 1 40 VAL MG1 1 89 PHE HA . . 5.040 3.493 3.218 3.645 . 0 0 "[ . 1 . 2]" 1
406 1 40 VAL QG 1 89 PHE QB . . 4.850 3.653 3.544 3.748 . 0 0 "[ . 1 . 2]" 1
407 1 66 TYR H 1 115 VAL QG . . 4.930 4.769 4.618 4.894 . 0 0 "[ . 1 . 2]" 1
408 1 66 TYR HA 1 115 VAL QG . . 5.340 4.970 4.894 5.069 . 0 0 "[ . 1 . 2]" 1
409 1 39 LEU H 1 89 PHE HD1 . . 4.980 2.625 2.424 2.815 . 0 0 "[ . 1 . 2]" 1
410 1 39 LEU HB3 1 89 PHE HA . . 5.500 5.037 4.930 5.152 . 0 0 "[ . 1 . 2]" 1
411 1 40 VAL HA 1 90 ILE H . . 4.440 3.554 3.473 3.607 . 0 0 "[ . 1 . 2]" 1
412 1 40 VAL H 1 90 ILE HB . . 5.500 5.610 5.567 5.662 0.162 20 0 "[ . 1 . 2]" 1
413 1 40 VAL HA 1 90 ILE MD . . 4.920 4.978 4.927 5.023 0.103 15 0 "[ . 1 . 2]" 1
414 1 65 PRO HA 1 115 VAL QG . . 4.290 3.460 3.268 3.546 . 0 0 "[ . 1 . 2]" 1
415 1 65 PRO QB 1 115 VAL QG . . 4.430 1.774 1.748 1.813 . 0 0 "[ . 1 . 2]" 1
416 1 38 GLY H 1 89 PHE HD1 . . 5.240 2.531 2.456 2.703 . 0 0 "[ . 1 . 2]" 1
417 1 38 GLY HA3 1 89 PHE HD1 . . 5.180 4.198 4.086 4.254 . 0 0 "[ . 1 . 2]" 1
418 1 39 LEU H 1 90 ILE HB . . 5.010 2.522 2.412 2.623 . 0 0 "[ . 1 . 2]" 1
419 1 39 LEU H 1 90 ILE MD . . 5.040 4.616 4.564 4.720 . 0 0 "[ . 1 . 2]" 1
420 1 39 LEU HA 1 90 ILE HB . . 4.400 4.353 4.305 4.420 0.020 13 0 "[ . 1 . 2]" 1
421 1 39 LEU HB2 1 90 ILE HB . . 5.500 3.204 3.062 3.349 . 0 0 "[ . 1 . 2]" 1
422 1 39 LEU HB3 1 90 ILE HB . . 5.500 2.094 2.013 2.239 . 0 0 "[ . 1 . 2]" 1
423 1 39 LEU MD1 1 90 ILE HB . . 4.710 4.768 4.704 4.842 0.132 13 0 "[ . 1 . 2]" 1
424 1 39 LEU MD2 1 90 ILE HB . . 4.710 3.601 3.324 3.885 . 0 0 "[ . 1 . 2]" 1
425 1 39 LEU H 1 90 ILE H . . 4.350 2.608 2.446 2.720 . 0 0 "[ . 1 . 2]" 1
426 1 39 LEU QB 1 90 ILE H . . 4.390 3.225 3.114 3.349 . 0 0 "[ . 1 . 2]" 1
427 1 39 LEU QB 1 90 ILE MD . . 4.590 3.830 3.679 4.000 . 0 0 "[ . 1 . 2]" 1
428 1 39 LEU H 1 90 ILE MG . . 4.950 3.985 3.892 4.042 . 0 0 "[ . 1 . 2]" 1
429 1 38 GLY H 1 90 ILE HB . . 5.500 4.905 4.758 5.019 . 0 0 "[ . 1 . 2]" 1
430 1 38 GLY QA 1 90 ILE HB . . 5.340 3.434 3.364 3.564 . 0 0 "[ . 1 . 2]" 1
431 1 38 GLY QA 1 90 ILE MD . . 5.500 5.593 5.551 5.675 0.175 13 0 "[ . 1 . 2]" 1
432 1 38 GLY QA 1 90 ILE MG . . 5.110 3.789 3.686 3.870 . 0 0 "[ . 1 . 2]" 1
433 1 39 LEU H 1 91 VAL QG . . 5.500 4.002 3.803 4.186 . 0 0 "[ . 1 . 2]" 1
434 1 39 LEU H 1 91 VAL HA . . 5.040 4.290 4.098 4.460 . 0 0 "[ . 1 . 2]" 1
435 1 38 GLY H 1 91 VAL HA . . 4.310 4.256 4.056 4.371 0.061 16 0 "[ . 1 . 2]" 1
436 1 38 GLY QA 1 91 VAL HA . . 4.000 2.638 2.292 2.861 . 0 0 "[ . 1 . 2]" 1
437 1 38 GLY QA 1 91 VAL HB . . 5.340 4.741 4.396 5.124 . 0 0 "[ . 1 . 2]" 1
438 1 38 GLY QA 1 91 VAL QG . . 6.090 3.436 3.273 3.556 . 0 0 "[ . 1 . 2]" 1
439 1 66 TYR H 1 119 GLN QG . . 4.350 3.794 3.373 4.535 0.185 12 0 "[ . 1 . 2]" 1
440 1 37 LYS HA 1 91 VAL HA . . 4.070 4.192 4.148 4.257 0.187 2 0 "[ . 1 . 2]" 1
441 1 37 LYS QB 1 91 VAL QG . . 4.840 3.711 3.463 3.903 . 0 0 "[ . 1 . 2]" 1
442 1 37 LYS QG 1 91 VAL QG . . 4.550 4.584 4.516 4.640 0.090 6 0 "[ . 1 . 2]" 1
443 1 21 VAL QG 1 78 ALA MB . . 3.400 3.447 3.224 3.544 0.144 11 0 "[ . 1 . 2]" 1
444 1 21 VAL QG 1 79 GLY QA . . 4.880 2.860 2.164 3.622 . 0 0 "[ . 1 . 2]" 1
445 1 31 ALA MB 1 91 VAL QG . . 4.540 2.466 2.053 2.759 . 0 0 "[ . 1 . 2]" 1
446 1 25 VAL HA 1 87 VAL HB . . 3.760 3.834 3.696 3.909 0.149 10 0 "[ . 1 . 2]" 1
447 1 25 VAL HB 1 87 VAL HB . . 5.500 5.106 4.666 5.587 0.087 9 0 "[ . 1 . 2]" 1
448 1 24 GLY H 1 88 VAL QG . . 4.600 3.045 2.609 3.925 . 0 0 "[ . 1 . 2]" 1
449 1 24 GLY H 1 88 VAL HB . . 5.500 5.243 3.449 5.588 0.088 17 0 "[ . 1 . 2]" 1
450 1 23 ARG QB 1 88 VAL HA . . 4.790 3.394 2.917 3.917 . 0 0 "[ . 1 . 2]" 1
451 1 23 ARG HA 1 88 VAL QG . . 3.580 1.976 1.888 2.376 . 0 0 "[ . 1 . 2]" 1
452 1 23 ARG H 1 88 VAL HA . . 4.560 4.745 4.692 4.869 0.309 18 0 "[ . 1 . 2]" 1
453 1 23 ARG QG 1 88 VAL HA . . 4.700 3.971 3.513 4.778 0.078 13 0 "[ . 1 . 2]" 1
454 1 23 ARG QG 1 88 VAL QG . . 3.230 1.922 1.646 2.748 . 0 0 "[ . 1 . 2]" 1
455 1 23 ARG QD 1 88 VAL QG . . 3.810 3.257 2.360 3.899 0.089 13 0 "[ . 1 . 2]" 1
456 1 13 LYS QB 1 78 ALA HA . . 4.740 3.362 2.621 4.154 . 0 0 "[ . 1 . 2]" 1
457 1 13 LYS HA 1 78 ALA MB . . 4.300 3.156 2.112 3.587 . 0 0 "[ . 1 . 2]" 1
458 1 13 LYS H 1 78 ALA MB . . 3.970 3.503 2.894 3.988 0.018 20 0 "[ . 1 . 2]" 1
459 1 13 LYS QG 1 78 ALA H . . 5.160 4.927 3.595 5.257 0.097 9 0 "[ . 1 . 2]" 1
460 1 13 LYS QG 1 78 ALA HA . . 4.420 3.315 2.096 4.034 . 0 0 "[ . 1 . 2]" 1
461 1 24 GLY H 1 89 PHE H . . 5.500 4.622 3.784 4.958 . 0 0 "[ . 1 . 2]" 1
462 1 12 VAL QG 1 78 ALA H . . 4.950 4.185 4.058 4.310 . 0 0 "[ . 1 . 2]" 1
463 1 12 VAL HB 1 78 ALA MB . . 3.880 3.879 3.717 3.971 0.091 4 0 "[ . 1 . 2]" 1
464 1 12 VAL MG2 1 78 ALA MB . . 3.700 1.954 1.827 2.178 . 0 0 "[ . 1 . 2]" 1
465 1 12 VAL MG1 1 78 ALA MB . . 3.670 1.846 1.765 1.951 . 0 0 "[ . 1 . 2]" 1
466 1 12 VAL QG 1 78 ALA HA . . 3.900 3.098 2.915 3.578 . 0 0 "[ . 1 . 2]" 1
467 1 23 ARG HA 1 89 PHE H . . 4.950 2.914 2.478 3.207 . 0 0 "[ . 1 . 2]" 1
468 1 23 ARG QG 1 89 PHE H . . 5.340 4.376 3.893 5.396 0.056 13 0 "[ . 1 . 2]" 1
469 1 22 LYS H 1 89 PHE H . . 3.970 3.456 3.205 3.939 . 0 0 "[ . 1 . 2]" 1
470 1 21 VAL HA 1 90 ILE HA . . 4.190 2.056 1.953 2.246 . 0 0 "[ . 1 . 2]" 1
471 1 21 VAL HB 1 90 ILE HB . . 5.290 5.402 5.322 5.565 0.275 20 0 "[ . 1 . 2]" 1
472 1 21 VAL QG 1 90 ILE MD . . 3.790 1.907 1.796 2.042 . 0 0 "[ . 1 . 2]" 1
473 1 22 LYS QD 1 91 VAL QG . . 5.350 2.869 1.902 3.553 . 0 0 "[ . 1 . 2]" 1
474 1 21 VAL HA 1 91 VAL H . . 4.670 2.744 2.365 2.959 . 0 0 "[ . 1 . 2]" 1
475 1 20 ASN QB 1 91 VAL H . . 4.380 3.764 3.306 4.154 . 0 0 "[ . 1 . 2]" 1
476 1 20 ASN HA 1 91 VAL MG2 . . 5.500 2.937 2.775 3.135 . 0 0 "[ . 1 . 2]" 1
477 1 20 ASN HA 1 91 VAL MG1 . . 5.500 5.518 5.438 5.580 0.080 9 0 "[ . 1 . 2]" 1
478 1 20 ASN HA 1 91 VAL HB . . 5.500 5.416 4.962 5.572 0.072 20 0 "[ . 1 . 2]" 1
479 1 20 ASN QB 1 91 VAL HA . . 5.240 5.273 4.965 5.462 0.222 17 0 "[ . 1 . 2]" 1
480 1 20 ASN QB 1 91 VAL QG . . 4.240 3.615 3.321 4.014 . 0 0 "[ . 1 . 2]" 1
481 1 20 ASN QB 1 92 PRO HA . . 4.770 3.301 2.247 3.939 . 0 0 "[ . 1 . 2]" 1
482 1 39 LEU HB2 1 111 PHE QD . . 5.500 4.394 4.046 4.586 . 0 0 "[ . 1 . 2]" 1
483 1 39 LEU HB3 1 111 PHE QD . . 5.500 4.817 4.343 4.992 . 0 0 "[ . 1 . 2]" 1
484 1 39 LEU MD2 1 111 PHE QD . . 5.500 3.418 3.036 3.702 . 0 0 "[ . 1 . 2]" 1
485 1 39 LEU MD1 1 111 PHE QD . . 5.500 4.796 4.432 5.108 . 0 0 "[ . 1 . 2]" 1
486 1 20 ASN QB 1 93 GLY H . . 4.150 3.456 1.955 4.203 0.053 12 0 "[ . 1 . 2]" 1
487 1 12 VAL HA 1 90 ILE QG . . 4.180 3.996 3.374 4.194 0.014 17 0 "[ . 1 . 2]" 1
488 1 12 VAL HA 1 90 ILE MD . . 5.000 3.662 3.226 3.800 . 0 0 "[ . 1 . 2]" 1
489 1 12 VAL QG 1 90 ILE MD . . 3.720 1.792 1.701 1.902 . 0 0 "[ . 1 . 2]" 1
490 1 15 ALA H 1 103 LYS QG . . 5.290 5.196 4.664 5.438 0.148 8 0 "[ . 1 . 2]" 1
491 1 15 ALA MB 1 103 LYS QG . . 4.490 4.614 4.528 4.699 0.209 20 0 "[ . 1 . 2]" 1
492 1 15 ALA H 1 107 TYR QD . . 4.050 3.729 3.164 4.093 0.043 19 0 "[ . 1 . 2]" 1
493 1 14 LYS H 1 107 TYR QD . . 5.260 4.966 4.430 5.444 0.184 5 0 "[ . 1 . 2]" 1
494 1 14 LYS QB 1 107 TYR QB . . 5.290 3.452 2.853 4.706 . 0 0 "[ . 1 . 2]" 1
495 1 11 THR HA 1 107 TYR QB . . 5.340 4.345 3.186 4.976 . 0 0 "[ . 1 . 2]" 1
496 1 11 THR MG 1 107 TYR QB . . 4.430 3.472 2.750 3.832 . 0 0 "[ . 1 . 2]" 1
497 1 11 THR MG 1 108 LYS HA . . 4.020 4.100 3.782 4.259 0.239 16 0 "[ . 1 . 2]" 1
498 1 11 THR H 1 111 PHE QD . . 5.420 5.126 4.544 5.715 0.295 12 0 "[ . 1 . 2]" 1
499 1 11 THR MG 1 111 PHE HA . . 3.880 2.298 2.046 2.458 . 0 0 "[ . 1 . 2]" 1
500 1 11 THR MG 1 111 PHE HB3 . . 4.580 3.285 3.237 3.427 . 0 0 "[ . 1 . 2]" 1
501 1 11 THR MG 1 111 PHE HB2 . . 4.580 1.904 1.846 2.053 . 0 0 "[ . 1 . 2]" 1
502 1 11 THR MG 1 111 PHE QD . . 3.720 2.030 1.862 2.159 . 0 0 "[ . 1 . 2]" 1
503 1 40 VAL H 1 67 ILE H . . 5.000 3.269 3.186 3.405 . 0 0 "[ . 1 . 2]" 1
504 1 42 ILE HA 1 87 VAL HA . . 4.000 2.887 2.506 3.093 . 0 0 "[ . 1 . 2]" 1
505 1 22 LYS H 1 90 ILE HA . . 5.000 2.726 2.520 2.839 . 0 0 "[ . 1 . 2]" 1
506 1 24 GLY H 1 88 VAL HA . . 5.000 2.931 2.490 3.127 . 0 0 "[ . 1 . 2]" 1
507 1 41 VAL MG1 1 90 ILE H . . 5.500 5.719 5.669 5.808 0.308 12 0 "[ . 1 . 2]" 1
508 1 5 ASN QB 1 69 ILE MD . . 5.500 5.489 4.693 5.579 0.079 18 0 "[ . 1 . 2]" 1
509 1 8 VAL HB 1 69 ILE MD . . 5.500 5.371 4.759 5.538 0.038 6 0 "[ . 1 . 2]" 1
510 1 8 VAL HB 1 114 VAL MG2 . . 5.500 4.559 4.063 4.907 . 0 0 "[ . 1 . 2]" 1
511 1 8 VAL H 1 114 VAL QG . . 5.500 3.067 2.734 3.561 . 0 0 "[ . 1 . 2]" 1
512 1 11 THR MG 1 114 VAL QG . . 5.500 3.358 3.281 3.471 . 0 0 "[ . 1 . 2]" 1
513 1 15 ALA MB 1 90 ILE MG . . 5.500 3.222 2.856 3.549 . 0 0 "[ . 1 . 2]" 1
514 1 13 LYS QB 1 78 ALA MB . . 5.500 3.196 2.016 4.130 . 0 0 "[ . 1 . 2]" 1
515 1 31 ALA MB 1 89 PHE QB . . 5.500 2.541 2.404 2.836 . 0 0 "[ . 1 . 2]" 1
516 1 43 ALA H 1 86 SER QB . . 5.500 3.518 3.099 4.226 . 0 0 "[ . 1 . 2]" 1
517 1 65 PRO HA 1 118 VAL MG2 . . 5.500 5.567 5.418 5.645 0.145 13 0 "[ . 1 . 2]" 1
518 1 66 TYR H 1 118 VAL MG1 . . 5.500 3.745 3.067 4.449 . 0 0 "[ . 1 . 2]" 1
519 1 67 ILE H 1 118 VAL MG2 . . 5.500 4.503 4.149 5.186 . 0 0 "[ . 1 . 2]" 1
520 1 67 ILE HB 1 118 VAL MG2 . . 5.500 2.459 2.079 2.777 . 0 0 "[ . 1 . 2]" 1
521 1 67 ILE MD 1 118 VAL MG2 . . 5.500 3.386 3.254 3.565 . 0 0 "[ . 1 . 2]" 1
522 1 75 LEU QD 1 87 VAL H . . 5.500 4.044 2.825 4.657 . 0 0 "[ . 1 . 2]" 1
523 1 75 LEU QD 1 87 VAL HA . . 5.500 4.249 3.701 4.999 . 0 0 "[ . 1 . 2]" 1
524 1 76 GLY H 1 85 THR H . . 5.500 5.150 3.994 5.515 0.015 16 0 "[ . 1 . 2]" 1
525 1 39 LEU MD1 1 67 ILE MD . . 5.500 4.060 3.856 4.404 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU MD1 1 67 ILE QG . . 5.500 3.709 3.445 4.156 . 0 0 "[ . 1 . 2]" 1
527 1 23 ARG H 1 85 THR MG . . 5.500 5.249 4.858 5.531 0.031 14 0 "[ . 1 . 2]" 1
528 1 23 ARG HA 1 85 THR MG . . 5.500 3.892 3.144 4.144 . 0 0 "[ . 1 . 2]" 1
529 1 23 ARG QB 1 85 THR MG . . 5.500 2.359 1.862 3.003 . 0 0 "[ . 1 . 2]" 1
530 1 24 GLY H 1 85 THR MG . . 5.500 2.796 2.121 4.228 . 0 0 "[ . 1 . 2]" 1
531 1 3 LYS H 1 3 LYS QB . . 3.540 2.468 2.303 2.642 . 0 0 "[ . 1 . 2]" 1
532 1 3 LYS HA 1 3 LYS QG . . 3.970 3.351 3.331 3.434 . 0 0 "[ . 1 . 2]" 1
533 1 4 LEU H 1 4 LEU QB . . 3.690 2.158 2.097 2.229 . 0 0 "[ . 1 . 2]" 1
534 1 4 LEU H 1 4 LEU MD1 . . 4.970 3.788 3.509 4.272 . 0 0 "[ . 1 . 2]" 1
535 1 4 LEU H 1 4 LEU MD2 . . 4.970 4.226 4.000 4.343 . 0 0 "[ . 1 . 2]" 1
536 1 4 LEU HA 1 4 LEU HG . . 3.050 2.659 2.480 2.892 . 0 0 "[ . 1 . 2]" 1
537 1 4 LEU HA 1 4 LEU QD . . 3.250 2.446 2.064 3.143 . 0 0 "[ . 1 . 2]" 1
538 1 4 LEU H 1 4 LEU HG . . 5.500 4.492 4.443 4.573 . 0 0 "[ . 1 . 2]" 1
539 1 6 LYS H 1 6 LYS QB . . 3.440 2.357 2.119 2.555 . 0 0 "[ . 1 . 2]" 1
540 1 7 LYS H 1 7 LYS QB . . 3.860 2.351 2.185 2.529 . 0 0 "[ . 1 . 2]" 1
541 1 8 VAL H 1 8 VAL HB . . 3.970 2.605 2.514 2.706 . 0 0 "[ . 1 . 2]" 1
542 1 8 VAL H 1 8 VAL QG . . 3.720 2.111 2.014 2.199 . 0 0 "[ . 1 . 2]" 1
543 1 9 LEU H 1 9 LEU MD1 . . 5.500 3.955 3.338 4.215 . 0 0 "[ . 1 . 2]" 1
544 1 9 LEU H 1 9 LEU MD2 . . 5.500 3.199 2.904 3.383 . 0 0 "[ . 1 . 2]" 1
545 1 10 LYS H 1 10 LYS QB . . 3.280 2.239 2.054 2.503 . 0 0 "[ . 1 . 2]" 1
546 1 10 LYS H 1 10 LYS QG . . 3.880 2.899 2.052 3.912 0.032 7 0 "[ . 1 . 2]" 1
547 1 11 THR HA 1 11 THR MG . . 3.700 2.150 2.083 2.275 . 0 0 "[ . 1 . 2]" 1
548 1 12 VAL H 1 12 VAL QG . . 3.520 1.953 1.874 2.153 . 0 0 "[ . 1 . 2]" 1
549 1 12 VAL H 1 12 VAL HB . . 3.960 2.596 2.482 2.687 . 0 0 "[ . 1 . 2]" 1
550 1 12 VAL HA 1 12 VAL QG . . 2.770 2.292 2.221 2.338 . 0 0 "[ . 1 . 2]" 1
551 1 13 LYS H 1 13 LYS QG . . 4.150 3.897 3.041 4.036 . 0 0 "[ . 1 . 2]" 1
552 1 13 LYS H 1 13 LYS QB . . 3.550 2.230 2.080 2.260 . 0 0 "[ . 1 . 2]" 1
553 1 13 LYS HA 1 13 LYS QG . . 3.920 2.527 2.276 3.022 . 0 0 "[ . 1 . 2]" 1
554 1 15 ALA H 1 15 ALA MB . . 3.400 2.114 2.030 2.257 . 0 0 "[ . 1 . 2]" 1
555 1 16 SER H 1 16 SER QB . . 3.580 2.175 2.050 2.259 . 0 0 "[ . 1 . 2]" 1
556 1 17 LYS H 1 17 LYS QB . . 3.540 2.259 2.104 2.403 . 0 0 "[ . 1 . 2]" 1
557 1 17 LYS H 1 17 LYS QG . . 3.980 3.367 2.457 4.023 0.043 12 0 "[ . 1 . 2]" 1
558 1 18 ALA H 1 18 ALA MB . . 3.580 2.221 2.111 2.337 . 0 0 "[ . 1 . 2]" 1
559 1 19 LYS H 1 19 LYS QG . . 4.300 4.002 3.036 4.151 . 0 0 "[ . 1 . 2]" 1
560 1 20 ASN H 1 20 ASN HB2 . . 4.210 2.975 2.290 3.649 . 0 0 "[ . 1 . 2]" 1
561 1 20 ASN H 1 20 ASN HB3 . . 4.210 3.081 2.219 3.769 . 0 0 "[ . 1 . 2]" 1
562 1 21 VAL HA 1 21 VAL QG . . 3.330 2.374 2.309 2.433 . 0 0 "[ . 1 . 2]" 1
563 1 21 VAL H 1 21 VAL HB . . 3.950 3.306 2.852 3.803 . 0 0 "[ . 1 . 2]" 1
564 1 22 LYS H 1 22 LYS QG . . 4.140 2.654 2.527 2.852 . 0 0 "[ . 1 . 2]" 1
565 1 22 LYS HA 1 22 LYS QD . . 4.070 2.970 2.056 4.071 0.001 13 0 "[ . 1 . 2]" 1
566 1 22 LYS H 1 22 LYS QD . . 5.500 4.068 3.570 4.659 . 0 0 "[ . 1 . 2]" 1
567 1 23 ARG H 1 23 ARG QB . . 3.670 2.762 2.579 3.029 . 0 0 "[ . 1 . 2]" 1
568 1 23 ARG QB 1 23 ARG QD . . 3.240 2.348 2.083 2.544 . 0 0 "[ . 1 . 2]" 1
569 1 23 ARG HA 1 23 ARG QG . . 3.980 2.767 2.505 3.339 . 0 0 "[ . 1 . 2]" 1
570 1 23 ARG HA 1 23 ARG QD . . 4.070 3.925 3.608 4.343 0.273 15 0 "[ . 1 . 2]" 1
571 1 25 VAL H 1 25 VAL QG . . 3.610 1.936 1.816 2.062 . 0 0 "[ . 1 . 2]" 1
572 1 26 LYS H 1 26 LYS QB . . 3.570 2.105 2.038 2.231 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL H 1 28 VAL QG . . 3.510 2.268 1.773 2.606 . 0 0 "[ . 1 . 2]" 1
574 1 28 VAL H 1 28 VAL HB . . 3.930 2.736 2.276 3.615 . 0 0 "[ . 1 . 2]" 1
575 1 29 VAL H 1 29 VAL QG . . 3.820 2.084 1.939 2.379 . 0 0 "[ . 1 . 2]" 1
576 1 29 VAL H 1 29 VAL HB . . 3.910 2.536 2.426 2.601 . 0 0 "[ . 1 . 2]" 1
577 1 29 VAL HA 1 29 VAL QG . . 3.310 2.174 2.064 2.264 . 0 0 "[ . 1 . 2]" 1
578 1 30 LYS H 1 30 LYS QB . . 3.360 2.230 2.085 2.456 . 0 0 "[ . 1 . 2]" 1
579 1 31 ALA H 1 31 ALA MB . . 3.050 2.206 2.112 2.240 . 0 0 "[ . 1 . 2]" 1
580 1 31 ALA H 1 31 ALA HA . . 3.000 2.827 2.776 2.843 . 0 0 "[ . 1 . 2]" 1
581 1 32 LEU H 1 32 LEU HB2 . . 3.770 3.577 3.560 3.597 . 0 0 "[ . 1 . 2]" 1
582 1 32 LEU H 1 32 LEU HB3 . . 3.770 2.324 2.285 2.372 . 0 0 "[ . 1 . 2]" 1
583 1 32 LEU H 1 32 LEU HG . . 5.500 2.860 2.743 2.947 . 0 0 "[ . 1 . 2]" 1
584 1 33 ARG HA 1 33 ARG QD . . 4.800 3.909 2.393 4.153 . 0 0 "[ . 1 . 2]" 1
585 1 33 ARG QB 1 33 ARG QD . . 3.420 2.175 2.093 2.342 . 0 0 "[ . 1 . 2]" 1
586 1 33 ARG H 1 33 ARG QB . . 3.200 2.250 2.078 2.303 . 0 0 "[ . 1 . 2]" 1
587 1 34 LYS H 1 34 LYS QB . . 3.470 2.299 2.092 2.664 . 0 0 "[ . 1 . 2]" 1
588 1 34 LYS HA 1 34 LYS QB . . 2.730 2.425 2.181 2.525 . 0 0 "[ . 1 . 2]" 1
589 1 36 GLU H 1 36 GLU QB . . 3.520 2.574 2.328 2.802 . 0 0 "[ . 1 . 2]" 1
590 1 36 GLU H 1 36 GLU QG . . 3.910 2.220 1.876 2.621 . 0 0 "[ . 1 . 2]" 1
591 1 37 LYS H 1 37 LYS QB . . 3.430 3.011 2.479 3.116 . 0 0 "[ . 1 . 2]" 1
592 1 37 LYS H 1 37 LYS QG . . 3.910 2.274 1.971 3.521 . 0 0 "[ . 1 . 2]" 1
593 1 37 LYS HA 1 37 LYS QG . . 3.930 3.393 3.345 3.431 . 0 0 "[ . 1 . 2]" 1
594 1 39 LEU H 1 39 LEU HG . . 5.230 4.581 4.491 4.683 . 0 0 "[ . 1 . 2]" 1
595 1 39 LEU H 1 39 LEU QB . . 3.420 2.725 2.690 2.769 . 0 0 "[ . 1 . 2]" 1
596 1 39 LEU HA 1 39 LEU QD . . 3.600 2.255 1.935 2.547 . 0 0 "[ . 1 . 2]" 1
597 1 39 LEU H 1 39 LEU MD1 . . 5.330 4.423 4.265 4.580 . 0 0 "[ . 1 . 2]" 1
598 1 39 LEU H 1 39 LEU MD2 . . 5.330 4.633 4.461 4.775 . 0 0 "[ . 1 . 2]" 1
599 1 40 VAL H 1 40 VAL HB . . 4.070 2.877 2.839 2.961 . 0 0 "[ . 1 . 2]" 1
600 1 40 VAL H 1 40 VAL QG . . 4.250 2.017 1.954 2.057 . 0 0 "[ . 1 . 2]" 1
601 1 41 VAL H 1 41 VAL MG1 . . 4.220 3.725 3.310 3.775 . 0 0 "[ . 1 . 2]" 1
602 1 41 VAL H 1 41 VAL MG2 . . 4.220 2.056 1.861 3.309 . 0 0 "[ . 1 . 2]" 1
603 1 42 ILE H 1 42 ILE MG . . 4.700 3.841 3.574 3.895 . 0 0 "[ . 1 . 2]" 1
604 1 42 ILE QG 1 42 ILE MG . . 3.270 2.239 2.121 2.331 . 0 0 "[ . 1 . 2]" 1
605 1 46 ILE H 1 46 ILE MG . . 4.790 3.929 3.792 3.973 . 0 0 "[ . 1 . 2]" 1
606 1 46 ILE H 1 46 ILE QG . . 4.740 3.093 2.009 3.350 . 0 0 "[ . 1 . 2]" 1
607 1 46 ILE H 1 46 ILE HB . . 4.190 2.890 2.714 3.438 . 0 0 "[ . 1 . 2]" 1
608 1 52 ILE H 1 52 ILE QG . . 4.550 2.431 1.952 4.110 . 0 0 "[ . 1 . 2]" 1
609 1 57 VAL H 1 57 VAL HB . . 4.120 2.397 2.275 2.516 . 0 0 "[ . 1 . 2]" 1
610 1 57 VAL H 1 57 VAL MG1 . . 4.500 3.733 3.664 3.767 . 0 0 "[ . 1 . 2]" 1
611 1 57 VAL H 1 57 VAL MG2 . . 4.500 2.391 2.167 2.631 . 0 0 "[ . 1 . 2]" 1
612 1 58 LEU H 1 58 LEU QB . . 3.750 2.220 2.121 2.310 . 0 0 "[ . 1 . 2]" 1
613 1 58 LEU H 1 58 LEU QD . . 4.410 3.068 2.787 3.266 . 0 0 "[ . 1 . 2]" 1
614 1 58 LEU HA 1 58 LEU QD . . 3.950 3.248 3.101 3.374 . 0 0 "[ . 1 . 2]" 1
615 1 58 LEU H 1 58 LEU HG . . 3.380 2.898 2.646 3.142 . 0 0 "[ . 1 . 2]" 1
616 1 63 SER H 1 63 SER QB . . 3.770 3.382 2.897 3.492 . 0 0 "[ . 1 . 2]" 1
617 1 64 VAL H 1 64 VAL MG1 . . 4.740 3.128 3.079 3.293 . 0 0 "[ . 1 . 2]" 1
618 1 64 VAL H 1 64 VAL MG2 . . 4.740 3.541 3.260 3.726 . 0 0 "[ . 1 . 2]" 1
619 1 64 VAL H 1 64 VAL HB . . 3.950 2.307 2.096 2.559 . 0 0 "[ . 1 . 2]" 1
620 1 66 TYR H 1 66 TYR QE . . 5.310 5.439 5.344 5.526 0.216 11 0 "[ . 1 . 2]" 1
621 1 66 TYR H 1 66 TYR QD . . 4.260 3.332 3.289 3.390 . 0 0 "[ . 1 . 2]" 1
622 1 66 TYR HA 1 66 TYR QE . . 5.280 5.230 5.203 5.269 . 0 0 "[ . 1 . 2]" 1
623 1 67 ILE H 1 67 ILE MD . . 4.200 4.115 4.044 4.203 0.003 7 0 "[ . 1 . 2]" 1
624 1 67 ILE H 1 67 ILE MG . . 4.090 2.185 2.159 2.238 . 0 0 "[ . 1 . 2]" 1
625 1 68 PHE H 1 68 PHE QD . . 5.500 2.676 1.986 4.169 . 0 0 "[ . 1 . 2]" 1
626 1 69 ILE H 1 69 ILE MD . . 5.230 3.627 1.852 3.892 . 0 0 "[ . 1 . 2]" 1
627 1 69 ILE HB 1 69 ILE MD . . 3.720 2.236 1.998 3.227 . 0 0 "[ . 1 . 2]" 1
628 1 69 ILE HA 1 69 ILE MD . . 4.420 3.986 3.480 4.075 . 0 0 "[ . 1 . 2]" 1
629 1 75 LEU HA 1 75 LEU MD1 . . 4.530 3.020 1.941 3.931 . 0 0 "[ . 1 . 2]" 1
630 1 75 LEU HA 1 75 LEU MD2 . . 4.530 2.583 1.901 3.941 . 0 0 "[ . 1 . 2]" 1
631 1 85 THR H 1 85 THR MG . . 3.920 3.449 2.242 3.986 0.066 16 0 "[ . 1 . 2]" 1
632 1 88 VAL H 1 88 VAL MG1 . . 4.430 3.698 2.010 3.975 . 0 0 "[ . 1 . 2]" 1
633 1 88 VAL H 1 88 VAL MG2 . . 4.430 2.951 2.470 3.882 . 0 0 "[ . 1 . 2]" 1
634 1 89 PHE HA 1 89 PHE HD1 . . 4.190 2.707 2.571 2.800 . 0 0 "[ . 1 . 2]" 1
635 1 90 ILE H 1 90 ILE MD . . 4.000 2.723 2.555 2.962 . 0 0 "[ . 1 . 2]" 1
636 1 90 ILE H 1 90 ILE MG . . 4.240 3.780 3.766 3.802 . 0 0 "[ . 1 . 2]" 1
637 1 90 ILE HA 1 90 ILE MG . . 3.660 2.167 2.137 2.213 . 0 0 "[ . 1 . 2]" 1
638 1 90 ILE HA 1 90 ILE QG . . 3.100 3.134 3.108 3.160 0.060 12 0 "[ . 1 . 2]" 1
639 1 91 VAL H 1 91 VAL HB . . 4.190 3.880 3.764 3.940 . 0 0 "[ . 1 . 2]" 1
640 1 91 VAL H 1 91 VAL MG2 . . 4.570 2.343 2.121 2.449 . 0 0 "[ . 1 . 2]" 1
641 1 91 VAL H 1 91 VAL MG1 . . 4.570 3.044 2.932 3.313 . 0 0 "[ . 1 . 2]" 1
642 1 95 ASN H 1 95 ASN QB . . 3.520 2.421 2.138 2.800 . 0 0 "[ . 1 . 2]" 1
643 1 102 ASN HA 1 102 ASN QD . . 3.180 2.137 1.938 2.435 . 0 0 "[ . 1 . 2]" 1
644 1 107 TYR HA 1 107 TYR QD . . 4.230 2.734 2.408 3.447 . 0 0 "[ . 1 . 2]" 1
645 1 107 TYR H 1 107 TYR QD . . 5.500 3.844 2.026 4.156 . 0 0 "[ . 1 . 2]" 1
646 1 108 LYS HA 1 108 LYS QG . . 4.000 2.560 2.225 3.163 . 0 0 "[ . 1 . 2]" 1
647 1 111 PHE H 1 111 PHE QB . . 3.900 2.182 2.113 2.256 . 0 0 "[ . 1 . 2]" 1
648 1 113 GLU H 1 113 GLU QB . . 3.140 2.232 2.135 2.345 . 0 0 "[ . 1 . 2]" 1
649 1 114 VAL H 1 114 VAL QG . . 2.550 1.870 1.800 1.951 . 0 0 "[ . 1 . 2]" 1
650 1 114 VAL H 1 114 VAL HB . . 3.960 3.612 3.605 3.621 . 0 0 "[ . 1 . 2]" 1
651 1 115 VAL HA 1 115 VAL MG1 . . 3.400 2.337 2.270 2.432 . 0 0 "[ . 1 . 2]" 1
652 1 115 VAL HA 1 115 VAL MG2 . . 3.400 2.318 2.233 2.397 . 0 0 "[ . 1 . 2]" 1
653 1 115 VAL H 1 115 VAL HB . . 3.920 2.510 2.392 2.597 . 0 0 "[ . 1 . 2]" 1
654 1 115 VAL H 1 115 VAL QG . . 3.730 2.302 2.101 2.474 . 0 0 "[ . 1 . 2]" 1
655 1 117 GLU H 1 117 GLU QB . . 3.720 2.269 2.105 2.524 . 0 0 "[ . 1 . 2]" 1
656 1 117 GLU H 1 117 GLU QG . . 4.230 3.477 2.072 4.053 . 0 0 "[ . 1 . 2]" 1
657 1 118 VAL H 1 118 VAL QG . . 3.560 2.312 2.054 2.735 . 0 0 "[ . 1 . 2]" 1
658 1 118 VAL H 1 118 VAL HB . . 3.930 2.449 2.177 2.688 . 0 0 "[ . 1 . 2]" 1
659 1 121 LEU H 1 121 LEU QD . . 4.520 3.128 2.259 3.657 . 0 0 "[ . 1 . 2]" 1
660 1 121 LEU H 1 121 LEU HG . . 5.200 2.719 2.444 3.076 . 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 116
_Distance_constraint_stats_list.Viol_count 2051
_Distance_constraint_stats_list.Viol_total 8219.942
_Distance_constraint_stats_list.Viol_max 0.588
_Distance_constraint_stats_list.Viol_rms 0.1176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1772
_Distance_constraint_stats_list.Viol_average_violations_only 0.2004
_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 3 LYS 9.305 0.299 6 0 "[ . 1 . 2]"
1 4 LEU 7.376 0.289 18 0 "[ . 1 . 2]"
1 5 ASN 4.873 0.292 3 0 "[ . 1 . 2]"
1 6 LYS 9.211 0.308 14 0 "[ . 1 . 2]"
1 7 LYS 18.172 0.299 6 0 "[ . 1 . 2]"
1 8 VAL 17.187 0.335 17 0 "[ . 1 . 2]"
1 9 LEU 10.261 0.292 3 0 "[ . 1 . 2]"
1 10 LYS 17.449 0.308 14 0 "[ . 1 . 2]"
1 11 THR 19.473 0.363 17 0 "[ . 1 . 2]"
1 12 VAL 14.503 0.335 17 0 "[ . 1 . 2]"
1 13 LYS 5.388 0.262 20 0 "[ . 1 . 2]"
1 14 LYS 8.238 0.292 4 0 "[ . 1 . 2]"
1 15 ALA 10.606 0.363 17 0 "[ . 1 . 2]"
1 16 SER 4.691 0.260 7 0 "[ . 1 . 2]"
1 20 ASN 0.224 0.082 19 0 "[ . 1 . 2]"
1 22 LYS 12.017 0.341 18 0 "[ . 1 . 2]"
1 24 GLY 11.538 0.384 6 0 "[ . 1 . 2]"
1 25 VAL 11.244 0.331 10 0 "[ . 1 . 2]"
1 26 LYS 9.917 0.357 10 0 "[ . 1 . 2]"
1 27 GLU 3.332 0.233 10 0 "[ . 1 . 2]"
1 28 VAL 23.145 0.384 6 0 "[ . 1 . 2]"
1 29 VAL 16.719 0.331 10 0 "[ . 1 . 2]"
1 30 LYS 11.593 0.357 10 0 "[ . 1 . 2]"
1 31 ALA 3.332 0.233 10 0 "[ . 1 . 2]"
1 32 LEU 11.607 0.336 14 0 "[ . 1 . 2]"
1 33 ARG 5.476 0.261 14 0 "[ . 1 . 2]"
1 34 LYS 1.676 0.292 9 0 "[ . 1 . 2]"
1 39 LEU 14.058 0.449 9 0 "[ . 1 . 2]"
1 40 VAL 4.085 0.166 19 0 "[ . 1 . 2]"
1 41 VAL 12.479 0.317 10 0 "[ . 1 . 2]"
1 42 ILE 14.082 0.347 6 0 "[ . 1 . 2]"
1 43 ALA 10.922 0.328 14 0 "[ . 1 . 2]"
1 50 ASP 7.884 0.414 8 0 "[ . 1 . 2]"
1 51 VAL 6.839 0.280 3 0 "[ . 1 . 2]"
1 54 HIS 8.791 0.414 8 0 "[ . 1 . 2]"
1 55 ILE 19.419 0.376 5 0 "[ . 1 . 2]"
1 56 PRO 8.147 0.233 8 0 "[ . 1 . 2]"
1 57 VAL 6.778 0.312 10 0 "[ . 1 . 2]"
1 58 LEU 11.493 0.307 15 0 "[ . 1 . 2]"
1 59 CYS 23.811 0.588 5 19 [****+********-.*****]
1 60 GLU 8.147 0.233 8 0 "[ . 1 . 2]"
1 61 ASP 6.778 0.312 10 0 "[ . 1 . 2]"
1 62 HIS 10.586 0.307 15 0 "[ . 1 . 2]"
1 63 SER 11.231 0.588 5 19 [****+********-.*****]
1 65 PRO 3.826 0.166 19 0 "[ . 1 . 2]"
1 67 ILE 9.019 0.347 6 0 "[ . 1 . 2]"
1 69 ILE 5.322 0.255 15 0 "[ . 1 . 2]"
1 71 SER 9.827 0.346 19 0 "[ . 1 . 2]"
1 72 LYS 5.098 0.297 6 0 "[ . 1 . 2]"
1 73 GLN 6.745 0.284 9 0 "[ . 1 . 2]"
1 74 ASP 8.505 0.317 12 0 "[ . 1 . 2]"
1 75 LEU 18.415 0.346 19 0 "[ . 1 . 2]"
1 76 GLY 10.240 0.468 9 0 "[ . 1 . 2]"
1 77 ALA 6.745 0.284 9 0 "[ . 1 . 2]"
1 78 ALA 8.505 0.317 12 0 "[ . 1 . 2]"
1 79 GLY 8.587 0.332 19 0 "[ . 1 . 2]"
1 80 ALA 5.142 0.468 9 0 "[ . 1 . 2]"
1 86 SER 10.922 0.328 14 0 "[ . 1 . 2]"
1 88 VAL 12.479 0.317 10 0 "[ . 1 . 2]"
1 89 PHE 12.017 0.341 18 0 "[ . 1 . 2]"
1 90 ILE 14.058 0.449 9 0 "[ . 1 . 2]"
1 91 VAL 0.224 0.082 19 0 "[ . 1 . 2]"
1 103 LYS 1.820 0.233 5 0 "[ . 1 . 2]"
1 104 GLU 2.778 0.266 15 0 "[ . 1 . 2]"
1 105 GLU 9.949 0.328 5 0 "[ . 1 . 2]"
1 106 GLU 6.721 0.356 15 0 "[ . 1 . 2]"
1 107 TYR 4.973 0.244 8 0 "[ . 1 . 2]"
1 108 LYS 4.333 0.266 15 0 "[ . 1 . 2]"
1 109 GLU 23.039 0.388 9 0 "[ . 1 . 2]"
1 110 SER 17.494 0.356 15 0 "[ . 1 . 2]"
1 111 PHE 3.790 0.244 8 0 "[ . 1 . 2]"
1 112 ASN 8.834 0.250 13 0 "[ . 1 . 2]"
1 113 GLU 23.108 0.388 9 0 "[ . 1 . 2]"
1 114 VAL 20.786 0.337 13 0 "[ . 1 . 2]"
1 115 VAL 9.394 0.323 13 0 "[ . 1 . 2]"
1 116 LYS 14.672 0.307 1 0 "[ . 1 . 2]"
1 117 GLU 17.200 0.326 12 0 "[ . 1 . 2]"
1 118 VAL 10.012 0.332 13 0 "[ . 1 . 2]"
1 119 GLN 8.758 0.323 13 0 "[ . 1 . 2]"
1 120 ALA 7.393 0.307 1 0 "[ . 1 . 2]"
1 121 LEU 7.183 0.266 12 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 LYS O 1 7 LYS H . . 1.800 1.999 1.909 2.019 0.219 6 0 "[ . 1 . 2]" 2
2 1 3 LYS O 1 7 LYS N . . 2.700 2.966 2.881 2.999 0.299 6 0 "[ . 1 . 2]" 2
3 1 4 LEU O 1 8 VAL H . . 1.800 1.952 1.799 2.015 0.215 20 0 "[ . 1 . 2]" 2
4 1 4 LEU O 1 8 VAL N . . 2.700 2.917 2.764 2.989 0.289 18 0 "[ . 1 . 2]" 2
5 1 5 ASN O 1 9 LEU H . . 1.800 1.892 1.789 2.016 0.216 3 0 "[ . 1 . 2]" 2
6 1 5 ASN O 1 9 LEU N . . 2.700 2.851 2.736 2.992 0.292 3 0 "[ . 1 . 2]" 2
7 1 6 LYS O 1 10 LYS H . . 1.800 2.024 2.006 2.046 0.246 20 0 "[ . 1 . 2]" 2
8 1 6 LYS O 1 10 LYS N . . 2.700 2.937 2.873 3.008 0.308 14 0 "[ . 1 . 2]" 2
9 1 7 LYS O 1 11 THR H . . 1.800 2.012 1.883 2.038 0.238 4 0 "[ . 1 . 2]" 2
10 1 7 LYS O 1 11 THR N . . 2.700 2.931 2.776 2.974 0.274 10 0 "[ . 1 . 2]" 2
11 1 8 VAL O 1 12 VAL H . . 1.800 2.014 1.819 2.079 0.279 17 0 "[ . 1 . 2]" 2
12 1 8 VAL O 1 12 VAL N . . 2.700 2.976 2.789 3.035 0.335 17 0 "[ . 1 . 2]" 2
13 1 9 LEU O 1 13 LYS H . . 1.800 1.954 1.803 2.062 0.262 20 0 "[ . 1 . 2]" 2
14 1 9 LEU O 1 13 LYS N . . 2.700 2.815 2.691 2.923 0.223 7 0 "[ . 1 . 2]" 2
15 1 10 LYS O 1 14 LYS H . . 1.800 2.011 1.961 2.041 0.241 5 0 "[ . 1 . 2]" 2
16 1 10 LYS O 1 14 LYS N . . 2.700 2.901 2.828 2.992 0.292 4 0 "[ . 1 . 2]" 2
17 1 11 THR O 1 15 ALA H . . 1.800 2.051 1.816 2.118 0.318 17 0 "[ . 1 . 2]" 2
18 1 11 THR O 1 15 ALA N . . 2.700 2.980 2.781 3.063 0.363 17 0 "[ . 1 . 2]" 2
19 1 12 VAL O 1 16 SER H . . 1.800 1.995 1.867 2.060 0.260 7 0 "[ . 1 . 2]" 2
20 1 12 VAL O 1 16 SER N . . 2.700 2.739 2.685 2.830 0.130 5 0 "[ . 1 . 2]" 2
21 1 24 GLY O 1 28 VAL H . . 1.800 2.075 1.881 2.184 0.384 6 0 "[ . 1 . 2]" 2
22 1 24 GLY O 1 28 VAL N . . 2.700 3.002 2.833 3.054 0.354 15 0 "[ . 1 . 2]" 2
23 1 25 VAL O 1 29 VAL H . . 1.800 2.052 2.017 2.105 0.305 10 0 "[ . 1 . 2]" 2
24 1 25 VAL O 1 29 VAL N . . 2.700 3.010 2.986 3.031 0.331 10 0 "[ . 1 . 2]" 2
25 1 26 LYS O 1 30 LYS H . . 1.800 2.047 2.007 2.157 0.357 10 0 "[ . 1 . 2]" 2
26 1 26 LYS O 1 30 LYS N . . 2.700 2.949 2.912 3.015 0.315 10 0 "[ . 1 . 2]" 2
27 1 27 GLU O 1 31 ALA H . . 1.800 1.897 1.823 2.033 0.233 10 0 "[ . 1 . 2]" 2
28 1 27 GLU O 1 31 ALA N . . 2.700 2.770 2.705 2.925 0.225 10 0 "[ . 1 . 2]" 2
29 1 28 VAL O 1 32 LEU H . . 1.800 2.093 2.056 2.136 0.336 14 0 "[ . 1 . 2]" 2
30 1 28 VAL O 1 32 LEU N . . 2.700 2.988 2.960 3.016 0.316 14 0 "[ . 1 . 2]" 2
31 1 29 VAL O 1 33 ARG H . . 1.800 2.026 2.011 2.061 0.261 14 0 "[ . 1 . 2]" 2
32 1 29 VAL O 1 33 ARG N . . 2.700 2.748 2.714 2.803 0.103 10 0 "[ . 1 . 2]" 2
33 1 30 LYS O 1 34 LYS H . . 1.800 1.817 1.790 2.012 0.212 9 0 "[ . 1 . 2]" 2
34 1 30 LYS O 1 34 LYS N . . 2.700 2.763 2.715 2.992 0.292 9 0 "[ . 1 . 2]" 2
35 1 50 ASP O 1 54 HIS H . . 1.800 2.083 1.871 2.214 0.414 8 0 "[ . 1 . 2]" 2
36 1 50 ASP O 1 54 HIS N . . 2.700 2.801 2.661 2.995 0.295 11 0 "[ . 1 . 2]" 2
37 1 51 VAL O 1 55 ILE H . . 1.800 1.990 1.835 2.046 0.246 3 0 "[ . 1 . 2]" 2
38 1 51 VAL O 1 55 ILE N . . 2.700 2.852 2.723 2.980 0.280 3 0 "[ . 1 . 2]" 2
39 1 54 HIS O 1 58 LEU H . . 1.800 1.794 1.760 1.835 0.035 18 0 "[ . 1 . 2]" 2
40 1 54 HIS O 1 58 LEU N . . 2.700 2.741 2.723 2.812 0.112 18 0 "[ . 1 . 2]" 2
41 1 55 ILE O 1 59 CYS H . . 1.800 2.152 2.110 2.176 0.376 5 0 "[ . 1 . 2]" 2
42 1 55 ILE O 1 59 CYS N . . 2.700 2.977 2.957 3.042 0.342 18 0 "[ . 1 . 2]" 2
43 1 56 PRO O 1 60 GLU H . . 1.800 2.012 1.997 2.024 0.224 18 0 "[ . 1 . 2]" 2
44 1 56 PRO O 1 60 GLU N . . 2.700 2.895 2.849 2.933 0.233 8 0 "[ . 1 . 2]" 2
45 1 57 VAL O 1 61 ASP H . . 1.800 2.083 2.062 2.112 0.312 10 0 "[ . 1 . 2]" 2
46 1 57 VAL O 1 61 ASP N . . 2.700 2.756 2.721 2.799 0.099 10 0 "[ . 1 . 2]" 2
47 1 58 LEU O 1 62 HIS H . . 1.800 2.037 2.017 2.061 0.261 10 0 "[ . 1 . 2]" 2
48 1 58 LEU O 1 62 HIS N . . 2.700 2.992 2.969 3.007 0.307 15 0 "[ . 1 . 2]" 2
49 1 59 CYS O 1 63 SER H . . 1.800 2.355 2.250 2.388 0.588 5 19 [****+********-.*****] 2
50 1 59 CYS O 1 63 SER N . . 2.700 2.645 2.618 2.786 0.086 18 0 "[ . 1 . 2]" 2
51 1 71 SER O 1 75 LEU H . . 1.800 2.016 1.930 2.066 0.266 19 0 "[ . 1 . 2]" 2
52 1 71 SER O 1 75 LEU N . . 2.700 2.976 2.906 3.046 0.346 19 0 "[ . 1 . 2]" 2
53 1 72 LYS O 1 76 GLY H . . 1.800 1.915 1.773 2.034 0.234 6 0 "[ . 1 . 2]" 2
54 1 72 LYS O 1 76 GLY N . . 2.700 2.839 2.730 2.997 0.297 6 0 "[ . 1 . 2]" 2
55 1 73 GLN O 1 77 ALA H . . 1.800 1.967 1.839 2.014 0.214 18 0 "[ . 1 . 2]" 2
56 1 73 GLN O 1 77 ALA N . . 2.700 2.870 2.742 2.984 0.284 9 0 "[ . 1 . 2]" 2
57 1 74 ASP O 1 78 ALA H . . 1.800 2.016 1.817 2.058 0.258 9 0 "[ . 1 . 2]" 2
58 1 74 ASP O 1 78 ALA N . . 2.700 2.909 2.732 3.017 0.317 12 0 "[ . 1 . 2]" 2
59 1 75 LEU O 1 79 GLY H . . 1.800 2.007 1.916 2.056 0.256 19 0 "[ . 1 . 2]" 2
60 1 75 LEU O 1 79 GLY N . . 2.700 2.922 2.724 3.032 0.332 19 0 "[ . 1 . 2]" 2
61 1 76 GLY O 1 80 ALA H . . 1.800 2.056 1.918 2.268 0.468 9 0 "[ . 1 . 2]" 2
62 1 76 GLY O 1 80 ALA N . . 2.700 2.665 2.532 2.710 0.010 12 0 "[ . 1 . 2]" 2
63 1 103 LYS O 1 107 TYR H . . 1.800 1.836 1.782 2.009 0.209 5 0 "[ . 1 . 2]" 2
64 1 103 LYS O 1 107 TYR N . . 2.700 2.753 2.715 2.933 0.233 5 0 "[ . 1 . 2]" 2
65 1 104 GLU O 1 108 LYS H . . 1.800 1.870 1.793 2.066 0.266 15 0 "[ . 1 . 2]" 2
66 1 104 GLU O 1 108 LYS N . . 2.700 2.768 2.695 2.957 0.257 15 0 "[ . 1 . 2]" 2
67 1 105 GLU O 1 109 GLU H . . 1.800 2.032 1.818 2.084 0.284 18 0 "[ . 1 . 2]" 2
68 1 105 GLU O 1 109 GLU N . . 2.700 2.966 2.737 3.028 0.328 5 0 "[ . 1 . 2]" 2
69 1 106 GLU O 1 110 SER H . . 1.800 1.947 1.803 2.106 0.306 15 0 "[ . 1 . 2]" 2
70 1 106 GLU O 1 110 SER N . . 2.700 2.889 2.744 3.056 0.356 15 0 "[ . 1 . 2]" 2
71 1 107 TYR O 1 111 PHE H . . 1.800 1.878 1.760 2.024 0.224 11 0 "[ . 1 . 2]" 2
72 1 107 TYR O 1 111 PHE N . . 2.700 2.766 2.687 2.944 0.244 8 0 "[ . 1 . 2]" 2
73 1 108 LYS O 1 112 ASN H . . 1.800 1.805 1.749 1.949 0.149 4 0 "[ . 1 . 2]" 2
74 1 108 LYS O 1 112 ASN N . . 2.700 2.755 2.719 2.889 0.189 15 0 "[ . 1 . 2]" 2
75 1 109 GLU O 1 113 GLU H . . 1.800 2.144 2.065 2.188 0.388 9 0 "[ . 1 . 2]" 2
76 1 109 GLU O 1 113 GLU N . . 2.700 3.011 2.911 3.063 0.363 3 0 "[ . 1 . 2]" 2
77 1 110 SER O 1 114 VAL H . . 1.800 2.035 2.015 2.068 0.268 13 0 "[ . 1 . 2]" 2
78 1 110 SER O 1 114 VAL N . . 2.700 3.004 2.970 3.037 0.337 13 0 "[ . 1 . 2]" 2
79 1 111 PHE O 1 115 VAL H . . 1.800 1.778 1.738 1.835 0.035 11 0 "[ . 1 . 2]" 2
80 1 111 PHE O 1 115 VAL N . . 2.700 2.727 2.685 2.762 0.062 1 0 "[ . 1 . 2]" 2
81 1 112 ASN O 1 116 LYS H . . 1.800 2.003 1.906 2.050 0.250 13 0 "[ . 1 . 2]" 2
82 1 112 ASN O 1 116 LYS N . . 2.700 2.861 2.735 2.946 0.246 13 0 "[ . 1 . 2]" 2
83 1 113 GLU O 1 117 GLU H . . 1.800 2.051 2.017 2.126 0.326 12 0 "[ . 1 . 2]" 2
84 1 113 GLU O 1 117 GLU N . . 2.700 2.950 2.886 2.997 0.297 13 0 "[ . 1 . 2]" 2
85 1 114 VAL O 1 118 VAL H . . 1.800 2.050 2.014 2.102 0.302 13 0 "[ . 1 . 2]" 2
86 1 114 VAL O 1 118 VAL N . . 2.700 2.950 2.841 3.032 0.332 13 0 "[ . 1 . 2]" 2
87 1 115 VAL O 1 119 GLN H . . 1.800 2.026 1.920 2.078 0.278 12 0 "[ . 1 . 2]" 2
88 1 115 VAL O 1 119 GLN N . . 2.700 2.912 2.741 3.023 0.323 13 0 "[ . 1 . 2]" 2
89 1 116 LYS O 1 120 ALA H . . 1.800 1.991 1.863 2.050 0.250 12 0 "[ . 1 . 2]" 2
90 1 116 LYS O 1 120 ALA N . . 2.700 2.878 2.768 3.007 0.307 1 0 "[ . 1 . 2]" 2
91 1 117 GLU O 1 121 LEU H . . 1.800 1.976 1.812 2.021 0.221 3 0 "[ . 1 . 2]" 2
92 1 117 GLU O 1 121 LEU N . . 2.700 2.883 2.781 2.966 0.266 12 0 "[ . 1 . 2]" 2
93 1 22 LYS O 1 89 PHE H . . 1.800 1.787 1.728 1.877 0.077 6 0 "[ . 1 . 2]" 2
94 1 22 LYS O 1 89 PHE N . . 2.700 2.711 2.625 2.778 0.078 8 0 "[ . 1 . 2]" 2
95 1 22 LYS H 1 89 PHE O . . 1.800 2.101 2.055 2.141 0.341 18 0 "[ . 1 . 2]" 2
96 1 22 LYS N 1 89 PHE O . . 2.700 2.970 2.913 3.019 0.319 18 0 "[ . 1 . 2]" 2
97 1 20 ASN O 1 91 VAL H . . 2.000 1.915 1.786 2.082 0.082 19 0 "[ . 1 . 2]" 2
98 1 20 ASN O 1 91 VAL N . . 3.000 2.799 2.671 2.965 . 0 0 "[ . 1 . 2]" 2
99 1 43 ALA H 1 86 SER O . . 1.800 2.073 2.038 2.127 0.327 14 0 "[ . 1 . 2]" 2
100 1 43 ALA N 1 86 SER O . . 2.700 2.973 2.873 3.028 0.328 14 0 "[ . 1 . 2]" 2
101 1 41 VAL O 1 88 VAL H . . 1.800 2.049 2.004 2.087 0.287 13 0 "[ . 1 . 2]" 2
102 1 41 VAL O 1 88 VAL N . . 2.700 2.883 2.761 3.017 0.317 10 0 "[ . 1 . 2]" 2
103 1 41 VAL H 1 88 VAL O . . 1.800 1.969 1.749 2.030 0.230 19 0 "[ . 1 . 2]" 2
104 1 41 VAL N 1 88 VAL O . . 2.700 2.716 2.638 2.759 0.059 13 0 "[ . 1 . 2]" 2
105 1 39 LEU O 1 90 ILE H . . 1.800 1.686 1.664 1.723 . 0 0 "[ . 1 . 2]" 2
106 1 39 LEU O 1 90 ILE N . . 2.700 2.659 2.640 2.698 . 0 0 "[ . 1 . 2]" 2
107 1 39 LEU H 1 90 ILE O . . 1.800 2.179 2.120 2.249 0.449 9 0 "[ . 1 . 2]" 2
108 1 39 LEU N 1 90 ILE O . . 2.700 3.024 2.970 3.077 0.377 17 0 "[ . 1 . 2]" 2
109 1 42 ILE O 1 69 ILE H . . 1.800 1.915 1.787 2.025 0.225 15 0 "[ . 1 . 2]" 2
110 1 42 ILE O 1 69 ILE N . . 2.700 2.850 2.736 2.955 0.255 15 0 "[ . 1 . 2]" 2
111 1 42 ILE H 1 67 ILE O . . 1.800 2.009 1.874 2.092 0.292 6 0 "[ . 1 . 2]" 2
112 1 42 ILE N 1 67 ILE O . . 2.700 2.929 2.786 3.047 0.347 6 0 "[ . 1 . 2]" 2
113 1 40 VAL O 1 67 ILE H . . 1.800 1.803 1.783 1.855 0.055 8 0 "[ . 1 . 2]" 2
114 1 40 VAL O 1 67 ILE N . . 2.700 2.695 2.668 2.743 0.043 8 0 "[ . 1 . 2]" 2
115 1 40 VAL H 1 65 PRO O . . 1.800 1.864 1.797 1.904 0.104 19 0 "[ . 1 . 2]" 2
116 1 40 VAL N 1 65 PRO O . . 2.700 2.827 2.766 2.866 0.166 19 0 "[ . 1 . 2]" 2
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