NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624948 |
5xee   |
36071 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5xee
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 875
_Distance_constraint_stats_list.Viol_count 4740
_Distance_constraint_stats_list.Viol_total 21215.928
_Distance_constraint_stats_list.Viol_max 0.759
_Distance_constraint_stats_list.Viol_rms 0.1339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0606
_Distance_constraint_stats_list.Viol_average_violations_only 0.2238
_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 3 GLN 7.712 0.720 18 5 "[ *. 1** - + 2]"
1 4 SER 1.991 0.295 9 0 "[ . 1 . 2]"
1 5 ASP 5.687 0.550 4 3 "[ +. 1 * - 2]"
1 6 LYS 3.992 0.720 18 2 "[ . 1- . + 2]"
1 8 VAL 1.819 0.180 18 0 "[ . 1 . 2]"
1 9 LYS 5.299 0.482 19 0 "[ . 1 . 2]"
1 10 TYR 44.618 0.711 20 11 "[ * *.** * * *** - +]"
1 11 TYR 72.178 0.714 14 20 [*-***********+******]
1 12 THR 37.519 0.736 5 20 [****+*******-*******]
1 13 LEU 34.464 0.578 16 8 "[* *. * *1 - *+ *]"
1 14 GLU 11.572 0.354 15 0 "[ . 1 . 2]"
1 15 GLU 13.725 0.578 16 4 "[- . * 1* .+ 2]"
1 16 ILE 22.746 0.615 20 14 "[-* **** **** *.* *+]"
1 18 LYS 0.737 0.394 2 0 "[ . 1 . 2]"
1 19 HIS 8.424 0.585 20 1 "[ . 1 . +]"
1 20 LYS 4.631 0.522 9 2 "[ . +1 . -]"
1 21 ASP 14.557 0.723 10 16 "[- ***** *+** ***** *]"
1 22 SER 19.780 0.611 13 9 "[*** . * ** + .- *]"
1 23 LYS 50.265 0.723 10 19 "[-********+******** *]"
1 24 SER 14.981 0.585 20 4 "[ .* *1 . - +]"
1 25 THR 32.559 0.655 10 18 "[******** +****-****2]"
1 26 TRP 48.102 0.655 10 16 "[******** + * *****-2]"
1 27 VAL 28.058 0.592 11 1 "[ . 1+ . 2]"
1 28 ILE 45.157 0.759 14 15 "[-* **** *****+* **]"
1 29 LEU 23.253 0.759 14 6 "[*** . * * +. 2]"
1 30 HIS 38.609 0.690 16 18 "[*** *******-***+ ***]"
1 31 HIS 11.102 0.690 16 9 "[* .** **-* .+ *2]"
1 32 LYS 25.600 0.714 14 19 "[******** -***+******]"
1 33 VAL 53.602 0.736 5 20 [****+*********-*****]
1 34 TYR 36.108 0.709 13 11 "[ * ******+*-* 2]"
1 35 ASP 28.373 0.652 7 15 "[* ****+* ** **-** *]"
1 36 LEU 69.528 0.634 13 15 "[** * ** ***+*.***-*]"
1 37 THR 25.252 0.639 8 7 "[* -** + 1 * . * 2]"
1 38 LYS 16.903 0.560 20 6 "[ . * - .** *+]"
1 39 PHE 33.455 0.708 12 20 [***-*******+********]
1 40 LEU 37.062 0.657 12 7 "[* . * - + .*** 2]"
1 41 GLU 0.808 0.192 19 0 "[ . 1 . 2]"
1 42 GLU 25.826 0.713 20 3 "[ -. 1 .* +]"
1 43 PHE 31.610 0.708 12 20 [***-*******+********]
1 44 PRO 5.284 0.667 18 8 "[ . * *1** ** +-2]"
1 45 GLY 5.468 0.667 18 8 "[ . * *1** ** +-2]"
1 46 GLY 23.869 0.611 20 6 "[ * . -*1 * . * +]"
1 47 GLU 17.995 0.611 20 5 "[ * . * - . * +]"
1 48 GLU 2.895 0.325 5 0 "[ . 1 . 2]"
1 49 VAL 14.227 0.472 8 0 "[ . 1 . 2]"
1 50 LEU 21.900 0.577 9 4 "[ - . +1 * .* 2]"
1 51 ARG 20.414 0.657 12 7 "[* - . * 1 + .*** 2]"
1 52 GLU 6.864 0.511 16 1 "[ . 1 .+ 2]"
1 55 GLY 21.995 0.674 12 9 "[ * ** **-+ *.* 2]"
1 56 GLY 1.871 0.172 10 0 "[ . 1 . 2]"
1 57 ASP 10.194 0.674 12 1 "[ . 1 + . 2]"
1 58 ALA 25.907 0.613 1 2 "[+ . 1 -. 2]"
1 59 THR 26.341 0.691 10 11 "[*** . ** + * *.- **]"
1 60 GLU 17.971 0.513 2 1 "[ + . 1 . 2]"
1 61 ASN 38.490 0.541 6 6 "[** .+ 1* . -* 2]"
1 62 PHE 15.120 0.613 1 5 "[+* .* 1 . -* 2]"
1 63 GLU 29.305 0.596 20 14 "[* * *****1- * .****+]"
1 64 ASP 3.342 0.284 17 0 "[ . 1 . 2]"
1 65 VAL 23.540 0.596 20 13 "[* * ***-*1 * .****+]"
1 66 GLY 6.820 0.339 3 0 "[ . 1 . 2]"
1 67 PHE 4.238 0.713 20 3 "[ -. 1 .* +]"
1 69 THR 7.281 0.444 19 0 "[ . 1 . 2]"
1 70 ASP 4.253 0.339 6 0 "[ . 1 . 2]"
1 71 ALA 21.191 0.572 19 3 "[ . 1 -. * +2]"
1 72 ARG 27.913 0.620 17 4 "[ . -*1 . + *2]"
1 73 GLU 27.524 0.617 18 2 "[ . - 1 . + 2]"
1 74 LEU 21.537 0.620 17 4 "[ . *1 -. + *2]"
1 76 LYS 1.116 0.339 18 0 "[ . 1 . 2]"
1 77 LYS 29.566 0.617 18 10 "[* . ****** -* + 2]"
1 78 TYR 14.350 0.426 6 0 "[ . 1 . 2]"
1 79 ILE 44.382 0.709 13 16 "[* ****** ** +**-** *]"
1 80 ILE 14.722 0.592 11 1 "[ . 1+ . 2]"
1 81 GLY 61.653 0.690 2 15 "[*+**** **1***** * *]"
1 82 GLU 53.353 0.569 6 6 "[ * .+ *1 - . ** 2]"
1 83 LEU 48.672 0.654 2 11 "[*+ *.* * 1****. -* 2]"
1 84 HIS 38.892 0.711 20 12 "[ * *.** *** *-* * +]"
1 85 PRO 17.793 0.556 7 4 "[ * - +* 1 . 2]"
1 86 ASP 23.874 0.476 8 0 "[ . 1 . 2]"
1 87 ASP 47.805 0.636 5 15 "[ ***+***** ****** 2]"
1 88 ARG 67.843 0.636 5 16 "[* **+** *** **-****2]"
1 89 SER 24.310 0.539 1 4 "[+ . 1 - . * *2]"
1 90 LYS 7.109 0.562 10 1 "[ . + . 2]"
1 91 ILE 35.051 0.692 13 11 "[* ** * *** +** - 2]"
1 92 ALA 12.039 0.573 1 4 "[+ . 1 * -*2]"
1 93 LYS 12.399 0.692 13 10 "[* ** * *1* +*- *2]"
1 95 SER 0.262 0.262 7 0 "[ . 1 . 2]"
1 96 GLU 4.459 0.579 4 2 "[ +. - 1 . 2]"
1 97 THR 0.354 0.193 14 0 "[ . 1 . 2]"
1 98 LEU 7.814 0.579 4 3 "[ +. - 1 . *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 SER H 1 4 SER HB3 . . 2.700 2.727 2.587 2.995 0.295 9 0 "[ . 1 . 2]" 1
2 1 4 SER H 1 4 SER HG . . 3.300 3.059 2.092 3.448 0.148 1 0 "[ . 1 . 2]" 1
3 1 4 SER HG 1 5 ASP H . . 4.500 3.120 2.411 3.891 . 0 0 "[ . 1 . 2]" 1
4 1 5 ASP H 1 5 ASP HA . . 2.950 2.901 2.827 2.980 0.030 15 0 "[ . 1 . 2]" 1
5 1 3 GLN HB3 1 5 ASP H . . 4.000 4.111 3.449 4.550 0.550 4 3 "[ +. 1 * - 2]" 1
6 1 5 ASP HB3 1 6 LYS H . . 4.980 3.688 2.445 4.517 . 0 0 "[ . 1 . 2]" 1
7 1 5 ASP HA 1 6 LYS H . . 4.470 2.630 2.146 3.573 . 0 0 "[ . 1 . 2]" 1
8 1 6 LYS H 1 6 LYS HA . . 2.900 2.874 2.708 2.958 0.058 10 0 "[ . 1 . 2]" 1
9 1 6 LYS H 1 6 LYS HB2 . . 2.700 2.519 2.318 2.728 0.028 20 0 "[ . 1 . 2]" 1
10 1 5 ASP H 1 6 LYS H . . 4.350 3.810 2.490 4.644 0.294 11 0 "[ . 1 . 2]" 1
11 1 3 GLN HG3 1 6 LYS H . . 5.200 5.094 4.348 5.920 0.720 18 2 "[ . 1- . + 2]" 1
12 1 8 VAL HA 1 9 LYS H . . 2.300 2.217 2.122 2.395 0.095 15 0 "[ . 1 . 2]" 1
13 1 8 VAL HB 1 9 LYS H . . 4.330 4.153 2.982 4.510 0.180 18 0 "[ . 1 . 2]" 1
14 1 9 LYS H 1 11 TYR H . . 5.950 5.608 5.279 5.851 . 0 0 "[ . 1 . 2]" 1
15 1 9 LYS H 1 9 LYS HA . . 3.100 2.920 2.893 2.962 . 0 0 "[ . 1 . 2]" 1
16 1 9 LYS H 1 81 GLY HA3 . . 3.100 2.347 1.810 3.004 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS H 1 9 LYS QB . . 3.100 2.472 2.381 2.599 . 0 0 "[ . 1 . 2]" 1
18 1 9 LYS QB 1 10 TYR H . . 3.700 3.336 3.003 3.666 . 0 0 "[ . 1 . 2]" 1
19 1 9 LYS H 1 10 TYR H . . 4.500 4.413 4.222 4.565 0.065 14 0 "[ . 1 . 2]" 1
20 1 9 LYS HA 1 10 TYR H . . 2.400 2.176 2.116 2.252 . 0 0 "[ . 1 . 2]" 1
21 1 10 TYR H 1 11 TYR HA . . 5.380 5.272 4.888 5.425 0.045 15 0 "[ . 1 . 2]" 1
22 1 10 TYR H 1 10 TYR QD . . 2.500 2.171 1.805 2.604 0.104 14 0 "[ . 1 . 2]" 1
23 1 10 TYR H 1 10 TYR HB3 . . 3.500 3.614 3.576 3.677 0.177 14 0 "[ . 1 . 2]" 1
24 1 10 TYR H 1 82 GLU HG3 . . 4.600 4.954 4.755 5.095 0.495 6 0 "[ . 1 . 2]" 1
25 1 10 TYR H 1 81 GLY HA3 . . 5.000 5.165 4.908 5.334 0.334 13 0 "[ . 1 . 2]" 1
26 1 10 TYR H 1 11 TYR QE . . 6.000 5.893 5.509 6.364 0.364 9 0 "[ . 1 . 2]" 1
27 1 10 TYR H 1 84 HIS HD2 . . 6.000 6.444 5.716 6.711 0.711 20 11 "[ * *.** * * *** - +]" 1
28 1 10 TYR H 1 10 TYR QE . . 5.300 4.453 4.135 4.934 . 0 0 "[ . 1 . 2]" 1
29 1 10 TYR H 1 10 TYR HB2 . . 2.600 2.405 2.313 2.556 . 0 0 "[ . 1 . 2]" 1
30 1 9 LYS QD 1 10 TYR H . . 5.800 5.775 5.070 6.072 0.272 19 0 "[ . 1 . 2]" 1
31 1 3 GLN HB2 1 10 TYR H . . 5.800 4.518 2.260 6.385 0.585 18 1 "[ . 1 . + 2]" 1
32 1 10 TYR HA 1 11 TYR H . . 2.200 2.232 2.188 2.284 0.084 19 0 "[ . 1 . 2]" 1
33 1 10 TYR HB3 1 11 TYR H . . 3.700 4.013 3.887 4.092 0.392 16 0 "[ . 1 . 2]" 1
34 1 11 TYR H 1 84 HIS HB2 . . 5.700 4.923 4.626 5.227 . 0 0 "[ . 1 . 2]" 1
35 1 11 TYR H 1 82 GLU QB . . 5.700 5.302 5.029 5.444 . 0 0 "[ . 1 . 2]" 1
36 1 11 TYR H 1 83 LEU QB . . 5.900 5.025 4.757 5.281 . 0 0 "[ . 1 . 2]" 1
37 1 11 TYR H 1 82 GLU HG3 . . 4.000 4.393 3.807 4.569 0.569 6 5 "[ * .+ 1 - . ** 2]" 1
38 1 11 TYR H 1 33 VAL HB . . 4.100 4.469 4.256 4.599 0.499 7 0 "[ . 1 . 2]" 1
39 1 9 LYS QB 1 11 TYR H . . 5.200 4.130 3.913 4.376 . 0 0 "[ . 1 . 2]" 1
40 1 11 TYR H 1 83 LEU HA . . 3.200 3.089 2.727 3.446 0.246 14 0 "[ . 1 . 2]" 1
41 1 11 TYR H 1 83 LEU MD2 . . 4.400 3.854 3.562 4.197 . 0 0 "[ . 1 . 2]" 1
42 1 11 TYR H 1 33 VAL QG . . 4.400 2.888 2.696 3.057 . 0 0 "[ . 1 . 2]" 1
43 1 11 TYR H 1 81 GLY HA2 . . 5.600 5.994 5.591 6.240 0.640 2 4 "[ + .* 1- . *]" 1
44 1 11 TYR H 1 32 LYS HA . . 5.800 6.409 6.199 6.514 0.714 14 18 "[* ****** -***+******]" 1
45 1 11 TYR H 1 11 TYR HA . . 3.100 2.908 2.866 2.938 . 0 0 "[ . 1 . 2]" 1
46 1 11 TYR H 1 11 TYR QD . . 3.400 2.583 2.217 2.982 . 0 0 "[ . 1 . 2]" 1
47 1 11 TYR H 1 11 TYR QE . . 5.700 4.840 4.549 5.240 . 0 0 "[ . 1 . 2]" 1
48 1 11 TYR H 1 11 TYR HB3 . . 3.400 3.569 3.441 3.627 0.227 1 0 "[ . 1 . 2]" 1
49 1 11 TYR H 1 12 THR HA . . 5.700 5.365 5.222 5.491 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS HA 1 11 TYR H . . 6.000 5.209 5.063 5.350 . 0 0 "[ . 1 . 2]" 1
51 1 11 TYR QE 1 12 THR H . . 5.500 5.616 5.044 6.088 0.588 13 1 "[ . 1 + . 2]" 1
52 1 11 TYR H 1 12 THR H . . 4.650 4.579 4.502 4.631 . 0 0 "[ . 1 . 2]" 1
53 1 11 TYR HA 1 12 THR H . . 3.430 2.236 2.149 2.328 . 0 0 "[ . 1 . 2]" 1
54 1 11 TYR HB3 1 12 THR H . . 4.390 2.953 2.716 3.260 . 0 0 "[ . 1 . 2]" 1
55 1 12 THR H 1 14 GLU H . . 5.480 5.240 4.987 5.556 0.076 2 0 "[ . 1 . 2]" 1
56 1 12 THR H 1 15 GLU HG3 . . 4.400 4.214 3.152 4.952 0.552 11 3 "[- . * 1+ . 2]" 1
57 1 12 THR H 1 33 VAL HB . . 5.900 6.567 6.434 6.636 0.736 5 20 [*-**+***************] 1
58 1 12 THR H 1 84 HIS H . . 4.750 4.879 4.794 4.994 0.244 9 0 "[ . 1 . 2]" 1
59 1 12 THR H 1 12 THR HA . . 3.100 2.962 2.943 2.987 . 0 0 "[ . 1 . 2]" 1
60 1 12 THR H 1 12 THR MG . . 3.450 2.942 1.992 3.816 0.366 2 0 "[ . 1 . 2]" 1
61 1 12 THR H 1 12 THR HG1 . . 4.200 3.063 1.921 4.696 0.496 19 0 "[ . 1 . 2]" 1
62 1 12 THR H 1 12 THR HB . . 4.200 3.448 2.373 3.813 . 0 0 "[ . 1 . 2]" 1
63 1 12 THR H 1 84 HIS HB2 . . 5.700 4.617 4.268 5.034 . 0 0 "[ . 1 . 2]" 1
64 1 12 THR H 1 13 LEU H . . 4.400 4.456 4.367 4.532 0.132 13 0 "[ . 1 . 2]" 1
65 1 12 THR HG1 1 13 LEU H . . 3.950 4.388 3.677 4.519 0.569 15 6 "[* *. * 1 - + *]" 1
66 1 12 THR HA 1 13 LEU H . . 3.700 2.218 2.149 2.277 . 0 0 "[ . 1 . 2]" 1
67 1 13 LEU H 1 14 GLU H . . 2.800 2.522 2.380 2.628 . 0 0 "[ . 1 . 2]" 1
68 1 13 LEU H 1 83 LEU MD2 . . 2.800 2.709 2.456 2.891 0.091 17 0 "[ . 1 . 2]" 1
69 1 13 LEU H 1 84 HIS HB2 . . 4.900 4.511 3.990 4.806 . 0 0 "[ . 1 . 2]" 1
70 1 13 LEU H 1 84 HIS HB3 . . 5.700 3.829 3.690 4.140 . 0 0 "[ . 1 . 2]" 1
71 1 13 LEU H 1 84 HIS H . . 4.560 4.093 3.814 4.273 . 0 0 "[ . 1 . 2]" 1
72 1 13 LEU H 1 87 ASP HB3 . . 3.100 1.868 1.720 2.027 . 0 0 "[ . 1 . 2]" 1
73 1 13 LEU H 1 88 ARG HA . . 5.200 5.338 5.034 5.726 0.526 9 1 "[ . +1 . 2]" 1
74 1 13 LEU H 1 83 LEU QB . . 5.600 5.383 5.175 5.569 . 0 0 "[ . 1 . 2]" 1
75 1 13 LEU H 1 13 LEU HA . . 2.900 2.839 2.811 2.870 . 0 0 "[ . 1 . 2]" 1
76 1 13 LEU H 1 13 LEU HB2 . . 2.400 2.306 2.233 2.385 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU H 1 13 LEU HB3 . . 3.600 2.755 2.650 2.835 . 0 0 "[ . 1 . 2]" 1
78 1 13 LEU H 1 13 LEU QD . . 3.800 3.617 3.542 3.676 . 0 0 "[ . 1 . 2]" 1
79 1 13 LEU H 1 87 ASP HA . . 5.000 4.451 4.349 4.603 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU H 1 14 GLU HA . . 5.800 5.183 5.070 5.281 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU H 1 88 ARG HB3 . . 6.000 5.877 5.551 6.189 0.189 9 0 "[ . 1 . 2]" 1
82 1 13 LEU H 1 91 ILE MD . . 4.200 4.214 3.886 4.481 0.281 20 0 "[ . 1 . 2]" 1
83 1 13 LEU H 1 16 ILE MD . . 4.800 4.351 4.008 4.581 . 0 0 "[ . 1 . 2]" 1
84 1 13 LEU HB3 1 14 GLU H . . 3.400 3.044 2.869 3.169 . 0 0 "[ . 1 . 2]" 1
85 1 13 LEU QD 1 14 GLU H . . 5.000 4.298 4.211 4.344 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU HA 1 14 GLU H . . 3.500 3.454 3.412 3.504 0.004 20 0 "[ . 1 . 2]" 1
87 1 14 GLU H 1 91 ILE MD . . 2.600 2.810 2.456 2.954 0.354 15 0 "[ . 1 . 2]" 1
88 1 14 GLU H 1 83 LEU MD2 . . 4.600 4.535 4.406 4.654 0.054 9 0 "[ . 1 . 2]" 1
89 1 14 GLU H 1 14 GLU HA . . 2.900 2.812 2.770 2.857 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLU H 1 14 GLU HB2 . . 2.200 2.397 2.314 2.498 0.298 9 0 "[ . 1 . 2]" 1
91 1 14 GLU H 1 16 ILE H . . 4.400 4.080 3.947 4.284 . 0 0 "[ . 1 . 2]" 1
92 1 14 GLU H 1 90 LYS QZ . . 5.600 4.058 3.035 5.931 0.331 8 0 "[ . 1 . 2]" 1
93 1 14 GLU H 1 87 ASP HA . . 5.800 4.987 4.628 5.234 . 0 0 "[ . 1 . 2]" 1
94 1 12 THR HA 1 14 GLU H . . 4.600 3.873 3.749 4.043 . 0 0 "[ . 1 . 2]" 1
95 1 14 GLU H 1 16 ILE MD . . 5.900 5.346 5.139 5.613 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLU H 1 15 GLU HA . . 5.500 5.347 5.215 5.517 0.017 16 0 "[ . 1 . 2]" 1
97 1 14 GLU H 1 15 GLU H . . 2.800 2.708 2.536 2.949 0.149 16 0 "[ . 1 . 2]" 1
98 1 13 LEU HB2 1 15 GLU H . . 5.500 5.755 5.564 6.078 0.578 16 1 "[ . 1 .+ 2]" 1
99 1 14 GLU HB3 1 15 GLU H . . 3.100 2.661 2.351 2.947 . 0 0 "[ . 1 . 2]" 1
100 1 14 GLU HA 1 15 GLU H . . 3.500 3.560 3.505 3.590 0.090 16 0 "[ . 1 . 2]" 1
101 1 15 GLU H 1 16 ILE H . . 2.800 2.590 2.474 2.713 . 0 0 "[ . 1 . 2]" 1
102 1 13 LEU HB3 1 15 GLU H . . 5.300 5.336 5.150 5.681 0.381 16 0 "[ . 1 . 2]" 1
103 1 15 GLU H 1 15 GLU HA . . 3.100 2.846 2.802 2.868 . 0 0 "[ . 1 . 2]" 1
104 1 15 GLU H 1 15 GLU HB2 . . 2.400 2.412 2.144 2.666 0.266 10 0 "[ . 1 . 2]" 1
105 1 15 GLU HA 1 16 ILE H . . 3.500 3.534 3.493 3.567 0.067 2 0 "[ . 1 . 2]" 1
106 1 16 ILE H 1 55 GLY QA . . 4.300 4.750 4.521 4.899 0.599 12 8 "[ * *. **-+ *.* 2]" 1
107 1 16 ILE H 1 16 ILE HB . . 2.700 2.703 2.559 2.808 0.108 19 0 "[ . 1 . 2]" 1
108 1 14 GLU HA 1 16 ILE H . . 4.400 4.428 4.121 4.609 0.209 1 0 "[ . 1 . 2]" 1
109 1 19 HIS HA 1 20 LYS H . . 4.500 2.627 2.157 3.280 . 0 0 "[ . 1 . 2]" 1
110 1 19 HIS H 1 20 LYS H . . 5.270 3.331 2.302 4.256 . 0 0 "[ . 1 . 2]" 1
111 1 20 LYS H 1 21 ASP H . . 4.210 2.397 1.883 2.717 . 0 0 "[ . 1 . 2]" 1
112 1 20 LYS H 1 20 LYS HD3 . . 4.600 3.841 2.579 5.060 0.460 13 0 "[ . 1 . 2]" 1
113 1 20 LYS H 1 20 LYS HB2 . . 2.800 2.520 2.286 2.891 0.091 6 0 "[ . 1 . 2]" 1
114 1 20 LYS H 1 20 LYS HA . . 3.000 2.896 2.813 2.991 . 0 0 "[ . 1 . 2]" 1
115 1 18 LYS HA 1 20 LYS H . . 4.800 4.035 3.246 5.194 0.394 2 0 "[ . 1 . 2]" 1
116 1 20 LYS HA 1 21 ASP H . . 4.190 3.469 2.882 3.564 . 0 0 "[ . 1 . 2]" 1
117 1 19 HIS HA 1 21 ASP H . . 3.500 3.482 2.952 3.940 0.440 19 0 "[ . 1 . 2]" 1
118 1 21 ASP H 1 23 LYS HD3 . . 5.800 5.219 4.243 6.523 0.723 10 2 "[ . + . -]" 1
119 1 21 ASP H 1 23 LYS H . . 4.500 5.003 4.606 5.111 0.611 16 15 "[- ***** *1** **+** *]" 1
120 1 21 ASP H 1 21 ASP HA . . 3.100 2.942 2.893 2.971 . 0 0 "[ . 1 . 2]" 1
121 1 21 ASP H 1 22 SER HA . . 5.700 5.413 5.176 5.711 0.011 2 0 "[ . 1 . 2]" 1
122 1 20 LYS HG3 1 21 ASP H . . 5.300 4.661 3.369 5.321 0.021 17 0 "[ . 1 . 2]" 1
123 1 21 ASP HA 1 22 SER H . . 4.050 2.280 2.157 2.436 . 0 0 "[ . 1 . 2]" 1
124 1 22 SER H 1 40 LEU QD . . 5.100 4.287 3.784 4.760 . 0 0 "[ . 1 . 2]" 1
125 1 22 SER H 1 23 LYS HG3 . . 3.900 3.830 3.685 4.077 0.177 16 0 "[ . 1 . 2]" 1
126 1 22 SER H 1 23 LYS HG2 . . 4.900 5.364 5.150 5.511 0.611 13 9 "[*** . * ** + .- *]" 1
127 1 22 SER H 1 23 LYS HA . . 5.100 5.269 5.184 5.357 0.257 20 0 "[ . 1 . 2]" 1
128 1 22 SER H 1 22 SER HB2 . . 3.100 2.665 2.522 3.506 0.406 13 0 "[ . 1 . 2]" 1
129 1 22 SER H 1 23 LYS H . . 2.700 2.640 2.539 2.766 0.066 2 0 "[ . 1 . 2]" 1
130 1 22 SER H 1 25 THR HG1 . . 5.800 4.575 4.369 5.033 . 0 0 "[ . 1 . 2]" 1
131 1 22 SER H 1 47 GLU HG3 . . 5.660 4.581 3.576 5.160 . 0 0 "[ . 1 . 2]" 1
132 1 22 SER H 1 23 LYS HB3 . . 5.100 5.177 4.930 5.490 0.390 20 0 "[ . 1 . 2]" 1
133 1 21 ASP HB3 1 23 LYS H . . 4.530 2.660 2.269 3.142 . 0 0 "[ . 1 . 2]" 1
134 1 22 SER HA 1 23 LYS H . . 3.300 3.491 3.450 3.523 0.223 11 0 "[ . 1 . 2]" 1
135 1 23 LYS H 1 40 LEU QD . . 5.000 4.538 4.228 4.799 . 0 0 "[ . 1 . 2]" 1
136 1 22 SER HB2 1 23 LYS H . . 4.000 2.930 2.583 3.650 . 0 0 "[ . 1 . 2]" 1
137 1 23 LYS H 1 23 LYS HB2 . . 3.500 3.631 3.568 3.687 0.187 7 0 "[ . 1 . 2]" 1
138 1 23 LYS H 1 23 LYS HG3 . . 2.500 1.928 1.793 2.171 . 0 0 "[ . 1 . 2]" 1
139 1 23 LYS H 1 23 LYS HG2 . . 3.500 3.413 3.300 3.583 0.083 20 0 "[ . 1 . 2]" 1
140 1 23 LYS H 1 23 LYS HA . . 3.100 2.877 2.808 2.953 . 0 0 "[ . 1 . 2]" 1
141 1 23 LYS H 1 23 LYS QZ . . 5.700 4.895 3.434 5.524 . 0 0 "[ . 1 . 2]" 1
142 1 23 LYS H 1 37 THR HG1 . . 5.500 5.401 4.100 6.139 0.639 8 7 "[* -** + 1 * . * 2]" 1
143 1 22 SER HG 1 23 LYS H . . 5.000 4.513 3.750 5.024 0.024 10 0 "[ . 1 . 2]" 1
144 1 23 LYS H 1 25 THR HG1 . . 5.400 4.566 4.149 4.890 . 0 0 "[ . 1 . 2]" 1
145 1 19 HIS HA 1 24 SER H . . 5.450 4.654 4.067 6.035 0.585 20 1 "[ . 1 . +]" 1
146 1 20 LYS H 1 24 SER H . . 5.950 5.650 4.803 6.472 0.522 9 2 "[ . +1 . -]" 1
147 1 23 LYS H 1 24 SER H . . 4.000 2.495 2.186 2.777 . 0 0 "[ . 1 . 2]" 1
148 1 23 LYS HG3 1 24 SER H . . 3.100 3.194 2.843 3.481 0.381 20 0 "[ . 1 . 2]" 1
149 1 23 LYS HG2 1 24 SER H . . 4.200 4.622 4.413 4.720 0.520 6 2 "[ .+ 1 . - 2]" 1
150 1 23 LYS HB3 1 24 SER H . . 5.450 4.345 4.192 4.428 . 0 0 "[ . 1 . 2]" 1
151 1 23 LYS HA 1 24 SER H . . 3.780 3.405 3.349 3.507 . 0 0 "[ . 1 . 2]" 1
152 1 22 SER HB2 1 24 SER H . . 5.450 5.020 4.864 5.224 . 0 0 "[ . 1 . 2]" 1
153 1 24 SER H 1 25 THR H . . 4.200 2.766 2.448 3.877 . 0 0 "[ . 1 . 2]" 1
154 1 19 HIS QB 1 24 SER H . . 5.800 5.287 4.338 5.865 0.065 4 0 "[ . 1 . 2]" 1
155 1 24 SER H 1 24 SER HA . . 3.100 2.962 2.933 2.982 . 0 0 "[ . 1 . 2]" 1
156 1 24 SER H 1 24 SER HB2 . . 3.200 2.745 2.485 3.634 0.434 4 0 "[ . 1 . 2]" 1
157 1 24 SER H 1 25 THR HA . . 5.780 4.763 4.614 5.168 . 0 0 "[ . 1 . 2]" 1
158 1 24 SER H 1 37 THR HA . . 5.780 5.391 5.053 5.847 0.067 7 0 "[ . 1 . 2]" 1
159 1 21 ASP HB3 1 24 SER H . . 3.780 3.374 2.720 4.228 0.448 2 0 "[ . 1 . 2]" 1
160 1 23 LYS HD3 1 24 SER H . . 3.780 2.834 2.243 4.176 0.396 10 0 "[ . 1 . 2]" 1
161 1 24 SER H 1 37 THR MG . . 5.900 4.611 3.945 5.612 . 0 0 "[ . 1 . 2]" 1
162 1 24 SER H 1 25 THR MG . . 6.000 5.432 5.287 5.699 . 0 0 "[ . 1 . 2]" 1
163 1 24 SER HA 1 25 THR H . . 5.500 2.909 2.199 3.111 . 0 0 "[ . 1 . 2]" 1
164 1 24 SER HB3 1 25 THR H . . 5.500 4.326 3.928 4.658 . 0 0 "[ . 1 . 2]" 1
165 1 25 THR H 1 26 TRP HD1 . . 5.000 5.547 5.383 5.655 0.655 10 16 "[******** + * *-****2]" 1
166 1 25 THR H 1 25 THR HB . . 3.100 2.596 2.495 3.055 . 0 0 "[ . 1 . 2]" 1
167 1 25 THR H 1 25 THR MG . . 4.200 3.869 3.827 4.021 . 0 0 "[ . 1 . 2]" 1
168 1 25 THR H 1 37 THR HA . . 3.800 3.756 3.372 4.168 0.368 10 0 "[ . 1 . 2]" 1
169 1 25 THR H 1 37 THR MG . . 4.000 4.011 3.734 4.355 0.355 10 0 "[ . 1 . 2]" 1
170 1 25 THR MG 1 26 TRP H . . 4.920 3.149 2.509 3.387 . 0 0 "[ . 1 . 2]" 1
171 1 26 TRP H 1 36 LEU HG . . 5.800 5.260 4.954 5.777 . 0 0 "[ . 1 . 2]" 1
172 1 25 THR HB 1 26 TRP H . . 4.800 4.380 4.107 4.486 . 0 0 "[ . 1 . 2]" 1
173 1 25 THR HA 1 26 TRP H . . 2.200 2.161 2.100 2.234 0.034 20 0 "[ . 1 . 2]" 1
174 1 25 THR H 1 26 TRP H . . 4.300 4.190 4.081 4.326 0.026 6 0 "[ . 1 . 2]" 1
175 1 19 HIS HB3 1 26 TRP H . . 3.800 3.844 3.602 4.203 0.403 20 0 "[ . 1 . 2]" 1
176 1 19 HIS HB2 1 26 TRP H . . 4.300 4.461 4.101 4.782 0.482 10 0 "[ . 1 . 2]" 1
177 1 26 TRP H 1 36 LEU MD2 . . 5.500 5.945 5.677 6.132 0.632 1 7 "[+ * ** * *. -2]" 1
178 1 26 TRP H 1 33 VAL QG . . 5.500 5.018 4.886 5.175 . 0 0 "[ . 1 . 2]" 1
179 1 26 TRP H 1 36 LEU MD1 . . 5.500 5.377 4.894 6.009 0.509 1 1 "[+ . 1 . 2]" 1
180 1 26 TRP H 1 27 VAL QG . . 5.700 4.124 3.923 4.276 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE MD 1 26 TRP H . . 4.200 4.115 3.865 4.452 0.252 11 0 "[ . 1 . 2]" 1
182 1 26 TRP H 1 55 GLY HA2 . . 4.700 4.825 4.284 5.229 0.529 5 1 "[ + 1 . 2]" 1
183 1 26 TRP H 1 55 GLY H . . 3.600 3.911 3.422 4.060 0.460 6 0 "[ . 1 . 2]" 1
184 1 26 TRP H 1 26 TRP HD1 . . 5.200 4.971 4.841 5.264 0.064 20 0 "[ . 1 . 2]" 1
185 1 26 TRP H 1 26 TRP HA . . 3.100 2.952 2.942 2.963 . 0 0 "[ . 1 . 2]" 1
186 1 26 TRP H 1 26 TRP HE3 . . 4.200 3.403 2.936 3.715 . 0 0 "[ . 1 . 2]" 1
187 1 26 TRP H 1 26 TRP QB . . 3.000 2.757 2.708 2.827 . 0 0 "[ . 1 . 2]" 1
188 1 26 TRP H 1 40 LEU QD . . 5.800 5.655 5.485 5.899 0.099 7 0 "[ . 1 . 2]" 1
189 1 26 TRP HE1 1 80 ILE MD . . 3.400 2.467 1.885 3.388 . 0 0 "[ . 1 . 2]" 1
190 1 26 TRP HA 1 27 VAL H . . 2.200 2.409 2.279 2.495 0.295 17 0 "[ . 1 . 2]" 1
191 1 26 TRP HD1 1 27 VAL H . . 4.090 4.367 4.251 4.512 0.422 15 0 "[ . 1 . 2]" 1
192 1 26 TRP QB 1 27 VAL H . . 4.120 2.595 2.371 3.050 . 0 0 "[ . 1 . 2]" 1
193 1 27 VAL H 1 34 TYR H . . 3.200 3.160 2.952 3.462 0.262 14 0 "[ . 1 . 2]" 1
194 1 27 VAL H 1 34 TYR QD . . 5.500 5.332 4.803 5.679 0.179 14 0 "[ . 1 . 2]" 1
195 1 27 VAL H 1 33 VAL HA . . 4.700 4.653 4.327 5.087 0.387 14 0 "[ . 1 . 2]" 1
196 1 27 VAL H 1 80 ILE MG . . 4.800 4.960 4.718 5.392 0.592 11 1 "[ . 1+ . 2]" 1
197 1 27 VAL H 1 36 LEU MD2 . . 4.000 3.925 3.327 4.426 0.426 20 0 "[ . 1 . 2]" 1
198 1 27 VAL H 1 33 VAL QG . . 5.500 3.204 2.984 3.516 . 0 0 "[ . 1 . 2]" 1
199 1 27 VAL H 1 27 VAL HA . . 3.100 2.967 2.951 2.986 . 0 0 "[ . 1 . 2]" 1
200 1 27 VAL H 1 27 VAL HB . . 4.200 3.868 3.809 3.912 . 0 0 "[ . 1 . 2]" 1
201 1 27 VAL H 1 27 VAL QG . . 2.500 2.220 2.081 2.309 . 0 0 "[ . 1 . 2]" 1
202 1 16 ILE MD 1 27 VAL H . . 4.300 4.178 3.864 4.503 0.203 15 0 "[ . 1 . 2]" 1
203 1 26 TRP H 1 27 VAL H . . 4.400 4.402 4.339 4.449 0.049 4 0 "[ . 1 . 2]" 1
204 1 27 VAL H 1 36 LEU HG . . 4.800 4.544 4.027 5.015 0.215 8 0 "[ . 1 . 2]" 1
205 1 25 THR MG 1 27 VAL H . . 5.200 4.995 4.663 5.167 . 0 0 "[ . 1 . 2]" 1
206 1 27 VAL HB 1 28 ILE H . . 3.950 2.541 2.373 2.687 . 0 0 "[ . 1 . 2]" 1
207 1 27 VAL HA 1 28 ILE H . . 2.200 2.364 2.296 2.446 0.246 10 0 "[ . 1 . 2]" 1
208 1 27 VAL H 1 28 ILE H . . 4.300 4.474 4.435 4.541 0.241 15 0 "[ . 1 . 2]" 1
209 1 28 ILE H 1 29 LEU MD2 . . 5.750 4.564 4.243 5.496 . 0 0 "[ . 1 . 2]" 1
210 1 27 VAL QG 1 28 ILE H . . 3.450 3.240 3.159 3.314 . 0 0 "[ . 1 . 2]" 1
211 1 16 ILE MD 1 28 ILE H . . 4.500 4.985 4.783 5.115 0.615 20 11 "[-* **** ** * . *+]" 1
212 1 13 LEU QD 1 28 ILE H . . 5.700 3.979 3.632 4.188 . 0 0 "[ . 1 . 2]" 1
213 1 28 ILE H 1 36 LEU MD2 . . 5.700 5.961 5.815 6.153 0.453 8 0 "[ . 1 . 2]" 1
214 1 28 ILE H 1 58 ALA H . . 5.130 4.336 3.781 4.778 . 0 0 "[ . 1 . 2]" 1
215 1 28 ILE H 1 28 ILE MD . . 4.700 3.858 3.554 4.203 . 0 0 "[ . 1 . 2]" 1
216 1 28 ILE H 1 28 ILE HB . . 3.800 3.906 3.856 3.955 0.155 11 0 "[ . 1 . 2]" 1
217 1 28 ILE H 1 28 ILE HA . . 3.100 2.961 2.949 2.975 . 0 0 "[ . 1 . 2]" 1
218 1 28 ILE H 1 30 HIS H . . 5.800 5.700 5.496 5.924 0.124 15 0 "[ . 1 . 2]" 1
219 1 28 ILE H 1 83 LEU QB . . 5.800 5.978 5.784 6.069 0.269 18 0 "[ . 1 . 2]" 1
220 1 28 ILE H 1 29 LEU MD1 . . 5.900 5.954 5.415 6.659 0.759 14 3 "[* . - +. 2]" 1
221 1 28 ILE H 1 33 VAL QG . . 5.500 4.617 4.485 4.836 . 0 0 "[ . 1 . 2]" 1
222 1 28 ILE H 1 33 VAL HA . . 4.800 4.897 4.816 5.037 0.237 13 0 "[ . 1 . 2]" 1
223 1 28 ILE H 1 29 LEU H . . 4.300 4.346 4.282 4.437 0.137 6 0 "[ . 1 . 2]" 1
224 1 28 ILE HA 1 29 LEU H . . 2.200 2.157 2.126 2.222 0.022 17 0 "[ . 1 . 2]" 1
225 1 29 LEU H 1 34 TYR QD . . 5.500 3.367 2.694 3.962 . 0 0 "[ . 1 . 2]" 1
226 1 29 LEU H 1 83 LEU QB . . 5.680 5.127 4.692 5.308 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL QG 1 29 LEU H . . 4.950 4.685 4.406 4.969 0.019 20 0 "[ . 1 . 2]" 1
228 1 29 LEU H 1 58 ALA MB . . 3.700 3.311 3.067 3.569 . 0 0 "[ . 1 . 2]" 1
229 1 29 LEU H 1 32 LYS HB2 . . 5.700 5.553 4.332 5.840 0.140 5 0 "[ . 1 . 2]" 1
230 1 29 LEU H 1 29 LEU HB2 . . 3.700 2.275 2.112 2.392 . 0 0 "[ . 1 . 2]" 1
231 1 29 LEU H 1 29 LEU HG . . 4.000 4.119 3.884 4.485 0.485 14 0 "[ . 1 . 2]" 1
232 1 29 LEU H 1 30 HIS H . . 2.500 2.492 2.362 2.683 0.183 5 0 "[ . 1 . 2]" 1
233 1 13 LEU QD 1 29 LEU H . . 6.000 5.938 5.715 6.194 0.194 8 0 "[ . 1 . 2]" 1
234 1 28 ILE HB 1 30 HIS H . . 4.950 3.220 2.891 3.497 . 0 0 "[ . 1 . 2]" 1
235 1 29 LEU HA 1 30 HIS H . . 5.320 3.524 3.463 3.592 . 0 0 "[ . 1 . 2]" 1
236 1 29 LEU MD2 1 30 HIS H . . 4.200 4.282 3.949 4.727 0.527 1 2 "[+ . 1 -. 2]" 1
237 1 30 HIS H 1 31 HIS H . . 4.530 2.219 1.731 2.768 . 0 0 "[ . 1 . 2]" 1
238 1 30 HIS H 1 32 LYS HB3 . . 5.290 4.632 4.219 5.845 0.555 2 1 "[ + . 1 . 2]" 1
239 1 30 HIS H 1 34 TYR QD . . 6.100 5.647 5.048 6.203 0.103 15 0 "[ . 1 . 2]" 1
240 1 28 ILE MG 1 30 HIS H . . 5.800 4.713 4.398 4.957 . 0 0 "[ . 1 . 2]" 1
241 1 30 HIS H 1 59 THR MG . . 4.700 4.935 4.419 5.359 0.659 19 9 "[* * . ** * * .- +*]" 1
242 1 30 HIS H 1 83 LEU H . . 6.000 6.219 5.796 6.583 0.583 18 1 "[ . 1 . + 2]" 1
243 1 30 HIS H 1 30 HIS HD2 . . 6.000 5.169 3.509 5.971 . 0 0 "[ . 1 . 2]" 1
244 1 30 HIS H 1 30 HIS HA . . 3.000 2.803 2.765 2.838 . 0 0 "[ . 1 . 2]" 1
245 1 30 HIS H 1 30 HIS HD1 . . 5.500 5.367 4.673 5.687 0.187 10 0 "[ . 1 . 2]" 1
246 1 30 HIS H 1 30 HIS HB3 . . 3.200 3.328 3.155 3.617 0.417 18 0 "[ . 1 . 2]" 1
247 1 30 HIS H 1 88 ARG HB3 . . 5.500 5.789 5.531 5.970 0.470 17 0 "[ . 1 . 2]" 1
248 1 13 LEU QD 1 30 HIS H . . 5.950 5.829 5.578 6.032 0.082 12 0 "[ . 1 . 2]" 1
249 1 28 ILE QG 1 30 HIS H . . 4.100 4.426 3.448 4.665 0.565 15 6 "[ * 1*-**+ 2]" 1
250 1 29 LEU HB3 1 31 HIS H . . 5.500 4.516 3.400 4.871 . 0 0 "[ . 1 . 2]" 1
251 1 31 HIS H 1 83 LEU QB . . 5.000 4.728 4.277 5.197 0.197 2 0 "[ . 1 . 2]" 1
252 1 31 HIS H 1 88 ARG HB2 . . 5.500 5.217 4.739 5.872 0.372 11 0 "[ . 1 . 2]" 1
253 1 30 HIS HA 1 31 HIS H . . 4.290 3.550 3.470 3.598 . 0 0 "[ . 1 . 2]" 1
254 1 30 HIS HD1 1 31 HIS H . . 5.180 4.219 2.879 5.181 0.001 2 0 "[ . 1 . 2]" 1
255 1 31 HIS HB3 1 32 LYS H . . 4.090 3.291 2.820 4.058 . 0 0 "[ . 1 . 2]" 1
256 1 31 HIS H 1 34 TYR QE . . 6.000 5.788 5.108 6.540 0.540 11 1 "[ . 1+ . 2]" 1
257 1 31 HIS H 1 88 ARG HG2 . . 5.800 5.272 5.004 5.645 . 0 0 "[ . 1 . 2]" 1
258 1 31 HIS H 1 31 HIS HD1 . . 5.900 5.261 4.665 5.607 . 0 0 "[ . 1 . 2]" 1
259 1 31 HIS H 1 31 HIS HB2 . . 3.800 3.064 2.495 3.424 . 0 0 "[ . 1 . 2]" 1
260 1 30 HIS HE1 1 31 HIS H . . 6.000 6.099 4.530 6.690 0.690 16 8 "[* .** *- * .+ *2]" 1
261 1 28 ILE MG 1 31 HIS H . . 6.000 5.625 5.289 6.087 0.087 11 0 "[ . 1 . 2]" 1
262 1 31 HIS H 1 32 LYS HB3 . . 5.550 4.241 4.052 5.708 0.158 2 0 "[ . 1 . 2]" 1
263 1 31 HIS HA 1 32 LYS H . . 3.430 3.464 3.383 3.524 0.094 2 0 "[ . 1 . 2]" 1
264 1 31 HIS H 1 32 LYS H . . 3.950 1.883 1.736 2.100 . 0 0 "[ . 1 . 2]" 1
265 1 32 LYS H 1 34 TYR QE . . 4.700 4.618 3.893 5.240 0.540 14 3 "[ . 1* +- 2]" 1
266 1 32 LYS H 1 82 GLU QB . . 6.100 5.075 4.769 5.555 . 0 0 "[ . 1 . 2]" 1
267 1 32 LYS H 1 83 LEU QB . . 4.600 3.939 3.531 4.398 . 0 0 "[ . 1 . 2]" 1
268 1 29 LEU HB3 1 32 LYS H . . 5.600 4.863 3.440 5.220 . 0 0 "[ . 1 . 2]" 1
269 1 32 LYS H 1 83 LEU MD2 . . 5.900 6.233 5.885 6.554 0.654 2 2 "[ + . - 1 . 2]" 1
270 1 32 LYS H 1 32 LYS HB2 . . 2.900 2.859 2.453 3.010 0.110 7 0 "[ . 1 . 2]" 1
271 1 32 LYS H 1 32 LYS HE3 . . 5.300 4.781 4.203 5.028 . 0 0 "[ . 1 . 2]" 1
272 1 32 LYS H 1 32 LYS HD2 . . 5.300 5.181 5.068 5.325 0.025 6 0 "[ . 1 . 2]" 1
273 1 31 HIS HD1 1 32 LYS H . . 6.000 5.629 4.460 6.379 0.379 7 0 "[ . 1 . 2]" 1
274 1 28 ILE MG 1 32 LYS H . . 5.550 4.850 4.448 5.183 . 0 0 "[ . 1 . 2]" 1
275 1 32 LYS HA 1 33 VAL H . . 4.300 2.304 2.232 2.393 . 0 0 "[ . 1 . 2]" 1
276 1 33 VAL H 1 81 GLY HA3 . . 4.600 4.987 4.644 5.109 0.509 5 2 "[ + 1 - 2]" 1
277 1 33 VAL H 1 34 TYR QD . . 5.390 4.894 4.417 5.334 . 0 0 "[ . 1 . 2]" 1
278 1 33 VAL H 1 34 TYR H . . 4.550 4.465 4.428 4.517 . 0 0 "[ . 1 . 2]" 1
279 1 33 VAL H 1 79 ILE MD . . 5.650 4.170 3.675 4.381 . 0 0 "[ . 1 . 2]" 1
280 1 33 VAL H 1 81 GLY H . . 4.200 4.438 4.000 4.648 0.448 18 0 "[ . 1 . 2]" 1
281 1 33 VAL H 1 82 GLU HA . . 4.580 1.882 1.741 2.043 . 0 0 "[ . 1 . 2]" 1
282 1 33 VAL H 1 83 LEU QB . . 4.800 3.449 3.215 3.649 . 0 0 "[ . 1 . 2]" 1
283 1 32 LYS HD3 1 33 VAL H . . 5.400 4.783 4.477 5.928 0.528 2 1 "[ + . 1 . 2]" 1
284 1 33 VAL H 1 82 GLU QB . . 4.500 3.740 3.556 3.920 . 0 0 "[ . 1 . 2]" 1
285 1 33 VAL H 1 83 LEU H . . 2.300 2.483 2.222 2.599 0.299 9 0 "[ . 1 . 2]" 1
286 1 33 VAL H 1 80 ILE H . . 5.800 5.557 5.272 6.042 0.242 18 0 "[ . 1 . 2]" 1
287 1 33 VAL H 1 83 LEU HA . . 4.900 4.446 4.242 4.610 . 0 0 "[ . 1 . 2]" 1
288 1 33 VAL H 1 82 GLU HG2 . . 5.600 5.587 5.450 5.740 0.140 20 0 "[ . 1 . 2]" 1
289 1 33 VAL H 1 33 VAL HB . . 2.800 2.962 2.911 3.003 0.203 4 0 "[ . 1 . 2]" 1
290 1 33 VAL H 1 33 VAL QG . . 3.200 2.161 1.998 2.212 . 0 0 "[ . 1 . 2]" 1
291 1 32 LYS HB2 1 33 VAL H . . 4.300 4.104 3.872 4.244 . 0 0 "[ . 1 . 2]" 1
292 1 28 ILE MG 1 33 VAL H . . 5.400 4.145 3.850 4.384 . 0 0 "[ . 1 . 2]" 1
293 1 33 VAL H 1 80 ILE MG . . 5.400 4.482 4.271 4.823 . 0 0 "[ . 1 . 2]" 1
294 1 33 VAL HA 1 34 TYR H . . 2.200 2.196 2.166 2.257 0.057 19 0 "[ . 1 . 2]" 1
295 1 33 VAL HB 1 34 TYR H . . 4.330 4.115 4.030 4.185 . 0 0 "[ . 1 . 2]" 1
296 1 33 VAL QG 1 34 TYR H . . 3.000 2.349 2.216 2.472 . 0 0 "[ . 1 . 2]" 1
297 1 29 LEU MD2 1 34 TYR H . . 5.500 4.580 4.131 5.512 0.012 14 0 "[ . 1 . 2]" 1
298 1 27 VAL QG 1 34 TYR H . . 3.400 3.368 3.097 3.598 0.198 13 0 "[ . 1 . 2]" 1
299 1 28 ILE HA 1 34 TYR H . . 5.140 3.501 3.060 3.704 . 0 0 "[ . 1 . 2]" 1
300 1 27 VAL HA 1 34 TYR H . . 4.900 4.997 4.906 5.097 0.197 5 0 "[ . 1 . 2]" 1
301 1 34 TYR H 1 80 ILE H . . 5.700 5.235 4.944 5.537 . 0 0 "[ . 1 . 2]" 1
302 1 34 TYR H 1 79 ILE HA . . 5.800 5.883 5.526 6.056 0.256 13 0 "[ . 1 . 2]" 1
303 1 34 TYR H 1 79 ILE MD . . 5.200 5.638 5.215 5.909 0.709 13 7 "[ - * 1* +*** 2]" 1
304 1 34 TYR H 1 36 LEU MD2 . . 5.800 5.645 5.136 6.190 0.390 20 0 "[ . 1 . 2]" 1
305 1 34 TYR H 1 80 ILE MG . . 3.700 3.688 3.512 4.091 0.391 11 0 "[ . 1 . 2]" 1
306 1 34 TYR H 1 34 TYR HB2 . . 3.000 2.674 2.606 2.754 . 0 0 "[ . 1 . 2]" 1
307 1 34 TYR H 1 34 TYR QD . . 3.300 3.144 2.792 3.620 0.320 14 0 "[ . 1 . 2]" 1
308 1 26 TRP HD1 1 34 TYR H . . 5.560 5.359 4.692 5.681 0.121 5 0 "[ . 1 . 2]" 1
309 1 28 ILE HB 1 34 TYR H . . 5.560 5.441 5.143 5.643 0.083 19 0 "[ . 1 . 2]" 1
310 1 34 TYR H 1 36 LEU HB2 . . 5.560 5.511 5.247 5.794 0.234 1 0 "[ . 1 . 2]" 1
311 1 34 TYR H 1 83 LEU QB . . 5.560 5.438 5.244 5.602 0.042 4 0 "[ . 1 . 2]" 1
312 1 28 ILE MG 1 34 TYR H . . 5.560 3.631 3.458 3.784 . 0 0 "[ . 1 . 2]" 1
313 1 35 ASP H 1 78 TYR QD . . 5.100 4.036 3.849 4.430 . 0 0 "[ . 1 . 2]" 1
314 1 26 TRP HD1 1 35 ASP H . . 4.800 4.304 3.803 4.475 . 0 0 "[ . 1 . 2]" 1
315 1 35 ASP H 1 80 ILE H . . 3.600 3.369 3.043 4.005 0.405 8 0 "[ . 1 . 2]" 1
316 1 34 TYR H 1 35 ASP H . . 4.550 4.374 4.332 4.402 . 0 0 "[ . 1 . 2]" 1
317 1 34 TYR HA 1 35 ASP H . . 2.200 2.207 2.169 2.253 0.053 18 0 "[ . 1 . 2]" 1
318 1 35 ASP H 1 79 ILE HB . . 5.800 6.344 6.185 6.452 0.652 7 15 "[* ****+* ** ****- *]" 1
319 1 35 ASP H 1 36 LEU HB2 . . 5.750 5.749 5.576 5.885 0.135 5 0 "[ . 1 . 2]" 1
320 1 35 ASP H 1 79 ILE HA . . 4.200 4.190 3.937 4.378 0.178 11 0 "[ . 1 . 2]" 1
321 1 35 ASP H 1 80 ILE HA . . 5.300 5.135 4.739 5.486 0.186 3 0 "[ . 1 . 2]" 1
322 1 35 ASP H 1 80 ILE MG . . 4.500 2.846 2.658 2.975 . 0 0 "[ . 1 . 2]" 1
323 1 35 ASP H 1 80 ILE MD . . 5.430 4.247 4.042 4.600 . 0 0 "[ . 1 . 2]" 1
324 1 35 ASP H 1 81 GLY H . . 5.200 5.286 5.036 5.574 0.374 8 0 "[ . 1 . 2]" 1
325 1 35 ASP H 1 78 TYR H . . 5.200 5.256 5.001 5.493 0.293 19 0 "[ . 1 . 2]" 1
326 1 34 TYR HB3 1 35 ASP H . . 3.100 2.855 2.649 3.096 . 0 0 "[ . 1 . 2]" 1
327 1 35 ASP H 1 78 TYR HB3 . . 2.800 2.274 2.051 2.709 . 0 0 "[ . 1 . 2]" 1
328 1 33 VAL QG 1 35 ASP H . . 4.900 4.305 4.059 4.419 . 0 0 "[ . 1 . 2]" 1
329 1 35 ASP H 1 79 ILE MD . . 4.900 5.369 5.001 5.531 0.631 11 9 "[* ** * 1+ **- *]" 1
330 1 34 TYR QD 1 35 ASP H . . 4.100 3.802 3.510 4.034 . 0 0 "[ . 1 . 2]" 1
331 1 35 ASP H 1 35 ASP QB . . 2.770 2.274 2.223 2.297 . 0 0 "[ . 1 . 2]" 1
332 1 35 ASP H 1 35 ASP HA . . 3.000 2.831 2.807 2.847 . 0 0 "[ . 1 . 2]" 1
333 1 35 ASP H 1 36 LEU MD2 . . 5.750 5.691 5.277 6.106 0.356 20 0 "[ . 1 . 2]" 1
334 1 25 THR H 1 36 LEU H . . 5.000 5.395 4.493 5.634 0.634 13 10 "[** . *- +*.****2]" 1
335 1 26 TRP H 1 36 LEU H . . 6.100 4.832 4.531 5.063 . 0 0 "[ . 1 . 2]" 1
336 1 26 TRP HA 1 36 LEU H . . 5.470 2.243 2.084 2.411 . 0 0 "[ . 1 . 2]" 1
337 1 27 VAL H 1 36 LEU H . . 4.360 3.855 3.567 4.044 . 0 0 "[ . 1 . 2]" 1
338 1 26 TRP HD1 1 36 LEU H . . 3.800 2.443 1.855 3.337 . 0 0 "[ . 1 . 2]" 1
339 1 35 ASP HA 1 36 LEU H . . 4.240 2.142 2.093 2.182 . 0 0 "[ . 1 . 2]" 1
340 1 35 ASP QB 1 36 LEU H . . 4.580 3.854 3.778 3.962 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU H 1 37 THR H . . 4.820 1.993 1.902 2.079 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU H 1 37 THR MG . . 5.300 5.015 3.227 5.410 0.110 2 0 "[ . 1 . 2]" 1
343 1 25 THR MG 1 36 LEU H . . 4.200 4.299 4.008 4.571 0.371 16 0 "[ . 1 . 2]" 1
344 1 36 LEU H 1 38 LYS H . . 4.980 4.310 4.213 4.431 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU H 1 40 LEU QD . . 5.450 5.160 4.957 5.425 . 0 0 "[ . 1 . 2]" 1
346 1 27 VAL QG 1 36 LEU H . . 4.500 3.945 3.644 4.272 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU H 1 78 TYR HB3 . . 5.420 5.206 5.057 5.403 . 0 0 "[ . 1 . 2]" 1
348 1 36 LEU H 1 39 PHE HB2 . . 5.100 5.313 5.083 5.491 0.391 14 0 "[ . 1 . 2]" 1
349 1 34 TYR HB2 1 36 LEU H . . 5.750 5.772 5.352 6.074 0.324 17 0 "[ . 1 . 2]" 1
350 1 36 LEU H 1 38 LYS QB . . 6.000 5.686 5.521 5.992 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU H 1 80 ILE MG . . 4.800 4.704 4.354 5.104 0.304 3 0 "[ . 1 . 2]" 1
352 1 36 LEU H 1 36 LEU MD1 . . 4.400 4.362 4.299 4.415 0.015 15 0 "[ . 1 . 2]" 1
353 1 36 LEU H 1 36 LEU HG . . 5.000 4.785 4.686 4.839 . 0 0 "[ . 1 . 2]" 1
354 1 36 LEU H 1 36 LEU HB3 . . 2.700 2.832 2.646 2.986 0.286 15 0 "[ . 1 . 2]" 1
355 1 36 LEU H 1 36 LEU HB2 . . 2.700 2.561 2.407 2.683 . 0 0 "[ . 1 . 2]" 1
356 1 36 LEU H 1 36 LEU MD2 . . 4.100 4.067 3.906 4.228 0.128 20 0 "[ . 1 . 2]" 1
357 1 36 LEU H 1 37 THR HB . . 5.000 4.176 3.930 4.476 . 0 0 "[ . 1 . 2]" 1
358 1 25 THR MG 1 37 THR H . . 3.900 4.192 3.908 4.379 0.479 16 0 "[ . 1 . 2]" 1
359 1 36 LEU HG 1 37 THR H . . 5.190 5.498 5.358 5.633 0.443 15 0 "[ . 1 . 2]" 1
360 1 25 THR H 1 37 THR H . . 4.770 4.376 3.542 4.639 . 0 0 "[ . 1 . 2]" 1
361 1 26 TRP HD1 1 37 THR H . . 4.820 3.429 2.876 4.601 . 0 0 "[ . 1 . 2]" 1
362 1 26 TRP HA 1 37 THR H . . 4.840 3.670 3.476 3.921 . 0 0 "[ . 1 . 2]" 1
363 1 26 TRP QB 1 37 THR H . . 5.550 5.067 4.811 5.350 . 0 0 "[ . 1 . 2]" 1
364 1 35 ASP HA 1 37 THR H . . 4.490 3.425 3.260 3.586 . 0 0 "[ . 1 . 2]" 1
365 1 36 LEU HA 1 37 THR H . . 4.440 3.445 3.421 3.473 . 0 0 "[ . 1 . 2]" 1
366 1 36 LEU MD2 1 37 THR H . . 4.800 4.830 4.770 4.915 0.115 1 0 "[ . 1 . 2]" 1
367 1 37 THR H 1 38 LYS H . . 2.800 2.942 2.799 3.084 0.284 16 0 "[ . 1 . 2]" 1
368 1 37 THR H 1 38 LYS QB . . 5.400 4.735 4.593 4.953 . 0 0 "[ . 1 . 2]" 1
369 1 36 LEU HB3 1 37 THR H . . 4.700 3.186 3.002 3.352 . 0 0 "[ . 1 . 2]" 1
370 1 37 THR H 1 39 PHE HB3 . . 6.100 4.937 4.782 5.154 . 0 0 "[ . 1 . 2]" 1
371 1 35 ASP QB 1 37 THR H . . 5.660 4.356 4.178 4.586 . 0 0 "[ . 1 . 2]" 1
372 1 37 THR H 1 39 PHE H . . 4.200 4.012 3.852 4.137 . 0 0 "[ . 1 . 2]" 1
373 1 27 VAL QG 1 37 THR H . . 5.800 5.151 4.919 5.394 . 0 0 "[ . 1 . 2]" 1
374 1 37 THR H 1 40 LEU QD . . 4.400 4.176 4.017 4.424 0.024 19 0 "[ . 1 . 2]" 1
375 1 36 LEU MD1 1 37 THR H . . 4.400 4.202 4.019 4.342 . 0 0 "[ . 1 . 2]" 1
376 1 37 THR H 1 37 THR HB . . 2.800 2.508 2.363 2.714 . 0 0 "[ . 1 . 2]" 1
377 1 37 THR H 1 37 THR MG . . 3.900 3.509 1.998 3.783 . 0 0 "[ . 1 . 2]" 1
378 1 37 THR H 1 37 THR HA . . 3.000 2.731 2.681 2.798 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 37 THR H . . 5.800 5.704 5.404 5.879 0.079 20 0 "[ . 1 . 2]" 1
380 1 35 ASP QB 1 38 LYS H . . 5.100 4.181 4.005 4.468 . 0 0 "[ . 1 . 2]" 1
381 1 36 LEU HB3 1 38 LYS H . . 5.000 5.470 5.359 5.560 0.560 20 6 "[ . * - .** *+]" 1
382 1 36 LEU HA 1 38 LYS H . . 4.400 4.147 3.975 4.337 . 0 0 "[ . 1 . 2]" 1
383 1 37 THR MG 1 38 LYS H . . 3.500 3.093 2.107 3.388 . 0 0 "[ . 1 . 2]" 1
384 1 37 THR HB 1 38 LYS H . . 4.480 2.812 2.455 4.205 . 0 0 "[ . 1 . 2]" 1
385 1 38 LYS H 1 39 PHE HB3 . . 5.100 4.557 4.405 4.745 . 0 0 "[ . 1 . 2]" 1
386 1 38 LYS H 1 40 LEU QD . . 5.700 4.566 4.411 4.741 . 0 0 "[ . 1 . 2]" 1
387 1 36 LEU MD1 1 38 LYS H . . 4.800 4.982 4.844 5.195 0.395 20 0 "[ . 1 . 2]" 1
388 1 38 LYS H 1 78 TYR QD . . 5.400 4.294 3.670 4.728 . 0 0 "[ . 1 . 2]" 1
389 1 38 LYS H 1 38 LYS HA . . 3.100 2.921 2.894 2.952 . 0 0 "[ . 1 . 2]" 1
390 1 38 LYS H 1 38 LYS QB . . 2.800 2.268 2.203 2.328 . 0 0 "[ . 1 . 2]" 1
391 1 38 LYS H 1 38 LYS QE . . 5.900 4.693 4.479 5.285 . 0 0 "[ . 1 . 2]" 1
392 1 38 LYS H 1 38 LYS HG3 . . 4.550 4.522 4.427 4.703 0.153 4 0 "[ . 1 . 2]" 1
393 1 36 LEU MD2 1 39 PHE H . . 4.240 4.251 4.042 4.515 0.275 1 0 "[ . 1 . 2]" 1
394 1 36 LEU HA 1 39 PHE H . . 3.400 3.070 2.904 3.202 . 0 0 "[ . 1 . 2]" 1
395 1 36 LEU HB3 1 39 PHE H . . 5.000 5.270 5.103 5.439 0.439 6 0 "[ . 1 . 2]" 1
396 1 38 LYS QB 1 39 PHE H . . 3.200 2.841 2.593 3.224 0.024 20 0 "[ . 1 . 2]" 1
397 1 38 LYS HA 1 39 PHE H . . 3.500 3.506 3.392 3.555 0.055 18 0 "[ . 1 . 2]" 1
398 1 39 PHE H 1 40 LEU H . . 2.800 2.702 2.363 2.816 0.016 6 0 "[ . 1 . 2]" 1
399 1 39 PHE H 1 40 LEU QD . . 5.750 4.463 4.365 4.551 . 0 0 "[ . 1 . 2]" 1
400 1 39 PHE H 1 43 PHE QE . . 5.800 6.428 6.344 6.508 0.708 12 20 [***********+**-*****] 1
401 1 38 LYS QE 1 39 PHE H . . 5.100 4.693 3.772 4.960 . 0 0 "[ . 1 . 2]" 1
402 1 39 PHE H 1 39 PHE HB2 . . 2.500 2.496 2.399 2.667 0.167 20 0 "[ . 1 . 2]" 1
403 1 39 PHE H 1 39 PHE QD . . 4.300 4.234 4.185 4.284 . 0 0 "[ . 1 . 2]" 1
404 1 39 PHE H 1 39 PHE HA . . 3.100 2.825 2.779 2.911 . 0 0 "[ . 1 . 2]" 1
405 1 39 PHE H 1 41 GLU HG2 . . 5.800 5.448 5.034 5.874 0.074 6 0 "[ . 1 . 2]" 1
406 1 35 ASP QB 1 39 PHE H . . 5.400 4.778 4.600 4.988 . 0 0 "[ . 1 . 2]" 1
407 1 38 LYS HA 1 40 LEU H . . 4.400 4.191 3.945 4.433 0.033 3 0 "[ . 1 . 2]" 1
408 1 39 PHE HB3 1 40 LEU H . . 3.000 2.969 2.682 3.152 0.152 8 0 "[ . 1 . 2]" 1
409 1 39 PHE HA 1 40 LEU H . . 3.500 3.524 3.498 3.545 0.045 3 0 "[ . 1 . 2]" 1
410 1 40 LEU H 1 47 GLU HA . . 5.300 5.623 5.453 5.841 0.541 18 2 "[ . - . + 2]" 1
411 1 39 PHE QD 1 40 LEU H . . 4.900 4.142 3.911 4.555 . 0 0 "[ . 1 . 2]" 1
412 1 40 LEU H 1 41 GLU H . . 2.800 2.464 2.285 2.566 . 0 0 "[ . 1 . 2]" 1
413 1 36 LEU MD1 1 40 LEU H . . 3.100 2.769 2.542 3.005 . 0 0 "[ . 1 . 2]" 1
414 1 40 LEU H 1 50 LEU MD2 . . 4.100 3.951 3.677 4.131 0.031 12 0 "[ . 1 . 2]" 1
415 1 38 LYS QE 1 40 LEU H . . 5.400 5.250 4.990 5.590 0.190 3 0 "[ . 1 . 2]" 1
416 1 40 LEU H 1 40 LEU HA . . 3.100 2.881 2.860 2.903 . 0 0 "[ . 1 . 2]" 1
417 1 40 LEU H 1 40 LEU HB2 . . 3.600 3.647 3.619 3.688 0.088 20 0 "[ . 1 . 2]" 1
418 1 40 LEU H 1 40 LEU QD . . 3.200 3.004 2.919 3.111 . 0 0 "[ . 1 . 2]" 1
419 1 40 LEU H 1 40 LEU HG . . 2.200 2.047 1.921 2.243 0.043 5 0 "[ . 1 . 2]" 1
420 1 37 THR H 1 40 LEU H . . 5.400 5.049 4.851 5.151 . 0 0 "[ . 1 . 2]" 1
421 1 40 LEU H 1 78 TYR QE . . 5.900 5.698 4.859 6.159 0.259 9 0 "[ . 1 . 2]" 1
422 1 37 THR HA 1 40 LEU H . . 4.400 4.339 3.886 4.567 0.167 2 0 "[ . 1 . 2]" 1
423 1 40 LEU H 1 41 GLU HG2 . . 4.900 4.213 3.875 4.543 . 0 0 "[ . 1 . 2]" 1
424 1 36 LEU MD1 1 41 GLU H . . 5.900 4.822 4.655 5.028 . 0 0 "[ . 1 . 2]" 1
425 1 41 GLU H 1 50 LEU MD2 . . 5.600 5.167 5.034 5.314 . 0 0 "[ . 1 . 2]" 1
426 1 40 LEU QD 1 41 GLU H . . 4.100 2.485 2.271 2.863 . 0 0 "[ . 1 . 2]" 1
427 1 38 LYS QE 1 41 GLU H . . 4.900 3.950 3.715 4.382 . 0 0 "[ . 1 . 2]" 1
428 1 39 PHE HB3 1 41 GLU H . . 5.500 5.115 4.882 5.253 . 0 0 "[ . 1 . 2]" 1
429 1 39 PHE H 1 41 GLU H . . 4.200 4.103 3.685 4.326 0.126 9 0 "[ . 1 . 2]" 1
430 1 41 GLU H 1 43 PHE H . . 4.700 4.165 4.022 4.354 . 0 0 "[ . 1 . 2]" 1
431 1 40 LEU HG 1 41 GLU H . . 4.190 2.909 2.694 3.078 . 0 0 "[ . 1 . 2]" 1
432 1 41 GLU H 1 42 GLU HA . . 5.550 5.147 5.033 5.222 . 0 0 "[ . 1 . 2]" 1
433 1 40 LEU HA 1 41 GLU H . . 3.500 3.475 3.427 3.504 0.004 4 0 "[ . 1 . 2]" 1
434 1 41 GLU H 1 42 GLU HB2 . . 4.800 4.548 4.292 4.992 0.192 19 0 "[ . 1 . 2]" 1
435 1 41 GLU H 1 41 GLU HA . . 3.100 2.868 2.849 2.903 . 0 0 "[ . 1 . 2]" 1
436 1 41 GLU H 1 41 GLU HG2 . . 4.100 2.441 2.209 2.771 . 0 0 "[ . 1 . 2]" 1
437 1 41 GLU H 1 41 GLU HB2 . . 2.900 2.429 2.338 2.528 . 0 0 "[ . 1 . 2]" 1
438 1 41 GLU H 1 43 PHE QD . . 5.800 5.231 4.961 5.377 . 0 0 "[ . 1 . 2]" 1
439 1 41 GLU HA 1 42 GLU H . . 3.500 3.460 3.370 3.519 0.019 18 0 "[ . 1 . 2]" 1
440 1 42 GLU H 1 43 PHE HA . . 5.800 5.310 5.184 5.442 . 0 0 "[ . 1 . 2]" 1
441 1 39 PHE QD 1 42 GLU H . . 5.350 5.256 4.764 5.538 0.188 7 0 "[ . 1 . 2]" 1
442 1 41 GLU H 1 42 GLU H . . 2.800 2.527 2.456 2.650 . 0 0 "[ . 1 . 2]" 1
443 1 40 LEU H 1 42 GLU H . . 4.400 3.960 3.520 4.154 . 0 0 "[ . 1 . 2]" 1
444 1 40 LEU HA 1 42 GLU H . . 4.400 3.833 3.653 4.016 . 0 0 "[ . 1 . 2]" 1
445 1 42 GLU H 1 43 PHE QD . . 5.290 4.667 4.435 4.850 . 0 0 "[ . 1 . 2]" 1
446 1 42 GLU H 1 43 PHE QE . . 5.400 5.229 5.015 5.543 0.143 18 0 "[ . 1 . 2]" 1
447 1 42 GLU H 1 67 PHE HZ . . 6.000 5.919 5.109 6.713 0.713 20 3 "[ -. 1 .* +]" 1
448 1 41 GLU HG2 1 42 GLU H . . 4.900 4.589 4.405 4.868 . 0 0 "[ . 1 . 2]" 1
449 1 40 LEU HB2 1 42 GLU H . . 5.200 5.446 5.286 5.694 0.494 18 0 "[ . 1 . 2]" 1
450 1 42 GLU H 1 50 LEU MD2 . . 5.600 5.522 4.983 5.821 0.221 12 0 "[ . 1 . 2]" 1
451 1 42 GLU H 1 42 GLU HA . . 3.000 2.823 2.794 2.872 . 0 0 "[ . 1 . 2]" 1
452 1 42 GLU H 1 42 GLU HB3 . . 3.100 3.360 2.597 3.592 0.492 11 0 "[ . 1 . 2]" 1
453 1 42 GLU H 1 42 GLU HB2 . . 2.600 2.331 2.126 2.601 0.001 11 0 "[ . 1 . 2]" 1
454 1 42 GLU H 1 42 GLU HG2 . . 4.700 3.569 2.104 4.636 . 0 0 "[ . 1 . 2]" 1
455 1 40 LEU QD 1 42 GLU H . . 5.750 4.415 4.288 4.645 . 0 0 "[ . 1 . 2]" 1
456 1 39 PHE QD 1 43 PHE H . . 5.700 6.067 5.779 6.255 0.555 6 3 "[ -.+ 1 *. 2]" 1
457 1 42 GLU H 1 43 PHE H . . 3.000 2.621 2.459 2.810 . 0 0 "[ . 1 . 2]" 1
458 1 42 GLU HB2 1 43 PHE H . . 3.700 3.170 2.590 3.905 0.205 16 0 "[ . 1 . 2]" 1
459 1 42 GLU HA 1 43 PHE H . . 3.700 3.500 3.476 3.527 . 0 0 "[ . 1 . 2]" 1
460 1 40 LEU HA 1 43 PHE H . . 3.900 3.493 3.233 3.707 . 0 0 "[ . 1 . 2]" 1
461 1 43 PHE H 1 46 GLY HA3 . . 5.030 4.362 3.819 4.808 . 0 0 "[ . 1 . 2]" 1
462 1 42 GLU HG2 1 43 PHE H . . 5.000 5.040 4.190 5.495 0.495 5 0 "[ . 1 . 2]" 1
463 1 42 GLU HB3 1 43 PHE H . . 3.450 3.541 2.800 3.905 0.455 17 0 "[ . 1 . 2]" 1
464 1 43 PHE H 1 67 PHE HZ . . 4.800 4.656 4.120 5.031 0.231 4 0 "[ . 1 . 2]" 1
465 1 43 PHE H 1 43 PHE QD . . 3.200 3.111 2.916 3.211 0.011 12 0 "[ . 1 . 2]" 1
466 1 43 PHE H 1 43 PHE HB2 . . 3.100 2.719 2.608 2.844 . 0 0 "[ . 1 . 2]" 1
467 1 41 GLU HA 1 43 PHE H . . 5.000 3.807 3.589 4.063 . 0 0 "[ . 1 . 2]" 1
468 1 40 LEU HB2 1 43 PHE H . . 5.400 5.100 4.932 5.431 0.031 20 0 "[ . 1 . 2]" 1
469 1 45 GLY H 1 45 GLY HA2 . . 2.800 2.296 2.285 2.311 . 0 0 "[ . 1 . 2]" 1
470 1 45 GLY H 1 45 GLY HA3 . . 2.900 2.855 2.799 2.898 . 0 0 "[ . 1 . 2]" 1
471 1 44 PRO HG2 1 45 GLY H . . 5.200 5.410 4.950 5.867 0.667 18 8 "[ . * *1** ** +-2]" 1
472 1 43 PHE HA 1 46 GLY H . . 6.000 4.829 4.638 5.204 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU QD 1 46 GLY H . . 4.400 4.477 4.035 4.810 0.410 9 0 "[ . 1 . 2]" 1
474 1 46 GLY H 1 50 LEU MD2 . . 5.200 5.354 5.086 5.662 0.462 6 0 "[ . 1 . 2]" 1
475 1 40 LEU HA 1 46 GLY H . . 5.700 4.997 4.241 5.434 . 0 0 "[ . 1 . 2]" 1
476 1 44 PRO HA 1 46 GLY H . . 5.010 4.232 3.910 4.935 . 0 0 "[ . 1 . 2]" 1
477 1 45 GLY H 1 46 GLY H . . 3.940 2.635 2.488 2.947 . 0 0 "[ . 1 . 2]" 1
478 1 43 PHE H 1 46 GLY H . . 4.800 4.278 3.995 4.543 . 0 0 "[ . 1 . 2]" 1
479 1 46 GLY H 1 47 GLU HA . . 5.300 4.859 4.632 5.071 . 0 0 "[ . 1 . 2]" 1
480 1 45 GLY HA3 1 46 GLY H . . 3.550 3.549 3.496 3.583 0.033 9 0 "[ . 1 . 2]" 1
481 1 46 GLY H 1 47 GLU HB3 . . 4.640 4.993 4.384 5.251 0.611 20 4 "[ * . - 1 . * +]" 1
482 1 46 GLY H 1 49 VAL H . . 6.100 5.980 5.456 6.321 0.221 20 0 "[ . 1 . 2]" 1
483 1 40 LEU HB2 1 46 GLY H . . 4.400 4.540 4.045 4.866 0.466 19 0 "[ . 1 . 2]" 1
484 1 43 PHE HB3 1 46 GLY H . . 4.000 3.936 3.532 4.291 0.291 3 0 "[ . 1 . 2]" 1
485 1 43 PHE QD 1 46 GLY H . . 4.600 4.311 4.033 4.581 . 0 0 "[ . 1 . 2]" 1
486 1 46 GLY H 1 50 LEU MD1 . . 5.700 5.765 5.176 6.277 0.577 9 2 "[ . +1 - . 2]" 1
487 1 46 GLY H 1 46 GLY HA2 . . 3.000 2.935 2.855 2.983 . 0 0 "[ . 1 . 2]" 1
488 1 46 GLY H 1 46 GLY HA3 . . 2.700 2.356 2.279 2.479 . 0 0 "[ . 1 . 2]" 1
489 1 40 LEU QD 1 47 GLU H . . 4.500 3.658 3.135 3.962 . 0 0 "[ . 1 . 2]" 1
490 1 47 GLU H 1 50 LEU MD2 . . 5.550 4.999 4.594 5.475 . 0 0 "[ . 1 . 2]" 1
491 1 45 GLY HA3 1 47 GLU H . . 6.000 4.351 4.178 4.650 . 0 0 "[ . 1 . 2]" 1
492 1 46 GLY H 1 47 GLU H . . 4.870 2.740 2.352 2.978 . 0 0 "[ . 1 . 2]" 1
493 1 40 LEU HB2 1 47 GLU H . . 3.600 3.653 3.085 3.937 0.337 1 0 "[ . 1 . 2]" 1
494 1 47 GLU H 1 47 GLU HA . . 3.100 2.827 2.675 2.876 . 0 0 "[ . 1 . 2]" 1
495 1 47 GLU H 1 47 GLU HB2 . . 2.800 2.569 2.339 2.767 . 0 0 "[ . 1 . 2]" 1
496 1 47 GLU H 1 47 GLU QG . . 4.500 4.025 3.929 4.082 . 0 0 "[ . 1 . 2]" 1
497 1 47 GLU HB3 1 49 VAL H . . 5.500 5.148 4.988 5.355 . 0 0 "[ . 1 . 2]" 1
498 1 40 LEU HB2 1 49 VAL H . . 5.700 5.901 5.714 6.172 0.472 8 0 "[ . 1 . 2]" 1
499 1 47 GLU HA 1 49 VAL H . . 4.400 4.316 3.901 4.602 0.202 5 0 "[ . 1 . 2]" 1
500 1 48 GLU H 1 49 VAL H . . 2.800 2.802 2.532 2.951 0.151 15 0 "[ . 1 . 2]" 1
501 1 49 VAL H 1 50 LEU HA . . 5.300 5.231 5.009 5.386 0.086 16 0 "[ . 1 . 2]" 1
502 1 48 GLU HA 1 49 VAL H . . 3.500 3.514 3.392 3.576 0.076 5 0 "[ . 1 . 2]" 1
503 1 49 VAL H 1 50 LEU H . . 2.800 2.536 2.261 2.694 . 0 0 "[ . 1 . 2]" 1
504 1 49 VAL H 1 52 GLU H . . 5.800 5.863 5.307 6.193 0.393 17 0 "[ . 1 . 2]" 1
505 1 43 PHE QD 1 49 VAL H . . 6.100 5.921 5.674 6.171 0.071 7 0 "[ . 1 . 2]" 1
506 1 49 VAL H 1 49 VAL HB . . 2.800 2.583 2.503 2.803 0.003 18 0 "[ . 1 . 2]" 1
507 1 49 VAL H 1 49 VAL MG2 . . 3.700 3.832 3.796 3.909 0.209 18 0 "[ . 1 . 2]" 1
508 1 49 VAL H 1 49 VAL MG1 . . 2.800 2.113 2.028 2.382 . 0 0 "[ . 1 . 2]" 1
509 1 49 VAL H 1 49 VAL HA . . 3.100 2.886 2.832 2.949 . 0 0 "[ . 1 . 2]" 1
510 1 48 GLU HA 1 50 LEU H . . 4.400 4.218 3.886 4.530 0.130 13 0 "[ . 1 . 2]" 1
511 1 50 LEU H 1 51 ARG HB3 . . 3.800 4.218 4.010 4.305 0.505 12 3 "[ - . 1 + .* 2]" 1
512 1 50 LEU H 1 50 LEU HA . . 3.100 2.974 2.963 2.989 . 0 0 "[ . 1 . 2]" 1
513 1 50 LEU H 1 50 LEU MD2 . . 3.600 3.738 3.447 3.973 0.373 20 0 "[ . 1 . 2]" 1
514 1 50 LEU H 1 50 LEU QB . . 3.500 3.090 2.950 3.162 . 0 0 "[ . 1 . 2]" 1
515 1 49 VAL HA 1 50 LEU H . . 3.600 3.465 3.408 3.506 . 0 0 "[ . 1 . 2]" 1
516 1 47 GLU HA 1 50 LEU H . . 4.400 4.136 3.814 4.611 0.211 5 0 "[ . 1 . 2]" 1
517 1 49 VAL MG2 1 50 LEU H . . 4.400 4.061 3.923 4.300 . 0 0 "[ . 1 . 2]" 1
518 1 50 LEU HA 1 51 ARG H . . 3.500 3.409 3.329 3.504 0.004 14 0 "[ . 1 . 2]" 1
519 1 48 GLU HA 1 51 ARG H . . 3.950 3.819 3.313 4.275 0.325 5 0 "[ . 1 . 2]" 1
520 1 50 LEU QB 1 51 ARG H . . 4.200 3.700 3.561 3.817 . 0 0 "[ . 1 . 2]" 1
521 1 49 VAL MG1 1 51 ARG H . . 4.200 4.293 4.098 4.492 0.292 12 0 "[ . 1 . 2]" 1
522 1 50 LEU MD1 1 51 ARG H . . 3.400 2.230 1.810 2.769 . 0 0 "[ . 1 . 2]" 1
523 1 51 ARG H 1 65 VAL MG1 . . 5.200 5.151 4.916 5.603 0.403 10 0 "[ . 1 . 2]" 1
524 1 51 ARG H 1 51 ARG HB2 . . 3.300 2.553 2.366 3.656 0.356 20 0 "[ . 1 . 2]" 1
525 1 47 GLU QG 1 51 ARG H . . 5.500 4.512 3.685 5.872 0.372 16 0 "[ . 1 . 2]" 1
526 1 40 LEU HB2 1 51 ARG H . . 5.750 6.054 5.629 6.407 0.657 12 6 "[* . * 1 + .-** 2]" 1
527 1 52 GLU H 1 52 GLU HA . . 3.100 2.834 2.787 2.883 . 0 0 "[ . 1 . 2]" 1
528 1 52 GLU H 1 52 GLU HB2 . . 2.800 2.508 2.207 2.691 . 0 0 "[ . 1 . 2]" 1
529 1 50 LEU HG 1 52 GLU H . . 5.800 5.879 5.534 6.311 0.511 16 1 "[ . 1 .+ 2]" 1
530 1 25 THR MG 1 52 GLU H . . 6.000 5.707 5.088 6.351 0.351 6 0 "[ . 1 . 2]" 1
531 1 55 GLY HA2 1 56 GLY H . . 3.200 2.957 2.757 3.192 . 0 0 "[ . 1 . 2]" 1
532 1 55 GLY HA3 1 56 GLY H . . 3.520 3.491 3.406 3.548 0.028 20 0 "[ . 1 . 2]" 1
533 1 56 GLY H 1 56 GLY HA2 . . 2.800 2.890 2.825 2.972 0.172 10 0 "[ . 1 . 2]" 1
534 1 13 LEU QD 1 57 ASP H . . 5.300 4.748 4.333 5.070 . 0 0 "[ . 1 . 2]" 1
535 1 55 GLY HA3 1 57 ASP H . . 5.750 5.782 5.334 6.424 0.674 12 1 "[ . 1 + . 2]" 1
536 1 57 ASP H 1 57 ASP HB2 . . 3.800 2.993 2.543 3.292 . 0 0 "[ . 1 . 2]" 1
537 1 57 ASP H 1 57 ASP HB3 . . 3.800 2.662 2.528 2.859 . 0 0 "[ . 1 . 2]" 1
538 1 57 ASP H 1 58 ALA H . . 4.600 4.487 4.368 4.607 0.007 17 0 "[ . 1 . 2]" 1
539 1 56 GLY HA2 1 57 ASP H . . 3.800 3.566 3.362 3.615 . 0 0 "[ . 1 . 2]" 1
540 1 57 ASP HA 1 58 ALA H . . 2.440 2.214 2.118 2.338 . 0 0 "[ . 1 . 2]" 1
541 1 29 LEU HA 1 58 ALA H . . 4.100 3.555 2.961 4.067 . 0 0 "[ . 1 . 2]" 1
542 1 58 ALA H 1 59 THR HB . . 4.800 4.758 4.053 5.330 0.530 14 1 "[ . 1 +. 2]" 1
543 1 58 ALA H 1 61 ASN HB2 . . 4.900 4.905 4.631 5.177 0.277 20 0 "[ . 1 . 2]" 1
544 1 57 ASP HB3 1 58 ALA H . . 3.500 3.826 3.621 3.961 0.461 8 0 "[ . 1 . 2]" 1
545 1 58 ALA H 1 62 PHE HB3 . . 5.800 5.791 5.290 6.413 0.613 1 1 "[+ . 1 . 2]" 1
546 1 58 ALA H 1 58 ALA MB . . 3.300 2.753 2.565 2.844 . 0 0 "[ . 1 . 2]" 1
547 1 58 ALA H 1 60 GLU H . . 3.300 3.548 3.025 3.772 0.472 10 0 "[ . 1 . 2]" 1
548 1 58 ALA H 1 61 ASN H . . 3.600 3.943 3.643 4.028 0.428 9 0 "[ . 1 . 2]" 1
549 1 58 ALA H 1 59 THR HA . . 4.700 4.269 4.068 4.408 . 0 0 "[ . 1 . 2]" 1
550 1 29 LEU H 1 59 THR H . . 5.700 5.727 5.252 6.115 0.415 2 0 "[ . 1 . 2]" 1
551 1 58 ALA HA 1 59 THR H . . 3.540 3.427 3.238 3.503 . 0 0 "[ . 1 . 2]" 1
552 1 59 THR H 1 59 THR HB . . 3.700 3.288 2.627 3.691 . 0 0 "[ . 1 . 2]" 1
553 1 59 THR H 1 59 THR MG . . 3.400 2.774 1.926 3.734 0.334 10 0 "[ . 1 . 2]" 1
554 1 58 ALA MB 1 59 THR H . . 3.540 3.066 2.805 3.394 . 0 0 "[ . 1 . 2]" 1
555 1 29 LEU HG 1 59 THR H . . 5.900 6.214 5.695 6.591 0.691 10 5 "[-** . * + . 2]" 1
556 1 60 GLU H 1 60 GLU HB2 . . 2.500 2.558 2.498 2.664 0.164 11 0 "[ . 1 . 2]" 1
557 1 60 GLU H 1 60 GLU HG2 . . 4.200 3.411 2.331 3.916 . 0 0 "[ . 1 . 2]" 1
558 1 60 GLU H 1 62 PHE H . . 4.200 4.269 3.950 4.479 0.279 6 0 "[ . 1 . 2]" 1
559 1 60 GLU H 1 61 ASN QD . . 6.000 6.112 5.835 6.348 0.348 5 0 "[ . 1 . 2]" 1
560 1 59 THR HB 1 60 GLU H . . 4.200 3.291 2.473 4.239 0.039 20 0 "[ . 1 . 2]" 1
561 1 60 GLU H 1 61 ASN HA . . 5.200 4.817 4.600 4.944 . 0 0 "[ . 1 . 2]" 1
562 1 29 LEU HA 1 60 GLU H . . 5.500 5.607 5.163 6.013 0.513 2 1 "[ + . 1 . 2]" 1
563 1 57 ASP HA 1 60 GLU H . . 6.000 5.024 4.590 5.291 . 0 0 "[ . 1 . 2]" 1
564 1 57 ASP HB3 1 60 GLU H . . 4.850 4.839 4.597 5.109 0.259 19 0 "[ . 1 . 2]" 1
565 1 60 GLU H 1 61 ASN HB3 . . 4.200 4.324 4.118 4.535 0.335 5 0 "[ . 1 . 2]" 1
566 1 58 ALA MB 1 60 GLU H . . 5.200 4.736 4.423 4.995 . 0 0 "[ . 1 . 2]" 1
567 1 60 GLU HA 1 61 ASN H . . 3.800 3.562 3.517 3.584 . 0 0 "[ . 1 . 2]" 1
568 1 59 THR HB 1 61 ASN H . . 5.900 5.368 4.326 6.153 0.253 19 0 "[ . 1 . 2]" 1
569 1 57 ASP HB2 1 61 ASN H . . 5.200 5.073 4.834 5.298 0.098 20 0 "[ . 1 . 2]" 1
570 1 61 ASN H 1 62 PHE HB3 . . 4.800 5.199 4.944 5.341 0.541 6 5 "[** .+ 1 . -* 2]" 1
571 1 59 THR HA 1 61 ASN H . . 4.700 4.967 4.643 5.131 0.431 11 0 "[ . 1 . 2]" 1
572 1 61 ASN H 1 61 ASN HA . . 3.100 2.792 2.760 2.828 . 0 0 "[ . 1 . 2]" 1
573 1 61 ASN H 1 61 ASN HB3 . . 2.700 2.499 2.402 2.577 . 0 0 "[ . 1 . 2]" 1
574 1 61 ASN H 1 64 ASP HB2 . . 5.500 4.911 4.610 5.466 . 0 0 "[ . 1 . 2]" 1
575 1 62 PHE HA 1 63 GLU H . . 4.690 3.495 3.462 3.525 . 0 0 "[ . 1 . 2]" 1
576 1 61 ASN HA 1 63 GLU H . . 3.800 4.242 4.136 4.305 0.505 11 1 "[ . 1+ . 2]" 1
577 1 63 GLU H 1 63 GLU HB2 . . 2.800 2.737 2.634 2.962 0.162 9 0 "[ . 1 . 2]" 1
578 1 63 GLU H 1 65 VAL MG1 . . 5.600 5.507 4.982 5.939 0.339 1 0 "[ . 1 . 2]" 1
579 1 61 ASN H 1 64 ASP H . . 4.800 4.672 4.519 4.836 0.036 4 0 "[ . 1 . 2]" 1
580 1 61 ASN QD 1 64 ASP H . . 6.000 5.663 5.471 5.958 . 0 0 "[ . 1 . 2]" 1
581 1 62 PHE QD 1 64 ASP H . . 5.700 5.634 4.333 5.984 0.284 17 0 "[ . 1 . 2]" 1
582 1 63 GLU HA 1 64 ASP H . . 4.000 3.506 3.452 3.559 . 0 0 "[ . 1 . 2]" 1
583 1 64 ASP H 1 65 VAL HA . . 5.800 5.296 5.185 5.410 . 0 0 "[ . 1 . 2]" 1
584 1 64 ASP H 1 64 ASP HB2 . . 2.800 2.640 2.438 2.815 0.015 16 0 "[ . 1 . 2]" 1
585 1 61 ASN HB3 1 64 ASP H . . 5.400 5.409 5.190 5.645 0.245 4 0 "[ . 1 . 2]" 1
586 1 63 GLU HG2 1 64 ASP H . . 4.800 4.200 3.761 4.470 . 0 0 "[ . 1 . 2]" 1
587 1 64 ASP H 1 65 VAL MG2 . . 4.200 3.859 3.716 4.133 . 0 0 "[ . 1 . 2]" 1
588 1 64 ASP H 1 65 VAL H . . 2.800 2.675 2.521 2.830 0.030 10 0 "[ . 1 . 2]" 1
589 1 61 ASN HA 1 65 VAL H . . 5.400 3.472 3.272 3.692 . 0 0 "[ . 1 . 2]" 1
590 1 61 ASN HB2 1 65 VAL H . . 5.900 5.609 5.321 5.876 . 0 0 "[ . 1 . 2]" 1
591 1 64 ASP HB3 1 65 VAL H . . 2.860 2.279 2.112 2.447 . 0 0 "[ . 1 . 2]" 1
592 1 62 PHE HA 1 65 VAL H . . 4.550 4.533 4.265 4.723 0.173 19 0 "[ . 1 . 2]" 1
593 1 64 ASP HA 1 65 VAL H . . 3.900 3.552 3.533 3.573 . 0 0 "[ . 1 . 2]" 1
594 1 63 GLU HA 1 65 VAL H . . 4.500 4.942 4.579 5.068 0.568 6 7 "[* * .+ - 1 .*** 2]" 1
595 1 63 GLU HB3 1 65 VAL H . . 5.100 5.521 5.247 5.696 0.596 20 8 "[* * * *1 - .* *+]" 1
596 1 65 VAL H 1 66 GLY H . . 4.870 2.409 2.276 2.562 . 0 0 "[ . 1 . 2]" 1
597 1 61 ASN H 1 65 VAL H . . 6.100 5.872 5.751 5.986 . 0 0 "[ . 1 . 2]" 1
598 1 65 VAL H 1 65 VAL MG1 . . 2.500 2.195 2.017 2.345 . 0 0 "[ . 1 . 2]" 1
599 1 65 VAL H 1 65 VAL HA . . 3.100 2.884 2.836 2.926 . 0 0 "[ . 1 . 2]" 1
600 1 65 VAL H 1 65 VAL MG2 . . 2.500 2.190 2.047 2.312 . 0 0 "[ . 1 . 2]" 1
601 1 65 VAL H 1 65 VAL HB . . 3.800 3.658 3.617 3.689 . 0 0 "[ . 1 . 2]" 1
602 1 61 ASN QD 1 65 VAL H . . 5.400 4.975 4.498 5.226 . 0 0 "[ . 1 . 2]" 1
603 1 65 VAL MG1 1 66 GLY H . . 3.800 3.964 3.852 4.137 0.337 12 0 "[ . 1 . 2]" 1
604 1 50 LEU MD2 1 66 GLY H . . 5.300 5.110 4.853 5.363 0.063 10 0 "[ . 1 . 2]" 1
605 1 65 VAL HB 1 66 GLY H . . 5.420 4.123 3.964 4.319 . 0 0 "[ . 1 . 2]" 1
606 1 63 GLU HB2 1 66 GLY H . . 5.600 5.654 5.303 5.939 0.339 3 0 "[ . 1 . 2]" 1
607 1 61 ASN HA 1 66 GLY H . . 5.500 5.487 5.105 5.817 0.317 4 0 "[ . 1 . 2]" 1
608 1 63 GLU HA 1 66 GLY H . . 3.800 3.510 3.053 3.856 0.056 3 0 "[ . 1 . 2]" 1
609 1 65 VAL HA 1 66 GLY H . . 3.800 3.430 3.323 3.484 . 0 0 "[ . 1 . 2]" 1
610 1 66 GLY H 1 66 GLY HA2 . . 3.000 2.861 2.816 2.946 . 0 0 "[ . 1 . 2]" 1
611 1 66 GLY H 1 66 GLY HA3 . . 3.000 2.280 2.256 2.370 . 0 0 "[ . 1 . 2]" 1
612 1 69 THR HB 1 70 ASP H . . 3.700 3.313 2.282 4.039 0.339 6 0 "[ . 1 . 2]" 1
613 1 70 ASP HA 1 71 ALA H . . 3.500 3.588 3.562 3.622 0.122 14 0 "[ . 1 . 2]" 1
614 1 70 ASP QB 1 71 ALA H . . 4.610 2.484 2.270 2.733 . 0 0 "[ . 1 . 2]" 1
615 1 71 ALA H 1 72 ARG HG3 . . 3.900 4.132 3.770 4.316 0.416 17 0 "[ . 1 . 2]" 1
616 1 71 ALA H 1 72 ARG H . . 2.800 2.773 2.696 2.838 0.038 16 0 "[ . 1 . 2]" 1
617 1 71 ALA H 1 73 GLU H . . 4.200 4.477 4.340 4.619 0.419 11 0 "[ . 1 . 2]" 1
618 1 71 ALA H 1 74 LEU MD2 . . 5.340 4.917 3.877 5.912 0.572 19 3 "[ . 1 -. * +2]" 1
619 1 71 ALA H 1 74 LEU HB3 . . 5.950 5.989 4.517 6.391 0.441 13 0 "[ . 1 . 2]" 1
620 1 71 ALA H 1 71 ALA HA . . 3.100 2.782 2.756 2.835 . 0 0 "[ . 1 . 2]" 1
621 1 71 ALA H 1 71 ALA MB . . 2.900 2.249 2.214 2.293 . 0 0 "[ . 1 . 2]" 1
622 1 66 GLY HA2 1 71 ALA H . . 5.810 5.230 4.951 5.652 . 0 0 "[ . 1 . 2]" 1
623 1 66 GLY HA3 1 71 ALA H . . 5.500 4.533 4.135 4.859 . 0 0 "[ . 1 . 2]" 1
624 1 70 ASP QB 1 72 ARG H . . 4.910 4.596 4.510 4.679 . 0 0 "[ . 1 . 2]" 1
625 1 71 ALA HA 1 72 ARG H . . 3.500 3.495 3.443 3.524 0.024 18 0 "[ . 1 . 2]" 1
626 1 72 ARG H 1 73 GLU HB3 . . 5.100 5.224 4.976 5.494 0.394 1 0 "[ . 1 . 2]" 1
627 1 72 ARG H 1 73 GLU H . . 2.800 2.629 2.470 2.749 . 0 0 "[ . 1 . 2]" 1
628 1 71 ALA MB 1 72 ARG H . . 2.700 2.669 2.508 2.930 0.230 14 0 "[ . 1 . 2]" 1
629 1 72 ARG H 1 74 LEU MD2 . . 5.800 5.869 5.248 6.420 0.620 17 3 "[ . -1 . + *2]" 1
630 1 72 ARG H 1 72 ARG HD3 . . 3.800 4.007 3.675 4.249 0.449 11 0 "[ . 1 . 2]" 1
631 1 72 ARG H 1 72 ARG HG3 . . 2.400 2.144 1.967 2.384 . 0 0 "[ . 1 . 2]" 1
632 1 69 THR H 1 72 ARG H . . 5.000 5.274 5.038 5.444 0.444 19 0 "[ . 1 . 2]" 1
633 1 69 THR HB 1 72 ARG H . . 5.800 5.688 5.369 6.132 0.332 16 0 "[ . 1 . 2]" 1
634 1 72 ARG HA 1 73 GLU H . . 3.500 3.565 3.519 3.609 0.109 11 0 "[ . 1 . 2]" 1
635 1 72 ARG HB3 1 73 GLU H . . 4.200 3.747 3.525 4.017 . 0 0 "[ . 1 . 2]" 1
636 1 73 GLU H 1 74 LEU H . . 2.400 2.352 2.212 2.513 0.113 20 0 "[ . 1 . 2]" 1
637 1 72 ARG HD3 1 73 GLU H . . 4.900 5.050 4.654 5.401 0.501 8 1 "[ . + 1 . 2]" 1
638 1 73 GLU H 1 74 LEU MD2 . . 5.500 5.331 4.912 5.997 0.497 18 0 "[ . 1 . 2]" 1
639 1 73 GLU H 1 73 GLU HG3 . . 3.000 3.093 2.460 3.361 0.361 19 0 "[ . 1 . 2]" 1
640 1 73 GLU H 1 73 GLU HB2 . . 3.600 3.682 3.628 3.742 0.142 3 0 "[ . 1 . 2]" 1
641 1 73 GLU H 1 73 GLU HG2 . . 3.100 2.231 1.919 3.366 0.266 11 0 "[ . 1 . 2]" 1
642 1 73 GLU HA 1 74 LEU H . . 3.500 3.431 3.345 3.530 0.030 8 0 "[ . 1 . 2]" 1
643 1 73 GLU HG3 1 74 LEU H . . 4.240 2.953 2.486 3.400 . 0 0 "[ . 1 . 2]" 1
644 1 74 LEU H 1 74 LEU HA . . 3.100 2.891 2.844 2.946 . 0 0 "[ . 1 . 2]" 1
645 1 74 LEU H 1 74 LEU MD2 . . 4.000 3.889 3.519 4.376 0.376 18 0 "[ . 1 . 2]" 1
646 1 74 LEU H 1 74 LEU HB2 . . 2.700 2.338 2.155 2.669 . 0 0 "[ . 1 . 2]" 1
647 1 71 ALA H 1 74 LEU H . . 4.700 4.737 4.605 4.933 0.233 11 0 "[ . 1 . 2]" 1
648 1 70 ASP HA 1 74 LEU H . . 4.200 4.224 3.882 4.494 0.294 16 0 "[ . 1 . 2]" 1
649 1 71 ALA HA 1 74 LEU H . . 3.700 3.550 3.243 4.028 0.328 11 0 "[ . 1 . 2]" 1
650 1 70 ASP QB 1 74 LEU H . . 5.700 4.695 4.479 5.411 . 0 0 "[ . 1 . 2]" 1
651 1 73 GLU HB2 1 74 LEU H . . 3.900 4.158 3.837 4.359 0.459 11 0 "[ . 1 . 2]" 1
652 1 72 ARG HB2 1 74 LEU H . . 5.240 4.775 4.589 5.140 . 0 0 "[ . 1 . 2]" 1
653 1 71 ALA MB 1 74 LEU H . . 5.240 4.600 4.427 4.971 . 0 0 "[ . 1 . 2]" 1
654 1 76 LYS QZ 1 77 LYS H . . 5.630 4.184 3.628 5.163 . 0 0 "[ . 1 . 2]" 1
655 1 34 TYR QD 1 77 LYS H . . 4.800 5.243 4.816 5.396 0.596 7 7 "[ . +*-* * ** 2]" 1
656 1 76 LYS HE3 1 77 LYS H . . 5.100 4.650 3.659 5.439 0.339 18 0 "[ . 1 . 2]" 1
657 1 76 LYS HA 1 77 LYS H . . 3.500 3.446 3.361 3.525 0.025 12 0 "[ . 1 . 2]" 1
658 1 73 GLU HA 1 77 LYS H . . 5.500 5.485 4.872 6.117 0.617 18 1 "[ . 1 . + 2]" 1
659 1 77 LYS H 1 78 TYR HA . . 5.000 5.138 4.920 5.275 0.275 7 0 "[ . 1 . 2]" 1
660 1 77 LYS H 1 78 TYR QD . . 4.200 4.199 3.385 4.626 0.426 6 0 "[ . 1 . 2]" 1
661 1 77 LYS H 1 77 LYS QE . . 6.000 5.860 4.647 6.128 0.128 14 0 "[ . 1 . 2]" 1
662 1 77 LYS H 1 77 LYS HG3 . . 4.750 4.627 4.503 4.767 0.017 2 0 "[ . 1 . 2]" 1
663 1 77 LYS H 1 77 LYS HD3 . . 4.400 4.789 4.494 4.945 0.545 10 4 "[* . +* -. 2]" 1
664 1 77 LYS H 1 77 LYS HA . . 3.100 2.888 2.837 2.946 . 0 0 "[ . 1 . 2]" 1
665 1 76 LYS H 1 77 LYS H . . 2.750 2.675 2.305 2.817 0.067 9 0 "[ . 1 . 2]" 1
666 1 34 TYR HB3 1 78 TYR H . . 5.300 4.722 3.981 5.141 . 0 0 "[ . 1 . 2]" 1
667 1 35 ASP QB 1 78 TYR H . . 5.900 5.259 5.101 5.409 . 0 0 "[ . 1 . 2]" 1
668 1 77 LYS HD3 1 78 TYR H . . 4.700 4.060 3.336 5.011 0.311 11 0 "[ . 1 . 2]" 1
669 1 77 LYS HA 1 78 TYR H . . 4.210 3.537 3.486 3.572 . 0 0 "[ . 1 . 2]" 1
670 1 78 TYR H 1 79 ILE MG . . 5.440 4.237 3.794 4.496 . 0 0 "[ . 1 . 2]" 1
671 1 78 TYR H 1 78 TYR HA . . 3.100 2.935 2.917 2.960 . 0 0 "[ . 1 . 2]" 1
672 1 78 TYR H 1 78 TYR QD . . 3.500 2.874 2.185 3.411 . 0 0 "[ . 1 . 2]" 1
673 1 78 TYR H 1 78 TYR HB3 . . 3.600 3.632 3.572 3.711 0.111 11 0 "[ . 1 . 2]" 1
674 1 77 LYS H 1 78 TYR H . . 2.400 2.425 2.187 2.588 0.188 14 0 "[ . 1 . 2]" 1
675 1 78 TYR H 1 78 TYR QE . . 5.400 4.791 4.496 4.981 . 0 0 "[ . 1 . 2]" 1
676 1 78 TYR H 1 79 ILE HB . . 6.000 4.872 4.650 5.038 . 0 0 "[ . 1 . 2]" 1
677 1 35 ASP QB 1 79 ILE H . . 5.500 5.190 4.792 5.419 . 0 0 "[ . 1 . 2]" 1
678 1 34 TYR HB3 1 79 ILE H . . 5.500 5.372 5.094 5.995 0.495 13 0 "[ . 1 . 2]" 1
679 1 78 TYR HB3 1 79 ILE H . . 4.300 4.468 4.411 4.510 0.210 14 0 "[ . 1 . 2]" 1
680 1 35 ASP H 1 79 ILE H . . 5.190 5.006 4.865 5.068 . 0 0 "[ . 1 . 2]" 1
681 1 77 LYS H 1 79 ILE H . . 6.100 4.251 3.772 4.865 . 0 0 "[ . 1 . 2]" 1
682 1 78 TYR HA 1 79 ILE H . . 3.200 2.970 2.726 3.178 . 0 0 "[ . 1 . 2]" 1
683 1 78 TYR H 1 79 ILE H . . 4.500 2.922 2.480 3.221 . 0 0 "[ . 1 . 2]" 1
684 1 79 ILE H 1 80 ILE MG . . 5.400 5.603 5.299 5.757 0.357 16 0 "[ . 1 . 2]" 1
685 1 79 ILE H 1 79 ILE HA . . 3.100 2.861 2.842 2.896 . 0 0 "[ . 1 . 2]" 1
686 1 79 ILE H 1 79 ILE HB . . 3.100 2.756 2.677 2.875 . 0 0 "[ . 1 . 2]" 1
687 1 79 ILE H 1 79 ILE MG . . 2.200 1.939 1.862 2.084 . 0 0 "[ . 1 . 2]" 1
688 1 79 ILE H 1 79 ILE MD . . 4.700 4.263 4.210 4.326 . 0 0 "[ . 1 . 2]" 1
689 1 79 ILE H 1 79 ILE QG . . 4.400 4.112 4.073 4.151 . 0 0 "[ . 1 . 2]" 1
690 1 79 ILE MG 1 80 ILE H . . 4.610 4.314 4.134 4.371 . 0 0 "[ . 1 . 2]" 1
691 1 79 ILE MD 1 80 ILE H . . 3.700 2.807 2.293 3.097 . 0 0 "[ . 1 . 2]" 1
692 1 33 VAL QG 1 80 ILE H . . 5.500 3.707 3.538 3.845 . 0 0 "[ . 1 . 2]" 1
693 1 79 ILE H 1 80 ILE H . . 4.300 4.219 4.011 4.441 0.141 8 0 "[ . 1 . 2]" 1
694 1 79 ILE HA 1 80 ILE H . . 2.200 2.164 2.097 2.232 0.032 16 0 "[ . 1 . 2]" 1
695 1 80 ILE H 1 81 GLY H . . 4.300 2.134 1.791 2.274 . 0 0 "[ . 1 . 2]" 1
696 1 80 ILE H 1 80 ILE HA . . 3.100 2.945 2.926 2.969 . 0 0 "[ . 1 . 2]" 1
697 1 80 ILE H 1 80 ILE MD . . 4.600 4.584 4.494 4.728 0.128 8 0 "[ . 1 . 2]" 1
698 1 80 ILE H 1 80 ILE MG . . 2.300 2.112 1.989 2.212 . 0 0 "[ . 1 . 2]" 1
699 1 34 TYR QD 1 80 ILE H . . 5.300 3.860 3.368 4.755 . 0 0 "[ . 1 . 2]" 1
700 1 34 TYR HB2 1 80 ILE H . . 5.700 5.656 5.409 6.022 0.322 3 0 "[ . 1 . 2]" 1
701 1 80 ILE MD 1 81 GLY H . . 5.100 5.197 5.048 5.417 0.317 1 0 "[ . 1 . 2]" 1
702 1 11 TYR QE 1 81 GLY H . . 4.900 5.319 5.061 5.472 0.572 9 7 "[ -* . +1*** . * 2]" 1
703 1 34 TYR HA 1 81 GLY H . . 5.220 4.044 3.788 4.492 . 0 0 "[ . 1 . 2]" 1
704 1 79 ILE MG 1 81 GLY H . . 5.540 4.861 4.656 5.097 . 0 0 "[ . 1 . 2]" 1
705 1 80 ILE HA 1 81 GLY H . . 3.480 3.424 3.321 3.491 0.011 20 0 "[ . 1 . 2]" 1
706 1 80 ILE MG 1 81 GLY H . . 4.320 2.667 2.482 2.979 . 0 0 "[ . 1 . 2]" 1
707 1 80 ILE HB 1 81 GLY H . . 4.400 4.147 4.077 4.262 . 0 0 "[ . 1 . 2]" 1
708 1 81 GLY H 1 82 GLU QB . . 5.600 5.466 5.352 5.668 0.068 19 0 "[ . 1 . 2]" 1
709 1 32 LYS HD3 1 81 GLY H . . 6.100 5.127 4.706 6.790 0.690 2 1 "[ + . 1 . 2]" 1
710 1 33 VAL QG 1 81 GLY H . . 2.800 3.010 2.804 3.115 0.315 13 0 "[ . 1 . 2]" 1
711 1 79 ILE MD 1 81 GLY H . . 2.100 2.254 2.052 2.379 0.279 18 0 "[ . 1 . 2]" 1
712 1 79 ILE H 1 81 GLY H . . 6.000 5.776 5.598 6.053 0.053 3 0 "[ . 1 . 2]" 1
713 1 81 GLY H 1 81 GLY HA2 . . 2.700 2.698 2.635 2.758 0.058 20 0 "[ . 1 . 2]" 1
714 1 9 LYS H 1 81 GLY H . . 5.000 4.683 4.162 5.482 0.482 19 0 "[ . 1 . 2]" 1
715 1 79 ILE HA 1 81 GLY H . . 3.900 3.325 3.180 3.519 . 0 0 "[ . 1 . 2]" 1
716 1 9 LYS QB 1 82 GLU H . . 4.300 4.119 3.839 4.529 0.229 20 0 "[ . 1 . 2]" 1
717 1 33 VAL HB 1 82 GLU H . . 5.200 5.415 5.056 5.641 0.441 19 0 "[ . 1 . 2]" 1
718 1 10 TYR HB2 1 82 GLU H . . 5.700 6.007 5.885 6.155 0.455 19 0 "[ . 1 . 2]" 1
719 1 10 TYR HB3 1 82 GLU H . . 5.600 5.825 5.658 6.030 0.430 3 0 "[ . 1 . 2]" 1
720 1 10 TYR H 1 82 GLU H . . 5.500 4.652 4.552 4.905 . 0 0 "[ . 1 . 2]" 1
721 1 82 GLU H 1 83 LEU HA . . 5.500 4.980 4.826 5.170 . 0 0 "[ . 1 . 2]" 1
722 1 11 TYR QD 1 82 GLU H . . 5.540 4.134 3.710 4.476 . 0 0 "[ . 1 . 2]" 1
723 1 11 TYR QE 1 82 GLU H . . 5.500 5.671 5.231 6.024 0.524 9 1 "[ . +1 . 2]" 1
724 1 32 LYS HA 1 82 GLU H . . 5.800 5.001 4.609 5.220 . 0 0 "[ . 1 . 2]" 1
725 1 32 LYS QG 1 82 GLU H . . 5.100 4.361 4.149 4.718 . 0 0 "[ . 1 . 2]" 1
726 1 9 LYS HA 1 82 GLU H . . 5.000 4.770 4.491 5.094 0.094 14 0 "[ . 1 . 2]" 1
727 1 81 GLY HA2 1 82 GLU H . . 2.600 2.883 2.826 2.940 0.340 11 0 "[ . 1 . 2]" 1
728 1 33 VAL QG 1 82 GLU H . . 5.500 3.032 2.808 3.318 . 0 0 "[ . 1 . 2]" 1
729 1 79 ILE MD 1 82 GLU H . . 5.700 4.636 4.485 4.765 . 0 0 "[ . 1 . 2]" 1
730 1 80 ILE MG 1 82 GLU H . . 5.200 4.973 4.756 5.182 . 0 0 "[ . 1 . 2]" 1
731 1 81 GLY H 1 82 GLU H . . 4.300 4.332 4.242 4.391 0.091 19 0 "[ . 1 . 2]" 1
732 1 81 GLY HA3 1 82 GLU H . . 2.570 2.285 2.187 2.398 . 0 0 "[ . 1 . 2]" 1
733 1 82 GLU H 1 82 GLU HA . . 3.100 2.961 2.950 2.972 . 0 0 "[ . 1 . 2]" 1
734 1 82 GLU H 1 82 GLU HG3 . . 2.700 3.001 2.839 3.080 0.380 19 0 "[ . 1 . 2]" 1
735 1 82 GLU H 1 82 GLU QB . . 3.700 3.039 2.874 3.108 . 0 0 "[ . 1 . 2]" 1
736 1 11 TYR H 1 82 GLU H . . 3.550 3.697 3.144 3.960 0.410 20 0 "[ . 1 . 2]" 1
737 1 82 GLU H 1 83 LEU H . . 4.500 4.416 4.322 4.519 0.019 19 0 "[ . 1 . 2]" 1
738 1 9 LYS H 1 82 GLU H . . 3.800 3.528 3.084 3.942 0.142 14 0 "[ . 1 . 2]" 1
739 1 10 TYR QD 1 82 GLU H . . 5.500 4.867 4.470 5.074 . 0 0 "[ . 1 . 2]" 1
740 1 11 TYR QD 1 83 LEU H . . 5.900 6.062 5.743 6.275 0.375 3 0 "[ . 1 . 2]" 1
741 1 13 LEU QD 1 83 LEU H . . 5.900 6.004 5.769 6.144 0.244 3 0 "[ . 1 . 2]" 1
742 1 31 HIS HB3 1 83 LEU H . . 5.700 5.575 4.776 5.896 0.196 1 0 "[ . 1 . 2]" 1
743 1 33 VAL HB 1 83 LEU H . . 4.300 3.313 3.220 3.374 . 0 0 "[ . 1 . 2]" 1
744 1 82 GLU HG3 1 83 LEU H . . 4.500 4.172 3.963 4.446 . 0 0 "[ . 1 . 2]" 1
745 1 33 VAL HA 1 83 LEU H . . 5.800 4.342 4.232 4.442 . 0 0 "[ . 1 . 2]" 1
746 1 10 TYR HA 1 83 LEU H . . 5.300 5.224 5.038 5.613 0.313 14 0 "[ . 1 . 2]" 1
747 1 81 GLY H 1 83 LEU H . . 6.000 6.475 6.236 6.608 0.608 13 9 "[* *.* * 1**+*. - 2]" 1
748 1 82 GLU HA 1 83 LEU H . . 2.200 2.241 2.156 2.312 0.112 8 0 "[ . 1 . 2]" 1
749 1 83 LEU H 1 84 HIS H . . 4.550 4.567 4.529 4.606 0.056 2 0 "[ . 1 . 2]" 1
750 1 83 LEU H 1 83 LEU HA . . 3.100 2.872 2.845 2.896 . 0 0 "[ . 1 . 2]" 1
751 1 83 LEU H 1 83 LEU QB . . 2.400 2.226 2.177 2.271 . 0 0 "[ . 1 . 2]" 1
752 1 83 LEU H 1 83 LEU MD2 . . 3.900 3.987 3.855 4.068 0.168 11 0 "[ . 1 . 2]" 1
753 1 32 LYS HA 1 83 LEU H . . 2.300 1.827 1.709 1.976 . 0 0 "[ . 1 . 2]" 1
754 1 31 HIS HA 1 83 LEU H . . 5.200 4.745 4.441 5.176 . 0 0 "[ . 1 . 2]" 1
755 1 28 ILE HB 1 83 LEU H . . 4.900 4.929 4.532 5.146 0.246 10 0 "[ . 1 . 2]" 1
756 1 33 VAL QG 1 83 LEU H . . 4.300 3.130 2.937 3.285 . 0 0 "[ . 1 . 2]" 1
757 1 79 ILE MD 1 83 LEU H . . 5.900 5.842 5.484 6.064 0.164 8 0 "[ . 1 . 2]" 1
758 1 10 TYR HB3 1 84 HIS H . . 4.800 4.574 4.142 5.257 0.457 14 0 "[ . 1 . 2]" 1
759 1 84 HIS H 1 87 ASP HB3 . . 4.300 4.595 4.252 4.850 0.550 2 1 "[ + . 1 . 2]" 1
760 1 11 TYR H 1 84 HIS H . . 4.130 4.160 3.753 4.519 0.389 14 0 "[ . 1 . 2]" 1
761 1 82 GLU HG3 1 84 HIS H . . 5.470 5.344 4.927 5.783 0.313 6 0 "[ . 1 . 2]" 1
762 1 33 VAL HB 1 84 HIS H . . 5.800 5.148 4.971 5.364 . 0 0 "[ . 1 . 2]" 1
763 1 83 LEU QB 1 84 HIS H . . 4.300 3.482 3.403 3.563 . 0 0 "[ . 1 . 2]" 1
764 1 84 HIS H 1 88 ARG HB3 . . 6.000 5.170 4.688 5.701 . 0 0 "[ . 1 . 2]" 1
765 1 13 LEU QD 1 84 HIS H . . 5.450 5.182 4.896 5.347 . 0 0 "[ . 1 . 2]" 1
766 1 83 LEU MD2 1 84 HIS H . . 2.400 2.439 2.009 2.718 0.318 2 0 "[ . 1 . 2]" 1
767 1 12 THR HA 1 84 HIS H . . 3.200 3.041 2.735 3.595 0.395 9 0 "[ . 1 . 2]" 1
768 1 84 HIS H 1 85 PRO HD2 . . 4.850 4.747 4.620 4.923 0.073 16 0 "[ . 1 . 2]" 1
769 1 84 HIS H 1 87 ASP H . . 5.500 4.620 4.511 4.735 . 0 0 "[ . 1 . 2]" 1
770 1 84 HIS H 1 88 ARG HA . . 6.100 6.330 5.975 6.734 0.634 11 2 "[ . 1+ - 2]" 1
771 1 10 TYR HA 1 84 HIS H . . 5.300 4.571 4.314 5.220 . 0 0 "[ . 1 . 2]" 1
772 1 83 LEU HA 1 84 HIS H . . 2.300 2.246 2.194 2.297 . 0 0 "[ . 1 . 2]" 1
773 1 84 HIS H 1 84 HIS HB2 . . 2.400 2.324 2.200 2.457 0.057 11 0 "[ . 1 . 2]" 1
774 1 84 HIS H 1 84 HIS HD2 . . 4.500 4.765 4.591 4.905 0.405 11 0 "[ . 1 . 2]" 1
775 1 13 LEU HB2 1 84 HIS H . . 6.000 4.936 4.715 5.152 . 0 0 "[ . 1 . 2]" 1
776 1 12 THR MG 1 84 HIS H . . 5.100 4.347 3.853 5.464 0.364 9 0 "[ . 1 . 2]" 1
777 1 84 HIS H 1 86 ASP H . . 5.430 5.621 5.396 5.820 0.390 3 0 "[ . 1 . 2]" 1
778 1 84 HIS HD2 1 86 ASP H . . 5.950 4.761 4.347 5.120 . 0 0 "[ . 1 . 2]" 1
779 1 85 PRO HB3 1 86 ASP H . . 4.200 4.238 4.002 4.408 0.208 16 0 "[ . 1 . 2]" 1
780 1 85 PRO HD2 1 86 ASP H . . 4.450 3.419 3.094 3.621 . 0 0 "[ . 1 . 2]" 1
781 1 85 PRO HG3 1 86 ASP H . . 4.100 4.413 4.111 4.576 0.476 8 0 "[ . 1 . 2]" 1
782 1 86 ASP H 1 87 ASP H . . 2.800 2.591 2.417 2.781 . 0 0 "[ . 1 . 2]" 1
783 1 86 ASP H 1 87 ASP HA . . 5.090 5.208 5.036 5.377 0.287 12 0 "[ . 1 . 2]" 1
784 1 86 ASP H 1 88 ARG H . . 4.200 4.317 4.126 4.466 0.266 11 0 "[ . 1 . 2]" 1
785 1 86 ASP H 1 86 ASP HA . . 3.100 2.861 2.818 2.899 . 0 0 "[ . 1 . 2]" 1
786 1 86 ASP H 1 86 ASP HB2 . . 2.300 2.589 2.518 2.655 0.355 18 0 "[ . 1 . 2]" 1
787 1 85 PRO HD2 1 87 ASP H . . 5.120 4.973 4.770 5.166 0.046 11 0 "[ . 1 . 2]" 1
788 1 86 ASP HA 1 87 ASP H . . 3.500 3.564 3.525 3.589 0.089 16 0 "[ . 1 . 2]" 1
789 1 87 ASP H 1 88 ARG HA . . 5.460 5.274 5.119 5.351 . 0 0 "[ . 1 . 2]" 1
790 1 87 ASP H 1 88 ARG HE . . 5.200 5.706 5.504 5.836 0.636 5 11 "[ **+** ** * *- * 2]" 1
791 1 84 HIS HD2 1 87 ASP H . . 5.800 5.574 5.230 5.802 0.002 2 0 "[ . 1 . 2]" 1
792 1 87 ASP H 1 90 LYS HD3 . . 5.400 4.627 3.854 5.689 0.289 18 0 "[ . 1 . 2]" 1
793 1 83 LEU MD2 1 87 ASP H . . 5.250 5.504 4.942 5.773 0.523 17 1 "[ . 1 . + 2]" 1
794 1 87 ASP H 1 88 ARG HB3 . . 4.860 5.109 4.822 5.391 0.531 9 1 "[ . +1 . 2]" 1
795 1 87 ASP H 1 87 ASP HA . . 3.100 2.852 2.812 2.896 . 0 0 "[ . 1 . 2]" 1
796 1 87 ASP H 1 87 ASP HB2 . . 2.700 2.259 2.186 2.335 . 0 0 "[ . 1 . 2]" 1
797 1 84 HIS HB3 1 87 ASP H . . 3.200 2.605 2.452 2.837 . 0 0 "[ . 1 . 2]" 1
798 1 87 ASP H 1 91 ILE H . . 6.000 6.027 5.811 6.368 0.368 4 0 "[ . 1 . 2]" 1
799 1 13 LEU HB2 1 87 ASP H . . 5.800 5.405 5.219 5.570 . 0 0 "[ . 1 . 2]" 1
800 1 85 PRO HG2 1 87 ASP H . . 5.200 5.442 4.965 5.756 0.556 7 4 "[ * - +* 1 . 2]" 1
801 1 87 ASP H 1 88 ARG HG2 . . 4.900 5.203 4.553 5.412 0.512 14 1 "[ . 1 +. 2]" 1
802 1 85 PRO HD2 1 88 ARG H . . 6.000 6.245 6.069 6.468 0.468 11 0 "[ . 1 . 2]" 1
803 1 86 ASP HA 1 88 ARG H . . 4.600 4.576 4.303 4.756 0.156 12 0 "[ . 1 . 2]" 1
804 1 86 ASP HB3 1 88 ARG H . . 5.400 5.070 4.928 5.265 . 0 0 "[ . 1 . 2]" 1
805 1 87 ASP HA 1 88 ARG H . . 3.500 3.516 3.470 3.563 0.063 11 0 "[ . 1 . 2]" 1
806 1 87 ASP H 1 88 ARG H . . 2.800 2.663 2.491 2.787 . 0 0 "[ . 1 . 2]" 1
807 1 13 LEU QD 1 88 ARG H . . 3.950 4.100 3.778 4.279 0.329 1 0 "[ . 1 . 2]" 1
808 1 88 ARG H 1 88 ARG HE . . 4.700 4.426 4.280 4.624 . 0 0 "[ . 1 . 2]" 1
809 1 88 ARG H 1 88 ARG HA . . 3.000 2.842 2.803 2.861 . 0 0 "[ . 1 . 2]" 1
810 1 88 ARG H 1 88 ARG HD2 . . 4.300 4.016 3.784 4.568 0.268 9 0 "[ . 1 . 2]" 1
811 1 88 ARG H 1 88 ARG HB3 . . 2.800 2.661 2.521 2.956 0.156 9 0 "[ . 1 . 2]" 1
812 1 88 ARG H 1 88 ARG HG2 . . 2.900 3.237 2.755 3.295 0.395 7 0 "[ . 1 . 2]" 1
813 1 88 ARG HG2 1 89 SER H . . 4.470 4.167 4.018 4.369 . 0 0 "[ . 1 . 2]" 1
814 1 13 LEU QD 1 89 SER H . . 4.700 4.751 4.461 5.030 0.330 11 0 "[ . 1 . 2]" 1
815 1 88 ARG HB2 1 89 SER H . . 3.500 3.934 3.825 4.039 0.539 1 4 "[+ . 1 - . * *2]" 1
816 1 88 ARG H 1 89 SER H . . 2.800 2.596 2.518 2.711 . 0 0 "[ . 1 . 2]" 1
817 1 88 ARG HB3 1 89 SER H . . 4.000 4.150 4.075 4.367 0.367 9 0 "[ . 1 . 2]" 1
818 1 89 SER H 1 90 LYS HA . . 5.240 4.959 4.789 5.259 0.019 11 0 "[ . 1 . 2]" 1
819 1 87 ASP HA 1 89 SER H . . 4.400 4.022 3.829 4.229 . 0 0 "[ . 1 . 2]" 1
820 1 88 ARG HA 1 89 SER H . . 3.500 3.476 3.419 3.537 0.037 6 0 "[ . 1 . 2]" 1
821 1 89 SER H 1 89 SER HB3 . . 2.300 2.481 2.389 2.558 0.258 3 0 "[ . 1 . 2]" 1
822 1 89 SER H 1 89 SER HA . . 3.100 2.917 2.830 2.951 . 0 0 "[ . 1 . 2]" 1
823 1 87 ASP HB2 1 89 SER H . . 5.400 5.249 5.070 5.513 0.113 6 0 "[ . 1 . 2]" 1
824 1 13 LEU HB2 1 89 SER H . . 6.000 6.066 5.775 6.423 0.423 11 0 "[ . 1 . 2]" 1
825 1 28 ILE MD 1 89 SER H . . 5.800 5.757 5.091 6.242 0.442 1 0 "[ . 1 . 2]" 1
826 1 87 ASP HA 1 90 LYS H . . 3.400 3.084 2.785 3.427 0.027 10 0 "[ . 1 . 2]" 1
827 1 88 ARG H 1 90 LYS H . . 4.200 3.932 3.777 4.451 0.251 10 0 "[ . 1 . 2]" 1
828 1 89 SER H 1 90 LYS H . . 2.800 2.282 2.078 2.595 . 0 0 "[ . 1 . 2]" 1
829 1 89 SER HA 1 90 LYS H . . 3.500 3.514 3.411 3.611 0.111 10 0 "[ . 1 . 2]" 1
830 1 90 LYS H 1 90 LYS HA . . 3.000 2.821 2.760 2.919 . 0 0 "[ . 1 . 2]" 1
831 1 87 ASP H 1 90 LYS H . . 4.700 4.654 4.483 4.954 0.254 10 0 "[ . 1 . 2]" 1
832 1 89 SER HB3 1 91 ILE H . . 5.610 5.446 4.901 5.804 0.194 15 0 "[ . 1 . 2]" 1
833 1 88 ARG HA 1 91 ILE H . . 4.600 4.036 3.401 4.403 . 0 0 "[ . 1 . 2]" 1
834 1 90 LYS HA 1 91 ILE H . . 4.270 3.561 3.496 3.606 . 0 0 "[ . 1 . 2]" 1
835 1 87 ASP HA 1 91 ILE H . . 3.600 3.671 3.262 4.038 0.438 11 0 "[ . 1 . 2]" 1
836 1 13 LEU QD 1 91 ILE H . . 5.500 3.118 2.615 3.443 . 0 0 "[ . 1 . 2]" 1
837 1 83 LEU MD1 1 91 ILE H . . 5.200 5.145 4.976 5.437 0.237 10 0 "[ . 1 . 2]" 1
838 1 89 SER HA 1 91 ILE H . . 4.800 4.747 4.211 5.217 0.417 4 0 "[ . 1 . 2]" 1
839 1 87 ASP HB3 1 91 ILE H . . 4.900 4.615 4.247 5.002 0.102 10 0 "[ . 1 . 2]" 1
840 1 90 LYS HD3 1 91 ILE H . . 4.700 4.545 3.904 5.262 0.562 10 1 "[ . + . 2]" 1
841 1 13 LEU HB2 1 91 ILE H . . 5.000 5.006 4.473 5.465 0.465 10 0 "[ . 1 . 2]" 1
842 1 13 LEU HB3 1 91 ILE H . . 4.300 4.012 3.397 4.487 0.187 10 0 "[ . 1 . 2]" 1
843 1 91 ILE H 1 92 ALA HA . . 4.800 4.549 4.319 4.815 0.015 4 0 "[ . 1 . 2]" 1
844 1 88 ARG H 1 91 ILE H . . 5.100 4.967 4.748 5.287 0.187 4 0 "[ . 1 . 2]" 1
845 1 91 ILE H 1 91 ILE MD . . 4.000 3.921 3.698 4.184 0.184 6 0 "[ . 1 . 2]" 1
846 1 91 ILE H 1 91 ILE HB . . 3.000 2.748 2.589 2.821 . 0 0 "[ . 1 . 2]" 1
847 1 91 ILE H 1 91 ILE HA . . 3.000 2.966 2.945 2.983 . 0 0 "[ . 1 . 2]" 1
848 1 91 ILE H 1 92 ALA MB . . 4.800 4.328 4.141 4.884 0.084 15 0 "[ . 1 . 2]" 1
849 1 90 LYS H 1 92 ALA H . . 5.180 4.288 3.795 4.982 . 0 0 "[ . 1 . 2]" 1
850 1 90 LYS HA 1 92 ALA H . . 4.230 4.321 3.878 4.630 0.400 15 0 "[ . 1 . 2]" 1
851 1 91 ILE HG13 1 92 ALA H . . 4.500 4.852 4.667 5.037 0.537 15 2 "[ . 1 + - 2]" 1
852 1 91 ILE MG 1 92 ALA H . . 5.650 4.241 3.895 4.348 . 0 0 "[ . 1 . 2]" 1
853 1 91 ILE H 1 92 ALA H . . 4.250 2.876 2.589 3.655 . 0 0 "[ . 1 . 2]" 1
854 1 91 ILE HA 1 92 ALA H . . 4.140 2.780 2.392 3.079 . 0 0 "[ . 1 . 2]" 1
855 1 92 ALA H 1 92 ALA HA . . 3.000 2.818 2.768 2.855 . 0 0 "[ . 1 . 2]" 1
856 1 92 ALA H 1 92 ALA MB . . 2.300 2.251 2.210 2.277 . 0 0 "[ . 1 . 2]" 1
857 1 92 ALA H 1 93 LYS HG2 . . 5.300 5.114 4.382 5.873 0.573 1 3 "[+ . 1 - *2]" 1
858 1 92 ALA MB 1 93 LYS H . . 3.500 2.558 2.275 2.887 . 0 0 "[ . 1 . 2]" 1
859 1 92 ALA HA 1 93 LYS H . . 3.800 3.514 3.444 3.560 . 0 0 "[ . 1 . 2]" 1
860 1 91 ILE HA 1 93 LYS H . . 3.800 3.420 3.067 3.826 0.026 4 0 "[ . 1 . 2]" 1
861 1 91 ILE HG13 1 93 LYS H . . 6.000 6.462 6.158 6.692 0.692 13 8 "[- ** * *1* +*. 2]" 1
862 1 93 LYS H 1 93 LYS HA . . 3.100 2.872 2.799 2.903 . 0 0 "[ . 1 . 2]" 1
863 1 93 LYS H 1 93 LYS HD3 . . 5.100 4.456 2.124 5.385 0.285 7 0 "[ . 1 . 2]" 1
864 1 93 LYS H 1 93 LYS HG3 . . 4.500 3.622 2.845 4.478 . 0 0 "[ . 1 . 2]" 1
865 1 95 SER HA 1 96 GLU H . . 4.510 2.593 2.134 3.602 . 0 0 "[ . 1 . 2]" 1
866 1 96 GLU H 1 96 GLU HA . . 3.100 2.869 2.732 2.951 . 0 0 "[ . 1 . 2]" 1
867 1 95 SER HA 1 98 LEU H . . 5.860 4.352 3.017 6.122 0.262 7 0 "[ . 1 . 2]" 1
868 1 96 GLU H 1 98 LEU H . . 3.800 3.834 2.625 4.206 0.406 5 0 "[ . 1 . 2]" 1
869 1 96 GLU HA 1 98 LEU H . . 5.000 4.502 3.241 5.579 0.579 4 2 "[ +. - 1 . 2]" 1
870 1 97 THR MG 1 98 LEU H . . 3.100 2.550 1.864 3.293 0.193 14 0 "[ . 1 . 2]" 1
871 1 97 THR HA 1 98 LEU H . . 3.790 3.467 3.183 3.636 . 0 0 "[ . 1 . 2]" 1
872 1 98 LEU H 1 98 LEU MD1 . . 4.200 4.045 2.566 4.770 0.570 20 1 "[ . 1 . +]" 1
873 1 98 LEU H 1 98 LEU HA . . 3.100 2.765 2.219 2.977 . 0 0 "[ . 1 . 2]" 1
874 1 98 LEU H 1 98 LEU HG . . 4.900 4.223 2.581 4.964 0.064 10 0 "[ . 1 . 2]" 1
875 1 98 LEU H 1 98 LEU HB2 . . 3.100 2.772 2.343 3.449 0.349 1 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 166
_Distance_constraint_stats_list.Viol_count 717
_Distance_constraint_stats_list.Viol_total 4440.568
_Distance_constraint_stats_list.Viol_max 0.913
_Distance_constraint_stats_list.Viol_rms 0.1585
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0669
_Distance_constraint_stats_list.Viol_average_violations_only 0.3097
_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 GLN 0.695 0.375 13 0 "[ . 1 . 2]"
1 9 LYS 3.718 0.718 12 3 "[ * . - 1 + . 2]"
1 10 TYR 9.723 0.536 10 3 "[ -. + * 2]"
1 11 TYR 11.257 0.718 12 10 "[ * ** * * +- . ***]"
1 13 LEU 3.764 0.402 10 0 "[ . 1 . 2]"
1 14 GLU 0.784 0.339 1 0 "[ . 1 . 2]"
1 15 GLU 7.002 0.657 10 9 "[ * ** * + - . ***]"
1 16 ILE 8.186 0.762 16 6 "[ .* *1 -.+* *2]"
1 19 HIS 17.868 0.762 16 15 "[* *.***** ***-+***2]"
1 21 ASP 6.769 0.609 10 5 "[ *- * + .* 2]"
1 22 SER 6.613 0.609 10 5 "[ *- * + .* 2]"
1 23 LYS 0.352 0.155 16 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TRP 12.537 0.729 19 12 "[* *. **** ***- *+2]"
1 27 VAL 9.420 0.697 14 9 "[ **- * 1 * +.*** 2]"
1 28 ILE 11.885 0.632 10 4 "[ * . * + . -2]"
1 29 LEU 0.219 0.145 14 0 "[ . 1 . 2]"
1 30 HIS 1.097 0.488 19 0 "[ . 1 . 2]"
1 31 HIS 11.770 0.632 10 9 "[ * *. *-+* ** *2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.733 0.173 10 0 "[ . 1 . 2]"
1 34 TYR 11.212 0.697 14 9 "[ **- * 1 * +.*** 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 5.901 0.559 10 1 "[ . + . 2]"
1 37 THR 9.519 0.763 11 11 "[** *- **1+***. *]"
1 38 LYS 4.759 0.642 16 4 "[ . - 1 *+ *2]"
1 39 PHE 4.870 0.441 20 0 "[ . 1 . 2]"
1 40 LEU 1.046 0.165 5 0 "[ . 1 . 2]"
1 42 GLU 8.538 0.648 7 7 "[ - . + * * ** *]"
1 43 PHE 63.835 0.913 18 20 [*-***************+**]
1 46 GLY 0.337 0.127 18 0 "[ . 1 . 2]"
1 47 GLU 0.707 0.165 5 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 17.848 0.712 7 18 "[** ***+********* -**]"
1 50 LEU 11.334 0.422 7 0 "[ . 1 . 2]"
1 51 ARG 3.206 0.433 12 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 0.653 0.559 10 1 "[ . + . 2]"
1 65 VAL 4.327 0.455 1 0 "[ . 1 . 2]"
1 66 GLY 1.525 0.281 18 0 "[ . 1 . 2]"
1 67 PHE 41.373 0.913 18 16 "[* *-*****1***** *+*2]"
1 70 ASP 0.201 0.201 18 0 "[ . 1 . 2]"
1 71 ALA 1.896 0.509 4 1 "[ +. 1 . 2]"
1 72 ARG 5.657 0.634 6 6 "[ *.+* 1-* * 2]"
1 74 LEU 9.497 0.611 9 6 "[ * +1 * . -**2]"
1 76 LYS 6.003 0.585 9 7 "[ * . - +1* *. **]"
1 77 LYS 18.139 0.608 10 12 "[** . -**+** *.* **]"
1 78 TYR 33.369 0.763 11 17 "[** ** ****+-**** ***]"
1 79 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 12.246 0.713 11 18 "[***** -***+** ******]"
1 84 HIS 20.064 0.713 11 18 "[***-* ****+** ******]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 5.497 0.615 15 5 "[ *. -1* *+ 2]"
1 90 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ILE 7.083 0.612 6 3 "[ .+ * .- 2]"
1 92 ALA 0.663 0.414 15 0 "[ . 1 . 2]"
1 94 PRO 3.575 0.612 6 3 "[ .+ * .- 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 16 ILE MD 1 83 LEU QB . . 5.500 4.103 3.915 4.298 . 0 0 "[ . 1 . 2]" 2
2 1 13 LEU HB3 1 16 ILE MD . . 5.500 4.937 4.658 5.188 . 0 0 "[ . 1 . 2]" 2
3 1 16 ILE MD 1 28 ILE HB . . 5.500 5.045 4.535 5.424 . 0 0 "[ . 1 . 2]" 2
4 1 13 LEU QD 1 16 ILE HB . . 5.500 2.277 1.873 2.539 . 0 0 "[ . 1 . 2]" 2
5 1 13 LEU QD 1 83 LEU MD2 . . 5.500 2.374 2.129 2.526 . 0 0 "[ . 1 . 2]" 2
6 1 27 VAL QG 1 50 LEU QB . . 5.930 3.653 3.452 3.850 . 0 0 "[ . 1 . 2]" 2
7 1 27 VAL QG 1 78 TYR HB2 . . 5.700 5.488 5.122 5.837 0.137 19 0 "[ . 1 . 2]" 2
8 1 13 LEU HG 1 28 ILE MD . . 5.300 5.031 4.148 5.702 0.402 10 0 "[ . 1 . 2]" 2
9 1 28 ILE MD 1 33 VAL HB . . 6.000 5.803 5.019 6.173 0.173 10 0 "[ . 1 . 2]" 2
10 1 28 ILE MD 1 88 ARG QB . . 3.500 2.585 2.225 2.910 . 0 0 "[ . 1 . 2]" 2
11 1 28 ILE MD 1 31 HIS HB3 . . 5.700 6.068 5.713 6.332 0.632 10 4 "[ * . * + . -2]" 2
12 1 28 ILE MD 1 92 ALA MB . . 5.300 4.746 3.008 5.714 0.414 15 0 "[ . 1 . 2]" 2
13 1 33 VAL QG 1 83 LEU MD1 . . 5.400 4.540 4.353 4.915 . 0 0 "[ . 1 . 2]" 2
14 1 27 VAL QG 1 33 VAL QG . . 5.800 4.004 3.886 4.203 . 0 0 "[ . 1 . 2]" 2
15 1 29 LEU MD2 1 33 VAL QG . . 5.850 5.265 4.925 5.995 0.145 14 0 "[ . 1 . 2]" 2
16 1 13 LEU QD 1 33 VAL QG . . 5.650 3.873 3.622 4.113 . 0 0 "[ . 1 . 2]" 2
17 1 36 LEU MD2 1 40 LEU HG . . 5.600 5.322 4.835 5.674 0.074 18 0 "[ . 1 . 2]" 2
18 1 36 LEU MD2 1 58 ALA MB . . 5.500 4.094 3.761 4.332 . 0 0 "[ . 1 . 2]" 2
19 1 36 LEU MD2 1 50 LEU MD2 . . 5.800 2.825 1.984 3.374 . 0 0 "[ . 1 . 2]" 2
20 1 27 VAL QG 1 36 LEU MD2 . . 5.000 1.771 1.677 1.864 . 0 0 "[ . 1 . 2]" 2
21 1 25 THR MG 1 40 LEU QD . . 5.500 2.169 1.926 2.641 . 0 0 "[ . 1 . 2]" 2
22 1 37 THR MG 1 40 LEU QD . . 5.500 3.723 3.407 4.417 . 0 0 "[ . 1 . 2]" 2
23 1 40 LEU QD 1 47 GLU HB3 . . 3.500 3.479 3.185 3.665 0.165 5 0 "[ . 1 . 2]" 2
24 1 23 LYS HB3 1 40 LEU QD . . 5.700 5.595 5.209 5.827 0.127 2 0 "[ . 1 . 2]" 2
25 1 40 LEU QD 1 49 VAL MG1 . . 6.000 5.247 5.040 5.546 . 0 0 "[ . 1 . 2]" 2
26 1 40 LEU QD 1 50 LEU MD1 . . 3.900 2.381 2.215 2.848 . 0 0 "[ . 1 . 2]" 2
27 1 49 VAL HB 1 49 VAL MG1 . . 2.000 2.136 2.127 2.146 0.146 4 0 "[ . 1 . 2]" 2
28 1 48 GLU HG3 1 49 VAL MG1 . . 5.500 4.155 3.337 5.185 . 0 0 "[ . 1 . 2]" 2
29 1 49 VAL MG1 1 50 LEU QB . . 5.600 2.850 2.657 3.009 . 0 0 "[ . 1 . 2]" 2
30 1 49 VAL MG1 1 51 ARG HB3 . . 5.900 6.037 5.737 6.333 0.433 12 0 "[ . 1 . 2]" 2
31 1 49 VAL MG1 1 65 VAL HB . . 3.950 2.245 2.001 2.641 . 0 0 "[ . 1 . 2]" 2
32 1 25 THR MG 1 50 LEU MD1 . . 5.400 2.586 2.118 3.586 . 0 0 "[ . 1 . 2]" 2
33 1 36 LEU HG 1 50 LEU MD1 . . 5.900 3.364 2.867 3.829 . 0 0 "[ . 1 . 2]" 2
34 1 36 LEU HB2 1 50 LEU MD2 . . 5.200 5.426 5.036 5.622 0.422 7 0 "[ . 1 . 2]" 2
35 1 50 LEU MD1 1 51 ARG HB3 . . 5.500 3.863 2.643 4.558 . 0 0 "[ . 1 . 2]" 2
36 1 58 ALA MB 1 65 VAL MG2 . . 6.000 5.685 5.258 5.937 . 0 0 "[ . 1 . 2]" 2
37 1 49 VAL MG1 1 65 VAL MG2 . . 5.500 3.206 2.692 3.430 . 0 0 "[ . 1 . 2]" 2
38 1 83 LEU MD2 1 88 ARG HB3 . . 5.700 4.482 4.206 4.670 . 0 0 "[ . 1 . 2]" 2
39 1 13 LEU HB2 1 83 LEU MD2 . . 5.800 2.488 1.803 2.832 . 0 0 "[ . 1 . 2]" 2
40 1 14 GLU HG3 1 91 ILE MD . . 4.000 3.345 2.770 4.339 0.339 1 0 "[ . 1 . 2]" 2
41 1 14 GLU HB3 1 91 ILE MD . . 4.000 3.812 3.524 4.108 0.108 15 0 "[ . 1 . 2]" 2
42 1 13 LEU HB3 1 91 ILE MD . . 2.500 2.561 2.116 2.819 0.319 6 0 "[ . 1 . 2]" 2
43 1 91 ILE MD 1 94 PRO HG3 . . 4.900 4.871 4.071 5.512 0.612 6 3 "[ .+ * .- 2]" 2
44 1 16 ILE HB 1 91 ILE MD . . 6.100 5.490 5.001 6.051 . 0 0 "[ . 1 . 2]" 2
45 1 3 GLN HG3 1 10 TYR QD . . 5.100 4.151 1.971 5.475 0.375 13 0 "[ . 1 . 2]" 2
46 1 9 LYS QB 1 10 TYR QD . . 5.000 4.957 4.584 5.184 0.184 18 0 "[ . 1 . 2]" 2
47 1 10 TYR QD 1 85 PRO HG3 . . 5.500 4.744 3.862 5.492 . 0 0 "[ . 1 . 2]" 2
48 1 10 TYR QD 1 82 GLU HG3 . . 4.750 3.505 3.053 3.741 . 0 0 "[ . 1 . 2]" 2
49 1 10 TYR QD 1 84 HIS HA . . 4.530 2.713 2.106 4.051 . 0 0 "[ . 1 . 2]" 2
50 1 10 TYR QD 1 84 HIS HD2 . . 3.940 2.516 1.750 3.447 . 0 0 "[ . 1 . 2]" 2
51 1 10 TYR QD 1 85 PRO HD2 . . 5.000 2.893 2.155 4.031 . 0 0 "[ . 1 . 2]" 2
52 1 9 LYS QB 1 11 TYR QE . . 4.300 2.304 1.911 2.752 . 0 0 "[ . 1 . 2]" 2
53 1 11 TYR QE 1 15 GLU HG3 . . 5.000 5.276 4.154 5.657 0.657 10 9 "[ * ** * + - . ***]" 2
54 1 11 TYR QE 1 26 TRP HD1 . . 5.500 5.154 4.612 5.357 . 0 0 "[ . 1 . 2]" 2
55 1 11 TYR QE 1 26 TRP HZ2 . . 4.460 3.378 3.066 3.910 . 0 0 "[ . 1 . 2]" 2
56 1 11 TYR QE 1 33 VAL QG . . 4.670 3.542 3.297 3.713 . 0 0 "[ . 1 . 2]" 2
57 1 11 TYR QE 1 80 ILE HB . . 5.600 5.055 4.664 5.371 . 0 0 "[ . 1 . 2]" 2
58 1 11 TYR QE 1 81 GLY HA3 . . 4.450 4.056 3.631 4.444 . 0 0 "[ . 1 . 2]" 2
59 1 11 TYR QE 1 26 TRP QB . . 4.850 4.692 4.447 4.784 . 0 0 "[ . 1 . 2]" 2
60 1 9 LYS HD3 1 11 TYR QD . . 5.830 4.815 3.945 5.992 0.162 13 0 "[ . 1 . 2]" 2
61 1 11 TYR QD 1 16 ILE HB . . 6.000 5.683 5.479 5.989 . 0 0 "[ . 1 . 2]" 2
62 1 9 LYS HE3 1 11 TYR QD . . 5.900 4.796 3.622 6.618 0.718 12 3 "[ * . - 1 + . 2]" 2
63 1 10 TYR HA 1 11 TYR QD . . 5.000 4.243 3.855 4.561 . 0 0 "[ . 1 . 2]" 2
64 1 11 TYR QD 1 83 LEU HA . . 5.600 4.817 4.658 4.986 . 0 0 "[ . 1 . 2]" 2
65 1 11 TYR HB2 1 11 TYR QD . . 3.000 2.554 2.458 2.669 . 0 0 "[ . 1 . 2]" 2
66 1 11 TYR QD 1 26 TRP HD1 . . 5.800 5.826 5.256 6.124 0.324 14 0 "[ . 1 . 2]" 2
67 1 11 TYR QD 1 15 GLU HB3 . . 5.100 3.994 3.224 4.853 . 0 0 "[ . 1 . 2]" 2
68 1 11 TYR QD 1 80 ILE MD . . 5.380 4.327 4.155 4.507 . 0 0 "[ . 1 . 2]" 2
69 1 11 TYR QD 1 33 VAL QG . . 3.700 2.298 1.874 2.521 . 0 0 "[ . 1 . 2]" 2
70 1 11 TYR QD 1 28 ILE MG . . 5.800 5.566 5.357 5.805 0.005 12 0 "[ . 1 . 2]" 2
71 1 26 TRP HD1 1 33 VAL QG . . 4.200 3.790 3.267 4.051 . 0 0 "[ . 1 . 2]" 2
72 1 15 GLU HB3 1 26 TRP HE3 . . 5.660 4.915 4.329 5.455 . 0 0 "[ . 1 . 2]" 2
73 1 16 ILE MD 1 19 HIS HD1 . . 5.800 6.204 5.688 6.562 0.762 16 6 "[ .* *1 -.+* *2]" 2
74 1 19 HIS HD1 1 26 TRP HE3 . . 6.000 6.397 4.259 6.729 0.729 19 12 "[* *. **** ***- *+2]" 2
75 1 21 ASP HB3 1 23 LYS QZ . . 5.170 4.514 1.963 5.325 0.155 16 0 "[ . 1 . 2]" 2
76 1 21 ASP HB3 1 22 SER HG . . 5.200 5.490 4.750 5.809 0.609 10 5 "[ *- * + .* 2]" 2
77 1 22 SER HG 1 40 LEU QD . . 3.630 3.073 2.223 3.506 . 0 0 "[ . 1 . 2]" 2
78 1 26 TRP HD1 1 35 ASP HA . . 2.600 1.699 1.618 1.856 . 0 0 "[ . 1 . 2]" 2
79 1 26 TRP HD1 1 37 THR HB . . 5.600 4.530 3.980 5.483 . 0 0 "[ . 1 . 2]" 2
80 1 26 TRP HD1 1 38 LYS H . . 6.000 5.637 5.166 6.457 0.457 20 0 "[ . 1 . 2]" 2
81 1 26 TRP HD1 1 80 ILE HB . . 5.730 4.577 4.038 5.505 . 0 0 "[ . 1 . 2]" 2
82 1 26 TRP HD1 1 35 ASP QB . . 5.000 3.506 3.267 3.771 . 0 0 "[ . 1 . 2]" 2
83 1 30 HIS HB3 1 30 HIS HD1 . . 3.950 2.875 2.474 3.815 . 0 0 "[ . 1 . 2]" 2
84 1 27 VAL HA 1 34 TYR QD . . 6.000 6.433 5.736 6.697 0.697 14 9 "[ **- * 1 * +.*** 2]" 2
85 1 28 ILE HA 1 34 TYR QD . . 3.510 3.492 2.669 3.909 0.399 4 0 "[ . 1 . 2]" 2
86 1 34 TYR QD 1 78 TYR HB2 . . 4.470 3.309 2.570 3.843 . 0 0 "[ . 1 . 2]" 2
87 1 32 LYS HB3 1 34 TYR QD . . 5.000 4.388 4.055 4.684 . 0 0 "[ . 1 . 2]" 2
88 1 34 TYR QD 1 78 TYR HA . . 5.500 4.668 4.388 5.106 . 0 0 "[ . 1 . 2]" 2
89 1 42 GLU HB3 1 43 PHE HZ . . 4.800 4.944 3.982 5.448 0.648 7 4 "[ . + * - * 2]" 2
90 1 42 GLU HB2 1 43 PHE HZ . . 5.390 4.794 4.081 5.959 0.569 16 3 "[ - . 1 .+ *]" 2
91 1 43 PHE HZ 1 65 VAL HB . . 5.900 5.047 4.405 5.867 . 0 0 "[ . 1 . 2]" 2
92 1 43 PHE HZ 1 67 PHE HB2 . . 6.000 5.560 5.337 5.819 . 0 0 "[ . 1 . 2]" 2
93 1 40 LEU QD 1 43 PHE QD . . 5.400 4.691 4.507 5.020 . 0 0 "[ . 1 . 2]" 2
94 1 43 PHE QD 1 46 GLY HA3 . . 3.840 2.935 2.324 3.555 . 0 0 "[ . 1 . 2]" 2
95 1 43 PHE QD 1 50 LEU MD2 . . 2.500 2.349 2.154 2.602 0.102 17 0 "[ . 1 . 2]" 2
96 1 43 PHE QD 1 65 VAL MG2 . . 4.000 4.210 3.892 4.455 0.455 1 0 "[ . 1 . 2]" 2
97 1 43 PHE QD 1 50 LEU QB . . 4.800 4.974 4.738 5.083 0.283 2 0 "[ . 1 . 2]" 2
98 1 43 PHE QD 1 65 VAL HB . . 5.430 4.678 4.151 5.292 . 0 0 "[ . 1 . 2]" 2
99 1 42 GLU HB2 1 43 PHE QD . . 4.770 4.373 3.727 5.325 0.555 16 3 "[ - . 1 .+ *]" 2
100 1 43 PHE QD 1 49 VAL HB . . 5.800 6.396 6.097 6.512 0.712 7 18 "[** ***+********* -**]" 2
101 1 43 PHE QD 1 66 GLY QA . . 4.720 4.358 3.837 4.639 . 0 0 "[ . 1 . 2]" 2
102 1 43 PHE QD 1 67 PHE QD . . 4.000 4.154 3.821 4.426 0.426 18 0 "[ . 1 . 2]" 2
103 1 43 PHE QD 1 67 PHE HZ . . 3.840 2.985 2.508 3.878 0.038 18 0 "[ . 1 . 2]" 2
104 1 43 PHE QD 1 67 PHE HB2 . . 5.880 6.162 5.475 6.793 0.913 18 4 "[ - .* * 1 . + 2]" 2
105 1 43 PHE QD 1 67 PHE HA . . 5.300 5.504 4.911 5.895 0.595 7 1 "[ . + 1 . 2]" 2
106 1 43 PHE QD 1 66 GLY HA2 . . 4.500 4.482 3.937 4.781 0.281 18 0 "[ . 1 . 2]" 2
107 1 43 PHE QE 1 46 GLY HA3 . . 5.400 5.104 4.654 5.527 0.127 18 0 "[ . 1 . 2]" 2
108 1 43 PHE QE 1 65 VAL MG2 . . 4.000 2.858 2.458 3.179 . 0 0 "[ . 1 . 2]" 2
109 1 43 PHE QE 1 50 LEU MD2 . . 2.600 2.122 1.858 2.383 . 0 0 "[ . 1 . 2]" 2
110 1 43 PHE QE 1 50 LEU QB . . 4.170 4.311 4.075 4.428 0.258 19 0 "[ . 1 . 2]" 2
111 1 36 LEU MD1 1 43 PHE QE . . 4.300 3.820 3.272 4.793 0.493 20 0 "[ . 1 . 2]" 2
112 1 43 PHE QE 1 67 PHE QD . . 3.000 3.204 2.902 3.418 0.418 18 0 "[ . 1 . 2]" 2
113 1 43 PHE QE 1 67 PHE HZ . . 4.000 3.871 3.543 4.378 0.378 19 0 "[ . 1 . 2]" 2
114 1 43 PHE QE 1 67 PHE HB2 . . 4.830 4.345 3.781 4.858 0.028 18 0 "[ . 1 . 2]" 2
115 1 43 PHE QE 1 67 PHE HA . . 4.610 4.072 3.472 4.647 0.037 12 0 "[ . 1 . 2]" 2
116 1 43 PHE QE 1 70 ASP QB . . 5.750 5.032 4.223 5.951 0.201 18 0 "[ . 1 . 2]" 2
117 1 43 PHE QE 1 66 GLY HA2 . . 3.210 2.648 2.355 2.885 . 0 0 "[ . 1 . 2]" 2
118 1 39 PHE HA 1 43 PHE QE . . 5.000 5.117 4.982 5.264 0.264 12 0 "[ . 1 . 2]" 2
119 1 50 LEU HA 1 61 ASN QD . . 4.470 3.228 2.373 4.252 . 0 0 "[ . 1 . 2]" 2
120 1 58 ALA MB 1 61 ASN QD . . 6.000 3.734 3.071 4.135 . 0 0 "[ . 1 . 2]" 2
121 1 57 ASP HB3 1 61 ASN QD . . 5.400 4.785 4.310 4.977 . 0 0 "[ . 1 . 2]" 2
122 1 61 ASN HA 1 61 ASN QD . . 4.300 3.919 3.753 4.086 . 0 0 "[ . 1 . 2]" 2
123 1 58 ALA MB 1 62 PHE QD . . 5.220 3.355 2.301 3.823 . 0 0 "[ . 1 . 2]" 2
124 1 27 VAL QG 1 62 PHE QD . . 4.890 2.309 1.698 4.984 0.094 10 0 "[ . 1 . 2]" 2
125 1 36 LEU MD2 1 62 PHE QD . . 5.000 2.585 1.823 5.559 0.559 10 1 "[ . + . 2]" 2
126 1 39 PHE QD 1 62 PHE QD . . 5.700 4.092 3.373 5.679 . 0 0 "[ . 1 . 2]" 2
127 1 66 GLY QA 1 67 PHE QD . . 4.440 4.204 3.517 4.428 . 0 0 "[ . 1 . 2]" 2
128 1 43 PHE HA 1 67 PHE QD . . 5.400 5.770 5.345 6.050 0.650 7 10 "[* * .*+- 1 *** ** 2]" 2
129 1 67 PHE H 1 67 PHE QD . . 2.800 2.832 2.127 3.090 0.290 16 0 "[ . 1 . 2]" 2
130 1 67 PHE QD 1 71 ALA HA . . 4.600 4.362 3.443 5.109 0.509 4 1 "[ +. 1 . 2]" 2
131 1 67 PHE QD 1 71 ALA MB . . 4.520 3.903 2.688 4.563 0.043 7 0 "[ . 1 . 2]" 2
132 1 67 PHE QD 1 72 ARG H . . 6.000 6.229 5.569 6.634 0.634 6 6 "[ *.+* 1-* * 2]" 2
133 1 67 PHE QD 1 74 LEU MD2 . . 4.500 4.139 2.989 5.111 0.611 9 5 "[ * +1 * . - *2]" 2
134 1 76 LYS HA 1 76 LYS QZ . . 5.800 5.126 3.536 5.849 0.049 17 0 "[ . 1 . 2]" 2
135 1 76 LYS QZ 1 77 LYS HA . . 4.900 3.931 3.046 5.227 0.327 16 0 "[ . 1 . 2]" 2
136 1 76 LYS QZ 1 77 LYS HG3 . . 4.850 4.878 3.752 5.435 0.585 9 7 "[ * . - +1* *. **]" 2
137 1 77 LYS HG3 1 78 TYR QE . . 5.000 5.010 3.984 5.592 0.592 14 2 "[- . 1 +. 2]" 2
138 1 35 ASP QB 1 78 TYR QE . . 4.800 4.147 3.879 4.367 . 0 0 "[ . 1 . 2]" 2
139 1 38 LYS HG3 1 78 TYR QE . . 3.840 3.162 2.573 4.239 0.399 16 0 "[ . 1 . 2]" 2
140 1 38 LYS QB 1 78 TYR QE . . 3.350 1.838 1.611 2.217 . 0 0 "[ . 1 . 2]" 2
141 1 39 PHE HA 1 78 TYR QE . . 4.940 3.411 2.705 3.759 . 0 0 "[ . 1 . 2]" 2
142 1 39 PHE H 1 78 TYR QE . . 4.530 3.533 2.417 4.110 . 0 0 "[ . 1 . 2]" 2
143 1 74 LEU HB3 1 78 TYR QE . . 4.810 2.290 1.911 3.609 . 0 0 "[ . 1 . 2]" 2
144 1 77 LYS HD3 1 78 TYR QE . . 4.220 3.871 3.242 4.682 0.462 7 0 "[ . 1 . 2]" 2
145 1 78 TYR HA 1 78 TYR QE . . 4.750 4.529 4.329 4.766 0.016 5 0 "[ . 1 . 2]" 2
146 1 35 ASP QB 1 78 TYR QD . . 3.020 2.090 1.767 2.403 . 0 0 "[ . 1 . 2]" 2
147 1 35 ASP HA 1 78 TYR QD . . 5.660 4.845 4.379 5.301 . 0 0 "[ . 1 . 2]" 2
148 1 38 LYS QB 1 78 TYR QD . . 3.850 3.173 2.828 3.525 . 0 0 "[ . 1 . 2]" 2
149 1 39 PHE HA 1 78 TYR QD . . 4.680 4.757 4.339 5.121 0.441 20 0 "[ . 1 . 2]" 2
150 1 74 LEU HA 1 78 TYR QD . . 4.870 3.863 3.146 4.837 . 0 0 "[ . 1 . 2]" 2
151 1 74 LEU HB3 1 78 TYR QD . . 5.400 2.530 2.034 4.444 . 0 0 "[ . 1 . 2]" 2
152 1 74 LEU MD2 1 78 TYR QD . . 3.460 3.680 3.119 3.975 0.515 18 1 "[ . 1 . + 2]" 2
153 1 77 LYS HG3 1 78 TYR QD . . 4.950 5.227 4.383 5.558 0.608 10 8 "[* . **+ - *.* *]" 2
154 1 78 TYR HB3 1 78 TYR QD . . 3.110 2.520 2.326 2.685 . 0 0 "[ . 1 . 2]" 2
155 1 34 TYR HB3 1 78 TYR QD . . 5.400 4.632 4.070 5.115 . 0 0 "[ . 1 . 2]" 2
156 1 78 TYR HB2 1 78 TYR QD . . 3.320 2.416 2.337 2.674 . 0 0 "[ . 1 . 2]" 2
157 1 38 LYS HG3 1 78 TYR QD . . 5.170 5.102 4.709 5.812 0.642 16 4 "[ . - 1 *+ *2]" 2
158 1 37 THR MG 1 78 TYR QD . . 5.800 6.152 4.731 6.563 0.763 11 11 "[** *- **1+***. *]" 2
159 1 79 ILE H 1 79 ILE HG13 . . 4.710 4.490 4.429 4.552 . 0 0 "[ . 1 . 2]" 2
160 1 10 TYR HA 1 84 HIS HD2 . . 4.800 5.132 4.762 5.306 0.506 15 3 "[ -. * + 2]" 2
161 1 83 LEU HA 1 84 HIS HD2 . . 5.800 6.412 6.082 6.513 0.713 11 18 "[***** -***+** ******]" 2
162 1 10 TYR QE 1 84 HIS HD2 . . 4.700 4.300 3.370 5.236 0.536 10 1 "[ . + . 2]" 2
163 1 84 HIS HD2 1 85 PRO HD2 . . 4.170 2.738 2.220 3.131 . 0 0 "[ . 1 . 2]" 2
164 1 31 HIS HE1 1 88 ARG HE . . 4.900 4.909 3.403 5.515 0.615 15 5 "[ *. -1* *+ 2]" 2
165 1 30 HIS HD1 1 88 ARG HD3 . . 5.000 4.676 3.976 5.488 0.488 19 0 "[ . 1 . 2]" 2
166 1 14 GLU HG3 1 90 LYS QZ . . 4.660 3.557 2.526 4.342 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 34
_Distance_constraint_stats_list.Viol_count 150
_Distance_constraint_stats_list.Viol_total 578.129
_Distance_constraint_stats_list.Viol_max 0.531
_Distance_constraint_stats_list.Viol_rms 0.1027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0425
_Distance_constraint_stats_list.Viol_average_violations_only 0.1927
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 LYS 0.655 0.229 20 0 "[ . 1 . 2]"
1 11 TYR 0.297 0.114 18 0 "[ . 1 . 2]"
1 13 LEU 0.126 0.126 15 0 "[ . 1 . 2]"
1 17 GLN 0.126 0.126 15 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TRP 3.294 0.292 20 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 6.294 0.517 14 1 "[ . 1 +. 2]"
1 29 LEU 1.293 0.302 13 0 "[ . 1 . 2]"
1 31 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 1.293 0.302 13 0 "[ . 1 . 2]"
1 33 VAL 0.810 0.213 11 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 5.061 0.531 9 2 "[ . +1 . -2]"
1 38 LYS 5.559 0.410 14 0 "[ . 1 . 2]"
1 41 GLU 5.061 0.531 9 2 "[ . +1 . -2]"
1 42 GLU 5.559 0.410 14 0 "[ . 1 . 2]"
1 47 GLU 0.827 0.327 16 0 "[ . 1 . 2]"
1 51 ARG 0.827 0.327 16 0 "[ . 1 . 2]"
1 55 GLY 3.294 0.292 20 0 "[ . 1 . 2]"
1 56 GLY 6.294 0.517 14 1 "[ . 1 +. 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 4.281 0.400 1 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 4.281 0.400 1 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.810 0.213 11 0 "[ . 1 . 2]"
1 82 GLU 0.953 0.229 20 0 "[ . 1 . 2]"
1 83 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.407 0.245 4 0 "[ . 1 . 2]"
1 90 LYS 0.407 0.245 4 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 25 THR O 1 36 LEU H . . 3.000 2.682 2.237 2.961 . 0 0 "[ . 1 . 2]" 3
2 1 25 THR O 1 36 LEU N . . 4.000 3.400 3.091 3.660 . 0 0 "[ . 1 . 2]" 3
3 1 27 VAL O 1 34 TYR H . . 2.500 2.021 1.936 2.110 . 0 0 "[ . 1 . 2]" 3
4 1 27 VAL O 1 34 TYR N . . 3.500 2.974 2.905 3.050 . 0 0 "[ . 1 . 2]" 3
5 1 27 VAL H 1 34 TYR O . . 3.000 2.264 2.067 2.439 . 0 0 "[ . 1 . 2]" 3
6 1 27 VAL N 1 34 TYR O . . 4.000 3.227 3.038 3.368 . 0 0 "[ . 1 . 2]" 3
7 1 29 LEU H 1 32 LYS O . . 2.500 2.489 2.180 2.802 0.302 13 0 "[ . 1 . 2]" 3
8 1 29 LEU N 1 32 LYS O . . 3.500 3.355 3.001 3.623 0.123 13 0 "[ . 1 . 2]" 3
9 1 31 HIS O 1 83 LEU H . . 3.500 2.381 2.150 2.822 . 0 0 "[ . 1 . 2]" 3
10 1 31 HIS O 1 83 LEU N . . 4.500 2.998 2.777 3.356 . 0 0 "[ . 1 . 2]" 3
11 1 33 VAL O 1 81 GLY H . . 3.000 2.939 2.568 3.213 0.213 11 0 "[ . 1 . 2]" 3
12 1 33 VAL O 1 81 GLY N . . 4.000 3.714 3.419 4.003 0.003 11 0 "[ . 1 . 2]" 3
13 1 35 ASP H 1 78 TYR O . . 2.500 1.954 1.898 2.004 . 0 0 "[ . 1 . 2]" 3
14 1 35 ASP N 1 78 TYR O . . 3.500 2.905 2.825 2.958 . 0 0 "[ . 1 . 2]" 3
15 1 9 LYS O 1 82 GLU H . . 2.200 2.184 1.907 2.429 0.229 20 0 "[ . 1 . 2]" 3
16 1 11 TYR O 1 84 HIS H . . 2.200 1.949 1.888 2.029 . 0 0 "[ . 1 . 2]" 3
17 1 11 TYR H 1 82 GLU O . . 2.200 2.159 2.019 2.314 0.114 18 0 "[ . 1 . 2]" 3
18 1 28 ILE H 1 56 GLY O . . 3.800 3.940 2.026 4.317 0.517 14 1 "[ . 1 +. 2]" 3
19 1 26 TRP O 1 55 GLY H . . 2.000 2.165 2.059 2.292 0.292 20 0 "[ . 1 . 2]" 3
20 1 13 LEU O 1 17 GLN N . . 3.500 2.899 2.776 3.183 . 0 0 "[ . 1 . 2]" 3
21 1 13 LEU O 1 17 GLN H . . 2.500 2.200 2.045 2.626 0.126 15 0 "[ . 1 . 2]" 3
22 1 38 LYS O 1 42 GLU H . . 2.500 2.711 2.320 2.910 0.410 14 0 "[ . 1 . 2]" 3
23 1 38 LYS O 1 42 GLU N . . 3.500 3.417 2.913 3.718 0.218 14 0 "[ . 1 . 2]" 3
24 1 37 THR O 1 41 GLU N . . 4.090 4.297 3.485 4.621 0.531 9 2 "[ . +1 . -2]" 3
25 1 47 GLU O 1 51 ARG H . . 2.500 2.286 2.064 2.827 0.327 16 0 "[ . 1 . 2]" 3
26 1 47 GLU O 1 51 ARG N . . 3.500 3.060 2.850 3.523 0.023 5 0 "[ . 1 . 2]" 3
27 1 61 ASN O 1 65 VAL H . . 2.500 2.029 1.965 2.146 . 0 0 "[ . 1 . 2]" 3
28 1 61 ASN O 1 65 VAL N . . 3.500 2.974 2.894 3.105 . 0 0 "[ . 1 . 2]" 3
29 1 70 ASP O 1 74 LEU H . . 2.500 2.002 1.904 2.119 . 0 0 "[ . 1 . 2]" 3
30 1 70 ASP O 1 74 LEU N . . 3.500 2.790 2.718 2.872 . 0 0 "[ . 1 . 2]" 3
31 1 69 THR O 1 73 GLU H . . 2.500 2.630 2.365 2.900 0.400 1 0 "[ . 1 . 2]" 3
32 1 69 THR O 1 73 GLU N . . 3.500 3.532 3.325 3.789 0.289 1 0 "[ . 1 . 2]" 3
33 1 86 ASP O 1 90 LYS H . . 2.500 2.151 1.998 2.745 0.245 4 0 "[ . 1 . 2]" 3
34 1 86 ASP O 1 90 LYS N . . 3.500 2.991 2.816 3.494 . 0 0 "[ . 1 . 2]" 3
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