NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
584795 |
2mvf   |
25265 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mvf
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 763
_Distance_constraint_stats_list.Viol_count 1586
_Distance_constraint_stats_list.Viol_total 5123.647
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0826
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0168
_Distance_constraint_stats_list.Viol_average_violations_only 0.1615
_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 TYR 3.408 0.262 13 0 "[ . 1 . 2]"
1 2 GLU 4.108 0.334 11 0 "[ . 1 . 2]"
1 3 ARG 1.742 0.334 11 0 "[ . 1 . 2]"
1 4 PHE 0.211 0.086 3 0 "[ . 1 . 2]"
1 5 ILE 1.797 0.196 1 0 "[ . 1 . 2]"
1 6 ARG 1.449 0.155 1 0 "[ . 1 . 2]"
1 7 PRO 4.591 0.387 13 0 "[ . 1 . 2]"
1 8 MET 5.304 0.387 13 0 "[ . 1 . 2]"
1 9 GLY 1.562 0.241 10 0 "[ . 1 . 2]"
1 10 LEU 4.842 0.271 10 0 "[ . 1 . 2]"
1 11 ARG 0.857 0.193 19 0 "[ . 1 . 2]"
1 12 TYR 0.217 0.112 20 0 "[ . 1 . 2]"
1 13 LYS 3.860 0.418 16 0 "[ . 1 . 2]"
1 14 LYS 4.530 0.360 10 0 "[ . 1 . 2]"
1 15 ALA 14.758 0.732 20 1 "[ . 1 . +]"
1 16 ASN 10.256 0.791 10 8 "[ - * + ***.* *2]"
1 17 VAL 4.919 0.231 2 0 "[ . 1 . 2]"
1 18 THR 6.662 0.333 18 0 "[ . 1 . 2]"
1 19 HIS 1.457 0.085 17 0 "[ . 1 . 2]"
1 20 PRO 0.970 0.100 8 0 "[ . 1 . 2]"
1 21 THR 1.725 0.107 18 0 "[ . 1 . 2]"
1 22 LEU 12.011 0.482 15 0 "[ . 1 . 2]"
1 23 ASN 9.174 0.482 15 0 "[ . 1 . 2]"
1 24 VAL 6.985 0.311 9 0 "[ . 1 . 2]"
1 25 THR 0.169 0.056 19 0 "[ . 1 . 2]"
1 26 VAL 5.829 0.231 2 0 "[ . 1 . 2]"
1 27 GLN 2.488 0.291 20 0 "[ . 1 . 2]"
1 28 LEU 12.472 0.732 20 1 "[ . 1 . +]"
1 29 PRO 0.146 0.085 20 0 "[ . 1 . 2]"
1 30 ILE 2.067 0.185 1 0 "[ . 1 . 2]"
1 31 LEU 2.321 0.180 1 0 "[ . 1 . 2]"
1 32 SER 18.599 0.814 19 20 [*-****************+*]
1 33 VAL 0.601 0.256 15 0 "[ . 1 . 2]"
1 34 LYS 15.867 0.811 17 17 "[****-***** ****+* *]"
1 35 LYS 1.437 0.196 1 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 1.336 0.280 17 0 "[ . 1 . 2]"
1 38 SER 0.261 0.069 6 0 "[ . 1 . 2]"
1 39 ASN 2.093 0.280 17 0 "[ . 1 . 2]"
1 40 PRO 0.924 0.274 6 0 "[ . 1 . 2]"
1 41 LEU 6.039 0.484 2 0 "[ . 1 . 2]"
1 42 TYR 3.513 0.484 2 0 "[ . 1 . 2]"
1 43 THR 1.430 0.255 17 0 "[ . 1 . 2]"
1 44 GLN 0.887 0.255 17 0 "[ . 1 . 2]"
1 45 LEU 0.568 0.136 16 0 "[ . 1 . 2]"
1 46 GLY 0.179 0.077 17 0 "[ . 1 . 2]"
1 48 LEU 1.741 0.326 18 0 "[ . 1 . 2]"
1 49 THR 2.235 0.326 18 0 "[ . 1 . 2]"
1 50 LYS 1.300 0.229 7 0 "[ . 1 . 2]"
1 51 GLY 0.034 0.034 19 0 "[ . 1 . 2]"
1 52 THR 38.641 0.993 8 20 [*******+**-*********]
1 53 ILE 15.878 0.811 17 17 "[****-***** ****+* *]"
1 54 ILE 7.569 0.307 7 0 "[ . 1 . 2]"
1 55 GLU 18.587 0.814 19 20 [*-****************+*]
1 56 VAL 7.380 0.613 20 1 "[ . 1 . +]"
1 57 ASN 1.770 0.266 9 0 "[ . 1 . 2]"
1 58 VAL 18.364 0.835 13 16 "[-** ** *****+ **** *]"
1 59 SER 1.770 0.266 9 0 "[ . 1 . 2]"
1 60 ASP 0.031 0.031 2 0 "[ . 1 . 2]"
1 61 LEU 1.768 0.267 5 0 "[ . 1 . 2]"
1 62 GLY 0.031 0.031 2 0 "[ . 1 . 2]"
1 63 ILE 4.775 0.384 15 0 "[ . 1 . 2]"
1 64 VAL 4.797 0.384 15 0 "[ . 1 . 2]"
1 65 THR 2.411 0.309 18 0 "[ . 1 . 2]"
1 66 ALA 0.643 0.337 15 0 "[ . 1 . 2]"
1 67 SER 2.999 0.337 15 0 "[ . 1 . 2]"
1 68 GLY 1.073 0.270 12 0 "[ . 1 . 2]"
1 69 LYS 9.242 0.375 2 0 "[ . 1 . 2]"
1 70 ILE 10.618 0.375 2 0 "[ . 1 . 2]"
1 71 ALA 0.412 0.099 20 0 "[ . 1 . 2]"
1 72 TRP 18.293 0.835 13 16 "[-** ** *****+ **** *]"
1 74 ARG 7.305 0.613 20 1 "[ . 1 . +]"
1 75 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 5.625 0.307 7 0 "[ . 1 . 2]"
1 77 GLN 4.987 0.247 8 0 "[ . 1 . 2]"
1 78 ILE 38.562 0.993 8 20 [*******+**-*********]
1 79 THR 14.912 0.756 19 20 [*****-************+*]
1 80 ASN 3.331 0.229 7 0 "[ . 1 . 2]"
1 81 ASN 0.604 0.108 10 0 "[ . 1 . 2]"
1 82 PRO 4.558 0.231 2 0 "[ . 1 . 2]"
1 83 GLU 0.869 0.090 19 0 "[ . 1 . 2]"
1 84 ASN 3.854 0.185 7 0 "[ . 1 . 2]"
1 85 ASP 5.551 0.317 20 0 "[ . 1 . 2]"
1 86 GLY 1.465 0.090 19 0 "[ . 1 . 2]"
1 87 CYS 2.598 0.185 7 0 "[ . 1 . 2]"
1 88 VAL 9.839 0.791 10 8 "[ - * + ***.* *2]"
1 89 ASN 20.646 0.756 19 20 [*****-************+*]
1 90 ALA 5.348 0.333 18 0 "[ . 1 . 2]"
1 91 VAL 4.701 0.247 8 0 "[ . 1 . 2]"
1 92 LEU 1.257 0.230 13 0 "[ . 1 . 2]"
1 93 LEU 1.106 0.141 3 0 "[ . 1 . 2]"
1 94 VAL 0.591 0.230 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 68 GLY HA3 1 71 ALA H . . 5.000 4.180 3.560 4.687 . 0 0 "[ . 1 . 2]" 1
2 1 34 LYS H 1 55 GLU H . . 5.270 5.019 4.728 5.294 0.024 20 0 "[ . 1 . 2]" 1
3 1 82 PRO HB3 1 87 CYS H . . 4.610 4.477 4.128 4.671 0.061 13 0 "[ . 1 . 2]" 1
4 1 56 VAL H 1 76 ALA H . . 4.530 4.166 4.003 4.491 . 0 0 "[ . 1 . 2]" 1
5 1 18 THR HB 1 19 HIS H . . 4.410 4.189 4.154 4.228 . 0 0 "[ . 1 . 2]" 1
6 1 39 ASN H 1 39 ASN HB3 . . 4.090 3.570 2.575 4.082 . 0 0 "[ . 1 . 2]" 1
7 1 81 ASN H 1 89 ASN HD22 . . 3.980 3.790 3.011 4.088 0.108 10 0 "[ . 1 . 2]" 1
8 1 15 ALA MB 1 89 ASN HA . . 5.590 3.550 3.120 4.019 . 0 0 "[ . 1 . 2]" 1
9 1 7 PRO HD2 1 8 MET HA . . 5.590 5.368 4.353 5.744 0.154 7 0 "[ . 1 . 2]" 1
10 1 18 THR HB 1 91 VAL HB . . 5.590 3.592 3.052 3.867 . 0 0 "[ . 1 . 2]" 1
11 1 31 LEU MD2 1 57 ASN H . . 5.580 3.140 1.925 4.776 . 0 0 "[ . 1 . 2]" 1
12 1 21 THR MG 1 22 LEU HB3 . . 5.570 4.776 4.314 5.620 0.050 19 0 "[ . 1 . 2]" 1
13 1 18 THR H 1 25 THR HA . . 5.560 4.437 4.250 4.651 . 0 0 "[ . 1 . 2]" 1
14 1 41 LEU MD1 1 48 LEU HA . . 5.560 3.809 2.221 5.872 0.312 10 0 "[ . 1 . 2]" 1
15 1 50 LYS HE3 1 79 THR HA . . 5.540 4.247 2.568 5.131 . 0 0 "[ . 1 . 2]" 1
16 1 16 ASN H 1 88 VAL H . . 5.540 4.909 4.598 5.324 . 0 0 "[ . 1 . 2]" 1
17 1 65 THR HA 1 66 ALA MB . . 5.540 4.453 3.949 4.926 . 0 0 "[ . 1 . 2]" 1
18 1 6 ARG H 1 6 ARG HD2 . . 5.540 4.424 2.381 5.643 0.103 17 0 "[ . 1 . 2]" 1
19 1 16 ASN H 1 89 ASN HB2 . . 5.540 5.590 5.310 5.715 0.175 12 0 "[ . 1 . 2]" 1
20 1 69 LYS HA 1 70 ILE HG12 . . 5.540 5.286 5.056 5.463 . 0 0 "[ . 1 . 2]" 1
21 1 22 LEU MD2 1 23 ASN H . . 5.540 4.459 4.416 4.805 . 0 0 "[ . 1 . 2]" 1
22 1 78 ILE MG 1 89 ASN H . . 5.530 3.773 3.358 3.999 . 0 0 "[ . 1 . 2]" 1
23 1 6 ARG H 1 6 ARG HD3 . . 5.530 4.223 1.863 5.554 0.024 7 0 "[ . 1 . 2]" 1
24 1 69 LYS HA 1 70 ILE HG13 . . 5.530 5.809 5.680 5.905 0.375 2 0 "[ . 1 . 2]" 1
25 1 15 ALA MB 1 88 VAL HB . . 5.520 3.725 3.035 4.637 . 0 0 "[ . 1 . 2]" 1
26 1 63 ILE HB 1 65 THR HA . . 5.520 5.441 4.503 5.829 0.309 18 0 "[ . 1 . 2]" 1
27 1 50 LYS HA 1 50 LYS HD2 . . 5.520 5.201 4.664 5.540 0.020 18 0 "[ . 1 . 2]" 1
28 1 50 LYS H 1 80 ASN H . . 5.520 4.286 3.669 5.537 0.017 9 0 "[ . 1 . 2]" 1
29 1 21 THR H 1 94 VAL MG2 . . 5.520 4.317 3.079 5.512 . 0 0 "[ . 1 . 2]" 1
30 1 54 ILE H 1 76 ALA MB . . 5.510 3.893 3.676 4.027 . 0 0 "[ . 1 . 2]" 1
31 1 13 LYS HA 1 13 LYS HE2 . . 5.510 4.828 4.263 5.405 . 0 0 "[ . 1 . 2]" 1
32 1 8 MET H 1 10 LEU HA . . 5.510 5.366 4.426 5.781 0.271 10 0 "[ . 1 . 2]" 1
33 1 61 LEU H 1 61 LEU MD1 . . 5.510 3.447 1.795 4.483 . 0 0 "[ . 1 . 2]" 1
34 1 50 LYS H 1 79 THR HA . . 5.510 4.640 4.236 5.315 . 0 0 "[ . 1 . 2]" 1
35 1 53 ILE HG13 1 54 ILE H . . 5.500 5.357 4.353 5.517 0.017 19 0 "[ . 1 . 2]" 1
36 1 8 MET HA 1 9 GLY HA3 . . 5.500 4.508 4.241 4.990 . 0 0 "[ . 1 . 2]" 1
37 1 64 VAL HA 1 67 SER H . . 5.500 4.816 2.636 5.794 0.294 4 0 "[ . 1 . 2]" 1
38 1 15 ALA H 1 30 ILE HA . . 5.500 5.184 4.989 5.486 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLU HG2 1 3 ARG H . . 5.500 4.833 4.022 5.189 . 0 0 "[ . 1 . 2]" 1
40 1 3 ARG HA 1 3 ARG HD3 . . 5.500 3.837 2.091 5.532 0.032 11 0 "[ . 1 . 2]" 1
41 1 16 ASN HA 1 90 ALA H . . 5.500 4.655 4.580 4.744 . 0 0 "[ . 1 . 2]" 1
42 1 3 ARG HA 1 3 ARG HD2 . . 5.500 4.099 2.019 5.515 0.015 16 0 "[ . 1 . 2]" 1
43 1 13 LYS H 1 13 LYS HE3 . . 5.500 4.767 4.118 5.586 0.086 18 0 "[ . 1 . 2]" 1
44 1 13 LYS H 1 13 LYS HE2 . . 5.500 4.552 2.685 5.649 0.149 13 0 "[ . 1 . 2]" 1
45 1 67 SER H 1 68 GLY HA2 . . 5.500 4.970 4.072 5.770 0.270 12 0 "[ . 1 . 2]" 1
46 1 68 GLY HA2 1 69 LYS HA . . 5.500 4.758 4.695 5.105 . 0 0 "[ . 1 . 2]" 1
47 1 68 GLY HA3 1 69 LYS HA . . 5.500 4.546 4.339 4.749 . 0 0 "[ . 1 . 2]" 1
48 1 44 GLN HG2 1 45 LEU H . . 5.500 4.261 2.914 5.323 . 0 0 "[ . 1 . 2]" 1
49 1 44 GLN HG3 1 45 LEU H . . 5.500 4.402 2.647 5.116 . 0 0 "[ . 1 . 2]" 1
50 1 54 ILE HB 1 56 VAL MG1 . . 5.500 3.348 2.970 3.547 . 0 0 "[ . 1 . 2]" 1
51 1 2 GLU HG3 1 3 ARG H . . 5.500 4.752 3.850 5.237 . 0 0 "[ . 1 . 2]" 1
52 1 13 LYS HA 1 13 LYS HE3 . . 5.500 4.867 3.727 5.515 0.015 12 0 "[ . 1 . 2]" 1
53 1 69 LYS HD2 1 70 ILE H . . 5.500 4.930 3.734 5.557 0.057 19 0 "[ . 1 . 2]" 1
54 1 14 LYS HD2 1 27 GLN HB3 . . 5.500 5.121 3.904 5.791 0.291 20 0 "[ . 1 . 2]" 1
55 1 69 LYS HD3 1 70 ILE H . . 5.500 4.923 3.411 5.588 0.088 2 0 "[ . 1 . 2]" 1
56 1 14 LYS HG3 1 30 ILE H . . 5.500 4.555 4.150 5.426 . 0 0 "[ . 1 . 2]" 1
57 1 50 LYS HA 1 50 LYS HD3 . . 5.500 5.077 4.754 5.537 0.037 19 0 "[ . 1 . 2]" 1
58 1 50 LYS HE2 1 79 THR HA . . 5.500 3.304 2.581 4.417 . 0 0 "[ . 1 . 2]" 1
59 1 76 ALA HA 1 91 VAL H . . 5.500 4.772 4.492 5.134 . 0 0 "[ . 1 . 2]" 1
60 1 22 LEU HG 1 24 VAL HB . . 5.500 5.628 5.507 5.727 0.227 1 0 "[ . 1 . 2]" 1
61 1 77 GLN HA 1 91 VAL H . . 5.500 4.648 4.508 4.820 . 0 0 "[ . 1 . 2]" 1
62 1 14 LYS HD3 1 27 GLN HB3 . . 5.500 4.086 3.064 5.605 0.105 4 0 "[ . 1 . 2]" 1
63 1 14 LYS HG2 1 30 ILE H . . 5.500 4.902 3.782 5.596 0.096 18 0 "[ . 1 . 2]" 1
64 1 32 SER H 1 56 VAL HA . . 5.500 4.573 4.282 4.755 . 0 0 "[ . 1 . 2]" 1
65 1 61 LEU HG 1 62 GLY H . . 5.500 4.438 2.838 5.255 . 0 0 "[ . 1 . 2]" 1
66 1 23 ASN HA 1 24 VAL HB . . 5.500 5.017 4.899 5.140 . 0 0 "[ . 1 . 2]" 1
67 1 50 LYS HG2 1 79 THR HA . . 5.500 4.576 4.328 4.995 . 0 0 "[ . 1 . 2]" 1
68 1 82 PRO HB3 1 86 GLY H . . 5.500 4.505 4.235 4.715 . 0 0 "[ . 1 . 2]" 1
69 1 82 PRO HA 1 85 ASP HB3 . . 5.500 4.679 3.936 5.586 0.086 15 0 "[ . 1 . 2]" 1
70 1 33 VAL H 1 55 GLU H . . 5.500 4.853 4.742 4.973 . 0 0 "[ . 1 . 2]" 1
71 1 23 ASN H 1 24 VAL HA . . 5.500 5.285 5.259 5.442 . 0 0 "[ . 1 . 2]" 1
72 1 8 MET HA 1 9 GLY HA2 . . 5.500 4.786 4.394 5.177 . 0 0 "[ . 1 . 2]" 1
73 1 32 SER H 1 56 VAL MG1 . . 5.490 4.451 3.917 4.792 . 0 0 "[ . 1 . 2]" 1
74 1 17 VAL MG1 1 19 HIS H . . 5.480 4.060 3.940 4.153 . 0 0 "[ . 1 . 2]" 1
75 1 15 ALA H 1 27 GLN HA . . 5.480 4.472 4.029 4.975 . 0 0 "[ . 1 . 2]" 1
76 1 19 HIS HA 1 20 PRO HB3 . . 5.480 5.133 4.944 5.529 0.049 6 0 "[ . 1 . 2]" 1
77 1 66 ALA MB 1 68 GLY H . . 5.460 3.736 3.053 4.880 . 0 0 "[ . 1 . 2]" 1
78 1 9 GLY H 1 10 LEU HA . . 5.450 4.867 4.028 5.210 . 0 0 "[ . 1 . 2]" 1
79 1 93 LEU HA 1 94 VAL MG1 . . 5.450 3.780 3.446 5.393 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG HA 1 6 ARG HD3 . . 5.440 4.519 3.038 5.297 . 0 0 "[ . 1 . 2]" 1
81 1 6 ARG HA 1 6 ARG HD2 . . 5.440 4.439 3.077 5.507 0.067 19 0 "[ . 1 . 2]" 1
82 1 54 ILE HG12 1 76 ALA MB . . 5.440 2.875 2.431 3.234 . 0 0 "[ . 1 . 2]" 1
83 1 85 ASP H 1 86 GLY HA3 . . 5.430 4.898 4.727 5.103 . 0 0 "[ . 1 . 2]" 1
84 1 18 THR MG 1 20 PRO HA . . 5.430 3.553 3.322 3.747 . 0 0 "[ . 1 . 2]" 1
85 1 16 ASN H 1 88 VAL MG1 . . 5.430 4.043 3.807 4.276 . 0 0 "[ . 1 . 2]" 1
86 1 14 LYS H 1 14 LYS HG2 . . 5.430 4.393 3.955 4.635 . 0 0 "[ . 1 . 2]" 1
87 1 14 LYS H 1 14 LYS HG3 . . 5.430 4.173 2.991 4.864 . 0 0 "[ . 1 . 2]" 1
88 1 17 VAL HA 1 26 VAL H . . 5.420 4.773 4.598 4.914 . 0 0 "[ . 1 . 2]" 1
89 1 30 ILE MG 1 54 ILE MD . . 5.420 2.551 2.269 2.857 . 0 0 "[ . 1 . 2]" 1
90 1 51 GLY H 1 78 ILE MG . . 5.400 3.965 3.608 4.410 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL MG2 1 27 GLN HA . . 5.400 3.629 3.358 4.039 . 0 0 "[ . 1 . 2]" 1
92 1 58 VAL HA 1 71 ALA HA . . 5.390 4.991 3.388 5.359 . 0 0 "[ . 1 . 2]" 1
93 1 54 ILE MD 1 90 ALA MB . . 5.380 2.207 1.918 2.478 . 0 0 "[ . 1 . 2]" 1
94 1 36 ASN HA 1 37 PRO HG3 . . 5.380 4.458 4.346 4.714 . 0 0 "[ . 1 . 2]" 1
95 1 22 LEU HG 1 24 VAL MG1 . . 5.380 3.690 3.561 4.149 . 0 0 "[ . 1 . 2]" 1
96 1 77 GLN H 1 78 ILE HA . . 5.380 5.058 4.835 5.212 . 0 0 "[ . 1 . 2]" 1
97 1 79 THR HA 1 89 ASN H . . 5.380 5.225 5.127 5.360 . 0 0 "[ . 1 . 2]" 1
98 1 52 THR HA 1 53 ILE MD . . 5.370 4.073 2.685 4.243 . 0 0 "[ . 1 . 2]" 1
99 1 54 ILE MD 1 76 ALA MB . . 5.360 2.455 2.046 2.924 . 0 0 "[ . 1 . 2]" 1
100 1 54 ILE MD 1 76 ALA H . . 5.360 4.116 3.831 4.547 . 0 0 "[ . 1 . 2]" 1
101 1 54 ILE H 1 77 GLN H . . 5.360 4.966 4.824 5.139 . 0 0 "[ . 1 . 2]" 1
102 1 79 THR MG 1 90 ALA H . . 5.350 4.294 3.891 5.556 0.206 7 0 "[ . 1 . 2]" 1
103 1 15 ALA MB 1 90 ALA HA . . 5.350 4.153 3.906 4.416 . 0 0 "[ . 1 . 2]" 1
104 1 20 PRO HA 1 24 VAL H . . 5.350 4.697 4.382 5.034 . 0 0 "[ . 1 . 2]" 1
105 1 65 THR MG 1 70 ILE MD . . 5.340 2.728 1.889 4.214 . 0 0 "[ . 1 . 2]" 1
106 1 34 LYS H 1 52 THR MG . . 5.340 3.516 2.687 5.365 0.025 18 0 "[ . 1 . 2]" 1
107 1 17 VAL MG1 1 92 LEU H . . 5.340 3.281 2.903 3.742 . 0 0 "[ . 1 . 2]" 1
108 1 7 PRO HB2 1 8 MET ME . . 5.330 4.996 4.554 5.503 0.173 20 0 "[ . 1 . 2]" 1
109 1 32 SER H 1 55 GLU HA . . 5.330 4.809 4.457 5.136 . 0 0 "[ . 1 . 2]" 1
110 1 50 LYS HE3 1 80 ASN H . . 5.330 4.576 3.024 5.559 0.229 7 0 "[ . 1 . 2]" 1
111 1 50 LYS HE2 1 80 ASN H . . 5.330 3.935 2.588 5.448 0.118 14 0 "[ . 1 . 2]" 1
112 1 7 PRO HB2 1 10 LEU HB3 . . 5.300 4.971 3.707 5.548 0.248 18 0 "[ . 1 . 2]" 1
113 1 70 ILE MG 1 71 ALA H . . 5.300 4.328 4.216 4.404 . 0 0 "[ . 1 . 2]" 1
114 1 41 LEU HB3 1 43 THR H . . 5.290 3.434 2.248 5.410 0.120 10 0 "[ . 1 . 2]" 1
115 1 11 ARG H 1 11 ARG HD3 . . 5.290 4.294 3.665 4.739 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 11 ARG HD2 . . 5.290 4.455 3.824 4.798 . 0 0 "[ . 1 . 2]" 1
117 1 77 GLN H 1 93 LEU HG . . 5.290 4.626 3.818 5.312 0.022 19 0 "[ . 1 . 2]" 1
118 1 1 TYR H1 1 2 GLU HB2 . . 5.280 4.624 3.670 5.427 0.147 15 0 "[ . 1 . 2]" 1
119 1 78 ILE HB 1 80 ASN H . . 5.280 5.070 4.389 5.378 0.098 8 0 "[ . 1 . 2]" 1
120 1 76 ALA MB 1 92 LEU HG . . 5.280 4.100 3.049 5.208 . 0 0 "[ . 1 . 2]" 1
121 1 82 PRO HB2 1 86 GLY H . . 5.280 4.672 4.314 4.899 . 0 0 "[ . 1 . 2]" 1
122 1 58 VAL MG1 1 59 SER H . . 5.280 3.861 1.813 4.279 . 0 0 "[ . 1 . 2]" 1
123 1 41 LEU HB2 1 43 THR H . . 5.280 4.425 3.185 5.477 0.197 9 0 "[ . 1 . 2]" 1
124 1 58 VAL MG2 1 59 SER H . . 5.280 3.957 3.329 4.313 . 0 0 "[ . 1 . 2]" 1
125 1 84 ASN H 1 87 CYS H . . 5.270 5.312 4.987 5.455 0.185 7 0 "[ . 1 . 2]" 1
126 1 38 SER H 1 39 ASN HA . . 5.270 4.825 4.097 5.264 . 0 0 "[ . 1 . 2]" 1
127 1 78 ILE MG 1 90 ALA HA . . 5.270 3.951 3.639 4.258 . 0 0 "[ . 1 . 2]" 1
128 1 28 LEU HB2 1 56 VAL HB . . 5.260 4.045 2.874 5.300 0.040 17 0 "[ . 1 . 2]" 1
129 1 28 LEU H 1 28 LEU MD1 . . 5.260 3.352 2.580 4.378 . 0 0 "[ . 1 . 2]" 1
130 1 76 ALA HA 1 93 LEU MD2 . . 5.250 3.600 2.064 4.875 . 0 0 "[ . 1 . 2]" 1
131 1 21 THR H 1 22 LEU HA . . 5.250 5.261 5.135 5.338 0.088 12 0 "[ . 1 . 2]" 1
132 1 35 LYS HB3 1 36 ASN H . . 5.250 3.769 2.806 4.150 . 0 0 "[ . 1 . 2]" 1
133 1 35 LYS HB2 1 36 ASN H . . 5.250 3.202 2.518 4.414 . 0 0 "[ . 1 . 2]" 1
134 1 54 ILE H 1 55 GLU H . . 5.250 4.439 4.400 4.477 . 0 0 "[ . 1 . 2]" 1
135 1 53 ILE HG12 1 54 ILE H . . 5.250 5.131 5.058 5.260 0.010 12 0 "[ . 1 . 2]" 1
136 1 5 ILE HG12 1 34 LYS HA . . 5.250 4.412 2.491 5.274 0.024 8 0 "[ . 1 . 2]" 1
137 1 78 ILE HA 1 90 ALA H . . 5.250 4.833 4.645 5.027 . 0 0 "[ . 1 . 2]" 1
138 1 93 LEU MD1 1 94 VAL HA . . 5.250 3.637 3.098 5.286 0.036 13 0 "[ . 1 . 2]" 1
139 1 78 ILE HA 1 88 VAL MG1 . . 5.240 4.111 3.810 4.378 . 0 0 "[ . 1 . 2]" 1
140 1 56 VAL MG2 1 76 ALA H . . 5.240 3.615 3.179 4.205 . 0 0 "[ . 1 . 2]" 1
141 1 64 VAL H 1 65 THR HA . . 5.230 4.767 4.149 5.344 0.114 1 0 "[ . 1 . 2]" 1
142 1 13 LYS H 1 13 LYS HD3 . . 5.230 3.345 2.015 5.134 . 0 0 "[ . 1 . 2]" 1
143 1 77 GLN HB2 1 91 VAL MG1 . . 5.230 3.077 1.989 4.262 . 0 0 "[ . 1 . 2]" 1
144 1 52 THR H 1 78 ILE MG . . 5.220 3.878 3.467 4.201 . 0 0 "[ . 1 . 2]" 1
145 1 15 ALA HA 1 90 ALA H . . 5.220 5.309 5.219 5.433 0.213 7 0 "[ . 1 . 2]" 1
146 1 42 TYR HB3 1 43 THR H . . 5.220 3.341 2.393 4.596 . 0 0 "[ . 1 . 2]" 1
147 1 42 TYR HB2 1 43 THR H . . 5.220 3.555 2.507 4.402 . 0 0 "[ . 1 . 2]" 1
148 1 61 LEU H 1 61 LEU MD2 . . 5.220 3.113 1.639 4.640 . 0 0 "[ . 1 . 2]" 1
149 1 82 PRO HA 1 89 ASN HD22 . . 5.210 5.371 5.273 5.441 0.231 2 0 "[ . 1 . 2]" 1
150 1 43 THR MG 1 44 GLN H . . 5.210 3.351 1.840 4.308 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS H 1 13 LYS HD2 . . 5.210 3.669 1.938 4.917 . 0 0 "[ . 1 . 2]" 1
152 1 40 PRO HA 1 41 LEU HA . . 5.200 4.584 4.332 5.268 0.068 11 0 "[ . 1 . 2]" 1
153 1 64 VAL HA 1 65 THR MG . . 5.200 4.036 3.519 5.402 0.202 16 0 "[ . 1 . 2]" 1
154 1 79 THR MG 1 80 ASN H . . 5.190 4.274 4.253 4.319 . 0 0 "[ . 1 . 2]" 1
155 1 54 ILE HG12 1 78 ILE MD . . 5.180 3.288 2.559 3.993 . 0 0 "[ . 1 . 2]" 1
156 1 79 THR HB 1 91 VAL MG1 . . 5.180 3.770 3.137 4.798 . 0 0 "[ . 1 . 2]" 1
157 1 6 ARG H 1 7 PRO HA . . 5.170 4.938 4.569 5.247 0.077 17 0 "[ . 1 . 2]" 1
158 1 66 ALA H 1 68 GLY H . . 5.170 3.123 2.395 4.378 . 0 0 "[ . 1 . 2]" 1
159 1 21 THR MG 1 94 VAL MG2 . . 5.160 4.349 2.037 5.231 0.071 14 0 "[ . 1 . 2]" 1
160 1 8 MET HB3 1 9 GLY H . . 5.160 3.668 2.227 4.450 . 0 0 "[ . 1 . 2]" 1
161 1 15 ALA MB 1 88 VAL MG1 . . 5.160 2.765 2.092 3.406 . 0 0 "[ . 1 . 2]" 1
162 1 15 ALA HA 1 88 VAL MG1 . . 5.150 3.682 3.227 4.156 . 0 0 "[ . 1 . 2]" 1
163 1 68 GLY HA3 1 71 ALA MB . . 5.150 3.170 2.214 4.081 . 0 0 "[ . 1 . 2]" 1
164 1 14 LYS H 1 29 PRO HA . . 5.120 4.574 4.312 4.747 . 0 0 "[ . 1 . 2]" 1
165 1 65 THR MG 1 66 ALA H . . 5.120 2.939 1.781 3.932 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS HA 1 30 ILE H . . 5.120 4.356 3.788 5.001 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU HG 1 12 TYR H . . 5.110 3.751 1.739 5.222 0.112 20 0 "[ . 1 . 2]" 1
168 1 37 PRO HG2 1 39 ASN H . . 5.110 4.751 2.528 5.390 0.280 17 0 "[ . 1 . 2]" 1
169 1 32 SER HA 1 33 VAL MG2 . . 5.110 3.825 3.455 5.366 0.256 15 0 "[ . 1 . 2]" 1
170 1 54 ILE HB 1 76 ALA H . . 5.100 4.731 4.560 4.914 . 0 0 "[ . 1 . 2]" 1
171 1 6 ARG HB2 1 7 PRO HD3 . . 5.100 3.983 2.444 5.194 0.094 10 0 "[ . 1 . 2]" 1
172 1 68 GLY HA2 1 71 ALA MB . . 5.100 2.932 2.070 3.898 . 0 0 "[ . 1 . 2]" 1
173 1 16 ASN HA 1 27 GLN H . . 5.100 4.212 3.916 4.708 . 0 0 "[ . 1 . 2]" 1
174 1 6 ARG HB3 1 7 PRO HD3 . . 5.100 4.403 3.650 5.110 0.010 17 0 "[ . 1 . 2]" 1
175 1 76 ALA MB 1 93 LEU H . . 5.100 3.982 3.474 4.694 . 0 0 "[ . 1 . 2]" 1
176 1 53 ILE MD 1 77 GLN HB2 . . 5.090 3.716 2.451 4.648 . 0 0 "[ . 1 . 2]" 1
177 1 92 LEU HA 1 93 LEU HB3 . . 5.080 4.676 4.529 4.867 . 0 0 "[ . 1 . 2]" 1
178 1 80 ASN H 1 88 VAL MG1 . . 5.070 4.115 3.654 4.645 . 0 0 "[ . 1 . 2]" 1
179 1 93 LEU HA 1 94 VAL MG2 . . 5.070 3.545 3.314 3.742 . 0 0 "[ . 1 . 2]" 1
180 1 79 THR H 1 90 ALA MB . . 5.070 3.855 3.559 4.102 . 0 0 "[ . 1 . 2]" 1
181 1 42 TYR H 1 42 TYR HD1 . . 5.060 4.502 2.818 4.959 . 0 0 "[ . 1 . 2]" 1
182 1 88 VAL MG2 1 89 ASN H . . 5.060 4.088 4.014 4.143 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS HA 1 30 ILE MD . . 5.050 3.578 3.141 4.077 . 0 0 "[ . 1 . 2]" 1
184 1 31 LEU H 1 57 ASN H . . 5.050 4.575 4.123 4.930 . 0 0 "[ . 1 . 2]" 1
185 1 91 VAL MG1 1 92 LEU H . . 5.050 3.918 3.817 4.030 . 0 0 "[ . 1 . 2]" 1
186 1 41 LEU HG 1 49 THR H . . 5.040 4.451 2.067 5.252 0.212 13 0 "[ . 1 . 2]" 1
187 1 53 ILE MG 1 75 TYR HB2 . . 5.040 3.530 2.168 4.420 . 0 0 "[ . 1 . 2]" 1
188 1 6 ARG H 1 7 PRO HD2 . . 5.040 4.666 3.069 5.195 0.155 1 0 "[ . 1 . 2]" 1
189 1 33 VAL MG2 1 34 LYS H . . 5.030 3.671 2.395 4.072 . 0 0 "[ . 1 . 2]" 1
190 1 54 ILE HG13 1 76 ALA MB . . 5.030 2.343 2.045 2.717 . 0 0 "[ . 1 . 2]" 1
191 1 32 SER H 1 54 ILE HA . . 5.030 4.708 4.533 4.845 . 0 0 "[ . 1 . 2]" 1
192 1 38 SER HB2 1 39 ASN H . . 5.030 3.739 2.428 4.561 . 0 0 "[ . 1 . 2]" 1
193 1 38 SER HB3 1 39 ASN H . . 5.030 3.956 2.658 4.507 . 0 0 "[ . 1 . 2]" 1
194 1 5 ILE MG 1 6 ARG HA . . 5.030 3.789 3.239 4.539 . 0 0 "[ . 1 . 2]" 1
195 1 69 LYS H 1 70 ILE HA . . 5.020 5.185 5.086 5.291 0.271 10 0 "[ . 1 . 2]" 1
196 1 85 ASP HA 1 87 CYS H . . 5.010 4.395 4.202 4.665 . 0 0 "[ . 1 . 2]" 1
197 1 16 ASN H 1 27 GLN HA . . 5.010 4.467 4.251 4.905 . 0 0 "[ . 1 . 2]" 1
198 1 39 ASN H 1 40 PRO HD3 . . 5.010 3.700 2.498 4.948 . 0 0 "[ . 1 . 2]" 1
199 1 30 ILE HB 1 32 SER H . . 5.000 4.694 4.445 5.031 0.031 13 0 "[ . 1 . 2]" 1
200 1 84 ASN H 1 85 ASP HA . . 5.000 4.947 4.808 5.042 0.042 5 0 "[ . 1 . 2]" 1
201 1 14 LYS HG2 1 15 ALA H . . 5.000 3.272 2.653 4.146 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS HG3 1 15 ALA H . . 5.000 3.892 2.836 5.033 0.033 20 0 "[ . 1 . 2]" 1
203 1 1 TYR H1 1 1 TYR HD1 . . 5.000 4.448 2.372 4.976 . 0 0 "[ . 1 . 2]" 1
204 1 2 GLU HB3 1 3 ARG H . . 5.000 3.778 2.643 4.394 . 0 0 "[ . 1 . 2]" 1
205 1 5 ILE MG 1 6 ARG H . . 5.000 3.289 2.631 4.244 . 0 0 "[ . 1 . 2]" 1
206 1 66 ALA HA 1 67 SER HA . . 5.000 4.640 4.289 5.049 0.049 10 0 "[ . 1 . 2]" 1
207 1 1 TYR HA 1 3 ARG H . . 5.000 3.877 3.070 5.141 0.141 17 0 "[ . 1 . 2]" 1
208 1 5 ILE HG13 1 6 ARG H . . 5.000 4.382 2.777 5.063 0.063 10 0 "[ . 1 . 2]" 1
209 1 36 ASN HA 1 37 PRO HG2 . . 4.990 4.323 4.169 4.612 . 0 0 "[ . 1 . 2]" 1
210 1 53 ILE MG 1 75 TYR HB3 . . 4.990 2.611 2.056 3.385 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS H 1 15 ALA HA . . 4.980 4.772 4.631 4.957 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL MG1 1 18 THR HA . . 4.970 3.780 3.647 3.920 . 0 0 "[ . 1 . 2]" 1
213 1 17 VAL HB 1 26 VAL HB . . 4.960 4.443 3.762 5.154 0.194 19 0 "[ . 1 . 2]" 1
214 1 54 ILE HG12 1 76 ALA H . . 4.960 3.493 3.165 4.016 . 0 0 "[ . 1 . 2]" 1
215 1 31 LEU HB2 1 56 VAL H . . 4.950 4.648 4.356 4.884 . 0 0 "[ . 1 . 2]" 1
216 1 54 ILE HG13 1 76 ALA H . . 4.940 2.663 2.401 3.083 . 0 0 "[ . 1 . 2]" 1
217 1 41 LEU HB2 1 42 TYR H . . 4.930 3.945 2.269 4.518 . 0 0 "[ . 1 . 2]" 1
218 1 44 GLN H 1 44 GLN HG2 . . 4.930 3.484 1.988 4.520 . 0 0 "[ . 1 . 2]" 1
219 1 44 GLN HB3 1 45 LEU H . . 4.930 3.431 2.025 4.432 . 0 0 "[ . 1 . 2]" 1
220 1 44 GLN H 1 44 GLN HG3 . . 4.930 3.349 2.332 4.457 . 0 0 "[ . 1 . 2]" 1
221 1 41 LEU HB3 1 42 TYR H . . 4.930 3.184 1.801 4.385 . 0 0 "[ . 1 . 2]" 1
222 1 44 GLN HB2 1 45 LEU H . . 4.930 3.431 2.225 4.464 . 0 0 "[ . 1 . 2]" 1
223 1 32 SER HA 1 33 VAL MG1 . . 4.930 3.562 3.433 3.767 . 0 0 "[ . 1 . 2]" 1
224 1 17 VAL HB 1 28 LEU H . . 4.930 4.135 3.672 4.535 . 0 0 "[ . 1 . 2]" 1
225 1 23 ASN H 1 24 VAL HB . . 4.920 4.821 4.754 4.980 0.060 19 0 "[ . 1 . 2]" 1
226 1 5 ILE H 1 5 ILE MD . . 4.920 3.021 1.744 4.722 . 0 0 "[ . 1 . 2]" 1
227 1 56 VAL MG2 1 92 LEU HB2 . . 4.920 4.025 3.188 4.918 . 0 0 "[ . 1 . 2]" 1
228 1 54 ILE H 1 78 ILE H . . 4.910 4.333 4.176 4.463 . 0 0 "[ . 1 . 2]" 1
229 1 56 VAL MG2 1 57 ASN H . . 4.910 3.562 3.480 3.813 . 0 0 "[ . 1 . 2]" 1
230 1 55 GLU HA 1 56 VAL MG2 . . 4.910 3.698 3.620 3.798 . 0 0 "[ . 1 . 2]" 1
231 1 80 ASN H 1 88 VAL HA . . 4.910 4.944 4.735 5.136 0.226 1 0 "[ . 1 . 2]" 1
232 1 63 ILE H 1 63 ILE MD . . 4.900 3.901 3.582 4.269 . 0 0 "[ . 1 . 2]" 1
233 1 85 ASP H 1 86 GLY HA2 . . 4.900 4.514 4.310 4.741 . 0 0 "[ . 1 . 2]" 1
234 1 45 LEU HG 1 46 GLY H . . 4.890 4.427 2.382 4.967 0.077 17 0 "[ . 1 . 2]" 1
235 1 10 LEU HG 1 11 ARG H . . 4.890 4.104 2.771 5.035 0.145 9 0 "[ . 1 . 2]" 1
236 1 15 ALA H 1 30 ILE MD . . 4.890 3.475 2.463 4.057 . 0 0 "[ . 1 . 2]" 1
237 1 6 ARG H 1 7 PRO HD3 . . 4.880 4.212 2.757 4.926 0.046 13 0 "[ . 1 . 2]" 1
238 1 76 ALA MB 1 91 VAL H . . 4.880 3.212 3.001 3.408 . 0 0 "[ . 1 . 2]" 1
239 1 70 ILE HA 1 71 ALA HA . . 4.880 4.733 4.569 4.851 . 0 0 "[ . 1 . 2]" 1
240 1 30 ILE MG 1 56 VAL MG1 . . 4.880 3.085 2.580 3.658 . 0 0 "[ . 1 . 2]" 1
241 1 54 ILE H 1 54 ILE MD . . 4.880 3.940 3.842 4.001 . 0 0 "[ . 1 . 2]" 1
242 1 17 VAL MG2 1 28 LEU HB2 . . 4.870 2.727 2.173 3.575 . 0 0 "[ . 1 . 2]" 1
243 1 33 VAL MG1 1 34 LYS H . . 4.860 3.825 3.701 3.916 . 0 0 "[ . 1 . 2]" 1
244 1 90 ALA HA 1 91 VAL MG1 . . 4.860 3.660 3.593 3.710 . 0 0 "[ . 1 . 2]" 1
245 1 65 THR MG 1 70 ILE HG12 . . 4.860 3.718 1.969 5.076 0.216 18 0 "[ . 1 . 2]" 1
246 1 79 THR H 1 90 ALA H . . 4.850 4.516 4.284 4.650 . 0 0 "[ . 1 . 2]" 1
247 1 22 LEU MD1 1 23 ASN H . . 4.840 4.573 2.416 4.808 . 0 0 "[ . 1 . 2]" 1
248 1 64 VAL HA 1 65 THR HA . . 4.840 4.423 4.280 4.823 . 0 0 "[ . 1 . 2]" 1
249 1 89 ASN HA 1 90 ALA MB . . 4.840 3.900 3.872 3.928 . 0 0 "[ . 1 . 2]" 1
250 1 25 THR MG 1 26 VAL H . . 4.820 3.379 2.656 4.097 . 0 0 "[ . 1 . 2]" 1
251 1 26 VAL HB 1 61 LEU HB3 . . 4.810 4.453 2.060 4.978 0.168 6 0 "[ . 1 . 2]" 1
252 1 84 ASN H 1 86 GLY HA2 . . 4.810 4.752 4.434 4.900 0.090 5 0 "[ . 1 . 2]" 1
253 1 5 ILE HG13 1 35 LYS H . . 4.800 4.636 3.555 4.996 0.196 1 0 "[ . 1 . 2]" 1
254 1 1 TYR H1 1 1 TYR HD2 . . 4.800 3.383 2.677 5.023 0.223 6 0 "[ . 1 . 2]" 1
255 1 39 ASN H 1 40 PRO HD2 . . 4.790 3.991 2.119 5.064 0.274 6 0 "[ . 1 . 2]" 1
256 1 81 ASN H 1 82 PRO HA . . 4.790 4.379 4.271 4.467 . 0 0 "[ . 1 . 2]" 1
257 1 52 THR H 1 53 ILE H . . 4.790 4.625 4.545 4.668 . 0 0 "[ . 1 . 2]" 1
258 1 27 GLN HA 1 28 LEU HB2 . . 4.790 4.509 4.151 4.630 . 0 0 "[ . 1 . 2]" 1
259 1 83 GLU HA 1 86 GLY HA2 . . 4.780 4.677 4.239 4.870 0.090 19 0 "[ . 1 . 2]" 1
260 1 56 VAL MG1 1 57 ASN H . . 4.780 3.690 3.623 3.786 . 0 0 "[ . 1 . 2]" 1
261 1 24 VAL HA 1 25 THR HB . . 4.780 4.495 4.277 4.666 . 0 0 "[ . 1 . 2]" 1
262 1 53 ILE MD 1 54 ILE H . . 4.780 3.742 3.599 4.869 0.089 12 0 "[ . 1 . 2]" 1
263 1 54 ILE MD 1 56 VAL MG1 . . 4.780 2.221 1.983 2.484 . 0 0 "[ . 1 . 2]" 1
264 1 18 THR H 1 91 VAL HB . . 4.780 4.310 3.872 4.805 0.025 15 0 "[ . 1 . 2]" 1
265 1 5 ILE H 1 5 ILE HG13 . . 4.770 3.460 2.027 4.747 . 0 0 "[ . 1 . 2]" 1
266 1 17 VAL MG2 1 28 LEU H . . 4.760 2.773 2.517 3.097 . 0 0 "[ . 1 . 2]" 1
267 1 93 LEU HA 1 93 LEU MD1 . . 4.760 3.750 3.676 4.107 . 0 0 "[ . 1 . 2]" 1
268 1 43 THR H 1 44 GLN H . . 4.760 3.633 1.865 4.611 . 0 0 "[ . 1 . 2]" 1
269 1 28 LEU HB3 1 56 VAL HB . . 4.760 4.008 3.421 4.795 0.035 3 0 "[ . 1 . 2]" 1
270 1 22 LEU HB2 1 24 VAL HB . . 4.750 3.343 3.144 3.930 . 0 0 "[ . 1 . 2]" 1
271 1 37 PRO HG2 1 38 SER HA . . 4.750 4.500 4.035 4.819 0.069 6 0 "[ . 1 . 2]" 1
272 1 4 PHE H 1 4 PHE HD2 . . 4.740 3.318 2.189 4.826 0.086 3 0 "[ . 1 . 2]" 1
273 1 10 LEU H 1 11 ARG H . . 4.740 4.430 4.246 4.702 . 0 0 "[ . 1 . 2]" 1
274 1 10 LEU HA 1 11 ARG HA . . 4.740 4.286 4.208 4.374 . 0 0 "[ . 1 . 2]" 1
275 1 31 LEU H 1 55 GLU H . . 4.740 4.361 4.051 4.618 . 0 0 "[ . 1 . 2]" 1
276 1 21 THR HA 1 22 LEU HA . . 4.740 4.643 4.522 4.694 . 0 0 "[ . 1 . 2]" 1
277 1 44 GLN H 1 45 LEU HG . . 4.740 4.436 3.499 4.876 0.136 16 0 "[ . 1 . 2]" 1
278 1 43 THR H 1 43 THR MG . . 4.740 3.071 1.936 4.023 . 0 0 "[ . 1 . 2]" 1
279 1 70 ILE H 1 70 ILE MD . . 4.720 3.671 3.615 3.817 . 0 0 "[ . 1 . 2]" 1
280 1 50 LYS HB2 1 80 ASN H . . 4.720 3.595 3.175 4.760 0.040 1 0 "[ . 1 . 2]" 1
281 1 27 GLN HB2 1 28 LEU H . . 4.720 4.368 4.290 4.432 . 0 0 "[ . 1 . 2]" 1
282 1 66 ALA HA 1 68 GLY H . . 4.700 4.261 3.729 4.750 0.050 12 0 "[ . 1 . 2]" 1
283 1 31 LEU HA 1 31 LEU MD1 . . 4.700 2.764 1.941 3.865 . 0 0 "[ . 1 . 2]" 1
284 1 27 GLN H 1 27 GLN HG2 . . 4.700 4.468 4.428 4.532 . 0 0 "[ . 1 . 2]" 1
285 1 89 ASN H 1 89 ASN HD22 . . 4.690 4.303 3.873 4.574 . 0 0 "[ . 1 . 2]" 1
286 1 19 HIS H 1 24 VAL MG1 . . 4.690 3.267 3.091 3.501 . 0 0 "[ . 1 . 2]" 1
287 1 15 ALA HA 1 88 VAL HB . . 4.680 3.472 2.715 4.105 . 0 0 "[ . 1 . 2]" 1
288 1 1 TYR HA 1 1 TYR HD1 . . 4.670 3.162 2.640 4.281 . 0 0 "[ . 1 . 2]" 1
289 1 32 SER H 1 33 VAL H . . 4.670 4.331 4.264 4.384 . 0 0 "[ . 1 . 2]" 1
290 1 2 GLU HB2 1 3 ARG H . . 4.660 3.657 2.572 4.561 . 0 0 "[ . 1 . 2]" 1
291 1 91 VAL HB 1 92 LEU H . . 4.660 4.119 4.077 4.168 . 0 0 "[ . 1 . 2]" 1
292 1 18 THR H 1 18 THR MG . . 4.660 3.800 3.767 3.819 . 0 0 "[ . 1 . 2]" 1
293 1 58 VAL HB 1 59 SER H . . 4.660 4.375 3.856 4.552 . 0 0 "[ . 1 . 2]" 1
294 1 23 ASN HB2 1 24 VAL H . . 4.660 4.540 4.285 4.656 . 0 0 "[ . 1 . 2]" 1
295 1 1 TYR HA 1 2 GLU HA . . 4.660 4.614 4.380 4.922 0.262 13 0 "[ . 1 . 2]" 1
296 1 56 VAL MG2 1 76 ALA MB . . 4.660 2.539 2.205 2.973 . 0 0 "[ . 1 . 2]" 1
297 1 32 SER HA 1 55 GLU H . . 4.660 4.661 4.537 4.828 0.168 1 0 "[ . 1 . 2]" 1
298 1 10 LEU HB2 1 11 ARG HG2 . . 4.650 3.959 2.815 4.843 0.193 19 0 "[ . 1 . 2]" 1
299 1 65 THR H 1 66 ALA H . . 4.650 2.763 1.862 4.296 . 0 0 "[ . 1 . 2]" 1
300 1 11 ARG HG3 1 12 TYR H . . 4.650 2.402 1.873 2.964 . 0 0 "[ . 1 . 2]" 1
301 1 22 LEU MD1 1 24 VAL HB . . 4.650 4.065 2.540 4.272 . 0 0 "[ . 1 . 2]" 1
302 1 30 ILE HA 1 32 SER H . . 4.650 3.949 3.804 4.062 . 0 0 "[ . 1 . 2]" 1
303 1 80 ASN HB2 1 81 ASN H . . 4.640 3.584 3.108 4.349 . 0 0 "[ . 1 . 2]" 1
304 1 5 ILE HG12 1 35 LYS H . . 4.640 3.746 2.492 4.676 0.036 7 0 "[ . 1 . 2]" 1
305 1 80 ASN HB3 1 81 ASN H . . 4.640 4.135 3.448 4.311 . 0 0 "[ . 1 . 2]" 1
306 1 6 ARG HA 1 7 PRO HA . . 4.640 4.497 4.386 4.670 0.030 16 0 "[ . 1 . 2]" 1
307 1 84 ASN H 1 84 ASN HD21 . . 4.630 4.460 3.942 4.771 0.141 1 0 "[ . 1 . 2]" 1
308 1 69 LYS HA 1 70 ILE HA . . 4.630 4.559 4.476 4.664 0.034 20 0 "[ . 1 . 2]" 1
309 1 27 GLN HB3 1 28 LEU HA . . 4.630 4.691 4.608 4.736 0.106 1 0 "[ . 1 . 2]" 1
310 1 23 ASN HB3 1 24 VAL H . . 4.630 4.376 4.290 4.464 . 0 0 "[ . 1 . 2]" 1
311 1 27 GLN H 1 28 LEU H . . 4.630 4.431 4.360 4.498 . 0 0 "[ . 1 . 2]" 1
312 1 15 ALA MB 1 90 ALA H . . 4.620 3.494 3.294 3.692 . 0 0 "[ . 1 . 2]" 1
313 1 53 ILE H 1 53 ILE MD . . 4.620 3.410 1.994 3.654 . 0 0 "[ . 1 . 2]" 1
314 1 93 LEU H 1 93 LEU HG . . 4.620 1.899 1.716 2.350 . 0 0 "[ . 1 . 2]" 1
315 1 93 LEU H 1 94 VAL H . . 4.620 4.476 4.042 4.580 . 0 0 "[ . 1 . 2]" 1
316 1 15 ALA MB 1 30 ILE MD . . 4.620 2.033 1.796 2.499 . 0 0 "[ . 1 . 2]" 1
317 1 77 GLN HB3 1 91 VAL MG1 . . 4.620 3.042 2.036 4.392 . 0 0 "[ . 1 . 2]" 1
318 1 89 ASN H 1 89 ASN HD21 . . 4.610 3.631 2.712 4.489 . 0 0 "[ . 1 . 2]" 1
319 1 22 LEU HB3 1 23 ASN H . . 4.610 4.076 3.970 4.458 . 0 0 "[ . 1 . 2]" 1
320 1 31 LEU H 1 54 ILE HB . . 4.610 4.690 4.585 4.790 0.180 1 0 "[ . 1 . 2]" 1
321 1 27 GLN H 1 27 GLN HG3 . . 4.600 4.498 4.400 4.614 0.014 20 0 "[ . 1 . 2]" 1
322 1 18 THR MG 1 23 ASN HA . . 4.600 3.655 3.259 4.075 . 0 0 "[ . 1 . 2]" 1
323 1 81 ASN H 1 87 CYS H . . 4.600 4.446 4.117 4.652 0.052 20 0 "[ . 1 . 2]" 1
324 1 78 ILE HA 1 79 THR MG . . 4.590 3.571 3.454 3.986 . 0 0 "[ . 1 . 2]" 1
325 1 19 HIS H 1 23 ASN H . . 4.590 4.591 4.368 4.675 0.085 17 0 "[ . 1 . 2]" 1
326 1 41 LEU H 1 42 TYR H . . 4.590 4.163 1.853 4.598 0.008 11 0 "[ . 1 . 2]" 1
327 1 8 MET HB2 1 9 GLY H . . 4.590 4.176 3.509 4.612 0.022 13 0 "[ . 1 . 2]" 1
328 1 90 ALA HA 1 91 VAL HB . . 4.590 4.448 4.368 4.564 . 0 0 "[ . 1 . 2]" 1
329 1 36 ASN HA 1 38 SER H . . 4.580 3.967 3.382 4.354 . 0 0 "[ . 1 . 2]" 1
330 1 33 VAL HA 1 54 ILE HA . . 4.580 2.394 2.167 2.732 . 0 0 "[ . 1 . 2]" 1
331 1 55 GLU H 1 56 VAL H . . 4.580 4.361 4.248 4.407 . 0 0 "[ . 1 . 2]" 1
332 1 63 ILE H 1 64 VAL H . . 4.570 4.017 2.155 4.467 . 0 0 "[ . 1 . 2]" 1
333 1 17 VAL HB 1 18 THR H . . 4.570 4.225 4.174 4.291 . 0 0 "[ . 1 . 2]" 1
334 1 60 ASP HB3 1 61 LEU H . . 4.570 3.730 2.613 4.504 . 0 0 "[ . 1 . 2]" 1
335 1 60 ASP HB2 1 61 LEU H . . 4.570 3.611 2.348 4.484 . 0 0 "[ . 1 . 2]" 1
336 1 71 ALA H 1 72 TRP H . . 4.570 4.337 4.227 4.514 . 0 0 "[ . 1 . 2]" 1
337 1 4 PHE HA 1 4 PHE HD1 . . 4.570 2.893 2.574 4.299 . 0 0 "[ . 1 . 2]" 1
338 1 13 LYS H 1 13 LYS HG2 . . 4.570 3.606 1.884 4.355 . 0 0 "[ . 1 . 2]" 1
339 1 30 ILE HA 1 30 ILE MD . . 4.570 3.343 2.072 3.884 . 0 0 "[ . 1 . 2]" 1
340 1 53 ILE H 1 53 ILE MG . . 4.570 3.823 3.793 3.857 . 0 0 "[ . 1 . 2]" 1
341 1 28 LEU HA 1 28 LEU MD1 . . 4.560 2.743 2.017 3.886 . 0 0 "[ . 1 . 2]" 1
342 1 16 ASN H 1 17 VAL H . . 4.560 4.273 4.218 4.357 . 0 0 "[ . 1 . 2]" 1
343 1 28 LEU HA 1 28 LEU MD2 . . 4.560 3.421 1.987 3.911 . 0 0 "[ . 1 . 2]" 1
344 1 5 ILE H 1 5 ILE HG12 . . 4.560 4.182 3.410 4.661 0.101 20 0 "[ . 1 . 2]" 1
345 1 88 VAL H 1 89 ASN H . . 4.550 4.457 4.403 4.527 . 0 0 "[ . 1 . 2]" 1
346 1 14 LYS HB3 1 15 ALA H . . 4.550 3.559 2.724 4.255 . 0 0 "[ . 1 . 2]" 1
347 1 14 LYS HB2 1 15 ALA H . . 4.550 4.110 3.929 4.296 . 0 0 "[ . 1 . 2]" 1
348 1 81 ASN HA 1 83 GLU H . . 4.550 3.233 3.034 3.365 . 0 0 "[ . 1 . 2]" 1
349 1 57 ASN HA 1 59 SER H . . 4.540 4.404 3.142 4.806 0.266 9 0 "[ . 1 . 2]" 1
350 1 34 LYS H 1 54 ILE MG . . 4.540 3.127 2.660 3.443 . 0 0 "[ . 1 . 2]" 1
351 1 48 LEU H 1 48 LEU HG . . 4.540 3.659 1.962 4.496 . 0 0 "[ . 1 . 2]" 1
352 1 13 LYS H 1 13 LYS HG3 . . 4.540 3.445 2.339 4.454 . 0 0 "[ . 1 . 2]" 1
353 1 78 ILE HB 1 79 THR H . . 4.540 4.174 4.087 4.234 . 0 0 "[ . 1 . 2]" 1
354 1 92 LEU H 1 93 LEU H . . 4.540 4.442 4.359 4.530 . 0 0 "[ . 1 . 2]" 1
355 1 78 ILE H 1 79 THR H . . 4.530 4.421 4.365 4.485 . 0 0 "[ . 1 . 2]" 1
356 1 30 ILE HA 1 56 VAL HA . . 4.530 3.794 2.711 4.343 . 0 0 "[ . 1 . 2]" 1
357 1 34 LYS H 1 35 LYS H . . 4.530 4.254 3.867 4.385 . 0 0 "[ . 1 . 2]" 1
358 1 78 ILE H 1 78 ILE MD . . 4.530 3.546 3.304 3.743 . 0 0 "[ . 1 . 2]" 1
359 1 81 ASN H 1 89 ASN HB2 . . 4.520 3.824 3.524 4.325 . 0 0 "[ . 1 . 2]" 1
360 1 24 VAL H 1 25 THR H . . 4.520 4.329 4.267 4.395 . 0 0 "[ . 1 . 2]" 1
361 1 5 ILE HB 1 6 ARG H . . 4.520 4.260 4.029 4.470 . 0 0 "[ . 1 . 2]" 1
362 1 15 ALA H 1 16 ASN H . . 4.520 4.418 4.367 4.490 . 0 0 "[ . 1 . 2]" 1
363 1 58 VAL HA 1 61 LEU H . . 4.520 4.202 3.487 4.591 0.071 5 0 "[ . 1 . 2]" 1
364 1 87 CYS H 1 88 VAL H . . 4.510 4.408 4.345 4.457 . 0 0 "[ . 1 . 2]" 1
365 1 93 LEU HA 1 94 VAL HA . . 4.510 4.385 4.310 4.436 . 0 0 "[ . 1 . 2]" 1
366 1 14 LYS H 1 15 ALA H . . 4.510 4.290 4.154 4.396 . 0 0 "[ . 1 . 2]" 1
367 1 64 VAL HB 1 65 THR H . . 4.510 4.063 2.690 4.515 0.005 2 0 "[ . 1 . 2]" 1
368 1 22 LEU H 1 24 VAL H . . 4.500 3.854 3.535 4.105 . 0 0 "[ . 1 . 2]" 1
369 1 63 ILE HG12 1 64 VAL H . . 4.490 4.478 2.866 4.750 0.260 20 0 "[ . 1 . 2]" 1
370 1 81 ASN HA 1 84 ASN H . . 4.490 3.932 3.687 4.202 . 0 0 "[ . 1 . 2]" 1
371 1 56 VAL H 1 57 ASN H . . 4.490 4.425 4.368 4.448 . 0 0 "[ . 1 . 2]" 1
372 1 5 ILE HG12 1 35 LYS HA . . 4.480 3.892 2.331 4.583 0.103 1 0 "[ . 1 . 2]" 1
373 1 77 GLN H 1 93 LEU H . . 4.480 4.128 3.751 4.515 0.035 10 0 "[ . 1 . 2]" 1
374 1 61 LEU HB3 1 62 GLY H . . 4.480 4.022 3.550 4.456 . 0 0 "[ . 1 . 2]" 1
375 1 63 ILE HG13 1 64 VAL H . . 4.480 3.635 2.395 4.864 0.384 15 0 "[ . 1 . 2]" 1
376 1 67 SER HA 1 68 GLY HA3 . . 4.480 4.398 4.207 4.482 0.002 3 0 "[ . 1 . 2]" 1
377 1 25 THR HB 1 26 VAL H . . 4.480 4.235 4.097 4.325 . 0 0 "[ . 1 . 2]" 1
378 1 89 ASN H 1 90 ALA H . . 4.480 4.463 4.437 4.493 0.013 20 0 "[ . 1 . 2]" 1
379 1 92 LEU HB3 1 94 VAL MG1 . . 4.480 4.056 3.499 4.710 0.230 13 0 "[ . 1 . 2]" 1
380 1 76 ALA HA 1 92 LEU HA . . 4.480 2.464 2.100 2.720 . 0 0 "[ . 1 . 2]" 1
381 1 17 VAL HA 1 90 ALA MB . . 4.480 2.491 2.270 2.824 . 0 0 "[ . 1 . 2]" 1
382 1 78 ILE H 1 78 ILE MG . . 4.470 3.782 3.749 3.804 . 0 0 "[ . 1 . 2]" 1
383 1 63 ILE H 1 63 ILE HG12 . . 4.470 2.510 2.076 4.059 . 0 0 "[ . 1 . 2]" 1
384 1 30 ILE H 1 30 ILE MG . . 4.470 3.778 3.753 3.803 . 0 0 "[ . 1 . 2]" 1
385 1 19 HIS HA 1 20 PRO HA . . 4.470 4.503 4.431 4.540 0.070 6 0 "[ . 1 . 2]" 1
386 1 63 ILE H 1 63 ILE HG13 . . 4.470 2.998 2.264 4.217 . 0 0 "[ . 1 . 2]" 1
387 1 53 ILE HB 1 54 ILE H . . 4.460 4.179 4.123 4.211 . 0 0 "[ . 1 . 2]" 1
388 1 52 THR H 1 52 THR MG . . 4.460 3.623 2.418 3.805 . 0 0 "[ . 1 . 2]" 1
389 1 52 THR H 1 78 ILE HB . . 4.460 2.701 2.313 3.128 . 0 0 "[ . 1 . 2]" 1
390 1 88 VAL H 1 88 VAL MG1 . . 4.460 3.772 3.748 3.793 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE H 1 30 ILE MD . . 4.450 3.485 3.077 3.699 . 0 0 "[ . 1 . 2]" 1
392 1 31 LEU HB2 1 55 GLU H . . 4.450 4.438 4.245 4.591 0.141 8 0 "[ . 1 . 2]" 1
393 1 49 THR H 1 49 THR MG . . 4.450 2.851 1.991 3.931 . 0 0 "[ . 1 . 2]" 1
394 1 21 THR MG 1 22 LEU H . . 4.450 3.157 2.321 3.935 . 0 0 "[ . 1 . 2]" 1
395 1 79 THR MG 1 91 VAL MG1 . . 4.450 2.468 2.036 2.802 . 0 0 "[ . 1 . 2]" 1
396 1 24 VAL MG1 1 25 THR H . . 4.450 3.580 3.316 3.834 . 0 0 "[ . 1 . 2]" 1
397 1 33 VAL HA 1 55 GLU H . . 4.450 3.562 3.319 3.828 . 0 0 "[ . 1 . 2]" 1
398 1 16 ASN HA 1 27 GLN HA . . 4.450 2.015 1.796 2.564 . 0 0 "[ . 1 . 2]" 1
399 1 54 ILE MG 1 55 GLU H . . 4.450 3.601 3.457 3.711 . 0 0 "[ . 1 . 2]" 1
400 1 18 THR H 1 90 ALA H . . 4.450 3.750 3.408 4.087 . 0 0 "[ . 1 . 2]" 1
401 1 77 GLN HB3 1 78 ILE H . . 4.440 3.720 3.073 4.263 . 0 0 "[ . 1 . 2]" 1
402 1 51 GLY H 1 78 ILE H . . 4.440 3.787 3.616 3.959 . 0 0 "[ . 1 . 2]" 1
403 1 18 THR HA 1 25 THR HA . . 4.440 2.067 1.932 2.393 . 0 0 "[ . 1 . 2]" 1
404 1 70 ILE HB 1 71 ALA H . . 4.440 4.319 4.189 4.403 . 0 0 "[ . 1 . 2]" 1
405 1 31 LEU HA 1 31 LEU MD2 . . 4.430 2.710 2.012 3.799 . 0 0 "[ . 1 . 2]" 1
406 1 21 THR H 1 21 THR MG . . 4.430 3.033 1.825 3.761 . 0 0 "[ . 1 . 2]" 1
407 1 25 THR H 1 26 VAL H . . 4.430 4.298 4.242 4.353 . 0 0 "[ . 1 . 2]" 1
408 1 34 LYS H 1 34 LYS HG3 . . 4.420 3.458 2.781 4.421 0.001 13 0 "[ . 1 . 2]" 1
409 1 11 ARG H 1 11 ARG HG3 . . 4.420 3.289 3.140 3.502 . 0 0 "[ . 1 . 2]" 1
410 1 22 LEU MD1 1 24 VAL H . . 4.420 4.305 2.329 4.511 0.091 17 0 "[ . 1 . 2]" 1
411 1 34 LYS H 1 34 LYS HG2 . . 4.420 3.621 2.561 4.241 . 0 0 "[ . 1 . 2]" 1
412 1 22 LEU MD2 1 70 ILE MD . . 4.420 3.371 1.912 4.522 0.102 10 0 "[ . 1 . 2]" 1
413 1 92 LEU HG 1 93 LEU HG . . 4.410 4.360 3.496 4.551 0.141 3 0 "[ . 1 . 2]" 1
414 1 79 THR H 1 91 VAL H . . 4.410 4.108 3.750 4.434 0.024 17 0 "[ . 1 . 2]" 1
415 1 41 LEU HG 1 42 TYR H . . 4.410 4.409 3.236 4.894 0.484 2 0 "[ . 1 . 2]" 1
416 1 45 LEU H 1 46 GLY H . . 4.400 3.248 2.164 4.422 0.022 15 0 "[ . 1 . 2]" 1
417 1 11 ARG H 1 11 ARG HG2 . . 4.400 2.098 1.865 2.208 . 0 0 "[ . 1 . 2]" 1
418 1 22 LEU H 1 22 LEU MD2 . . 4.400 3.266 3.140 3.724 . 0 0 "[ . 1 . 2]" 1
419 1 16 ASN H 1 88 VAL HB . . 4.400 4.245 3.932 4.499 0.099 10 0 "[ . 1 . 2]" 1
420 1 80 ASN H 1 89 ASN H . . 4.390 4.363 4.109 4.526 0.136 14 0 "[ . 1 . 2]" 1
421 1 18 THR H 1 92 LEU H . . 4.390 3.840 3.402 4.192 . 0 0 "[ . 1 . 2]" 1
422 1 16 ASN HB2 1 89 ASN HA . . 4.390 3.159 2.242 3.974 . 0 0 "[ . 1 . 2]" 1
423 1 16 ASN HB3 1 89 ASN HA . . 4.390 2.938 1.962 4.118 . 0 0 "[ . 1 . 2]" 1
424 1 78 ILE MG 1 80 ASN H . . 4.380 2.887 2.300 3.164 . 0 0 "[ . 1 . 2]" 1
425 1 53 ILE MD 1 77 GLN HA . . 4.370 2.853 2.242 4.411 0.041 12 0 "[ . 1 . 2]" 1
426 1 5 ILE HA 1 5 ILE MD . . 4.370 3.393 2.112 3.882 . 0 0 "[ . 1 . 2]" 1
427 1 60 ASP HA 1 62 GLY H . . 4.370 3.810 3.294 4.401 0.031 2 0 "[ . 1 . 2]" 1
428 1 66 ALA MB 1 67 SER H . . 4.370 3.490 2.574 3.712 . 0 0 "[ . 1 . 2]" 1
429 1 12 TYR HA 1 12 TYR HD2 . . 4.370 4.195 3.972 4.362 . 0 0 "[ . 1 . 2]" 1
430 1 27 GLN HB3 1 28 LEU H . . 4.370 4.205 4.105 4.274 . 0 0 "[ . 1 . 2]" 1
431 1 79 THR MG 1 91 VAL H . . 4.360 3.194 2.859 3.922 . 0 0 "[ . 1 . 2]" 1
432 1 79 THR MG 1 91 VAL HB . . 4.350 3.124 2.575 3.956 . 0 0 "[ . 1 . 2]" 1
433 1 26 VAL H 1 27 GLN H . . 4.350 4.329 4.253 4.384 0.034 18 0 "[ . 1 . 2]" 1
434 1 65 THR HB 1 66 ALA H . . 4.350 3.697 2.385 4.370 0.020 16 0 "[ . 1 . 2]" 1
435 1 24 VAL HB 1 25 THR H . . 4.350 4.162 4.099 4.228 . 0 0 "[ . 1 . 2]" 1
436 1 83 GLU H 1 85 ASP H . . 4.340 4.345 4.209 4.410 0.070 10 0 "[ . 1 . 2]" 1
437 1 64 VAL H 1 65 THR H . . 4.340 3.731 1.922 4.372 0.032 19 0 "[ . 1 . 2]" 1
438 1 10 LEU H 1 10 LEU MD2 . . 4.340 2.578 1.621 3.981 . 0 0 "[ . 1 . 2]" 1
439 1 68 GLY HA2 1 71 ALA H . . 4.330 3.610 3.039 4.090 . 0 0 "[ . 1 . 2]" 1
440 1 49 THR MG 1 50 LYS H . . 4.330 3.138 1.871 3.726 . 0 0 "[ . 1 . 2]" 1
441 1 61 LEU HB2 1 62 GLY H . . 4.330 3.361 2.585 4.321 . 0 0 "[ . 1 . 2]" 1
442 1 84 ASN HD21 1 85 ASP H . . 4.330 3.651 2.892 4.413 0.083 18 0 "[ . 1 . 2]" 1
443 1 52 THR H 1 78 ILE H . . 4.330 3.224 3.037 3.351 . 0 0 "[ . 1 . 2]" 1
444 1 7 PRO HD3 1 8 MET H . . 4.330 4.048 3.764 4.717 0.387 13 0 "[ . 1 . 2]" 1
445 1 10 LEU HB2 1 12 TYR H . . 4.330 3.261 2.761 3.781 . 0 0 "[ . 1 . 2]" 1
446 1 92 LEU HG 1 93 LEU H . . 4.320 3.036 2.863 3.240 . 0 0 "[ . 1 . 2]" 1
447 1 50 LYS HA 1 80 ASN H . . 4.320 3.215 2.679 4.264 . 0 0 "[ . 1 . 2]" 1
448 1 85 ASP H 1 89 ASN HD22 . . 4.310 3.990 3.456 4.512 0.202 18 0 "[ . 1 . 2]" 1
449 1 22 LEU H 1 22 LEU MD1 . . 4.300 3.647 2.251 3.825 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU H 1 23 ASN HA . . 4.300 4.201 4.047 4.341 0.041 18 0 "[ . 1 . 2]" 1
451 1 52 THR HB 1 53 ILE H . . 4.300 3.813 2.536 4.172 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS H 1 54 ILE HA . . 4.290 3.083 2.842 3.426 . 0 0 "[ . 1 . 2]" 1
453 1 41 LEU H 1 41 LEU HG . . 4.290 3.344 2.321 4.450 0.160 12 0 "[ . 1 . 2]" 1
454 1 31 LEU H 1 56 VAL MG1 . . 4.280 3.149 2.345 3.665 . 0 0 "[ . 1 . 2]" 1
455 1 78 ILE HA 1 90 ALA HA . . 4.280 2.319 2.102 2.576 . 0 0 "[ . 1 . 2]" 1
456 1 56 VAL H 1 56 VAL MG1 . . 4.280 2.973 2.910 3.036 . 0 0 "[ . 1 . 2]" 1
457 1 54 ILE H 1 54 ILE MG . . 4.270 2.962 2.837 3.102 . 0 0 "[ . 1 . 2]" 1
458 1 82 PRO HA 1 85 ASP H . . 4.270 3.995 3.599 4.306 0.036 18 0 "[ . 1 . 2]" 1
459 1 11 ARG H 1 12 TYR H . . 4.270 2.665 2.330 3.040 . 0 0 "[ . 1 . 2]" 1
460 1 41 LEU HA 1 43 THR H . . 4.260 3.881 3.300 4.391 0.131 4 0 "[ . 1 . 2]" 1
461 1 30 ILE MG 1 54 ILE HB . . 4.250 1.968 1.806 2.206 . 0 0 "[ . 1 . 2]" 1
462 1 50 LYS HB3 1 51 GLY H . . 4.250 3.806 3.669 3.984 . 0 0 "[ . 1 . 2]" 1
463 1 48 LEU HG 1 49 THR H . . 4.240 3.744 2.463 4.566 0.326 18 0 "[ . 1 . 2]" 1
464 1 63 ILE HB 1 64 VAL H . . 4.240 2.530 1.704 4.296 0.056 16 0 "[ . 1 . 2]" 1
465 1 75 TYR HB3 1 76 ALA H . . 4.240 3.089 2.769 3.973 . 0 0 "[ . 1 . 2]" 1
466 1 17 VAL H 1 28 LEU H . . 4.240 3.265 2.921 3.646 . 0 0 "[ . 1 . 2]" 1
467 1 75 TYR HB2 1 76 ALA H . . 4.240 3.844 2.686 4.152 . 0 0 "[ . 1 . 2]" 1
468 1 61 LEU HB2 1 63 ILE H . . 4.230 3.268 2.529 4.422 0.192 13 0 "[ . 1 . 2]" 1
469 1 3 ARG H 1 3 ARG HG2 . . 4.230 2.964 1.951 4.465 0.235 20 0 "[ . 1 . 2]" 1
470 1 3 ARG H 1 3 ARG HG3 . . 4.220 3.238 2.322 4.422 0.202 5 0 "[ . 1 . 2]" 1
471 1 15 ALA H 1 30 ILE H . . 4.220 4.305 4.151 4.405 0.185 1 0 "[ . 1 . 2]" 1
472 1 89 ASN HB2 1 90 ALA H . . 4.220 3.763 3.507 3.935 . 0 0 "[ . 1 . 2]" 1
473 1 32 SER HB3 1 33 VAL H . . 4.220 3.381 2.602 3.947 . 0 0 "[ . 1 . 2]" 1
474 1 77 GLN H 1 91 VAL MG1 . . 4.210 2.974 2.748 3.262 . 0 0 "[ . 1 . 2]" 1
475 1 43 THR H 1 43 THR HB . . 4.200 3.397 2.543 4.124 . 0 0 "[ . 1 . 2]" 1
476 1 18 THR HA 1 24 VAL H . . 4.200 4.394 4.182 4.511 0.311 9 0 "[ . 1 . 2]" 1
477 1 7 PRO HD2 1 8 MET H . . 4.190 2.914 2.428 4.257 0.067 13 0 "[ . 1 . 2]" 1
478 1 32 SER HB2 1 33 VAL H . . 4.190 3.783 2.455 4.067 . 0 0 "[ . 1 . 2]" 1
479 1 26 VAL HB 1 27 GLN H . . 4.190 3.651 2.707 4.192 0.002 6 0 "[ . 1 . 2]" 1
480 1 44 GLN H 1 44 GLN HB2 . . 4.180 2.892 2.398 4.110 . 0 0 "[ . 1 . 2]" 1
481 1 44 GLN H 1 44 GLN HB3 . . 4.180 3.284 2.508 4.087 . 0 0 "[ . 1 . 2]" 1
482 1 17 VAL HB 1 26 VAL H . . 4.170 3.574 3.204 3.862 . 0 0 "[ . 1 . 2]" 1
483 1 50 LYS HA 1 52 THR H . . 4.170 3.081 2.974 3.166 . 0 0 "[ . 1 . 2]" 1
484 1 21 THR H 1 22 LEU HG . . 4.160 4.086 3.862 4.199 0.039 12 0 "[ . 1 . 2]" 1
485 1 19 HIS HA 1 21 THR H . . 4.160 3.753 3.495 3.985 . 0 0 "[ . 1 . 2]" 1
486 1 69 LYS HA 1 71 ALA H . . 4.160 3.685 3.412 4.139 . 0 0 "[ . 1 . 2]" 1
487 1 94 VAL H 1 94 VAL MG1 . . 4.150 3.005 2.564 3.721 . 0 0 "[ . 1 . 2]" 1
488 1 21 THR HB 1 22 LEU H . . 4.150 3.183 2.519 4.177 0.027 2 0 "[ . 1 . 2]" 1
489 1 56 VAL H 1 75 TYR HA . . 4.140 3.088 2.697 3.649 . 0 0 "[ . 1 . 2]" 1
490 1 50 LYS H 1 50 LYS HG2 . . 4.140 1.987 1.869 2.262 . 0 0 "[ . 1 . 2]" 1
491 1 13 LYS HA 1 13 LYS HD3 . . 4.130 3.551 2.037 4.548 0.418 16 0 "[ . 1 . 2]" 1
492 1 69 LYS HB3 1 69 LYS HD2 . . 4.130 3.137 2.291 3.859 . 0 0 "[ . 1 . 2]" 1
493 1 13 LYS HA 1 13 LYS HD2 . . 4.130 3.555 2.298 4.531 0.401 18 0 "[ . 1 . 2]" 1
494 1 51 GLY H 1 79 THR HA . . 4.130 3.298 3.081 3.594 . 0 0 "[ . 1 . 2]" 1
495 1 69 LYS HB3 1 69 LYS HD3 . . 4.130 2.993 2.407 3.681 . 0 0 "[ . 1 . 2]" 1
496 1 69 LYS HB2 1 69 LYS HD2 . . 4.130 3.177 2.449 3.687 . 0 0 "[ . 1 . 2]" 1
497 1 69 LYS HB2 1 69 LYS HD3 . . 4.130 3.018 2.314 3.851 . 0 0 "[ . 1 . 2]" 1
498 1 18 THR HA 1 26 VAL H . . 4.120 3.478 3.076 3.767 . 0 0 "[ . 1 . 2]" 1
499 1 20 PRO HB2 1 21 THR H . . 4.100 3.226 2.572 3.603 . 0 0 "[ . 1 . 2]" 1
500 1 3 ARG HA 1 3 ARG HG3 . . 4.100 3.433 2.307 3.824 . 0 0 "[ . 1 . 2]" 1
501 1 10 LEU H 1 10 LEU HG . . 4.090 3.193 1.825 4.190 0.100 9 0 "[ . 1 . 2]" 1
502 1 69 LYS H 1 69 LYS HB3 . . 4.090 2.644 2.476 3.877 . 0 0 "[ . 1 . 2]" 1
503 1 69 LYS H 1 69 LYS HB2 . . 4.090 3.067 2.171 3.663 . 0 0 "[ . 1 . 2]" 1
504 1 70 ILE H 1 70 ILE MG . . 4.090 2.688 2.416 3.140 . 0 0 "[ . 1 . 2]" 1
505 1 39 ASN H 1 39 ASN HB2 . . 4.080 2.888 2.427 4.006 . 0 0 "[ . 1 . 2]" 1
506 1 78 ILE HA 1 90 ALA MB . . 4.080 2.867 2.664 3.081 . 0 0 "[ . 1 . 2]" 1
507 1 1 TYR H1 1 1 TYR HB3 . . 4.080 3.539 2.506 4.167 0.087 19 0 "[ . 1 . 2]" 1
508 1 85 ASP HB2 1 87 CYS H . . 4.080 3.473 2.400 4.191 0.111 14 0 "[ . 1 . 2]" 1
509 1 16 ASN H 1 90 ALA H . . 4.080 3.582 3.471 3.701 . 0 0 "[ . 1 . 2]" 1
510 1 1 TYR H1 1 1 TYR HB2 . . 4.080 3.076 2.301 3.713 . 0 0 "[ . 1 . 2]" 1
511 1 53 ILE H 1 53 ILE HG13 . . 4.080 3.918 3.549 4.130 0.050 15 0 "[ . 1 . 2]" 1
512 1 26 VAL H 1 26 VAL HB . . 4.080 3.147 2.688 3.846 . 0 0 "[ . 1 . 2]" 1
513 1 80 ASN H 1 80 ASN HB3 . . 4.070 2.839 2.528 3.612 . 0 0 "[ . 1 . 2]" 1
514 1 71 ALA MB 1 72 TRP H . . 4.070 3.347 3.131 3.397 . 0 0 "[ . 1 . 2]" 1
515 1 80 ASN H 1 80 ASN HB2 . . 4.070 3.408 2.418 3.688 . 0 0 "[ . 1 . 2]" 1
516 1 31 LEU H 1 56 VAL HA . . 4.060 2.916 2.560 3.221 . 0 0 "[ . 1 . 2]" 1
517 1 70 ILE HA 1 70 ILE HG13 . . 4.050 3.639 3.602 3.665 . 0 0 "[ . 1 . 2]" 1
518 1 53 ILE H 1 53 ILE HG12 . . 4.050 2.629 2.394 4.107 0.057 12 0 "[ . 1 . 2]" 1
519 1 17 VAL MG1 1 18 THR H . . 4.050 2.821 2.718 2.929 . 0 0 "[ . 1 . 2]" 1
520 1 70 ILE HG13 1 71 ALA H . . 4.050 3.358 2.971 3.900 . 0 0 "[ . 1 . 2]" 1
521 1 82 PRO HA 1 84 ASN H . . 4.040 4.030 3.795 4.194 0.154 10 0 "[ . 1 . 2]" 1
522 1 3 ARG HA 1 3 ARG HG2 . . 4.040 3.014 2.465 3.788 . 0 0 "[ . 1 . 2]" 1
523 1 32 SER H 1 54 ILE HB . . 4.040 3.973 3.753 4.099 0.059 7 0 "[ . 1 . 2]" 1
524 1 22 LEU H 1 22 LEU HB3 . . 4.040 3.648 3.384 3.715 . 0 0 "[ . 1 . 2]" 1
525 1 16 ASN HA 1 28 LEU H . . 4.040 3.529 3.149 4.155 0.115 20 0 "[ . 1 . 2]" 1
526 1 13 LYS H 1 14 LYS H . . 4.030 3.826 2.517 4.296 0.266 12 0 "[ . 1 . 2]" 1
527 1 52 THR MG 1 53 ILE H . . 4.020 2.572 2.286 3.683 . 0 0 "[ . 1 . 2]" 1
528 1 85 ASP H 1 87 CYS H . . 4.020 3.874 3.587 4.188 0.168 18 0 "[ . 1 . 2]" 1
529 1 22 LEU HB2 1 23 ASN H . . 4.020 3.027 2.846 4.006 . 0 0 "[ . 1 . 2]" 1
530 1 54 ILE H 1 76 ALA H . . 4.020 2.895 2.650 3.103 . 0 0 "[ . 1 . 2]" 1
531 1 77 GLN H 1 92 LEU HA . . 4.020 3.524 3.161 3.797 . 0 0 "[ . 1 . 2]" 1
532 1 43 THR HB 1 44 GLN H . . 4.010 3.283 1.842 4.265 0.255 17 0 "[ . 1 . 2]" 1
533 1 41 LEU H 1 41 LEU HB3 . . 4.010 3.569 2.520 4.125 0.115 17 0 "[ . 1 . 2]" 1
534 1 5 ILE HA 1 5 ILE HG13 . . 4.010 2.685 2.444 3.173 . 0 0 "[ . 1 . 2]" 1
535 1 33 VAL H 1 33 VAL HB . . 4.010 3.745 3.220 3.856 . 0 0 "[ . 1 . 2]" 1
536 1 70 ILE H 1 71 ALA H . . 4.010 2.540 2.321 2.699 . 0 0 "[ . 1 . 2]" 1
537 1 33 VAL HA 1 54 ILE MG . . 4.010 2.227 1.900 2.549 . 0 0 "[ . 1 . 2]" 1
538 1 78 ILE HA 1 91 VAL H . . 4.010 3.751 3.490 4.014 0.004 17 0 "[ . 1 . 2]" 1
539 1 51 GLY H 1 78 ILE HB . . 4.000 3.623 3.357 4.034 0.034 19 0 "[ . 1 . 2]" 1
540 1 79 THR MG 1 90 ALA HA . . 4.000 2.957 2.623 3.841 . 0 0 "[ . 1 . 2]" 1
541 1 45 LEU HA 1 45 LEU HG . . 4.000 3.327 2.913 3.702 . 0 0 "[ . 1 . 2]" 1
542 1 66 ALA H 1 67 SER H . . 4.000 2.857 1.534 4.028 0.028 11 0 "[ . 1 . 2]" 1
543 1 33 VAL HB 1 34 LYS H . . 4.000 3.042 2.807 4.063 0.063 15 0 "[ . 1 . 2]" 1
544 1 56 VAL H 1 56 VAL HB . . 3.990 3.844 3.806 3.868 . 0 0 "[ . 1 . 2]" 1
545 1 82 PRO HB2 1 83 GLU H . . 3.990 3.437 2.880 3.796 . 0 0 "[ . 1 . 2]" 1
546 1 63 ILE H 1 63 ILE HB . . 3.980 3.626 2.503 3.860 . 0 0 "[ . 1 . 2]" 1
547 1 58 VAL H 1 59 SER H . . 3.970 3.510 2.391 3.921 . 0 0 "[ . 1 . 2]" 1
548 1 57 ASN H 1 57 ASN HB2 . . 3.960 2.867 2.447 3.710 . 0 0 "[ . 1 . 2]" 1
549 1 57 ASN H 1 57 ASN HB3 . . 3.960 2.768 2.471 3.669 . 0 0 "[ . 1 . 2]" 1
550 1 62 GLY H 1 63 ILE H . . 3.960 2.706 2.249 3.890 . 0 0 "[ . 1 . 2]" 1
551 1 68 GLY HA2 1 70 ILE H . . 3.950 3.472 3.060 3.865 . 0 0 "[ . 1 . 2]" 1
552 1 94 VAL H 1 94 VAL HB . . 3.950 3.751 2.900 3.886 . 0 0 "[ . 1 . 2]" 1
553 1 87 CYS HB3 1 88 VAL H . . 3.940 2.876 2.127 3.662 . 0 0 "[ . 1 . 2]" 1
554 1 87 CYS HB2 1 88 VAL H . . 3.940 3.407 2.133 3.882 . 0 0 "[ . 1 . 2]" 1
555 1 53 ILE HA 1 53 ILE MD . . 3.930 2.109 2.030 3.141 . 0 0 "[ . 1 . 2]" 1
556 1 30 ILE HA 1 56 VAL MG1 . . 3.930 2.535 2.100 3.234 . 0 0 "[ . 1 . 2]" 1
557 1 87 CYS H 1 87 CYS HB2 . . 3.930 3.073 2.669 3.968 0.038 5 0 "[ . 1 . 2]" 1
558 1 65 THR H 1 65 THR HB . . 3.920 3.100 2.473 3.698 . 0 0 "[ . 1 . 2]" 1
559 1 18 THR MG 1 19 HIS H . . 3.920 2.726 2.661 2.804 . 0 0 "[ . 1 . 2]" 1
560 1 49 THR HB 1 50 LYS H . . 3.920 2.942 1.885 3.979 0.059 19 0 "[ . 1 . 2]" 1
561 1 52 THR HB 1 78 ILE MD . . 3.920 3.222 2.094 4.059 0.139 5 0 "[ . 1 . 2]" 1
562 1 7 PRO HB3 1 8 MET H . . 3.910 3.707 3.183 3.993 0.083 9 0 "[ . 1 . 2]" 1
563 1 15 ALA H 1 29 PRO HA . . 3.910 3.716 3.354 3.995 0.085 20 0 "[ . 1 . 2]" 1
564 1 14 LYS HA 1 30 ILE H . . 3.910 2.724 2.493 3.169 . 0 0 "[ . 1 . 2]" 1
565 1 33 VAL H 1 33 VAL MG2 . . 3.910 2.316 2.038 3.909 . 0 0 "[ . 1 . 2]" 1
566 1 89 ASN H 1 89 ASN HB3 . . 3.910 3.702 3.641 3.745 . 0 0 "[ . 1 . 2]" 1
567 1 87 CYS H 1 89 ASN HD22 . . 3.900 3.538 3.018 3.927 0.027 4 0 "[ . 1 . 2]" 1
568 1 9 GLY H 1 10 LEU H . . 3.900 3.310 2.490 4.141 0.241 10 0 "[ . 1 . 2]" 1
569 1 28 LEU H 1 28 LEU HB3 . . 3.900 3.626 2.738 3.811 . 0 0 "[ . 1 . 2]" 1
570 1 45 LEU H 1 45 LEU HG . . 3.890 2.582 1.757 3.280 . 0 0 "[ . 1 . 2]" 1
571 1 76 ALA HA 1 93 LEU H . . 3.880 2.973 2.449 3.766 . 0 0 "[ . 1 . 2]" 1
572 1 41 LEU H 1 41 LEU HB2 . . 3.880 2.570 2.301 3.391 . 0 0 "[ . 1 . 2]" 1
573 1 17 VAL HA 1 90 ALA H . . 3.870 2.907 2.694 3.128 . 0 0 "[ . 1 . 2]" 1
574 1 50 LYS HB2 1 51 GLY H . . 3.860 2.684 2.566 2.885 . 0 0 "[ . 1 . 2]" 1
575 1 53 ILE H 1 53 ILE HB . . 3.860 2.560 2.503 2.628 . 0 0 "[ . 1 . 2]" 1
576 1 93 LEU H 1 93 LEU HB2 . . 3.860 3.619 3.549 3.676 . 0 0 "[ . 1 . 2]" 1
577 1 17 VAL H 1 26 VAL H . . 3.860 3.392 3.124 3.685 . 0 0 "[ . 1 . 2]" 1
578 1 70 ILE H 1 70 ILE HB . . 3.850 3.635 3.601 3.719 . 0 0 "[ . 1 . 2]" 1
579 1 32 SER H 1 55 GLU H . . 3.850 2.791 2.583 3.012 . 0 0 "[ . 1 . 2]" 1
580 1 30 ILE MG 1 31 LEU H . . 3.840 2.875 2.682 3.169 . 0 0 "[ . 1 . 2]" 1
581 1 77 GLN H 1 77 GLN HB3 . . 3.840 3.088 2.425 3.743 . 0 0 "[ . 1 . 2]" 1
582 1 89 ASN HB3 1 90 ALA H . . 3.840 2.769 2.674 2.913 . 0 0 "[ . 1 . 2]" 1
583 1 51 GLY H 1 52 THR H . . 3.840 2.081 1.937 2.293 . 0 0 "[ . 1 . 2]" 1
584 1 93 LEU HB2 1 94 VAL H . . 3.840 3.061 2.696 3.902 0.062 13 0 "[ . 1 . 2]" 1
585 1 4 PHE H 1 4 PHE HB3 . . 3.840 3.350 2.505 3.771 . 0 0 "[ . 1 . 2]" 1
586 1 17 VAL H 1 27 GLN HA . . 3.830 2.589 2.215 2.880 . 0 0 "[ . 1 . 2]" 1
587 1 87 CYS H 1 87 CYS HB3 . . 3.830 3.486 2.887 3.840 0.010 13 0 "[ . 1 . 2]" 1
588 1 85 ASP HB3 1 86 GLY H . . 3.830 3.130 2.583 3.872 0.042 15 0 "[ . 1 . 2]" 1
589 1 79 THR H 1 80 ASN H . . 3.820 3.761 3.516 3.873 0.053 20 0 "[ . 1 . 2]" 1
590 1 93 LEU H 1 93 LEU MD2 . . 3.820 3.164 1.785 3.518 . 0 0 "[ . 1 . 2]" 1
591 1 77 GLN H 1 91 VAL H . . 3.820 2.943 2.789 3.294 . 0 0 "[ . 1 . 2]" 1
592 1 64 VAL H 1 64 VAL HB . . 3.810 3.386 2.607 3.857 0.047 4 0 "[ . 1 . 2]" 1
593 1 61 LEU H 1 61 LEU HB2 . . 3.810 3.021 2.415 3.728 . 0 0 "[ . 1 . 2]" 1
594 1 84 ASN H 1 86 GLY H . . 3.810 3.228 2.921 3.420 . 0 0 "[ . 1 . 2]" 1
595 1 78 ILE H 1 78 ILE HB . . 3.800 2.491 2.437 2.533 . 0 0 "[ . 1 . 2]" 1
596 1 89 ASN H 1 89 ASN HB2 . . 3.800 2.585 2.470 2.818 . 0 0 "[ . 1 . 2]" 1
597 1 85 ASP HB2 1 86 GLY H . . 3.780 3.442 2.823 3.867 0.087 7 0 "[ . 1 . 2]" 1
598 1 78 ILE MG 1 88 VAL MG1 . . 3.770 2.146 1.912 2.288 . 0 0 "[ . 1 . 2]" 1
599 1 91 VAL H 1 91 VAL HB . . 3.770 3.144 2.992 3.259 . 0 0 "[ . 1 . 2]" 1
600 1 65 THR H 1 65 THR MG . . 3.760 2.315 1.835 3.739 . 0 0 "[ . 1 . 2]" 1
601 1 10 LEU HB2 1 11 ARG H . . 3.760 2.746 1.705 3.794 0.034 19 0 "[ . 1 . 2]" 1
602 1 76 ALA MB 1 92 LEU HA . . 3.760 2.598 2.261 3.094 . 0 0 "[ . 1 . 2]" 1
603 1 61 LEU H 1 62 GLY H . . 3.750 2.649 2.328 2.847 . 0 0 "[ . 1 . 2]" 1
604 1 79 THR HA 1 79 THR MG . . 3.750 3.097 2.286 3.238 . 0 0 "[ . 1 . 2]" 1
605 1 56 VAL HB 1 57 ASN H . . 3.730 2.564 2.443 2.894 . 0 0 "[ . 1 . 2]" 1
606 1 82 PRO HA 1 86 GLY H . . 3.720 2.228 1.966 2.417 . 0 0 "[ . 1 . 2]" 1
607 1 78 ILE MG 1 79 THR H . . 3.710 2.715 2.590 2.880 . 0 0 "[ . 1 . 2]" 1
608 1 15 ALA MB 1 16 ASN H . . 3.710 2.573 2.446 2.804 . 0 0 "[ . 1 . 2]" 1
609 1 16 ASN H 1 16 ASN HB3 . . 3.700 2.967 2.446 3.652 . 0 0 "[ . 1 . 2]" 1
610 1 16 ASN H 1 16 ASN HB2 . . 3.700 2.558 2.424 2.691 . 0 0 "[ . 1 . 2]" 1
611 1 7 PRO HD2 1 9 GLY H . . 3.700 3.363 2.457 3.930 0.230 1 0 "[ . 1 . 2]" 1
612 1 16 ASN H 1 89 ASN HA . . 3.700 2.598 2.300 2.729 . 0 0 "[ . 1 . 2]" 1
613 1 88 VAL MG1 1 89 ASN H . . 3.690 2.800 2.685 2.907 . 0 0 "[ . 1 . 2]" 1
614 1 22 LEU MD1 1 24 VAL MG1 . . 3.680 2.287 1.764 2.372 . 0 0 "[ . 1 . 2]" 1
615 1 76 ALA MB 1 92 LEU HB2 . . 3.680 3.148 2.333 3.712 0.032 13 0 "[ . 1 . 2]" 1
616 1 4 PHE H 1 4 PHE HB2 . . 3.670 2.625 2.394 3.651 . 0 0 "[ . 1 . 2]" 1
617 1 79 THR H 1 90 ALA HA . . 3.670 2.579 2.150 2.794 . 0 0 "[ . 1 . 2]" 1
618 1 54 ILE HB 1 55 GLU H . . 3.670 2.408 2.257 2.566 . 0 0 "[ . 1 . 2]" 1
619 1 31 LEU H 1 31 LEU HB2 . . 3.660 2.362 2.192 2.465 . 0 0 "[ . 1 . 2]" 1
620 1 41 LEU HA 1 41 LEU HG . . 3.660 2.769 2.400 3.149 . 0 0 "[ . 1 . 2]" 1
621 1 15 ALA MB 1 90 ALA MB . . 3.640 2.219 2.030 2.467 . 0 0 "[ . 1 . 2]" 1
622 1 70 ILE H 1 70 ILE HG13 . . 3.620 2.570 2.375 2.808 . 0 0 "[ . 1 . 2]" 1
623 1 50 LYS H 1 50 LYS HB2 . . 3.620 3.581 3.550 3.618 . 0 0 "[ . 1 . 2]" 1
624 1 88 VAL H 1 88 VAL MG2 . . 3.620 2.245 2.203 2.374 . 0 0 "[ . 1 . 2]" 1
625 1 56 VAL HA 1 56 VAL MG1 . . 3.620 2.356 2.343 2.366 . 0 0 "[ . 1 . 2]" 1
626 1 21 THR H 1 23 ASN H . . 3.610 3.617 3.489 3.717 0.107 18 0 "[ . 1 . 2]" 1
627 1 85 ASP HB3 1 87 CYS H . . 3.610 2.742 2.245 3.392 . 0 0 "[ . 1 . 2]" 1
628 1 77 GLN H 1 77 GLN HB2 . . 3.600 2.777 2.404 3.737 0.137 8 0 "[ . 1 . 2]" 1
629 1 66 ALA H 1 66 ALA MB . . 3.600 2.671 2.254 3.062 . 0 0 "[ . 1 . 2]" 1
630 1 28 LEU H 1 28 LEU HB2 . . 3.600 2.709 2.521 3.105 . 0 0 "[ . 1 . 2]" 1
631 1 17 VAL H 1 17 VAL HB . . 3.590 2.523 2.466 2.566 . 0 0 "[ . 1 . 2]" 1
632 1 79 THR H 1 79 THR MG . . 3.590 2.316 2.131 3.027 . 0 0 "[ . 1 . 2]" 1
633 1 76 ALA H 1 76 ALA MB . . 3.590 2.518 2.431 2.588 . 0 0 "[ . 1 . 2]" 1
634 1 17 VAL HA 1 17 VAL MG2 . . 3.590 2.421 2.384 2.455 . 0 0 "[ . 1 . 2]" 1
635 1 7 PRO HB2 1 8 MET H . . 3.590 2.354 1.543 3.130 . 0 0 "[ . 1 . 2]" 1
636 1 70 ILE H 1 70 ILE HG12 . . 3.580 2.038 1.921 2.320 . 0 0 "[ . 1 . 2]" 1
637 1 61 LEU HA 1 62 GLY H . . 3.580 3.351 2.952 3.531 . 0 0 "[ . 1 . 2]" 1
638 1 22 LEU HA 1 23 ASN H . . 3.570 3.352 3.257 3.389 . 0 0 "[ . 1 . 2]" 1
639 1 37 PRO HG2 1 38 SER H . . 3.570 2.495 2.038 2.941 . 0 0 "[ . 1 . 2]" 1
640 1 22 LEU HB3 1 22 LEU MD2 . . 3.570 2.389 2.258 2.415 . 0 0 "[ . 1 . 2]" 1
641 1 22 LEU HG 1 23 ASN H . . 3.570 3.953 3.681 4.052 0.482 15 0 "[ . 1 . 2]" 1
642 1 30 ILE H 1 30 ILE HB . . 3.560 2.526 2.471 2.618 . 0 0 "[ . 1 . 2]" 1
643 1 60 ASP HA 1 61 LEU H . . 3.560 3.312 3.008 3.549 . 0 0 "[ . 1 . 2]" 1
644 1 3 ARG HA 1 4 PHE H . . 3.560 2.672 2.124 3.470 . 0 0 "[ . 1 . 2]" 1
645 1 52 THR N 1 78 ILE O . . 2.700 3.591 3.561 3.627 0.927 14 20 [**********-**+******] 1
646 1 83 GLU HA 1 84 ASN H . . 3.550 3.474 3.362 3.533 . 0 0 "[ . 1 . 2]" 1
647 1 6 ARG HA 1 7 PRO HD2 . . 3.540 2.470 1.853 3.311 . 0 0 "[ . 1 . 2]" 1
648 1 20 PRO HA 1 23 ASN H . . 3.540 3.372 3.100 3.640 0.100 8 0 "[ . 1 . 2]" 1
649 1 88 VAL H 1 88 VAL HB . . 3.530 2.491 2.453 2.513 . 0 0 "[ . 1 . 2]" 1
650 1 76 ALA MB 1 77 GLN H . . 3.530 2.505 2.252 2.738 . 0 0 "[ . 1 . 2]" 1
651 1 70 ILE HA 1 70 ILE MG . . 3.520 2.284 2.247 2.319 . 0 0 "[ . 1 . 2]" 1
652 1 31 LEU HB2 1 32 SER H . . 3.520 2.664 2.544 2.782 . 0 0 "[ . 1 . 2]" 1
653 1 83 GLU HB2 1 84 ASN H . . 3.520 2.916 2.697 3.284 . 0 0 "[ . 1 . 2]" 1
654 1 8 MET HA 1 9 GLY H . . 3.510 3.057 2.248 3.520 0.010 14 0 "[ . 1 . 2]" 1
655 1 69 LYS HA 1 70 ILE H . . 3.510 3.403 3.293 3.486 . 0 0 "[ . 1 . 2]" 1
656 1 54 ILE O 1 76 ALA N . . 2.700 2.827 2.733 2.973 0.273 17 0 "[ . 1 . 2]" 1
657 1 17 VAL O 1 26 VAL N . . 2.700 2.810 2.737 2.931 0.231 2 0 "[ . 1 . 2]" 1
658 1 77 GLN N 1 91 VAL O . . 2.700 2.812 2.721 2.947 0.247 8 0 "[ . 1 . 2]" 1
659 1 15 ALA N 1 28 LEU O . . 2.700 2.999 2.864 3.432 0.732 20 1 "[ . 1 . +]" 1
660 1 16 ASN N 1 88 VAL O . . 2.700 3.109 2.866 3.491 0.791 10 8 "[ - * + ***.* *2]" 1
661 1 77 GLN O 1 91 VAL N . . 2.700 2.820 2.745 2.938 0.238 4 0 "[ . 1 . 2]" 1
662 1 34 LYS O 1 53 ILE N . . 2.700 3.372 3.117 3.511 0.811 17 17 "[****-***** ****+* *]" 1
663 1 16 ASN O 1 90 ALA N . . 2.700 2.714 2.689 2.768 0.068 17 0 "[ . 1 . 2]" 1
664 1 79 THR O 1 89 ASN N . . 2.700 3.368 3.207 3.456 0.756 19 20 [*****-************+*] 1
665 1 32 SER N 1 55 GLU O . . 2.700 3.423 3.202 3.514 0.814 19 20 [*-****************+*] 1
666 1 32 SER O 1 55 GLU N . . 2.700 2.833 2.720 2.993 0.293 2 0 "[ . 1 . 2]" 1
667 1 58 VAL O 1 72 TRP N . . 2.700 3.293 2.804 3.535 0.835 13 15 "[*** ** -*1**+ **** *]" 1
668 1 33 VAL HA 1 34 LYS H . . 3.500 2.213 2.164 2.281 . 0 0 "[ . 1 . 2]" 1
669 1 54 ILE N 1 76 ALA O . . 2.700 2.852 2.750 3.007 0.307 7 0 "[ . 1 . 2]" 1
670 1 52 THR O 1 78 ILE N . . 2.700 2.722 2.671 2.789 0.089 4 0 "[ . 1 . 2]" 1
671 1 34 LYS N 1 53 ILE O . . 2.700 2.808 2.694 3.069 0.369 4 0 "[ . 1 . 2]" 1
672 1 15 ALA O 1 28 LEU N . . 2.700 2.953 2.794 3.398 0.698 20 1 "[ . 1 . +]" 1
673 1 17 VAL N 1 26 VAL O . . 2.700 2.788 2.703 2.853 0.153 14 0 "[ . 1 . 2]" 1
674 1 79 THR N 1 89 ASN O . . 2.700 2.740 2.710 2.772 0.072 20 0 "[ . 1 . 2]" 1
675 1 58 VAL N 1 72 TRP O . . 2.700 3.022 2.763 3.422 0.722 17 5 "[- . * * . +* 2]" 1
676 1 18 THR N 1 90 ALA O . . 2.700 2.837 2.717 3.033 0.333 18 0 "[ . 1 . 2]" 1
677 1 56 VAL N 1 74 ARG O . . 2.700 2.851 2.725 3.218 0.518 20 1 "[ . 1 . +]" 1
678 1 56 VAL O 1 74 ARG N . . 2.700 2.914 2.766 3.313 0.613 20 1 "[ . 1 . +]" 1
679 1 56 VAL HA 1 57 ASN H . . 3.500 2.309 2.216 2.365 . 0 0 "[ . 1 . 2]" 1
680 1 19 HIS H 1 24 VAL H . . 3.490 2.929 2.749 3.135 . 0 0 "[ . 1 . 2]" 1
681 1 53 ILE MG 1 54 ILE H . . 3.490 2.681 2.615 2.787 . 0 0 "[ . 1 . 2]" 1
682 1 61 LEU H 1 61 LEU HG . . 3.490 2.882 1.800 3.757 0.267 5 0 "[ . 1 . 2]" 1
683 1 53 ILE MD 1 53 ILE MG . . 3.490 2.063 1.984 3.215 . 0 0 "[ . 1 . 2]" 1
684 1 21 THR H 1 21 THR HB . . 3.480 2.630 2.481 3.567 0.087 19 0 "[ . 1 . 2]" 1
685 1 6 ARG HA 1 7 PRO HD3 . . 3.480 2.315 1.927 2.910 . 0 0 "[ . 1 . 2]" 1
686 1 83 GLU H 1 83 GLU HB2 . . 3.480 2.435 2.370 2.532 . 0 0 "[ . 1 . 2]" 1
687 1 76 ALA HA 1 77 GLN H . . 3.480 2.335 2.230 2.505 . 0 0 "[ . 1 . 2]" 1
688 1 13 LYS HA 1 14 LYS H . . 3.480 2.378 2.073 2.876 . 0 0 "[ . 1 . 2]" 1
689 1 15 ALA HA 1 16 ASN H . . 3.480 2.293 2.223 2.350 . 0 0 "[ . 1 . 2]" 1
690 1 94 VAL HA 1 94 VAL MG1 . . 3.480 2.318 2.217 2.356 . 0 0 "[ . 1 . 2]" 1
691 1 63 ILE HA 1 64 VAL H . . 3.470 2.618 1.936 3.526 0.056 13 0 "[ . 1 . 2]" 1
692 1 86 GLY HA2 1 87 CYS H . . 3.470 3.211 3.041 3.344 . 0 0 "[ . 1 . 2]" 1
693 1 93 LEU H 1 93 LEU HB3 . . 3.470 2.960 2.756 3.095 . 0 0 "[ . 1 . 2]" 1
694 1 18 THR H 1 18 THR HB . . 3.470 2.520 2.468 2.558 . 0 0 "[ . 1 . 2]" 1
695 1 22 LEU HB2 1 22 LEU MD1 . . 3.460 2.323 2.290 2.342 . 0 0 "[ . 1 . 2]" 1
696 1 93 LEU HB2 1 93 LEU MD2 . . 3.460 2.662 2.509 3.115 . 0 0 "[ . 1 . 2]" 1
697 1 30 ILE MG 1 32 SER H . . 3.460 2.434 2.155 2.711 . 0 0 "[ . 1 . 2]" 1
698 1 27 GLN H 1 27 GLN HB2 . . 3.450 2.616 2.484 2.820 . 0 0 "[ . 1 . 2]" 1
699 1 31 LEU H 1 32 SER H . . 3.450 2.584 2.478 2.651 . 0 0 "[ . 1 . 2]" 1
700 1 24 VAL H 1 24 VAL MG1 . . 3.440 2.364 2.205 2.546 . 0 0 "[ . 1 . 2]" 1
701 1 8 MET H 1 9 GLY H . . 3.430 1.994 1.456 3.429 . 0 0 "[ . 1 . 2]" 1
702 1 29 PRO HA 1 30 ILE H . . 3.430 2.210 2.167 2.267 . 0 0 "[ . 1 . 2]" 1
703 1 52 THR H 1 52 THR HB . . 3.430 2.690 2.432 3.599 0.169 15 0 "[ . 1 . 2]" 1
704 1 52 THR HA 1 53 ILE H . . 3.430 2.285 2.193 2.424 . 0 0 "[ . 1 . 2]" 1
705 1 94 VAL H 1 94 VAL MG2 . . 3.410 2.117 1.773 2.318 . 0 0 "[ . 1 . 2]" 1
706 1 17 VAL H 1 17 VAL MG2 . . 3.410 2.358 2.274 2.501 . 0 0 "[ . 1 . 2]" 1
707 1 10 LEU HA 1 11 ARG H . . 3.400 2.368 2.064 3.027 . 0 0 "[ . 1 . 2]" 1
708 1 14 LYS H 1 14 LYS HB3 . . 3.390 3.212 2.475 3.750 0.360 10 0 "[ . 1 . 2]" 1
709 1 14 LYS H 1 14 LYS HB2 . . 3.390 2.983 2.510 3.347 . 0 0 "[ . 1 . 2]" 1
710 1 50 LYS HA 1 51 GLY H . . 3.390 2.270 2.182 2.319 . 0 0 "[ . 1 . 2]" 1
711 1 75 TYR HA 1 76 ALA H . . 3.390 2.177 2.128 2.241 . 0 0 "[ . 1 . 2]" 1
712 1 48 LEU HA 1 49 THR H . . 3.380 2.274 2.079 2.556 . 0 0 "[ . 1 . 2]" 1
713 1 70 ILE HG12 1 70 ILE MG . . 3.340 2.300 2.270 2.335 . 0 0 "[ . 1 . 2]" 1
714 1 85 ASP H 1 86 GLY H . . 3.340 2.236 2.070 2.494 . 0 0 "[ . 1 . 2]" 1
715 1 70 ILE HB 1 70 ILE MD . . 3.320 2.363 2.333 2.387 . 0 0 "[ . 1 . 2]" 1
716 1 38 SER H 1 39 ASN H . . 3.310 2.642 1.949 3.367 0.057 17 0 "[ . 1 . 2]" 1
717 1 78 ILE HA 1 79 THR H . . 3.310 2.073 2.039 2.109 . 0 0 "[ . 1 . 2]" 1
718 1 5 ILE HA 1 5 ILE MG . . 3.310 2.560 2.329 3.222 . 0 0 "[ . 1 . 2]" 1
719 1 90 ALA H 1 90 ALA MB . . 3.310 2.526 2.452 2.634 . 0 0 "[ . 1 . 2]" 1
720 1 85 ASP H 1 85 ASP HB3 . . 3.310 2.979 2.384 3.627 0.317 20 0 "[ . 1 . 2]" 1
721 1 17 VAL HA 1 18 THR H . . 3.300 2.103 2.074 2.130 . 0 0 "[ . 1 . 2]" 1
722 1 55 GLU HA 1 56 VAL H . . 3.300 2.158 2.116 2.199 . 0 0 "[ . 1 . 2]" 1
723 1 83 GLU H 1 84 ASN H . . 3.290 2.480 2.286 2.611 . 0 0 "[ . 1 . 2]" 1
724 1 18 THR HA 1 19 HIS H . . 3.280 2.116 2.093 2.154 . 0 0 "[ . 1 . 2]" 1
725 1 14 LYS HA 1 15 ALA H . . 3.280 2.209 2.139 2.261 . 0 0 "[ . 1 . 2]" 1
726 1 56 VAL H 1 56 VAL MG2 . . 3.280 2.217 2.144 2.259 . 0 0 "[ . 1 . 2]" 1
727 1 21 THR H 1 22 LEU H . . 3.280 2.600 2.427 2.710 . 0 0 "[ . 1 . 2]" 1
728 1 91 VAL H 1 91 VAL MG1 . . 3.270 2.174 2.016 2.274 . 0 0 "[ . 1 . 2]" 1
729 1 15 ALA H 1 15 ALA MB . . 3.270 2.590 2.501 2.688 . 0 0 "[ . 1 . 2]" 1
730 1 24 VAL MG2 1 25 THR H . . 3.260 2.322 2.209 2.533 . 0 0 "[ . 1 . 2]" 1
731 1 24 VAL H 1 24 VAL HB . . 3.260 3.127 3.072 3.203 . 0 0 "[ . 1 . 2]" 1
732 1 79 THR HA 1 80 ASN H . . 3.260 2.193 2.132 2.363 . 0 0 "[ . 1 . 2]" 1
733 1 22 LEU H 1 23 ASN H . . 3.250 1.971 1.824 2.110 . 0 0 "[ . 1 . 2]" 1
734 1 2 GLU H 1 3 ARG H . . 3.220 2.801 2.162 3.554 0.334 11 0 "[ . 1 . 2]" 1
735 1 87 CYS HA 1 88 VAL H . . 3.220 2.459 2.364 2.603 . 0 0 "[ . 1 . 2]" 1
736 1 82 PRO HA 1 87 CYS H . . 3.220 2.737 2.315 2.894 . 0 0 "[ . 1 . 2]" 1
737 1 88 VAL HA 1 89 ASN H . . 3.210 2.153 2.114 2.190 . 0 0 "[ . 1 . 2]" 1
738 1 70 ILE HA 1 71 ALA H . . 3.190 3.141 2.877 3.289 0.099 20 0 "[ . 1 . 2]" 1
739 1 8 MET H 1 8 MET HB2 . . 3.190 3.239 2.679 3.518 0.328 12 0 "[ . 1 . 2]" 1
740 1 1 TYR H1 1 2 GLU H . . 3.180 2.509 1.819 3.400 0.220 17 0 "[ . 1 . 2]" 1
741 1 64 VAL HA 1 65 THR H . . 3.170 2.311 2.032 3.171 0.001 20 0 "[ . 1 . 2]" 1
742 1 27 GLN HA 1 28 LEU H . . 3.160 2.142 2.111 2.182 . 0 0 "[ . 1 . 2]" 1
743 1 25 THR HA 1 26 VAL H . . 3.150 2.120 2.073 2.156 . 0 0 "[ . 1 . 2]" 1
744 1 2 GLU H 1 2 GLU HB2 . . 3.120 2.650 2.352 3.338 0.218 17 0 "[ . 1 . 2]" 1
745 1 23 ASN H 1 24 VAL H . . 3.100 2.729 2.653 2.954 . 0 0 "[ . 1 . 2]" 1
746 1 85 ASP H 1 85 ASP HB2 . . 3.100 2.547 2.377 2.767 . 0 0 "[ . 1 . 2]" 1
747 1 66 ALA HA 1 67 SER H . . 3.100 2.675 2.134 3.437 0.337 15 0 "[ . 1 . 2]" 1
748 1 67 SER HA 1 68 GLY H . . 3.080 3.029 2.315 3.252 0.172 3 0 "[ . 1 . 2]" 1
749 1 86 GLY H 1 87 CYS H . . 3.060 2.368 2.233 2.512 . 0 0 "[ . 1 . 2]" 1
750 1 25 THR H 1 25 THR HB . . 3.050 2.814 2.506 3.106 0.056 19 0 "[ . 1 . 2]" 1
751 1 89 ASN HA 1 90 ALA H . . 3.020 2.251 2.207 2.326 . 0 0 "[ . 1 . 2]" 1
752 1 27 GLN H 1 27 GLN HB3 . . 2.990 2.562 2.492 2.696 . 0 0 "[ . 1 . 2]" 1
753 1 1 TYR HA 1 2 GLU H . . 2.980 2.922 2.191 3.202 0.222 6 0 "[ . 1 . 2]" 1
754 1 23 ASN HA 1 24 VAL H . . 2.950 2.642 2.508 2.759 . 0 0 "[ . 1 . 2]" 1
755 1 5 ILE HA 1 6 ARG H . . 2.940 2.200 2.097 2.963 0.023 18 0 "[ . 1 . 2]" 1
756 1 84 ASN H 1 85 ASP H . . 2.900 2.388 2.258 2.502 . 0 0 "[ . 1 . 2]" 1
757 1 71 ALA H 1 71 ALA MB . . 2.900 2.262 2.219 2.349 . 0 0 "[ . 1 . 2]" 1
758 1 26 VAL HA 1 27 GLN H . . 2.870 2.233 2.156 2.335 . 0 0 "[ . 1 . 2]" 1
759 1 86 GLY H 1 86 GLY HA2 . . 2.780 2.359 2.313 2.416 . 0 0 "[ . 1 . 2]" 1
760 1 93 LEU HA 1 94 VAL H . . 2.730 2.183 2.122 2.274 . 0 0 "[ . 1 . 2]" 1
761 1 24 VAL HA 1 25 THR H . . 2.720 2.253 2.161 2.313 . 0 0 "[ . 1 . 2]" 1
762 1 52 THR H 1 78 ILE O . . 1.800 2.769 2.734 2.793 0.993 8 20 [*******+**********-*] 1
763 1 23 ASN H 1 23 ASN HA . . 2.700 2.282 2.237 2.304 . 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 22
_Distance_constraint_stats_list.Viol_count 365
_Distance_constraint_stats_list.Viol_total 2092.048
_Distance_constraint_stats_list.Viol_max 0.878
_Distance_constraint_stats_list.Viol_rms 0.2830
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2377
_Distance_constraint_stats_list.Viol_average_violations_only 0.2866
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 ALA 9.615 0.749 20 1 "[ . 1 . +]"
1 16 ASN 6.761 0.710 10 6 "[ . * + **-. *2]"
1 17 VAL 3.310 0.211 14 0 "[ . 1 . 2]"
1 18 THR 1.939 0.327 18 0 "[ . 1 . 2]"
1 26 VAL 3.310 0.211 14 0 "[ . 1 . 2]"
1 28 LEU 9.615 0.749 20 1 "[ . 1 . +]"
1 32 SER 15.901 0.820 17 20 [*-**************+***]
1 34 LYS 17.826 0.878 8 19 "[*******+** *******-*]"
1 52 THR 0.146 0.051 15 0 "[ . 1 . 2]"
1 53 ILE 17.826 0.878 8 19 "[*******+** *******-*]"
1 54 ILE 3.415 0.240 7 0 "[ . 1 . 2]"
1 55 GLU 15.901 0.820 17 20 [*-**************+***]
1 56 VAL 5.611 0.631 20 2 "[ -. 1 . +]"
1 58 VAL 20.835 0.872 6 19 "[*** *+-*************]"
1 72 TRP 20.835 0.872 6 19 "[*** *+-*************]"
1 74 ARG 5.611 0.631 20 2 "[ -. 1 . +]"
1 76 ALA 3.415 0.240 7 0 "[ . 1 . 2]"
1 77 GLN 2.453 0.197 17 0 "[ . 1 . 2]"
1 78 ILE 0.146 0.051 15 0 "[ . 1 . 2]"
1 79 THR 16.790 0.869 9 20 [*****-**+***********]
1 88 VAL 6.734 0.710 10 6 "[ . * + **-. *2]"
1 89 ASN 16.790 0.869 9 20 [*****-**+***********]
1 90 ALA 1.966 0.327 18 0 "[ . 1 . 2]"
1 91 VAL 2.453 0.197 17 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 79 THR O 1 89 ASN H . . 1.800 2.613 2.439 2.669 0.869 9 20 [*****-**+***********] 2
2 1 32 SER H 1 55 GLU O . . 1.800 2.524 2.344 2.620 0.820 17 20 [*-**************+***] 2
3 1 58 VAL O 1 72 TRP H . . 1.800 2.477 1.836 2.672 0.872 6 17 "[*** *+ -*1**********]" 2
4 1 56 VAL O 1 74 ARG H . . 1.800 1.993 1.813 2.431 0.631 20 2 "[ -. 1 . +]" 2
5 1 34 LYS O 1 53 ILE H . . 1.800 2.554 2.273 2.678 0.878 8 19 "[*******+** *******-*]" 2
6 1 17 VAL O 1 26 VAL H . . 1.800 1.852 1.769 1.955 0.155 2 0 "[ . 1 . 2]" 2
7 1 18 THR H 1 90 ALA O . . 1.800 1.890 1.744 2.127 0.327 18 0 "[ . 1 . 2]" 2
8 1 15 ALA O 1 28 LEU H . . 1.800 2.047 1.860 2.549 0.749 20 1 "[ . 1 . +]" 2
9 1 58 VAL H 1 72 TRP O . . 1.800 2.165 1.817 2.555 0.755 10 6 "[* . -* + . ** 2]" 2
10 1 16 ASN H 1 88 VAL O . . 1.800 2.137 1.884 2.510 0.710 10 6 "[ . * + **-. *2]" 2
11 1 15 ALA H 1 28 LEU O . . 1.800 2.034 1.890 2.452 0.652 20 1 "[ . 1 . +]" 2
12 1 56 VAL H 1 74 ARG O . . 1.800 1.878 1.739 2.251 0.451 20 0 "[ . 1 . 2]" 2
13 1 54 ILE O 1 76 ALA H . . 1.800 1.881 1.755 2.040 0.240 1 0 "[ . 1 . 2]" 2
14 1 79 THR H 1 89 ASN O . . 1.800 1.816 1.750 1.910 0.110 3 0 "[ . 1 . 2]" 2
15 1 54 ILE H 1 76 ALA O . . 1.800 1.883 1.769 2.040 0.240 7 0 "[ . 1 . 2]" 2
16 1 16 ASN O 1 90 ALA H . . 1.800 1.742 1.714 1.827 0.027 17 0 "[ . 1 . 2]" 2
17 1 52 THR O 1 78 ILE H . . 1.800 1.760 1.695 1.851 0.051 15 0 "[ . 1 . 2]" 2
18 1 17 VAL H 1 26 VAL O . . 1.800 1.908 1.782 2.011 0.211 14 0 "[ . 1 . 2]" 2
19 1 77 GLN O 1 91 VAL H . . 1.800 1.861 1.776 1.997 0.197 17 0 "[ . 1 . 2]" 2
20 1 32 SER O 1 55 GLU H . . 1.800 1.868 1.741 2.042 0.242 2 0 "[ . 1 . 2]" 2
21 1 77 GLN H 1 91 VAL O . . 1.800 1.849 1.742 1.991 0.191 12 0 "[ . 1 . 2]" 2
22 1 34 LYS H 1 53 ILE O . . 1.800 1.935 1.759 2.194 0.394 4 0 "[ . 1 . 2]" 2
stop_
save_
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