NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438283 |
2k4j   |
15801 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4j
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 985
_Distance_constraint_stats_list.Viol_count 2531
_Distance_constraint_stats_list.Viol_total 19735.998
_Distance_constraint_stats_list.Viol_max 4.767
_Distance_constraint_stats_list.Viol_rms 0.2506
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0501
_Distance_constraint_stats_list.Viol_average_violations_only 0.3899
_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 13 GLU 0.904 0.415 1 0 "[ . 1 . 2]"
1 14 GLU 1.426 0.415 1 0 "[ . 1 . 2]"
1 15 VAL 1.859 0.291 4 0 "[ . 1 . 2]"
1 16 SER 1.711 0.197 13 0 "[ . 1 . 2]"
1 17 GLU 0.373 0.197 13 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 9.132 0.449 13 0 "[ . 1 . 2]"
1 20 ASP 9.998 0.449 13 0 "[ . 1 . 2]"
1 21 ALA 1.353 0.193 14 0 "[ . 1 . 2]"
1 22 ASN 1.140 0.153 8 0 "[ . 1 . 2]"
1 23 ILE 19.470 2.305 3 9 "[* +*. * 1* * .** -]"
1 24 PHE 4.439 0.346 12 0 "[ . 1 . 2]"
1 25 ARG 4.479 0.232 13 0 "[ . 1 . 2]"
1 26 VAL 7.669 0.313 19 0 "[ . 1 . 2]"
1 27 ASP 2.178 0.216 19 0 "[ . 1 . 2]"
1 28 LYS 21.769 1.319 3 20 [**+***-*************]
1 29 ASP 16.076 0.841 16 12 "[* ** *** -**+* *]"
1 30 SER 36.919 1.319 3 20 [**+*************-***]
1 31 ARG 41.240 1.265 3 16 "[* +******** -**** *]"
1 32 GLU 20.022 1.992 18 17 "[*** **********.*-+ *]"
1 33 VAL 20.367 1.099 6 20 [***-*+**************]
1 34 TYR 57.649 1.992 18 20 [****************-+**]
1 35 MET 99.000 4.767 3 20 [**+****************-]
1 36 HIS 153.462 3.945 11 20 [**********+-********]
1 37 GLU 8.865 1.277 7 9 "[-** . +* 1* ** *]"
1 38 LYS 98.912 4.505 7 20 [******+****-********]
1 39 LYS 37.634 2.284 2 10 "[*+* . *1** -** * 2]"
1 40 LEU 11.600 0.976 20 9 "[ * * * *1 *- ** +]"
1 41 ASP 2.405 0.184 10 0 "[ . 1 . 2]"
1 42 LEU 8.523 1.265 3 7 "[ + .* 1 **-* * 2]"
1 43 THR 14.792 1.394 2 12 "[*+ .* **** **- * *]"
1 44 ARG 5.639 0.636 14 4 "[ -. *1 +. * 2]"
1 45 ALA 1.193 0.417 16 0 "[ . 1 . 2]"
1 46 GLU 20.767 1.499 17 19 [*********-****.*+***]
1 47 TYR 12.556 0.926 15 5 "[ . *- 1 *+* 2]"
1 48 GLU 14.795 0.636 14 4 "[ -. *1 +. * 2]"
1 49 ILE 44.882 1.768 12 14 "[*** **-**1 + *.** **]"
1 50 LEU 17.640 1.704 7 3 "[ . + 1 -* 2]"
1 51 SER 14.960 0.932 19 2 "[ . 1 . - +2]"
1 52 LEU 25.327 0.722 2 3 "[-+ . * 1 . 2]"
1 53 LEU 51.332 3.648 19 20 [*************-****+*]
1 54 ILE 25.153 0.731 10 11 "[* . *+ ***** **-]"
1 55 SER 16.141 1.392 5 11 "[ + *1****** **-]"
1 56 LYS 13.347 0.731 10 3 "[* . + . -2]"
1 57 LYS 2.616 0.558 18 1 "[ . 1 . + 2]"
1 58 GLY 20.067 1.568 17 20 [***********-****+***]
1 59 TYR 14.099 0.510 15 1 "[ . 1 + 2]"
1 60 VAL 24.863 0.860 12 16 "[****** * **+**-* * *]"
1 61 PHE 18.427 1.768 12 12 "[*** ** **1 + *.* *-]"
1 62 SER 1.378 0.227 7 0 "[ . 1 . 2]"
1 63 ARG 7.937 0.620 15 6 "[ * . **1 * + -2]"
1 64 GLU 6.895 0.361 14 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 9.160 0.722 2 3 "[-+ . 1 * . 2]"
1 67 ALA 10.780 1.086 8 7 "[ .-*+** ** . 2]"
1 68 ILE 14.442 0.869 19 13 "[* ***** *1 -** *+*]"
1 69 GLU 56.666 3.648 19 17 "[*********1** *** *+*]"
1 70 SER 15.134 0.534 10 10 "[ *-*. *+ **** * 2]"
1 71 GLU 12.407 0.534 10 10 "[ *-*. *+ **** * 2]"
1 72 SER 0.122 0.058 4 0 "[ . 1 . 2]"
1 73 ILE 1.692 0.215 1 0 "[ . 1 . 2]"
1 74 ASN 1.390 0.215 1 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLU 13.003 1.349 16 8 "[-* * * *.+** 2]"
1 77 SER 5.681 0.361 14 0 "[ . 1 . 2]"
1 78 SER 9.899 1.349 16 8 "[-* * * *.+** 2]"
1 79 ASN 3.432 0.325 16 0 "[ . 1 . 2]"
1 80 LYS 41.172 1.535 19 20 [*****-************+*]
1 81 SER 17.259 1.204 12 11 "[ * * ** **+- .* * *]"
1 82 ILE 33.945 1.535 19 19 "[****** ********-**+*]"
1 83 ASP 3.562 0.184 16 0 "[ . 1 . 2]"
1 84 VAL 12.457 0.410 15 0 "[ . 1 . 2]"
1 85 ILE 58.150 1.499 17 19 "[*** ********-***+***]"
1 86 ILE 30.713 1.704 7 3 "[ . + 1 *- 2]"
1 87 GLY 1.059 0.236 15 0 "[ . 1 . 2]"
1 88 ARG 13.864 0.999 18 4 "[ * . 1 * -. + 2]"
1 89 LEU 23.077 0.985 4 12 "[* *+* * *1 ***** -]"
1 90 ARG 5.009 0.290 16 0 "[ . 1 . 2]"
1 91 SER 4.412 0.260 16 0 "[ . 1 . 2]"
1 92 LYS 14.503 1.866 9 7 "[ ** . +1-* ** 2]"
1 93 ILE 15.785 0.976 20 5 "[ - * . * *+]"
1 94 GLU 4.385 0.643 10 1 "[ . + . 2]"
1 95 LYS 1.875 0.184 15 0 "[ . 1 . 2]"
1 96 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 PRO 17.305 2.284 2 11 "[*+ - *1** *. ****]"
1 98 LYS 2.346 0.175 4 0 "[ . 1 . 2]"
1 99 GLN 56.691 4.505 7 20 [******+******-******]
1 100 PRO 22.732 1.215 16 20 [********-******+****]
1 101 GLN 204.006 4.767 3 20 [**+****************-]
1 102 TYR 25.304 1.215 16 20 [********-******+****]
1 103 ILE 28.227 2.057 18 14 "[ ** *** *- * ***+**]"
1 104 ILE 5.004 0.542 18 1 "[ . 1 . + 2]"
1 105 SER 2.667 0.542 18 1 "[ . 1 . + 2]"
1 106 VAL 0.277 0.052 1 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 4.369 0.457 3 0 "[ . 1 . 2]"
1 110 GLY 6.998 0.620 15 6 "[ * . **1 * + -2]"
1 111 TYR 6.958 1.151 16 5 "[* . * - *+ 2]"
1 112 LYS 0.033 0.033 16 0 "[ . 1 . 2]"
1 113 LEU 18.035 0.863 1 16 "[+***** * -****** * *]"
1 114 GLU 12.801 0.426 7 0 "[ . 1 . 2]"
1 115 TYR 2.103 0.150 7 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 31 ARG HA 1 47 TYR HD2 . . 5.500 5.676 4.758 6.426 0.926 15 5 "[ . *- 1 *+* 2]" 1
2 1 39 LYS QD 1 97 PRO QB . . 7.290 7.519 5.654 9.574 2.284 2 7 "[*+ . *1** -. * 2]" 1
3 1 29 ASP H 1 29 ASP HB3 . . 3.300 2.871 2.376 3.621 0.321 13 0 "[ . 1 . 2]" 1
4 1 28 LYS HA 1 32 GLU H . . 4.480 4.197 3.848 4.410 . 0 0 "[ . 1 . 2]" 1
5 1 36 HIS H 1 101 GLN QG . . 6.390 9.769 9.108 10.335 3.945 11 20 [**********+-********] 1
6 1 27 ASP QB 1 30 SER QB . . 5.190 3.315 2.674 3.799 . 0 0 "[ . 1 . 2]" 1
7 1 29 ASP H 1 29 ASP QB . . 2.860 2.278 2.157 2.381 . 0 0 "[ . 1 . 2]" 1
8 1 32 GLU QB 1 34 TYR QB . . 4.760 5.646 5.155 6.752 1.992 18 17 "[*** **********.*-+ *]" 1
9 1 33 VAL H 1 34 TYR QB . . 4.760 5.660 5.342 5.859 1.099 6 20 [***-*+**************] 1
10 1 63 ARG H 1 110 GLY QA . . 3.540 3.843 3.183 4.160 0.620 15 6 "[ * . **1 * + -2]" 1
11 1 25 ARG QD 1 34 TYR QD . . 6.390 3.980 2.443 5.994 . 0 0 "[ . 1 . 2]" 1
12 1 34 TYR QD 1 39 LYS HB3 . . 5.500 3.955 2.534 5.477 . 0 0 "[ . 1 . 2]" 1
13 1 34 TYR QD 1 36 HIS HA . . 5.500 6.498 5.609 7.380 1.880 20 17 "[*******-*1****.** *+]" 1
14 1 24 PHE QD 1 26 VAL HB . . 5.500 4.309 3.443 5.494 . 0 0 "[ . 1 . 2]" 1
15 1 39 LYS QD 1 92 LYS QG . . 7.280 7.221 4.717 9.146 1.866 9 7 "[ ** . +1-* ** 2]" 1
16 1 63 ARG QB 1 109 ILE HA . . 6.390 4.896 3.191 6.702 0.312 10 0 "[ . 1 . 2]" 1
17 1 21 ALA MB 1 51 SER HA . . 6.530 5.442 4.742 6.323 . 0 0 "[ . 1 . 2]" 1
18 1 21 ALA MB 1 26 VAL HB . . 6.530 5.280 3.691 6.456 . 0 0 "[ . 1 . 2]" 1
19 1 30 SER H 1 31 ARG HA . . 4.170 4.602 4.376 4.724 0.554 6 6 "[ * *+ * 1 * - 2]" 1
20 1 19 GLY H 1 20 ASP H . . 4.110 4.481 4.361 4.559 0.449 13 0 "[ . 1 . 2]" 1
21 1 60 VAL HA 1 111 TYR H . . 4.420 4.073 3.719 4.549 0.129 17 0 "[ . 1 . 2]" 1
22 1 24 PHE HB3 1 34 TYR H . . 5.500 5.509 4.709 5.796 0.296 16 0 "[ . 1 . 2]" 1
23 1 19 GLY H 1 26 VAL HB . . 5.500 4.595 2.686 5.275 . 0 0 "[ . 1 . 2]" 1
24 1 23 ILE QG 1 35 MET ME . . 6.300 6.295 4.458 8.605 2.305 3 9 "[* +*. * 1* * .** -]" 1
25 1 24 PHE QD 1 26 VAL QG . . 6.430 4.027 2.403 4.950 . 0 0 "[ . 1 . 2]" 1
26 1 38 LYS QG 1 103 ILE QG . . 6.170 6.569 4.428 8.227 2.057 18 13 "[ *- ** ** * ***+**]" 1
27 1 49 ILE QG 1 51 SER H . . 4.880 4.953 4.409 5.812 0.932 19 2 "[ . 1 . - +2]" 1
28 1 52 LEU H 1 69 GLU QB . . 4.970 5.270 4.961 5.465 0.495 20 0 "[ . 1 . 2]" 1
29 1 60 VAL QG 1 109 ILE QG . . 6.200 5.726 4.323 6.657 0.457 3 0 "[ . 1 . 2]" 1
30 1 68 ILE H 1 69 GLU QB . . 3.880 4.442 4.104 4.749 0.869 19 13 "[* ***** *1 -** *+*]" 1
31 1 86 ILE QG 1 111 TYR QB . . 4.760 4.392 3.484 5.911 1.151 16 1 "[ . 1 .+ 2]" 1
32 1 104 ILE QG 1 112 LYS QB . . 4.760 4.062 3.549 4.739 . 0 0 "[ . 1 . 2]" 1
33 1 111 TYR QB 1 113 LEU H . . 5.200 5.371 4.690 6.063 0.863 1 4 "[+ . * - * 2]" 1
34 1 111 TYR QD 1 113 LEU QD . . 6.430 5.172 2.727 6.206 . 0 0 "[ . 1 . 2]" 1
35 1 40 LEU HA 1 89 LEU HA . . 5.500 5.824 4.901 6.404 0.904 9 8 "[ * * * +1 *- ** 2]" 1
36 1 34 TYR QD 1 39 LYS HB2 . . 5.500 3.861 2.909 5.232 . 0 0 "[ . 1 . 2]" 1
37 1 46 GLU QG 1 89 LEU HG . . 6.390 6.072 3.646 7.375 0.985 4 2 "[- +. 1 . 2]" 1
38 1 24 PHE QD 1 35 MET QG . . 6.390 4.926 3.868 5.632 . 0 0 "[ . 1 . 2]" 1
39 1 24 PHE QD 1 35 MET HA . . 5.500 4.845 4.041 5.289 . 0 0 "[ . 1 . 2]" 1
40 1 24 PHE QD 1 51 SER QB . . 6.390 3.594 2.555 4.358 . 0 0 "[ . 1 . 2]" 1
41 1 31 ARG QG 1 42 LEU QB . . 7.280 6.783 5.802 8.545 1.265 3 4 "[ + .* 1 - * 2]" 1
42 1 73 ILE H 1 81 SER QB . . 6.390 4.947 3.863 5.877 . 0 0 "[ . 1 . 2]" 1
43 1 86 ILE MG 1 103 ILE MD . . 7.560 6.114 3.474 8.286 0.726 7 1 "[ . + 1 . 2]" 1
44 1 103 ILE MG 1 111 TYR HB3 . . 6.530 3.992 2.232 5.705 . 0 0 "[ . 1 . 2]" 1
45 1 61 PHE QD 1 66 ILE MG . . 6.530 5.192 4.761 5.484 . 0 0 "[ . 1 . 2]" 1
46 1 29 ASP H 1 30 SER H . . 2.930 2.606 2.263 2.798 . 0 0 "[ . 1 . 2]" 1
47 1 38 LYS H 1 39 LYS H . . 4.140 4.374 4.275 4.425 0.285 13 0 "[ . 1 . 2]" 1
48 1 24 PHE HA 1 34 TYR H . . 4.940 4.701 4.648 4.768 . 0 0 "[ . 1 . 2]" 1
49 1 61 PHE H 1 113 LEU H . . 4.480 4.218 3.805 4.429 . 0 0 "[ . 1 . 2]" 1
50 1 35 MET HA 1 37 GLU H . . 4.690 4.130 3.792 4.404 . 0 0 "[ . 1 . 2]" 1
51 1 54 ILE HG12 1 55 SER H . . 4.720 4.867 4.291 5.294 0.574 13 8 "[ . *1 +*** **-]" 1
52 1 60 VAL HB 1 113 LEU H . . 5.500 5.991 4.281 6.360 0.860 12 15 "[****** * -*+**.* * *]" 1
53 1 67 ALA MB 1 81 SER H . . 6.530 6.348 4.830 7.111 0.581 8 1 "[ . + 1 . 2]" 1
54 1 24 PHE QD 1 33 VAL QG . . 6.430 2.804 2.066 3.548 . 0 0 "[ . 1 . 2]" 1
55 1 26 VAL QG 1 51 SER HA . . 6.430 6.056 4.764 6.743 0.313 19 0 "[ . 1 . 2]" 1
56 1 31 ARG QG 1 47 TYR QB . . 6.170 4.694 3.834 6.903 0.733 15 1 "[ . 1 + 2]" 1
57 1 35 MET QB 1 103 ILE MD . . 6.300 6.046 4.779 7.333 1.033 5 5 "[ +* 1- . **]" 1
58 1 35 MET QG 1 101 GLN QB . . 6.170 9.583 8.177 10.937 4.767 3 20 [**+**************-**] 1
59 1 49 ILE QG 1 61 PHE QB . . 6.170 6.905 5.352 7.938 1.768 12 12 "[*** ** **1 + *.* *-]" 1
60 1 53 LEU QD 1 111 TYR QB . . 5.730 4.698 3.969 5.906 0.176 12 0 "[ . 1 . 2]" 1
61 1 61 PHE QD 1 113 LEU QD . . 6.430 3.482 2.164 4.628 . 0 0 "[ . 1 . 2]" 1
62 1 66 ILE MG 1 86 ILE QG . . 6.300 5.859 4.912 6.590 0.290 15 0 "[ . 1 . 2]" 1
63 1 82 ILE QG 1 86 ILE QG . . 4.760 3.504 2.179 5.156 0.396 2 0 "[ . 1 . 2]" 1
64 1 89 LEU QD 1 111 TYR QB . . 5.730 4.784 4.056 5.509 . 0 0 "[ . 1 . 2]" 1
65 1 40 LEU HB2 1 41 ASP H . . 5.500 3.584 2.401 4.540 . 0 0 "[ . 1 . 2]" 1
66 1 40 LEU HB3 1 41 ASP H . . 5.500 3.049 2.404 3.908 . 0 0 "[ . 1 . 2]" 1
67 1 49 ILE HA 1 69 GLU H . . 5.500 5.641 5.271 6.237 0.737 19 1 "[ . 1 . +2]" 1
68 1 83 ASP H 1 84 VAL HA . . 5.500 5.546 5.393 5.645 0.145 6 0 "[ . 1 . 2]" 1
69 1 84 VAL H 1 85 ILE HA . . 5.500 5.348 5.162 5.449 . 0 0 "[ . 1 . 2]" 1
70 1 106 VAL HB 1 110 GLY H . . 5.500 2.994 2.786 3.249 . 0 0 "[ . 1 . 2]" 1
71 1 86 ILE HA 1 89 LEU HA . . 5.500 5.565 4.818 6.153 0.653 16 1 "[ . 1 .+ 2]" 1
72 1 28 LYS QB 1 29 ASP HA . . 6.390 4.208 3.931 4.564 . 0 0 "[ . 1 . 2]" 1
73 1 45 ALA HA 1 48 GLU HA . . 5.500 5.294 5.002 5.917 0.417 16 0 "[ . 1 . 2]" 1
74 1 52 LEU HA 1 55 SER HA . . 5.500 5.176 4.691 5.810 0.310 19 0 "[ . 1 . 2]" 1
75 1 51 SER HA 1 55 SER QB . . 6.390 4.667 4.230 5.640 . 0 0 "[ . 1 . 2]" 1
76 1 24 PHE HA 1 36 HIS HA . . 5.500 5.036 4.670 5.269 . 0 0 "[ . 1 . 2]" 1
77 1 79 ASN H 1 80 LYS HA . . 5.500 5.575 4.929 5.825 0.325 16 0 "[ . 1 . 2]" 1
78 1 81 SER QB 1 85 ILE HA . . 6.390 6.948 6.287 7.594 1.204 12 11 "[ * * ** **+- .* * *]" 1
79 1 92 LYS QG 1 95 LYS QE . . 7.280 5.305 4.346 6.545 . 0 0 "[ . 1 . 2]" 1
80 1 31 ARG QG 1 44 ARG QG . . 7.280 4.051 2.641 5.681 . 0 0 "[ . 1 . 2]" 1
81 1 105 SER QB 1 106 VAL HB . . 6.390 5.606 5.404 5.934 . 0 0 "[ . 1 . 2]" 1
82 1 79 ASN QB 1 80 LYS QG . . 7.280 4.657 3.163 6.291 . 0 0 "[ . 1 . 2]" 1
83 1 44 ARG HA 1 48 GLU QG . . 6.390 6.177 3.851 7.026 0.636 14 4 "[ -. *1 +. * 2]" 1
84 1 78 SER QB 1 80 LYS QG . . 7.280 6.729 4.252 7.678 0.398 4 0 "[ . 1 . 2]" 1
85 1 44 ARG QG 1 47 TYR HD2 . . 6.390 2.825 2.329 3.511 . 0 0 "[ . 1 . 2]" 1
86 1 55 SER QB 1 69 GLU QG . . 7.280 6.592 5.828 8.672 1.392 5 2 "[ + 1- . 2]" 1
87 1 35 MET QG 1 36 HIS HA . . 6.390 5.099 4.288 6.363 . 0 0 "[ . 1 . 2]" 1
88 1 102 TYR QB 1 114 GLU QG . . 7.270 4.164 2.326 6.496 . 0 0 "[ . 1 . 2]" 1
89 1 40 LEU HA 1 92 LYS QG . . 6.390 5.074 4.138 6.468 0.078 9 0 "[ . 1 . 2]" 1
90 1 28 LYS QB 1 31 ARG QG . . 7.280 5.584 4.576 6.779 . 0 0 "[ . 1 . 2]" 1
91 1 24 PHE HB2 1 54 ILE HB . . 5.500 4.686 3.923 5.758 0.258 20 0 "[ . 1 . 2]" 1
92 1 24 PHE HB3 1 54 ILE HB . . 5.500 3.527 2.727 4.460 . 0 0 "[ . 1 . 2]" 1
93 1 35 MET QG 1 101 GLN QG . . 7.270 7.736 6.395 9.106 1.836 3 9 "[ + * * 1** *. * *-]" 1
94 1 53 LEU HG 1 56 LYS QE . . 6.390 3.991 2.733 4.970 . 0 0 "[ . 1 . 2]" 1
95 1 53 LEU HG 1 56 LYS QB . . 6.390 6.115 4.523 6.640 0.250 6 0 "[ . 1 . 2]" 1
96 1 56 LYS QG 1 69 GLU QG . . 7.280 5.764 4.659 7.797 0.517 19 1 "[ . 1 . +2]" 1
97 1 47 TYR HD1 1 51 SER HA . . 5.500 4.709 4.315 5.107 . 0 0 "[ . 1 . 2]" 1
98 1 71 GLU QG 1 72 SER HA . . 6.390 4.744 4.179 5.053 . 0 0 "[ . 1 . 2]" 1
99 1 42 LEU HA 1 88 ARG QD . . 6.390 5.880 3.641 7.389 0.999 18 4 "[ * . 1 * -. + 2]" 1
100 1 22 ASN QB 1 55 SER QB . . 7.280 5.802 4.729 6.530 . 0 0 "[ . 1 . 2]" 1
101 1 32 GLU QG 1 39 LYS QE . . 7.280 5.988 3.659 7.853 0.573 12 1 "[ . 1 + . 2]" 1
102 1 35 MET QG 1 37 GLU H . . 6.390 3.131 1.843 4.949 . 0 0 "[ . 1 . 2]" 1
103 1 37 GLU QG 1 101 GLN QG . . 7.280 4.636 2.786 5.470 . 0 0 "[ . 1 . 2]" 1
104 1 60 VAL MG2 1 62 SER H . . 6.530 6.029 3.706 6.594 0.064 12 0 "[ . 1 . 2]" 1
105 1 85 ILE MD 1 86 ILE HB . . 6.530 6.387 6.110 6.749 0.219 12 0 "[ . 1 . 2]" 1
106 1 86 ILE MG 1 89 LEU HB2 . . 6.530 5.208 4.126 6.068 . 0 0 "[ . 1 . 2]" 1
107 1 86 ILE MG 1 111 TYR QD . . 6.530 4.318 2.843 5.835 . 0 0 "[ . 1 . 2]" 1
108 1 93 ILE MG 1 94 GLU HB3 . . 6.530 6.264 5.856 7.173 0.643 10 1 "[ . + . 2]" 1
109 1 49 ILE MG 1 85 ILE HB . . 6.530 6.716 6.021 7.557 1.027 16 3 "[ . - 1 .+ *2]" 1
110 1 82 ILE HG12 1 85 ILE MG . . 6.530 5.359 4.152 7.058 0.528 18 1 "[ . 1 . + 2]" 1
111 1 93 ILE MG 1 94 GLU HB2 . . 6.530 5.970 5.289 6.245 . 0 0 "[ . 1 . 2]" 1
112 1 86 ILE HB 1 89 LEU MD1 . . 6.530 5.965 5.152 6.667 0.137 16 0 "[ . 1 . 2]" 1
113 1 93 ILE MG 1 97 PRO QB . . 7.420 7.652 7.056 8.103 0.683 20 4 "[ - 1 . * *+]" 1
114 1 82 ILE HG13 1 85 ILE MG . . 6.530 4.921 3.664 6.874 0.344 18 0 "[ . 1 . 2]" 1
115 1 86 ILE MG 1 89 LEU HB3 . . 6.530 4.291 3.136 5.416 . 0 0 "[ . 1 . 2]" 1
116 1 86 ILE MG 1 89 LEU HA . . 6.530 6.577 5.755 7.108 0.578 16 1 "[ . 1 .+ 2]" 1
117 1 86 ILE MG 1 90 ARG HA . . 6.530 5.291 4.954 5.527 . 0 0 "[ . 1 . 2]" 1
118 1 50 LEU MD2 1 89 LEU HG . . 6.530 5.640 3.851 6.588 0.058 16 0 "[ . 1 . 2]" 1
119 1 82 ILE MG 1 86 ILE MD . . 7.560 3.807 2.017 5.376 . 0 0 "[ . 1 . 2]" 1
120 1 21 ALA MB 1 54 ILE MG . . 7.560 5.221 4.662 5.985 . 0 0 "[ . 1 . 2]" 1
121 1 45 ALA MB 1 85 ILE HG12 . . 6.530 5.886 4.553 6.516 . 0 0 "[ . 1 . 2]" 1
122 1 45 ALA MB 1 85 ILE MG . . 7.560 5.954 5.520 6.412 . 0 0 "[ . 1 . 2]" 1
123 1 63 ARG QG 1 82 ILE MG . . 7.420 3.840 2.414 5.395 . 0 0 "[ . 1 . 2]" 1
124 1 63 ARG QD 1 82 ILE MG . . 7.420 3.979 2.763 5.560 . 0 0 "[ . 1 . 2]" 1
125 1 112 LYS HA 1 113 LEU MD2 . . 6.530 5.778 3.053 6.125 . 0 0 "[ . 1 . 2]" 1
126 1 59 TYR HD2 1 60 VAL MG1 . . 6.530 5.096 3.715 5.618 . 0 0 "[ . 1 . 2]" 1
127 1 23 ILE HB 1 54 ILE MG . . 6.530 2.188 2.014 2.583 . 0 0 "[ . 1 . 2]" 1
128 1 66 ILE MD 1 82 ILE HG12 . . 6.530 4.755 3.294 6.293 . 0 0 "[ . 1 . 2]" 1
129 1 66 ILE MD 1 82 ILE MD . . 7.560 3.771 2.344 5.810 . 0 0 "[ . 1 . 2]" 1
130 1 50 LEU MD1 1 54 ILE MD . . 7.560 4.116 3.120 5.694 . 0 0 "[ . 1 . 2]" 1
131 1 66 ILE MD 1 82 ILE HB . . 6.530 5.415 4.218 6.763 0.233 15 0 "[ . 1 . 2]" 1
132 1 66 ILE MD 1 82 ILE HG13 . . 6.530 4.395 2.773 6.958 0.428 17 0 "[ . 1 . 2]" 1
133 1 67 ALA MB 1 80 LYS QB . . 7.420 7.814 6.572 8.506 1.086 8 7 "[ .-*+** ** . 2]" 1
134 1 112 LYS HA 1 113 LEU MD1 . . 6.530 5.646 3.614 6.069 . 0 0 "[ . 1 . 2]" 1
135 1 21 ALA MB 1 55 SER QB . . 7.420 4.668 3.976 5.881 . 0 0 "[ . 1 . 2]" 1
136 1 43 THR MG 1 46 GLU QG . . 7.420 4.959 3.731 5.996 . 0 0 "[ . 1 . 2]" 1
137 1 43 THR MG 1 46 GLU HB2 . . 6.530 4.466 2.629 5.470 . 0 0 "[ . 1 . 2]" 1
138 1 43 THR MG 1 46 GLU HB3 . . 6.530 5.805 2.978 6.865 0.335 11 0 "[ . 1 . 2]" 1
139 1 31 ARG QG 1 43 THR MG . . 7.420 4.875 3.148 7.285 . 0 0 "[ . 1 . 2]" 1
140 1 45 ALA MB 1 85 ILE HG13 . . 6.530 5.518 4.778 6.115 . 0 0 "[ . 1 . 2]" 1
141 1 45 ALA MB 1 46 GLU HB3 . . 6.530 5.246 4.503 5.450 . 0 0 "[ . 1 . 2]" 1
142 1 45 ALA MB 1 46 GLU HB2 . . 6.530 4.384 3.978 4.675 . 0 0 "[ . 1 . 2]" 1
143 1 59 TYR HD2 1 60 VAL MG2 . . 6.530 5.098 4.720 5.491 . 0 0 "[ . 1 . 2]" 1
144 1 24 PHE H 1 54 ILE MD . . 6.530 5.498 4.563 6.876 0.346 12 0 "[ . 1 . 2]" 1
145 1 50 LEU MD2 1 54 ILE MD . . 7.560 2.857 2.006 5.667 . 0 0 "[ . 1 . 2]" 1
146 1 23 ILE MG 1 24 PHE HA . . 6.530 4.193 3.950 4.539 . 0 0 "[ . 1 . 2]" 1
147 1 66 ILE MD 1 82 ILE HA . . 6.530 4.366 3.368 5.577 . 0 0 "[ . 1 . 2]" 1
148 1 21 ALA MB 1 24 PHE QD . . 6.530 3.235 2.629 3.874 . 0 0 "[ . 1 . 2]" 1
149 1 50 LEU MD1 1 89 LEU HG . . 6.530 4.254 3.795 6.217 . 0 0 "[ . 1 . 2]" 1
150 1 63 ARG QD 1 82 ILE MD . . 7.420 4.000 2.321 5.656 . 0 0 "[ . 1 . 2]" 1
151 1 80 LYS QG 1 82 ILE MD . . 7.420 7.739 6.279 8.955 1.535 19 10 "[* * ** 1** *.- +*]" 1
152 1 66 ILE HB 1 82 ILE MD . . 6.530 3.828 2.173 5.757 . 0 0 "[ . 1 . 2]" 1
153 1 42 LEU HA 1 43 THR MG . . 6.530 5.047 3.541 5.937 . 0 0 "[ . 1 . 2]" 1
154 1 23 ILE MG 1 36 HIS HA . . 6.530 4.634 4.322 5.070 . 0 0 "[ . 1 . 2]" 1
155 1 20 ASP HA 1 21 ALA H . . 2.990 2.323 2.212 2.367 . 0 0 "[ . 1 . 2]" 1
156 1 22 ASN H 1 23 ILE H . . 4.200 4.204 3.887 4.353 0.153 8 0 "[ . 1 . 2]" 1
157 1 29 ASP H 1 29 ASP HB2 . . 3.300 2.499 2.312 2.745 . 0 0 "[ . 1 . 2]" 1
158 1 101 GLN HB2 1 102 TYR H . . 4.380 3.861 3.588 4.115 . 0 0 "[ . 1 . 2]" 1
159 1 101 GLN HB3 1 102 TYR H . . 4.380 4.138 4.082 4.275 . 0 0 "[ . 1 . 2]" 1
160 1 85 ILE HB 1 86 ILE H . . 3.520 2.495 2.336 2.755 . 0 0 "[ . 1 . 2]" 1
161 1 85 ILE HA 1 89 LEU H . . 4.480 3.721 3.286 3.974 . 0 0 "[ . 1 . 2]" 1
162 1 50 LEU H 1 52 LEU H . . 4.140 4.351 4.229 4.462 0.322 12 0 "[ . 1 . 2]" 1
163 1 26 VAL HB 1 27 ASP H . . 4.380 4.145 4.053 4.276 . 0 0 "[ . 1 . 2]" 1
164 1 26 VAL H 1 27 ASP H . . 4.450 4.429 4.323 4.494 0.044 12 0 "[ . 1 . 2]" 1
165 1 27 ASP HA 1 29 ASP H . . 4.070 3.749 3.527 3.930 . 0 0 "[ . 1 . 2]" 1
166 1 114 GLU H 1 115 TYR H . . 4.320 4.425 4.368 4.470 0.150 7 0 "[ . 1 . 2]" 1
167 1 70 SER HB3 1 71 GLU H . . 4.450 3.448 2.602 4.129 . 0 0 "[ . 1 . 2]" 1
168 1 105 SER H 1 106 VAL H . . 4.540 4.539 4.384 4.592 0.052 1 0 "[ . 1 . 2]" 1
169 1 83 ASP HB2 1 84 VAL H . . 4.070 3.487 2.610 3.954 . 0 0 "[ . 1 . 2]" 1
170 1 83 ASP HB3 1 84 VAL H . . 4.070 2.918 2.472 3.784 . 0 0 "[ . 1 . 2]" 1
171 1 110 GLY H 1 111 TYR H . . 4.420 4.429 4.254 4.506 0.086 13 0 "[ . 1 . 2]" 1
172 1 110 GLY QA 1 111 TYR H . . 2.990 2.223 2.149 2.284 . 0 0 "[ . 1 . 2]" 1
173 1 38 LYS H 1 39 LYS HA . . 4.660 4.890 4.593 5.053 0.393 12 0 "[ . 1 . 2]" 1
174 1 79 ASN QB 1 80 LYS H . . 5.830 3.112 2.542 3.930 . 0 0 "[ . 1 . 2]" 1
175 1 83 ASP HA 1 87 GLY H . . 4.630 3.575 3.037 3.954 . 0 0 "[ . 1 . 2]" 1
176 1 13 GLU H 1 14 GLU QB . . 6.080 5.084 3.600 6.495 0.415 1 0 "[ . 1 . 2]" 1
177 1 24 PHE H 1 25 ARG H . . 4.450 4.450 4.350 4.501 0.051 18 0 "[ . 1 . 2]" 1
178 1 25 ARG H 1 26 VAL H . . 4.230 4.383 4.324 4.462 0.232 13 0 "[ . 1 . 2]" 1
179 1 32 GLU H 1 33 VAL H . . 4.510 4.529 4.427 4.619 0.109 14 0 "[ . 1 . 2]" 1
180 1 31 ARG H 1 32 GLU H . . 3.270 2.842 2.571 3.065 . 0 0 "[ . 1 . 2]" 1
181 1 52 LEU H 1 54 ILE H . . 4.320 4.562 4.400 4.758 0.438 4 0 "[ . 1 . 2]" 1
182 1 26 VAL H 1 26 VAL HA . . 2.830 3.008 2.985 3.026 0.196 9 0 "[ . 1 . 2]" 1
183 1 15 VAL HB 1 16 SER H . . 4.910 3.197 1.842 4.378 . 0 0 "[ . 1 . 2]" 1
184 1 105 SER QB 1 107 ARG H . . 6.050 4.178 3.459 5.016 . 0 0 "[ . 1 . 2]" 1
185 1 45 ALA HA 1 47 TYR H . . 4.820 4.547 4.347 4.813 . 0 0 "[ . 1 . 2]" 1
186 1 80 LYS QB 1 81 SER H . . 4.840 3.043 2.825 3.499 . 0 0 "[ . 1 . 2]" 1
187 1 84 VAL HA 1 86 ILE H . . 4.850 5.020 4.771 5.260 0.410 15 0 "[ . 1 . 2]" 1
188 1 106 VAL H 1 112 LYS H . . 4.480 3.958 3.439 4.233 . 0 0 "[ . 1 . 2]" 1
189 1 40 LEU H 1 41 ASP H . . 4.290 4.368 3.938 4.474 0.184 10 0 "[ . 1 . 2]" 1
190 1 61 PHE H 1 111 TYR H . . 3.830 2.911 2.703 3.330 . 0 0 "[ . 1 . 2]" 1
191 1 54 ILE H 1 56 LYS QB . . 5.860 6.202 5.812 6.591 0.731 10 2 "[- . + . 2]" 1
192 1 95 LYS QB 1 96 ASN H . . 4.380 2.684 2.450 3.629 . 0 0 "[ . 1 . 2]" 1
193 1 91 SER HA 1 95 LYS H . . 4.630 3.922 3.761 4.125 . 0 0 "[ . 1 . 2]" 1
194 1 111 TYR H 1 112 LYS HA . . 5.340 4.825 4.565 5.112 . 0 0 "[ . 1 . 2]" 1
195 1 36 HIS H 1 38 LYS QB . . 6.390 7.091 5.799 7.480 1.090 7 17 "[** ** +****-***** **]" 1
196 1 59 TYR HA 1 113 LEU H . . 4.660 4.467 4.306 4.655 . 0 0 "[ . 1 . 2]" 1
197 1 36 HIS H 1 38 LYS H . . 4.540 4.388 4.293 4.465 . 0 0 "[ . 1 . 2]" 1
198 1 24 PHE HA 1 36 HIS H . . 4.570 3.477 3.223 3.760 . 0 0 "[ . 1 . 2]" 1
199 1 76 GLU H 1 78 SER QB . . 5.430 5.773 4.939 6.779 1.349 16 8 "[-* * * *.+** 2]" 1
200 1 73 ILE H 1 74 ASN H . . 4.380 4.432 4.186 4.595 0.215 1 0 "[ . 1 . 2]" 1
201 1 23 ILE HG13 1 24 PHE H . . 5.500 4.817 4.436 5.723 0.223 8 0 "[ . 1 . 2]" 1
202 1 113 LEU HG 1 114 GLU H . . 5.410 3.421 2.386 4.372 . 0 0 "[ . 1 . 2]" 1
203 1 112 LYS QG 1 114 GLU H . . 6.390 5.400 4.687 6.142 . 0 0 "[ . 1 . 2]" 1
204 1 28 LYS QG 1 32 GLU H . . 6.390 5.906 5.079 6.848 0.458 4 0 "[ . 1 . 2]" 1
205 1 109 ILE HG13 1 110 GLY H . . 5.500 4.472 4.138 5.023 . 0 0 "[ . 1 . 2]" 1
206 1 109 ILE HG12 1 110 GLY H . . 5.500 4.913 4.103 5.174 . 0 0 "[ . 1 . 2]" 1
207 1 54 ILE HG13 1 55 SER H . . 4.720 4.799 4.395 5.296 0.576 12 1 "[ . 1 + . 2]" 1
208 1 30 SER H 1 31 ARG QG . . 6.390 5.842 4.278 6.582 0.192 12 0 "[ . 1 . 2]" 1
209 1 23 ILE HG12 1 24 PHE H . . 5.500 5.320 4.458 5.725 0.225 11 0 "[ . 1 . 2]" 1
210 1 28 LYS QG 1 29 ASP H . . 6.390 4.223 2.811 4.690 . 0 0 "[ . 1 . 2]" 1
211 1 38 LYS H 1 38 LYS QE . . 6.390 4.898 3.906 5.635 . 0 0 "[ . 1 . 2]" 1
212 1 63 ARG QG 1 67 ALA H . . 6.390 5.585 4.967 6.221 . 0 0 "[ . 1 . 2]" 1
213 1 64 GLU QG 1 68 ILE H . . 6.390 5.113 4.450 6.488 0.098 5 0 "[ . 1 . 2]" 1
214 1 80 LYS QG 1 81 SER H . . 6.390 4.536 4.042 4.971 . 0 0 "[ . 1 . 2]" 1
215 1 82 ILE HG12 1 83 ASP H . . 5.500 4.709 3.163 5.505 0.005 10 0 "[ . 1 . 2]" 1
216 1 82 ILE HG13 1 83 ASP H . . 5.500 4.581 2.026 5.509 0.009 7 0 "[ . 1 . 2]" 1
217 1 35 MET H 1 39 LYS QG . . 6.390 5.430 4.783 6.015 . 0 0 "[ . 1 . 2]" 1
218 1 95 LYS QG 1 96 ASN H . . 6.390 3.824 2.471 4.530 . 0 0 "[ . 1 . 2]" 1
219 1 35 MET QG 1 36 HIS H . . 6.390 3.051 2.327 4.683 . 0 0 "[ . 1 . 2]" 1
220 1 24 PHE HB2 1 34 TYR H . . 5.500 4.004 3.276 4.368 . 0 0 "[ . 1 . 2]" 1
221 1 38 LYS QB 1 101 GLN H . . 6.390 5.756 5.348 6.691 0.301 7 0 "[ . 1 . 2]" 1
222 1 38 LYS QE 1 99 GLN H . . 6.390 6.256 5.084 6.485 0.095 1 0 "[ . 1 . 2]" 1
223 1 104 ILE MG 1 105 SER H . . 4.980 2.649 2.260 3.841 . 0 0 "[ . 1 . 2]" 1
224 1 40 LEU MD2 1 41 ASP H . . 6.530 3.753 2.848 4.960 . 0 0 "[ . 1 . 2]" 1
225 1 40 LEU MD1 1 41 ASP H . . 6.530 4.433 3.217 5.419 . 0 0 "[ . 1 . 2]" 1
226 1 42 LEU MD1 1 43 THR H . . 6.530 3.549 2.227 4.289 . 0 0 "[ . 1 . 2]" 1
227 1 54 ILE MG 1 55 SER H . . 6.530 3.548 3.317 3.830 . 0 0 "[ . 1 . 2]" 1
228 1 53 LEU MD1 1 56 LYS H . . 6.530 5.323 4.935 6.147 . 0 0 "[ . 1 . 2]" 1
229 1 53 LEU MD2 1 56 LYS H . . 6.530 6.181 4.930 6.664 0.134 5 0 "[ . 1 . 2]" 1
230 1 85 ILE MD 1 88 ARG H . . 6.530 5.592 4.622 6.919 0.389 7 0 "[ . 1 . 2]" 1
231 1 84 VAL MG2 1 88 ARG H . . 6.530 5.116 4.166 5.437 . 0 0 "[ . 1 . 2]" 1
232 1 84 VAL MG1 1 88 ARG H . . 6.530 3.982 3.755 4.748 . 0 0 "[ . 1 . 2]" 1
233 1 85 ILE MD 1 86 ILE H . . 6.530 4.467 4.347 4.871 . 0 0 "[ . 1 . 2]" 1
234 1 26 VAL MG2 1 27 ASP H . . 5.630 2.930 2.513 4.193 . 0 0 "[ . 1 . 2]" 1
235 1 26 VAL MG1 1 27 ASP H . . 5.630 3.837 2.686 4.325 . 0 0 "[ . 1 . 2]" 1
236 1 85 ILE MG 1 86 ILE H . . 6.000 3.236 2.913 3.527 . 0 0 "[ . 1 . 2]" 1
237 1 54 ILE MD 1 55 SER H . . 6.530 4.687 4.267 4.951 . 0 0 "[ . 1 . 2]" 1
238 1 23 ILE MD 1 24 PHE H . . 6.530 4.705 3.616 5.314 . 0 0 "[ . 1 . 2]" 1
239 1 60 VAL MG2 1 111 TYR H . . 6.160 4.760 2.972 5.440 . 0 0 "[ . 1 . 2]" 1
240 1 45 ALA MB 1 70 SER H . . 6.530 5.217 4.774 5.696 . 0 0 "[ . 1 . 2]" 1
241 1 60 VAL MG1 1 62 SER H . . 6.530 4.177 3.408 4.664 . 0 0 "[ . 1 . 2]" 1
242 1 45 ALA H 1 85 ILE MD . . 6.530 6.317 5.337 6.562 0.032 15 0 "[ . 1 . 2]" 1
243 1 104 ILE MD 1 105 SER H . . 4.980 4.619 2.232 5.522 0.542 18 1 "[ . 1 . + 2]" 1
244 1 35 MET ME 1 36 HIS H . . 6.400 4.587 3.455 6.186 . 0 0 "[ . 1 . 2]" 1
245 1 60 VAL MG1 1 111 TYR H . . 6.160 3.038 2.172 5.431 . 0 0 "[ . 1 . 2]" 1
246 1 47 TYR H 1 85 ILE MD . . 6.530 6.133 5.257 6.478 . 0 0 "[ . 1 . 2]" 1
247 1 42 LEU MD2 1 43 THR H . . 6.530 3.864 3.003 4.355 . 0 0 "[ . 1 . 2]" 1
248 1 24 PHE H 1 54 ILE MG . . 6.530 3.750 3.280 4.294 . 0 0 "[ . 1 . 2]" 1
249 1 42 LEU MD1 1 47 TYR H . . 6.530 6.104 4.950 6.301 . 0 0 "[ . 1 . 2]" 1
250 1 42 LEU MD2 1 47 TYR H . . 6.530 5.116 4.634 6.181 . 0 0 "[ . 1 . 2]" 1
251 1 19 GLY H 1 26 VAL QG . . 6.430 2.593 2.157 3.614 . 0 0 "[ . 1 . 2]" 1
252 1 21 ALA MB 1 23 ILE QG . . 6.300 6.144 5.756 6.477 0.177 11 0 "[ . 1 . 2]" 1
253 1 21 ALA MB 1 26 VAL QG . . 7.410 4.076 2.979 4.963 . 0 0 "[ . 1 . 2]" 1
254 1 23 ILE H 1 23 ILE QG . . 3.950 2.629 2.278 3.086 . 0 0 "[ . 1 . 2]" 1
255 1 23 ILE MG 1 35 MET QB . . 6.300 4.234 3.096 5.166 . 0 0 "[ . 1 . 2]" 1
256 1 23 ILE MG 1 54 ILE QG . . 6.300 3.972 3.622 4.478 . 0 0 "[ . 1 . 2]" 1
257 1 23 ILE QG 1 24 PHE H . . 4.800 4.425 4.225 4.651 . 0 0 "[ . 1 . 2]" 1
258 1 24 PHE QB 1 33 VAL QG . . 5.730 2.959 2.429 4.348 . 0 0 "[ . 1 . 2]" 1
259 1 24 PHE QB 1 51 SER HA . . 5.340 3.946 3.354 4.723 . 0 0 "[ . 1 . 2]" 1
260 1 25 ARG H 1 33 VAL QG . . 5.830 3.485 3.016 4.534 . 0 0 "[ . 1 . 2]" 1
261 1 26 VAL HA 1 33 VAL QG . . 6.430 2.933 2.207 3.472 . 0 0 "[ . 1 . 2]" 1
262 1 26 VAL QG 1 27 ASP H . . 4.700 2.620 2.490 2.921 . 0 0 "[ . 1 . 2]" 1
263 1 26 VAL QG 1 28 LYS H . . 6.070 3.477 2.921 3.888 . 0 0 "[ . 1 . 2]" 1
264 1 26 VAL QG 1 51 SER QB . . 7.280 4.463 3.116 5.459 . 0 0 "[ . 1 . 2]" 1
265 1 27 ASP QB 1 32 GLU H . . 4.570 2.773 2.328 3.221 . 0 0 "[ . 1 . 2]" 1
266 1 28 LYS QB 1 31 ARG QB . . 6.170 5.960 5.050 6.556 0.386 20 0 "[ . 1 . 2]" 1
267 1 30 SER H 1 31 ARG QB . . 4.620 4.878 4.636 5.403 0.783 15 4 "[ * .* 1 - + 2]" 1
268 1 30 SER QB 1 32 GLU QG . . 6.170 2.286 2.130 2.659 . 0 0 "[ . 1 . 2]" 1
269 1 32 GLU H 1 33 VAL QG . . 6.430 4.929 3.898 5.380 . 0 0 "[ . 1 . 2]" 1
270 1 32 GLU QB 1 41 ASP QB . . 4.760 2.645 2.114 3.864 . 0 0 "[ . 1 . 2]" 1
271 1 33 VAL QG 1 51 SER HA . . 6.430 3.560 3.107 4.504 . 0 0 "[ . 1 . 2]" 1
272 1 33 VAL QG 1 54 ILE HB . . 6.430 5.218 4.622 6.274 . 0 0 "[ . 1 . 2]" 1
273 1 33 VAL QG 1 54 ILE MD . . 7.410 4.243 3.106 5.992 . 0 0 "[ . 1 . 2]" 1
274 1 35 MET QB 1 37 GLU H . . 5.350 2.874 2.209 3.299 . 0 0 "[ . 1 . 2]" 1
275 1 35 MET QB 1 50 LEU QD . . 6.200 3.815 2.721 5.345 . 0 0 "[ . 1 . 2]" 1
276 1 35 MET QB 1 54 ILE QG . . 5.190 3.878 3.142 4.467 . 0 0 "[ . 1 . 2]" 1
277 1 35 MET QB 1 54 ILE MD . . 6.300 3.012 2.244 4.191 . 0 0 "[ . 1 . 2]" 1
278 1 35 MET QG 1 36 HIS QB . . 6.170 4.031 3.056 5.752 . 0 0 "[ . 1 . 2]" 1
279 1 36 HIS QB 1 101 GLN QG . . 6.170 8.572 7.879 9.142 2.972 3 20 [**+********-********] 1
280 1 37 GLU QB 1 38 LYS H . . 3.970 3.163 2.789 3.743 . 0 0 "[ . 1 . 2]" 1
281 1 37 GLU QG 1 101 GLN QB . . 6.170 6.508 4.317 7.447 1.277 7 9 "[-** . +* 1* ** *]" 1
282 1 39 LYS H 1 40 LEU QD . . 6.430 4.923 4.191 5.507 . 0 0 "[ . 1 . 2]" 1
283 1 40 LEU HA 1 92 LYS QB . . 5.350 4.057 3.456 4.542 . 0 0 "[ . 1 . 2]" 1
284 1 40 LEU QD 1 42 LEU QB . . 7.270 3.996 2.688 5.448 . 0 0 "[ . 1 . 2]" 1
285 1 40 LEU QD 1 47 TYR QB . . 6.190 5.623 3.925 6.328 0.138 13 0 "[ . 1 . 2]" 1
286 1 40 LEU QD 1 93 ILE QG . . 5.730 4.653 3.762 6.706 0.976 20 1 "[ . 1 . +]" 1
287 1 41 ASP H 1 42 LEU QD . . 6.430 3.825 2.790 4.877 . 0 0 "[ . 1 . 2]" 1
288 1 41 ASP HA 1 42 LEU QD . . 6.430 4.806 4.109 5.266 . 0 0 "[ . 1 . 2]" 1
289 1 42 LEU QD 1 43 THR H . . 5.340 3.225 2.218 3.644 . 0 0 "[ . 1 . 2]" 1
290 1 42 LEU QD 1 46 GLU QB . . 5.730 2.276 2.021 3.362 . 0 0 "[ . 1 . 2]" 1
291 1 42 LEU QD 1 47 TYR H . . 5.510 4.822 4.456 5.485 . 0 0 "[ . 1 . 2]" 1
292 1 43 THR MG 1 85 ILE QG . . 6.300 6.644 3.624 7.694 1.394 2 12 "[*+ .* **** **- * *]" 1
293 1 45 ALA MB 1 84 VAL QG . . 7.410 5.397 4.310 6.067 . 0 0 "[ . 1 . 2]" 1
294 1 46 GLU QB 1 84 VAL QG . . 6.200 5.052 4.321 5.833 . 0 0 "[ . 1 . 2]" 1
295 1 46 GLU QB 1 89 LEU QD . . 6.200 4.583 2.989 5.374 . 0 0 "[ . 1 . 2]" 1
296 1 46 GLU QG 1 89 LEU QD . . 7.270 4.747 2.781 5.806 . 0 0 "[ . 1 . 2]" 1
297 1 49 ILE H 1 69 GLU QB . . 4.240 4.466 4.067 5.042 0.802 7 4 "[ .*+* 1 . -2]" 1
298 1 49 ILE HA 1 52 LEU QB . . 5.350 2.978 2.236 3.268 . 0 0 "[ . 1 . 2]" 1
299 1 49 ILE HA 1 69 GLU QB . . 5.350 2.559 2.126 3.695 . 0 0 "[ . 1 . 2]" 1
300 1 49 ILE MG 1 89 LEU QD . . 7.410 6.702 5.734 7.329 . 0 0 "[ . 1 . 2]" 1
301 1 49 ILE QG 1 52 LEU H . . 5.320 5.536 5.367 5.857 0.537 7 1 "[ . + 1 . 2]" 1
302 1 50 LEU HG 1 89 LEU QD . . 6.430 4.445 3.253 5.089 . 0 0 "[ . 1 . 2]" 1
303 1 50 LEU QD 1 53 LEU HG . . 6.430 5.029 3.831 6.685 0.255 15 0 "[ . 1 . 2]" 1
304 1 50 LEU QD 1 54 ILE H . . 5.710 3.895 3.322 5.090 . 0 0 "[ . 1 . 2]" 1
305 1 50 LEU QD 1 86 ILE HA . . 6.430 6.609 5.142 8.134 1.704 7 3 "[ . + 1 -* 2]" 1
306 1 50 LEU QD 1 89 LEU QB . . 6.200 4.624 3.994 5.580 . 0 0 "[ . 1 . 2]" 1
307 1 50 LEU QD 1 89 LEU QD . . 7.250 2.639 2.125 3.826 . 0 0 "[ . 1 . 2]" 1
308 1 52 LEU QB 1 69 GLU QB . . 5.190 3.525 3.226 3.766 . 0 0 "[ . 1 . 2]" 1
309 1 52 LEU QB 1 69 GLU QG . . 6.170 2.518 2.020 3.467 . 0 0 "[ . 1 . 2]" 1
310 1 52 LEU QD 1 56 LYS QG . . 7.270 3.658 2.229 4.958 . 0 0 "[ . 1 . 2]" 1
311 1 52 LEU QD 1 66 ILE MG . . 7.410 7.283 5.756 8.132 0.722 2 2 "[-+ . 1 . 2]" 1
312 1 52 LEU QD 1 68 ILE MG . . 7.410 4.757 3.887 5.483 . 0 0 "[ . 1 . 2]" 1
313 1 53 LEU QD 1 57 LYS HA . . 6.430 5.047 4.313 5.361 . 0 0 "[ . 1 . 2]" 1
314 1 53 LEU QD 1 66 ILE MG . . 7.410 5.912 5.669 6.340 . 0 0 "[ . 1 . 2]" 1
315 1 53 LEU QD 1 113 LEU QB . . 6.200 2.641 1.918 4.187 . 0 0 "[ . 1 . 2]" 1
316 1 54 ILE MD 1 113 LEU QD . . 7.410 3.019 2.001 4.198 . 0 0 "[ . 1 . 2]" 1
317 1 56 LYS QG 1 57 LYS QB . . 6.170 4.169 3.443 4.818 . 0 0 "[ . 1 . 2]" 1
318 1 57 LYS QB 1 113 LEU QD . . 6.200 5.941 5.322 6.758 0.558 18 1 "[ . 1 . + 2]" 1
319 1 59 TYR QB 1 60 VAL QG . . 5.730 4.401 4.110 4.555 . 0 0 "[ . 1 . 2]" 1
320 1 59 TYR HD1 1 60 VAL QG . . 6.430 4.238 3.818 4.525 . 0 0 "[ . 1 . 2]" 1
321 1 60 VAL HA 1 112 LYS QB . . 5.350 3.793 3.474 3.994 . 0 0 "[ . 1 . 2]" 1
322 1 60 VAL QG 1 61 PHE QD . . 6.430 5.219 4.624 5.461 . 0 0 "[ . 1 . 2]" 1
323 1 60 VAL QG 1 63 ARG H . . 6.430 5.381 4.786 5.814 . 0 0 "[ . 1 . 2]" 1
324 1 60 VAL QG 1 106 VAL HB . . 6.430 3.229 2.669 4.183 . 0 0 "[ . 1 . 2]" 1
325 1 60 VAL QG 1 106 VAL QG . . 7.250 2.781 2.000 3.877 . 0 0 "[ . 1 . 2]" 1
326 1 60 VAL QG 1 111 TYR H . . 5.270 2.798 2.167 3.289 . 0 0 "[ . 1 . 2]" 1
327 1 60 VAL QG 1 113 LEU H . . 6.430 3.936 3.637 4.462 . 0 0 "[ . 1 . 2]" 1
328 1 61 PHE QB 1 86 ILE QG . . 6.170 5.674 4.398 7.468 1.298 16 1 "[ . 1 .+ 2]" 1
329 1 62 SER QB 1 63 ARG QD . . 6.170 5.245 3.049 6.095 . 0 0 "[ . 1 . 2]" 1
330 1 63 ARG QD 1 82 ILE QG . . 6.170 4.735 3.864 5.759 . 0 0 "[ . 1 . 2]" 1
331 1 66 ILE QG 1 81 SER QB . . 6.170 5.615 4.097 6.866 0.696 12 1 "[ . 1 + . 2]" 1
332 1 66 ILE QG 1 82 ILE QG . . 5.190 3.442 2.232 5.464 0.274 17 0 "[ . 1 . 2]" 1
333 1 66 ILE QG 1 82 ILE MD . . 6.300 3.122 2.147 5.146 . 0 0 "[ . 1 . 2]" 1
334 1 66 ILE MD 1 86 ILE QG . . 6.300 5.121 4.124 5.864 . 0 0 "[ . 1 . 2]" 1
335 1 68 ILE MD 1 69 GLU QB . . 6.300 5.772 5.186 6.220 . 0 0 "[ . 1 . 2]" 1
336 1 82 ILE MD 1 86 ILE QG . . 6.300 3.858 2.061 5.532 . 0 0 "[ . 1 . 2]" 1
337 1 83 ASP HA 1 84 VAL QG . . 6.430 5.029 4.921 5.232 . 0 0 "[ . 1 . 2]" 1
338 1 83 ASP HA 1 86 ILE QG . . 5.350 4.474 3.751 4.765 . 0 0 "[ . 1 . 2]" 1
339 1 83 ASP QB 1 84 VAL QG . . 6.190 3.616 3.387 4.369 . 0 0 "[ . 1 . 2]" 1
340 1 84 VAL QG 1 85 ILE HA . . 6.430 3.127 2.989 3.312 . 0 0 "[ . 1 . 2]" 1
341 1 84 VAL QG 1 85 ILE MG . . 7.410 4.508 4.211 4.705 . 0 0 "[ . 1 . 2]" 1
342 1 84 VAL QG 1 86 ILE H . . 6.430 4.900 4.599 5.033 . 0 0 "[ . 1 . 2]" 1
343 1 84 VAL QG 1 87 GLY H . . 6.430 4.719 4.603 4.888 . 0 0 "[ . 1 . 2]" 1
344 1 84 VAL QG 1 88 ARG QD . . 7.270 3.130 2.178 4.681 . 0 0 "[ . 1 . 2]" 1
345 1 85 ILE HA 1 89 LEU QD . . 6.430 4.609 2.851 5.214 . 0 0 "[ . 1 . 2]" 1
346 1 86 ILE MG 1 89 LEU QD . . 7.410 4.186 3.059 5.098 . 0 0 "[ . 1 . 2]" 1
347 1 89 LEU HA 1 93 ILE QG . . 5.350 4.709 4.347 5.869 0.519 20 1 "[ . 1 . +]" 1
348 1 89 LEU QB 1 93 ILE MD . . 6.300 5.368 3.847 6.649 0.349 20 0 "[ . 1 . 2]" 1
349 1 89 LEU QD 1 90 ARG QD . . 7.270 4.835 2.925 6.420 . 0 0 "[ . 1 . 2]" 1
350 1 89 LEU QD 1 93 ILE QG . . 5.370 2.932 2.314 4.501 . 0 0 "[ . 1 . 2]" 1
351 1 92 LYS QB 1 93 ILE HA . . 5.350 4.085 3.901 4.270 . 0 0 "[ . 1 . 2]" 1
352 1 92 LYS QB 1 93 ILE HB . . 5.350 5.386 5.069 5.598 0.248 9 0 "[ . 1 . 2]" 1
353 1 92 LYS QB 1 93 ILE MD . . 6.300 5.365 4.730 5.954 . 0 0 "[ . 1 . 2]" 1
354 1 103 ILE MG 1 104 ILE QG . . 6.300 4.792 4.347 6.049 . 0 0 "[ . 1 . 2]" 1
355 1 103 ILE QG 1 113 LEU HA . . 5.350 3.737 3.128 4.429 . 0 0 "[ . 1 . 2]" 1
356 1 103 ILE MD 1 111 TYR QB . . 6.300 3.554 2.173 5.975 . 0 0 "[ . 1 . 2]" 1
357 1 104 ILE QG 1 106 VAL QG . . 6.200 4.999 3.303 5.566 . 0 0 "[ . 1 . 2]" 1
358 1 106 VAL QG 1 112 LYS QG . . 7.270 3.961 3.375 4.803 . 0 0 "[ . 1 . 2]" 1
359 1 106 VAL QG 1 112 LYS QE . . 7.270 4.234 2.569 5.523 . 0 0 "[ . 1 . 2]" 1
360 1 111 TYR QB 1 113 LEU QD . . 5.730 4.428 2.061 5.610 . 0 0 "[ . 1 . 2]" 1
361 1 112 LYS QG 1 114 GLU QB . . 6.170 4.338 3.218 5.215 . 0 0 "[ . 1 . 2]" 1
362 1 113 LEU HA 1 114 GLU QB . . 5.350 4.161 3.936 4.432 . 0 0 "[ . 1 . 2]" 1
363 1 113 LEU QB 1 114 GLU H . . 4.100 3.159 2.139 3.598 . 0 0 "[ . 1 . 2]" 1
364 1 113 LEU QD 1 114 GLU HA . . 6.430 3.918 3.090 5.315 . 0 0 "[ . 1 . 2]" 1
365 1 114 GLU H 1 114 GLU QB . . 3.440 3.021 2.708 3.252 . 0 0 "[ . 1 . 2]" 1
366 1 82 ILE HA 1 85 ILE HB . . 5.500 2.368 2.192 2.581 . 0 0 "[ . 1 . 2]" 1
367 1 83 ASP H 1 84 VAL HB . . 5.500 5.088 4.753 5.271 . 0 0 "[ . 1 . 2]" 1
368 1 49 ILE HA 1 52 LEU HB2 . . 5.500 3.521 2.814 3.984 . 0 0 "[ . 1 . 2]" 1
369 1 49 ILE HA 1 52 LEU HB3 . . 5.500 3.268 2.347 3.737 . 0 0 "[ . 1 . 2]" 1
370 1 86 ILE HA 1 89 LEU HB2 . . 5.500 3.482 2.532 4.401 . 0 0 "[ . 1 . 2]" 1
371 1 86 ILE HA 1 89 LEU HB3 . . 5.500 2.935 2.330 4.376 . 0 0 "[ . 1 . 2]" 1
372 1 45 ALA HA 1 48 GLU HB3 . . 5.500 3.438 2.920 4.771 . 0 0 "[ . 1 . 2]" 1
373 1 45 ALA HA 1 48 GLU HB2 . . 5.500 2.895 2.437 3.880 . 0 0 "[ . 1 . 2]" 1
374 1 49 ILE HB 1 50 LEU H . . 5.500 3.180 2.396 3.961 . 0 0 "[ . 1 . 2]" 1
375 1 63 ARG HA 1 79 ASN HA . . 5.500 5.398 4.728 5.606 0.106 12 0 "[ . 1 . 2]" 1
376 1 44 ARG HA 1 47 TYR HA . . 5.500 5.417 5.145 5.540 0.040 7 0 "[ . 1 . 2]" 1
377 1 103 ILE H 1 104 ILE HA . . 5.500 5.087 4.831 5.525 0.025 16 0 "[ . 1 . 2]" 1
378 1 105 SER HA 1 111 TYR HA . . 5.500 2.576 2.155 2.962 . 0 0 "[ . 1 . 2]" 1
379 1 103 ILE HA 1 113 LEU HA . . 5.500 2.776 2.624 2.985 . 0 0 "[ . 1 . 2]" 1
380 1 44 ARG HA 1 47 TYR HB2 . . 5.500 3.929 3.657 4.296 . 0 0 "[ . 1 . 2]" 1
381 1 44 ARG HA 1 47 TYR HB3 . . 5.500 2.473 2.177 2.753 . 0 0 "[ . 1 . 2]" 1
382 1 27 ASP HA 1 28 LYS QB . . 6.390 4.159 3.823 4.428 . 0 0 "[ . 1 . 2]" 1
383 1 71 GLU QB 1 72 SER HA . . 6.390 4.573 4.328 4.751 . 0 0 "[ . 1 . 2]" 1
384 1 72 SER QB 1 73 ILE HA . . 6.390 4.571 4.253 4.848 . 0 0 "[ . 1 . 2]" 1
385 1 33 VAL H 1 41 ASP HA . . 5.190 3.051 2.999 3.126 . 0 0 "[ . 1 . 2]" 1
386 1 60 VAL HA 1 112 LYS HA . . 5.500 2.213 2.098 2.352 . 0 0 "[ . 1 . 2]" 1
387 1 34 TYR HA 1 39 LYS HA . . 5.500 2.252 2.012 2.646 . 0 0 "[ . 1 . 2]" 1
388 1 107 ARG QB 1 108 GLY H . . 6.390 3.529 2.156 3.775 . 0 0 "[ . 1 . 2]" 1
389 1 64 GLU HA 1 76 GLU HA . . 5.500 5.103 3.773 5.552 0.052 4 0 "[ . 1 . 2]" 1
390 1 23 ILE HA 1 36 HIS HA . . 5.500 5.188 4.659 5.541 0.041 5 0 "[ . 1 . 2]" 1
391 1 67 ALA HA 1 72 SER H . . 5.500 4.909 3.878 5.558 0.058 4 0 "[ . 1 . 2]" 1
392 1 39 LYS H 1 98 LYS HA . . 5.500 5.558 5.090 5.675 0.175 4 0 "[ . 1 . 2]" 1
393 1 35 MET H 1 38 LYS QB . . 6.390 4.956 3.662 5.364 . 0 0 "[ . 1 . 2]" 1
394 1 18 PRO HA 1 27 ASP HA . . 5.500 3.182 2.658 3.784 . 0 0 "[ . 1 . 2]" 1
395 1 102 TYR HA 1 104 ILE H . . 5.500 5.628 5.587 5.703 0.203 5 0 "[ . 1 . 2]" 1
396 1 100 PRO HA 1 102 TYR HA . . 5.500 6.637 6.505 6.715 1.215 16 20 [********-******+****] 1
397 1 101 GLN H 1 102 TYR HA . . 5.500 4.484 4.341 4.588 . 0 0 "[ . 1 . 2]" 1
398 1 57 LYS HA 1 114 GLU HA . . 5.500 5.500 5.128 5.645 0.145 11 0 "[ . 1 . 2]" 1
399 1 20 ASP HA 1 25 ARG HA . . 2.680 2.072 1.984 2.200 . 0 0 "[ . 1 . 2]" 1
400 1 24 PHE HA 1 35 MET HA . . 5.500 2.562 2.346 2.924 . 0 0 "[ . 1 . 2]" 1
401 1 28 LYS QB 1 30 SER HA . . 6.300 7.273 6.932 7.619 1.319 3 20 [**+***-*************] 1
402 1 51 SER HA 1 54 ILE HB . . 5.500 3.213 2.849 3.630 . 0 0 "[ . 1 . 2]" 1
403 1 23 ILE H 1 55 SER HA . . 5.500 5.545 5.500 5.592 0.092 2 0 "[ . 1 . 2]" 1
404 1 54 ILE HA 1 57 LYS HA . . 5.500 3.697 3.505 3.901 . 0 0 "[ . 1 . 2]" 1
405 1 83 ASP HA 1 86 ILE HB . . 5.500 3.312 2.828 3.754 . 0 0 "[ . 1 . 2]" 1
406 1 84 VAL HA 1 87 GLY QA . . 6.390 3.944 3.692 4.253 . 0 0 "[ . 1 . 2]" 1
407 1 66 ILE HA 1 68 ILE HB . . 5.500 5.309 5.104 5.474 . 0 0 "[ . 1 . 2]" 1
408 1 113 LEU HB3 1 114 GLU H . . 5.500 3.399 2.274 3.939 . 0 0 "[ . 1 . 2]" 1
409 1 113 LEU HB2 1 114 GLU H . . 5.500 4.017 2.156 4.309 . 0 0 "[ . 1 . 2]" 1
410 1 52 LEU H 1 53 LEU HA . . 5.500 5.355 5.272 5.441 . 0 0 "[ . 1 . 2]" 1
411 1 32 GLU HA 1 42 LEU H . . 5.040 3.834 3.107 4.429 . 0 0 "[ . 1 . 2]" 1
412 1 52 LEU HA 1 56 LYS H . . 5.500 3.850 3.612 4.062 . 0 0 "[ . 1 . 2]" 1
413 1 40 LEU HA 1 41 ASP HB2 . . 5.500 4.777 3.994 5.555 0.055 17 0 "[ . 1 . 2]" 1
414 1 40 LEU HA 1 41 ASP HB3 . . 5.500 4.333 3.735 5.321 . 0 0 "[ . 1 . 2]" 1
415 1 40 LEU HA 1 89 LEU HG . . 5.500 5.296 4.719 5.623 0.123 9 0 "[ . 1 . 2]" 1
416 1 35 MET QG 1 98 LYS QE . . 7.270 7.090 5.367 7.368 0.098 8 0 "[ . 1 . 2]" 1
417 1 48 GLU QG 1 69 GLU QG . . 7.280 4.628 3.437 7.275 . 0 0 "[ . 1 . 2]" 1
418 1 47 TYR HD2 1 48 GLU QG . . 6.390 5.679 3.634 6.454 0.064 7 0 "[ . 1 . 2]" 1
419 1 47 TYR HD1 1 48 GLU QG . . 6.390 6.156 4.558 6.493 0.103 4 0 "[ . 1 . 2]" 1
420 1 46 GLU HA 1 85 ILE HB . . 5.500 6.364 5.911 6.999 1.499 17 18 "[*** *****-****.*+***]" 1
421 1 44 ARG QG 1 47 TYR HB3 . . 6.390 4.222 3.972 4.636 . 0 0 "[ . 1 . 2]" 1
422 1 44 ARG QG 1 47 TYR HB2 . . 6.390 5.438 5.015 5.857 . 0 0 "[ . 1 . 2]" 1
423 1 48 GLU QG 1 70 SER HB3 . . 6.390 5.437 3.788 6.406 0.016 3 0 "[ . 1 . 2]" 1
424 1 48 GLU QG 1 70 SER HB2 . . 6.390 5.136 4.120 6.136 . 0 0 "[ . 1 . 2]" 1
425 1 48 GLU HB3 1 69 GLU QG . . 6.390 5.129 4.663 6.038 . 0 0 "[ . 1 . 2]" 1
426 1 63 ARG QD 1 77 SER HA . . 6.390 4.056 2.504 5.538 . 0 0 "[ . 1 . 2]" 1
427 1 48 GLU HB2 1 69 GLU QG . . 6.390 6.269 4.699 6.505 0.115 18 0 "[ . 1 . 2]" 1
428 1 64 GLU QG 1 77 SER QB . . 7.280 5.628 4.247 7.079 . 0 0 "[ . 1 . 2]" 1
429 1 105 SER QB 1 112 LYS H . . 6.390 5.377 5.059 5.668 . 0 0 "[ . 1 . 2]" 1
430 1 105 SER HA 1 111 TYR QD . . 5.500 3.175 2.236 4.535 . 0 0 "[ . 1 . 2]" 1
431 1 105 SER QB 1 111 TYR QD . . 6.390 3.815 2.424 5.566 . 0 0 "[ . 1 . 2]" 1
432 1 75 PRO QG 1 77 SER QB . . 7.290 4.900 3.946 5.800 . 0 0 "[ . 1 . 2]" 1
433 1 76 GLU QG 1 77 SER HA . . 6.390 4.336 3.709 6.053 . 0 0 "[ . 1 . 2]" 1
434 1 71 GLU QB 1 72 SER QB . . 7.280 5.047 4.363 5.436 . 0 0 "[ . 1 . 2]" 1
435 1 50 LEU HA 1 61 PHE QD . . 5.500 4.890 4.352 5.115 . 0 0 "[ . 1 . 2]" 1
436 1 101 GLN QG 1 102 TYR QB . . 7.270 3.406 2.517 3.770 . 0 0 "[ . 1 . 2]" 1
437 1 104 ILE HB 1 112 LYS QG . . 6.390 4.361 3.568 6.423 0.033 16 0 "[ . 1 . 2]" 1
438 1 112 LYS QG 1 113 LEU HA . . 6.390 4.159 3.455 4.843 . 0 0 "[ . 1 . 2]" 1
439 1 102 TYR QB 1 113 LEU HA . . 6.390 4.361 3.883 4.886 . 0 0 "[ . 1 . 2]" 1
440 1 49 ILE HA 1 69 GLU QG . . 6.390 3.352 2.336 4.633 . 0 0 "[ . 1 . 2]" 1
441 1 44 ARG QG 1 48 GLU QG . . 7.280 5.518 2.947 7.300 0.020 7 0 "[ . 1 . 2]" 1
442 1 54 ILE HA 1 56 LYS QG . . 6.390 5.036 4.734 5.213 . 0 0 "[ . 1 . 2]" 1
443 1 63 ARG QD 1 79 ASN QB . . 7.280 3.897 2.410 6.247 . 0 0 "[ . 1 . 2]" 1
444 1 84 VAL HA 1 88 ARG QD . . 6.390 4.372 2.262 6.336 . 0 0 "[ . 1 . 2]" 1
445 1 35 MET QG 1 38 LYS QG . . 7.280 4.497 3.420 7.306 0.026 3 0 "[ . 1 . 2]" 1
446 1 35 MET HB3 1 38 LYS QE . . 6.390 4.939 4.150 6.454 0.064 4 0 "[ . 1 . 2]" 1
447 1 53 LEU HG 1 69 GLU QG . . 6.390 7.669 5.918 10.038 3.648 19 16 "[*********1** -.* *+*]" 1
448 1 24 PHE HB2 1 35 MET QG . . 6.390 4.540 3.380 5.267 . 0 0 "[ . 1 . 2]" 1
449 1 24 PHE HB3 1 35 MET QG . . 6.390 3.599 2.603 4.258 . 0 0 "[ . 1 . 2]" 1
450 1 24 PHE QD 1 33 VAL HB . . 5.500 4.691 3.191 5.506 0.006 10 0 "[ . 1 . 2]" 1
451 1 33 VAL HB 1 47 TYR HD1 . . 5.500 2.946 2.226 4.671 . 0 0 "[ . 1 . 2]" 1
452 1 67 ALA HA 1 73 ILE HB . . 5.500 4.825 3.908 5.532 0.032 8 0 "[ . 1 . 2]" 1
453 1 75 PRO QD 1 76 GLU HA . . 6.390 5.775 5.492 5.917 . 0 0 "[ . 1 . 2]" 1
454 1 57 LYS QG 1 114 GLU HA . . 6.390 5.360 3.328 6.360 . 0 0 "[ . 1 . 2]" 1
455 1 23 ILE HB 1 55 SER HA . . 5.500 5.081 4.732 5.556 0.056 1 0 "[ . 1 . 2]" 1
456 1 34 TYR QD 1 39 LYS QE . . 6.390 4.320 3.382 5.574 . 0 0 "[ . 1 . 2]" 1
457 1 35 MET HB2 1 38 LYS QE . . 6.390 5.289 3.798 6.545 0.155 18 0 "[ . 1 . 2]" 1
458 1 63 ARG QD 1 79 ASN HA . . 6.390 3.516 2.457 5.969 . 0 0 "[ . 1 . 2]" 1
459 1 72 SER QB 1 73 ILE HB . . 6.390 4.928 3.793 5.938 . 0 0 "[ . 1 . 2]" 1
460 1 18 PRO HB2 1 27 ASP HA . . 5.500 3.255 2.745 3.690 . 0 0 "[ . 1 . 2]" 1
461 1 18 PRO HB3 1 27 ASP HA . . 5.500 2.410 2.195 3.011 . 0 0 "[ . 1 . 2]" 1
462 1 53 LEU HG 1 58 GLY H . . 5.500 4.886 4.545 5.498 . 0 0 "[ . 1 . 2]" 1
463 1 53 LEU HG 1 61 PHE QD . . 5.500 4.812 4.621 5.033 . 0 0 "[ . 1 . 2]" 1
464 1 24 PHE HA 1 35 MET QG . . 6.390 4.350 3.935 5.061 . 0 0 "[ . 1 . 2]" 1
465 1 38 LYS HA 1 98 LYS QG . . 6.390 3.023 2.185 4.106 . 0 0 "[ . 1 . 2]" 1
466 1 38 LYS QB 1 98 LYS QG . . 7.280 2.385 1.989 3.839 . 0 0 "[ . 1 . 2]" 1
467 1 26 VAL HB 1 33 VAL HB . . 5.500 4.727 3.781 5.555 0.055 6 0 "[ . 1 . 2]" 1
468 1 31 ARG HA 1 44 ARG QG . . 6.390 5.858 4.981 6.411 0.021 15 0 "[ . 1 . 2]" 1
469 1 45 ALA HA 1 48 GLU QG . . 6.390 3.950 2.140 5.212 . 0 0 "[ . 1 . 2]" 1
470 1 71 GLU QG 1 81 SER QB . . 7.280 7.265 6.916 7.379 0.099 1 0 "[ . 1 . 2]" 1
471 1 37 GLU HA 1 101 GLN QG . . 6.390 5.956 5.526 6.372 . 0 0 "[ . 1 . 2]" 1
472 1 38 LYS QG 1 93 ILE HB . . 6.390 6.212 4.393 6.531 0.141 3 0 "[ . 1 . 2]" 1
473 1 63 ARG QB 1 79 ASN HA . . 6.390 3.652 2.613 4.956 . 0 0 "[ . 1 . 2]" 1
474 1 61 PHE QB 1 111 TYR QD . . 6.390 3.659 2.484 4.672 . 0 0 "[ . 1 . 2]" 1
475 1 106 VAL HB 1 111 TYR HA . . 5.500 3.930 3.366 4.387 . 0 0 "[ . 1 . 2]" 1
476 1 18 PRO HA 1 28 LYS QB . . 6.390 3.183 2.246 4.443 . 0 0 "[ . 1 . 2]" 1
477 1 23 ILE MG 1 35 MET ME . . 7.560 3.843 2.148 5.870 . 0 0 "[ . 1 . 2]" 1
478 1 24 PHE QD 1 54 ILE MD . . 6.530 3.960 2.486 5.065 . 0 0 "[ . 1 . 2]" 1
479 1 68 ILE MG 1 69 GLU HA . . 6.530 3.383 3.176 3.536 . 0 0 "[ . 1 . 2]" 1
480 1 82 ILE HA 1 85 ILE MD . . 6.530 3.682 2.284 4.572 . 0 0 "[ . 1 . 2]" 1
481 1 82 ILE HA 1 85 ILE MG . . 6.530 3.835 3.603 4.132 . 0 0 "[ . 1 . 2]" 1
482 1 49 ILE MG 1 85 ILE MG . . 7.560 4.860 4.339 5.826 . 0 0 "[ . 1 . 2]" 1
483 1 49 ILE HB 1 85 ILE MG . . 6.530 4.975 4.557 5.577 . 0 0 "[ . 1 . 2]" 1
484 1 86 ILE HA 1 89 LEU MD1 . . 6.530 3.520 2.975 4.251 . 0 0 "[ . 1 . 2]" 1
485 1 46 GLU HA 1 49 ILE MG . . 6.530 4.184 2.400 4.740 . 0 0 "[ . 1 . 2]" 1
486 1 81 SER HA 1 84 VAL MG1 . . 6.530 4.105 2.381 4.594 . 0 0 "[ . 1 . 2]" 1
487 1 46 GLU QG 1 85 ILE MD . . 7.420 2.270 1.870 3.632 . 0 0 "[ . 1 . 2]" 1
488 1 49 ILE MD 1 85 ILE MG . . 7.560 2.835 1.982 6.034 . 0 0 "[ . 1 . 2]" 1
489 1 85 ILE MG 1 86 ILE HA . . 6.530 3.457 3.105 3.715 . 0 0 "[ . 1 . 2]" 1
490 1 24 PHE HB2 1 54 ILE MD . . 6.530 4.264 3.002 5.677 . 0 0 "[ . 1 . 2]" 1
491 1 24 PHE HB3 1 54 ILE MD . . 6.530 3.267 2.141 4.732 . 0 0 "[ . 1 . 2]" 1
492 1 53 LEU MD1 1 54 ILE H . . 6.530 4.677 4.460 4.815 . 0 0 "[ . 1 . 2]" 1
493 1 45 ALA MB 1 70 SER HB3 . . 6.530 3.441 2.642 3.808 . 0 0 "[ . 1 . 2]" 1
494 1 45 ALA MB 1 70 SER HB2 . . 6.530 2.328 2.024 3.308 . 0 0 "[ . 1 . 2]" 1
495 1 46 GLU HA 1 85 ILE MG . . 6.530 3.921 3.501 4.392 . 0 0 "[ . 1 . 2]" 1
496 1 49 ILE MD 1 69 GLU QG . . 7.420 5.631 3.380 6.507 . 0 0 "[ . 1 . 2]" 1
497 1 93 ILE MG 1 98 LYS QE . . 7.420 3.880 2.047 5.219 . 0 0 "[ . 1 . 2]" 1
498 1 104 ILE MG 1 112 LYS QE . . 7.420 4.120 2.105 5.751 . 0 0 "[ . 1 . 2]" 1
499 1 86 ILE MG 1 87 GLY QA . . 7.420 3.285 2.916 3.639 . 0 0 "[ . 1 . 2]" 1
500 1 83 ASP HA 1 86 ILE MG . . 6.530 4.506 4.015 5.008 . 0 0 "[ . 1 . 2]" 1
501 1 64 GLU QG 1 68 ILE MD . . 7.420 3.785 2.220 6.359 . 0 0 "[ . 1 . 2]" 1
502 1 66 ILE MD 1 85 ILE HB . . 6.530 4.182 3.323 5.499 . 0 0 "[ . 1 . 2]" 1
503 1 63 ARG HA 1 66 ILE MG . . 6.530 3.528 3.053 4.340 . 0 0 "[ . 1 . 2]" 1
504 1 49 ILE MD 1 66 ILE MG . . 7.560 2.293 1.970 3.527 . 0 0 "[ . 1 . 2]" 1
505 1 56 LYS QE 1 66 ILE MG . . 7.420 7.526 7.465 7.632 0.212 17 0 "[ . 1 . 2]" 1
506 1 45 ALA MB 1 85 ILE MD . . 7.560 4.210 3.355 4.596 . 0 0 "[ . 1 . 2]" 1
507 1 73 ILE MG 1 77 SER QB . . 7.420 6.285 5.655 7.463 0.043 16 0 "[ . 1 . 2]" 1
508 1 67 ALA MB 1 73 ILE MD . . 7.560 6.317 5.615 7.192 . 0 0 "[ . 1 . 2]" 1
509 1 85 ILE MG 1 86 ILE MD . . 7.560 3.663 2.353 5.024 . 0 0 "[ . 1 . 2]" 1
510 1 66 ILE MD 1 71 GLU QB . . 7.420 7.483 7.158 7.601 0.181 12 0 "[ . 1 . 2]" 1
511 1 67 ALA MB 1 73 ILE HB . . 6.530 4.621 3.472 5.483 . 0 0 "[ . 1 . 2]" 1
512 1 46 GLU QG 1 85 ILE MG . . 7.420 2.578 2.037 3.347 . 0 0 "[ . 1 . 2]" 1
513 1 68 ILE MG 1 69 GLU QG . . 7.420 3.915 2.405 4.621 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE MG 1 35 MET QG . . 7.410 3.223 2.166 4.468 . 0 0 "[ . 1 . 2]" 1
515 1 86 ILE HA 1 89 LEU MD2 . . 6.530 4.488 3.545 5.520 . 0 0 "[ . 1 . 2]" 1
516 1 45 ALA MB 1 48 GLU QG . . 7.420 4.964 3.726 6.116 . 0 0 "[ . 1 . 2]" 1
517 1 66 ILE MG 1 69 GLU QG . . 7.420 6.292 4.974 6.920 . 0 0 "[ . 1 . 2]" 1
518 1 23 ILE MG 1 24 PHE HB2 . . 6.530 5.224 4.793 5.907 . 0 0 "[ . 1 . 2]" 1
519 1 23 ILE MG 1 36 HIS HB2 . . 6.530 2.771 2.417 3.243 . 0 0 "[ . 1 . 2]" 1
520 1 23 ILE MG 1 36 HIS HB3 . . 6.530 2.723 2.430 3.144 . 0 0 "[ . 1 . 2]" 1
521 1 23 ILE MG 1 24 PHE HB3 . . 6.530 3.822 3.305 4.559 . 0 0 "[ . 1 . 2]" 1
522 1 23 ILE MG 1 35 MET HA . . 6.530 3.813 3.367 4.397 . 0 0 "[ . 1 . 2]" 1
523 1 49 ILE HB 1 66 ILE MD . . 6.530 2.734 2.325 3.562 . 0 0 "[ . 1 . 2]" 1
524 1 49 ILE MG 1 66 ILE MD . . 7.560 2.259 1.953 2.652 . 0 0 "[ . 1 . 2]" 1
525 1 67 ALA MB 1 68 ILE HB . . 6.530 4.655 4.422 4.916 . 0 0 "[ . 1 . 2]" 1
526 1 64 GLU QG 1 67 ALA MB . . 7.420 3.882 3.284 5.055 . 0 0 "[ . 1 . 2]" 1
527 1 38 LYS QE 1 103 ILE MG . . 7.420 4.360 2.230 7.451 0.031 3 0 "[ . 1 . 2]" 1
528 1 81 SER QB 1 85 ILE MD . . 7.420 3.818 2.551 4.817 . 0 0 "[ . 1 . 2]" 1
529 1 43 THR MG 1 44 ARG QB . . 7.420 3.588 2.949 5.052 . 0 0 "[ . 1 . 2]" 1
530 1 50 LEU HG 1 85 ILE MG . . 6.530 5.812 4.384 6.537 0.007 14 0 "[ . 1 . 2]" 1
531 1 63 ARG HA 1 82 ILE MD . . 6.530 2.783 2.054 3.891 . 0 0 "[ . 1 . 2]" 1
532 1 67 ALA MB 1 73 ILE H . . 6.530 5.243 4.363 5.800 . 0 0 "[ . 1 . 2]" 1
533 1 67 ALA MB 1 82 ILE MD . . 7.560 5.637 3.468 6.649 . 0 0 "[ . 1 . 2]" 1
534 1 24 PHE HA 1 54 ILE MD . . 6.530 4.890 3.585 6.491 . 0 0 "[ . 1 . 2]" 1
535 1 45 ALA MB 1 70 SER HA . . 6.530 3.491 2.414 4.686 . 0 0 "[ . 1 . 2]" 1
536 1 50 LEU HA 1 54 ILE MD . . 6.530 4.541 3.665 5.129 . 0 0 "[ . 1 . 2]" 1
537 1 49 ILE HA 1 52 LEU MD1 . . 6.530 5.086 4.110 5.723 . 0 0 "[ . 1 . 2]" 1
538 1 49 ILE HA 1 52 LEU MD2 . . 6.530 4.740 3.284 5.601 . 0 0 "[ . 1 . 2]" 1
539 1 45 ALA MB 1 73 ILE MG . . 7.560 6.761 5.268 7.568 0.008 8 0 "[ . 1 . 2]" 1
540 1 81 SER HA 1 84 VAL MG2 . . 6.530 3.619 2.999 4.648 . 0 0 "[ . 1 . 2]" 1
541 1 113 LEU MD1 1 114 GLU H . . 6.530 3.468 1.700 4.622 . 0 0 "[ . 1 . 2]" 1
542 1 43 THR MG 1 44 ARG QG . . 7.420 4.885 2.878 6.602 . 0 0 "[ . 1 . 2]" 1
543 1 63 ARG QB 1 82 ILE MD . . 7.420 2.856 2.125 4.875 . 0 0 "[ . 1 . 2]" 1
544 1 100 PRO HA 1 101 GLN H . . 3.480 2.263 2.217 2.401 . 0 0 "[ . 1 . 2]" 1
545 1 101 GLN H 1 103 ILE H . . 4.540 2.723 2.485 3.034 . 0 0 "[ . 1 . 2]" 1
546 1 23 ILE H 1 24 PHE H . . 3.360 2.362 1.976 2.556 . 0 0 "[ . 1 . 2]" 1
547 1 23 ILE H 1 23 ILE HB . . 3.480 2.526 2.335 2.926 . 0 0 "[ . 1 . 2]" 1
548 1 14 GLU HA 1 15 VAL H . . 3.240 2.523 2.165 3.531 0.291 4 0 "[ . 1 . 2]" 1
549 1 15 VAL H 1 15 VAL HB . . 4.070 3.171 2.401 3.888 . 0 0 "[ . 1 . 2]" 1
550 1 36 HIS HB2 1 37 GLU H . . 4.350 4.118 4.057 4.157 . 0 0 "[ . 1 . 2]" 1
551 1 37 GLU H 1 37 GLU HB2 . . 4.140 2.556 2.332 3.656 . 0 0 "[ . 1 . 2]" 1
552 1 37 GLU H 1 37 GLU HB3 . . 4.140 3.597 2.831 3.732 . 0 0 "[ . 1 . 2]" 1
553 1 15 VAL HA 1 16 SER H . . 3.420 3.201 2.326 3.608 0.188 10 0 "[ . 1 . 2]" 1
554 1 32 GLU H 1 32 GLU HB3 . . 3.980 3.695 3.179 3.929 . 0 0 "[ . 1 . 2]" 1
555 1 32 GLU H 1 32 GLU HB2 . . 3.980 3.147 2.551 4.010 0.030 18 0 "[ . 1 . 2]" 1
556 1 26 VAL HA 1 34 TYR H . . 4.070 3.581 3.445 3.811 . 0 0 "[ . 1 . 2]" 1
557 1 34 TYR H 1 34 TYR HB2 . . 4.040 2.513 2.291 2.729 . 0 0 "[ . 1 . 2]" 1
558 1 34 TYR H 1 34 TYR HB3 . . 4.040 3.676 3.533 3.795 . 0 0 "[ . 1 . 2]" 1
559 1 31 ARG H 1 31 ARG HB2 . . 3.670 3.197 2.980 3.613 . 0 0 "[ . 1 . 2]" 1
560 1 31 ARG H 1 31 ARG HB3 . . 3.670 3.843 3.700 3.975 0.305 13 0 "[ . 1 . 2]" 1
561 1 24 PHE H 1 24 PHE HB2 . . 3.950 3.802 3.750 3.877 . 0 0 "[ . 1 . 2]" 1
562 1 24 PHE H 1 24 PHE HB3 . . 3.950 3.194 3.003 3.358 . 0 0 "[ . 1 . 2]" 1
563 1 26 VAL H 1 26 VAL HB . . 3.210 3.069 2.611 3.210 . 2 0 "[ . 1 . 2]" 1
564 1 30 SER H 1 30 SER HB3 . . 3.730 3.169 2.521 3.657 . 0 0 "[ . 1 . 2]" 1
565 1 30 SER H 1 30 SER HB2 . . 3.730 2.491 2.366 2.718 . 0 0 "[ . 1 . 2]" 1
566 1 33 VAL H 1 33 VAL HB . . 3.580 3.548 3.293 3.888 0.308 11 0 "[ . 1 . 2]" 1
567 1 35 MET H 1 35 MET HB2 . . 3.980 2.635 2.287 3.003 . 0 0 "[ . 1 . 2]" 1
568 1 38 LYS HA 1 39 LYS H . . 2.830 2.294 2.146 2.483 . 0 0 "[ . 1 . 2]" 1
569 1 38 LYS QB 1 39 LYS H . . 4.960 2.717 2.329 3.674 . 0 0 "[ . 1 . 2]" 1
570 1 39 LYS H 1 39 LYS HB3 . . 3.170 2.712 2.260 3.509 0.339 12 0 "[ . 1 . 2]" 1
571 1 34 TYR HA 1 40 LEU H . . 4.420 2.777 2.465 3.303 . 0 0 "[ . 1 . 2]" 1
572 1 40 LEU HA 1 41 ASP H . . 3.420 2.239 2.088 2.366 . 0 0 "[ . 1 . 2]" 1
573 1 41 ASP H 1 41 ASP HB2 . . 3.920 3.467 2.617 4.019 0.099 17 0 "[ . 1 . 2]" 1
574 1 41 ASP H 1 41 ASP HB3 . . 3.920 3.219 2.475 3.778 . 0 0 "[ . 1 . 2]" 1
575 1 43 THR H 1 43 THR HB . . 3.950 3.029 2.477 3.975 0.025 17 0 "[ . 1 . 2]" 1
576 1 46 GLU H 1 46 GLU HB3 . . 3.730 3.424 2.568 3.517 . 0 0 "[ . 1 . 2]" 1
577 1 46 GLU H 1 46 GLU HB2 . . 3.730 2.278 2.060 2.657 . 0 0 "[ . 1 . 2]" 1
578 1 47 TYR H 1 47 TYR HB2 . . 3.580 3.007 2.713 3.276 . 0 0 "[ . 1 . 2]" 1
579 1 47 TYR H 1 47 TYR HB3 . . 3.580 2.209 2.121 2.309 . 0 0 "[ . 1 . 2]" 1
580 1 48 GLU H 1 48 GLU HB2 . . 3.760 2.356 2.104 3.048 . 0 0 "[ . 1 . 2]" 1
581 1 48 GLU H 1 48 GLU HB3 . . 3.760 3.123 2.709 3.743 . 0 0 "[ . 1 . 2]" 1
582 1 49 ILE H 1 49 ILE HB . . 3.450 3.431 2.925 3.639 0.189 13 0 "[ . 1 . 2]" 1
583 1 52 LEU H 1 52 LEU HB2 . . 3.270 2.218 2.040 2.379 . 0 0 "[ . 1 . 2]" 1
584 1 54 ILE H 1 54 ILE HB . . 3.140 2.533 2.412 2.657 . 0 0 "[ . 1 . 2]" 1
585 1 59 TYR H 1 59 TYR HB3 . . 3.300 3.550 3.488 3.585 0.285 3 0 "[ . 1 . 2]" 1
586 1 59 TYR H 1 59 TYR HB2 . . 3.300 3.012 2.903 3.093 . 0 0 "[ . 1 . 2]" 1
587 1 60 VAL H 1 60 VAL HB . . 3.140 2.732 2.544 3.182 0.042 17 0 "[ . 1 . 2]" 1
588 1 62 SER H 1 62 SER HB2 . . 3.640 2.416 2.306 2.581 . 0 0 "[ . 1 . 2]" 1
589 1 62 SER H 1 62 SER HB3 . . 3.640 3.633 3.528 3.775 0.135 15 0 "[ . 1 . 2]" 1
590 1 64 GLU H 1 64 GLU HB2 . . 3.550 2.414 2.229 3.519 . 0 0 "[ . 1 . 2]" 1
591 1 64 GLU H 1 64 GLU HB3 . . 3.550 2.963 2.438 3.537 . 0 0 "[ . 1 . 2]" 1
592 1 68 ILE H 1 68 ILE HB . . 3.050 2.393 2.311 2.493 . 0 0 "[ . 1 . 2]" 1
593 1 69 GLU H 1 69 GLU HB2 . . 3.760 2.235 2.121 2.557 . 0 0 "[ . 1 . 2]" 1
594 1 69 GLU H 1 69 GLU HB3 . . 3.760 3.315 2.822 3.544 . 0 0 "[ . 1 . 2]" 1
595 1 70 SER H 1 70 SER HB2 . . 3.640 3.669 3.419 3.870 0.230 15 0 "[ . 1 . 2]" 1
596 1 70 SER H 1 70 SER HB3 . . 3.640 2.804 2.320 3.264 . 0 0 "[ . 1 . 2]" 1
597 1 73 ILE H 1 73 ILE HB . . 3.270 2.647 2.497 2.916 . 0 0 "[ . 1 . 2]" 1
598 1 76 GLU H 1 76 GLU HB2 . . 3.330 3.140 2.331 3.584 0.254 20 0 "[ . 1 . 2]" 1
599 1 76 GLU H 1 76 GLU HB3 . . 3.330 2.730 2.406 3.548 0.218 2 0 "[ . 1 . 2]" 1
600 1 83 ASP H 1 83 ASP HB2 . . 3.580 2.516 2.445 2.585 . 0 0 "[ . 1 . 2]" 1
601 1 83 ASP H 1 83 ASP HB3 . . 3.580 2.942 2.443 3.680 0.100 12 0 "[ . 1 . 2]" 1
602 1 84 VAL H 1 84 VAL HB . . 3.140 2.507 2.170 2.737 . 0 0 "[ . 1 . 2]" 1
603 1 85 ILE H 1 85 ILE HB . . 3.270 2.544 2.402 2.803 . 0 0 "[ . 1 . 2]" 1
604 1 86 ILE H 1 86 ILE HB . . 3.270 2.423 2.312 2.513 . 0 0 "[ . 1 . 2]" 1
605 1 88 ARG H 1 88 ARG HB2 . . 3.420 2.410 2.185 2.675 . 0 0 "[ . 1 . 2]" 1
606 1 88 ARG H 1 88 ARG HB3 . . 3.420 2.980 2.554 3.514 0.094 12 0 "[ . 1 . 2]" 1
607 1 89 LEU H 1 89 LEU HB2 . . 3.670 2.268 2.201 2.322 . 0 0 "[ . 1 . 2]" 1
608 1 89 LEU H 1 89 LEU HB3 . . 3.670 2.751 2.572 3.586 . 0 0 "[ . 1 . 2]" 1
609 1 90 ARG H 1 90 ARG HB3 . . 3.730 3.353 2.658 3.638 . 0 0 "[ . 1 . 2]" 1
610 1 90 ARG H 1 90 ARG HB2 . . 3.730 2.345 2.146 2.447 . 0 0 "[ . 1 . 2]" 1
611 1 92 LYS H 1 92 LYS HB2 . . 3.480 2.332 2.143 2.495 . 0 0 "[ . 1 . 2]" 1
612 1 93 ILE H 1 93 ILE HB . . 3.700 3.747 3.709 3.776 0.076 13 0 "[ . 1 . 2]" 1
613 1 98 LYS H 1 98 LYS HB2 . . 3.420 2.444 1.983 2.639 . 0 0 "[ . 1 . 2]" 1
614 1 98 LYS H 1 98 LYS HB3 . . 3.420 2.495 2.160 3.328 . 0 0 "[ . 1 . 2]" 1
615 1 103 ILE H 1 103 ILE HB . . 3.550 2.955 2.497 3.197 . 0 0 "[ . 1 . 2]" 1
616 1 104 ILE H 1 104 ILE HB . . 3.550 2.659 2.510 2.998 . 0 0 "[ . 1 . 2]" 1
617 1 106 VAL H 1 106 VAL HB . . 3.550 2.781 2.605 2.929 . 0 0 "[ . 1 . 2]" 1
618 1 109 ILE H 1 109 ILE HB . . 3.420 2.582 2.329 2.798 . 0 0 "[ . 1 . 2]" 1
619 1 111 TYR H 1 111 TYR HB2 . . 4.170 2.986 2.535 3.953 . 0 0 "[ . 1 . 2]" 1
620 1 111 TYR H 1 111 TYR HB3 . . 4.170 3.737 3.434 3.898 . 0 0 "[ . 1 . 2]" 1
621 1 113 LEU H 1 113 LEU HB2 . . 4.040 2.916 2.585 3.929 . 0 0 "[ . 1 . 2]" 1
622 1 113 LEU H 1 113 LEU HB3 . . 4.040 3.037 2.557 3.730 . 0 0 "[ . 1 . 2]" 1
623 1 114 GLU H 1 114 GLU HB3 . . 3.700 3.229 2.884 3.460 . 0 0 "[ . 1 . 2]" 1
624 1 32 GLU HA 1 33 VAL H . . 3.300 2.464 2.304 2.643 . 0 0 "[ . 1 . 2]" 1
625 1 24 PHE HA 1 25 ARG H . . 3.050 2.377 2.143 2.544 . 0 0 "[ . 1 . 2]" 1
626 1 64 GLU HA 1 67 ALA H . . 3.890 3.405 3.091 3.614 . 0 0 "[ . 1 . 2]" 1
627 1 72 SER H 1 73 ILE H . . 3.550 2.870 2.550 3.342 . 0 0 "[ . 1 . 2]" 1
628 1 102 TYR H 1 103 ILE H . . 3.390 2.673 2.486 2.867 . 0 0 "[ . 1 . 2]" 1
629 1 18 PRO HB3 1 19 GLY H . . 4.540 3.522 3.439 3.605 . 0 0 "[ . 1 . 2]" 1
630 1 18 PRO HB2 1 19 GLY H . . 4.540 2.603 2.298 2.776 . 0 0 "[ . 1 . 2]" 1
631 1 85 ILE H 1 86 ILE H . . 3.420 2.899 2.776 3.027 . 0 0 "[ . 1 . 2]" 1
632 1 83 ASP HA 1 86 ILE H . . 4.170 3.842 3.545 4.099 . 0 0 "[ . 1 . 2]" 1
633 1 88 ARG H 1 89 LEU H . . 3.240 2.637 2.525 2.804 . 0 0 "[ . 1 . 2]" 1
634 1 89 LEU H 1 90 ARG H . . 3.450 2.801 2.725 2.872 . 0 0 "[ . 1 . 2]" 1
635 1 62 SER HB3 1 63 ARG H . . 4.110 2.972 2.714 3.280 . 0 0 "[ . 1 . 2]" 1
636 1 27 ASP HA 1 28 LYS H . . 2.870 2.152 2.070 2.208 . 0 0 "[ . 1 . 2]" 1
637 1 112 LYS HA 1 113 LEU H . . 3.520 2.127 2.063 2.187 . 0 0 "[ . 1 . 2]" 1
638 1 68 ILE HB 1 69 GLU H . . 3.640 2.883 2.679 3.064 . 0 0 "[ . 1 . 2]" 1
639 1 43 THR HB 1 45 ALA H . . 4.350 3.692 2.807 4.761 0.411 7 0 "[ . 1 . 2]" 1
640 1 45 ALA H 1 46 GLU H . . 3.450 2.754 2.405 2.956 . 0 0 "[ . 1 . 2]" 1
641 1 82 ILE HB 1 83 ASP H . . 3.550 3.462 2.862 3.734 0.184 16 0 "[ . 1 . 2]" 1
642 1 83 ASP H 1 84 VAL H . . 3.240 2.913 2.720 3.045 . 0 0 "[ . 1 . 2]" 1
643 1 23 ILE HB 1 24 PHE H . . 3.520 3.366 2.969 3.581 0.061 8 0 "[ . 1 . 2]" 1
644 1 50 LEU HA 1 52 LEU H . . 4.480 4.601 4.475 4.790 0.310 7 0 "[ . 1 . 2]" 1
645 1 52 LEU H 1 53 LEU H . . 3.330 2.726 2.615 2.812 . 0 0 "[ . 1 . 2]" 1
646 1 51 SER H 1 52 LEU H . . 3.420 2.984 2.792 3.222 . 0 0 "[ . 1 . 2]" 1
647 1 26 VAL HA 1 27 ASP H . . 3.050 2.129 2.081 2.174 . 0 0 "[ . 1 . 2]" 1
648 1 60 VAL HA 1 61 PHE H . . 3.110 2.061 2.019 2.138 . 0 0 "[ . 1 . 2]" 1
649 1 28 LYS QB 1 29 ASP H . . 5.300 3.099 2.889 3.812 . 0 0 "[ . 1 . 2]" 1
650 1 28 LYS H 1 29 ASP H . . 3.170 2.605 2.522 2.786 . 0 0 "[ . 1 . 2]" 1
651 1 71 GLU H 1 72 SER H . . 3.890 2.909 2.753 3.330 . 0 0 "[ . 1 . 2]" 1
652 1 70 SER H 1 71 GLU H . . 4.200 2.382 2.015 2.670 . 0 0 "[ . 1 . 2]" 1
653 1 67 ALA HA 1 71 GLU H . . 4.350 2.831 2.512 3.065 . 0 0 "[ . 1 . 2]" 1
654 1 105 SER QB 1 106 VAL H . . 5.310 3.206 2.927 3.727 . 0 0 "[ . 1 . 2]" 1
655 1 106 VAL H 1 111 TYR HA . . 3.920 2.674 2.420 2.870 . 0 0 "[ . 1 . 2]" 1
656 1 106 VAL H 1 110 GLY H . . 4.010 3.743 3.508 3.899 . 0 0 "[ . 1 . 2]" 1
657 1 49 ILE H 1 50 LEU H . . 3.520 2.822 2.734 2.935 . 0 0 "[ . 1 . 2]" 1
658 1 27 ASP H 1 32 GLU H . . 3.830 3.152 2.976 3.355 . 0 0 "[ . 1 . 2]" 1
659 1 111 TYR HB3 1 112 LYS H . . 4.350 3.421 2.911 4.019 . 0 0 "[ . 1 . 2]" 1
660 1 111 TYR HB2 1 112 LYS H . . 4.350 3.987 3.133 4.230 . 0 0 "[ . 1 . 2]" 1
661 1 111 TYR HA 1 112 LYS H . . 3.210 2.075 2.001 2.273 . 0 0 "[ . 1 . 2]" 1
662 1 56 LYS H 1 57 LYS H . . 3.610 2.496 2.388 2.776 . 0 0 "[ . 1 . 2]" 1
663 1 104 ILE HB 1 105 SER H . . 4.320 4.136 3.927 4.373 0.053 18 0 "[ . 1 . 2]" 1
664 1 35 MET H 1 39 LYS HA . . 4.200 3.239 2.640 3.738 . 0 0 "[ . 1 . 2]" 1
665 1 34 TYR HB2 1 35 MET H . . 4.600 4.261 3.926 4.534 . 0 0 "[ . 1 . 2]" 1
666 1 34 TYR HB3 1 35 MET H . . 4.600 3.404 3.036 3.736 . 0 0 "[ . 1 . 2]" 1
667 1 84 VAL HB 1 85 ILE H . . 3.580 2.755 2.475 3.549 . 0 0 "[ . 1 . 2]" 1
668 1 42 LEU QB 1 43 THR H . . 5.270 2.175 1.740 2.824 . 0 0 "[ . 1 . 2]" 1
669 1 69 GLU HB3 1 70 SER H . . 4.200 3.371 2.549 3.753 . 0 0 "[ . 1 . 2]" 1
670 1 69 GLU HB2 1 70 SER H . . 4.200 3.532 2.971 3.985 . 0 0 "[ . 1 . 2]" 1
671 1 70 SER H 1 71 GLU HA . . 4.510 4.400 4.185 4.592 0.082 12 0 "[ . 1 . 2]" 1
672 1 69 GLU H 1 70 SER H . . 3.270 2.698 2.555 2.842 . 0 0 "[ . 1 . 2]" 1
673 1 68 ILE H 1 70 SER H . . 4.170 4.319 4.150 4.503 0.333 6 0 "[ . 1 . 2]" 1
674 1 53 LEU H 1 54 ILE H . . 3.210 2.842 2.741 2.954 . 0 0 "[ . 1 . 2]" 1
675 1 46 GLU HB3 1 47 TYR H . . 4.110 3.375 2.398 3.642 . 0 0 "[ . 1 . 2]" 1
676 1 46 GLU HB2 1 47 TYR H . . 4.110 2.661 2.321 3.737 . 0 0 "[ . 1 . 2]" 1
677 1 44 ARG HA 1 47 TYR H . . 4.040 3.729 3.573 4.028 . 0 0 "[ . 1 . 2]" 1
678 1 46 GLU H 1 47 TYR H . . 3.270 2.586 2.469 2.720 . 0 0 "[ . 1 . 2]" 1
679 1 61 PHE HA 1 62 SER H . . 2.990 2.213 2.137 2.318 . 0 0 "[ . 1 . 2]" 1
680 1 61 PHE QB 1 62 SER H . . 5.520 3.899 3.318 4.041 . 0 0 "[ . 1 . 2]" 1
681 1 50 LEU HA 1 53 LEU H . . 4.110 3.261 3.057 3.862 . 0 0 "[ . 1 . 2]" 1
682 1 45 ALA HA 1 48 GLU H . . 4.040 3.378 3.083 3.832 . 0 0 "[ . 1 . 2]" 1
683 1 48 GLU H 1 49 ILE H . . 3.640 2.976 2.806 3.061 . 0 0 "[ . 1 . 2]" 1
684 1 48 GLU HB3 1 49 ILE H . . 4.040 2.844 2.505 3.817 . 0 0 "[ . 1 . 2]" 1
685 1 48 GLU HB2 1 49 ILE H . . 4.040 3.435 2.548 3.818 . 0 0 "[ . 1 . 2]" 1
686 1 109 ILE H 1 110 GLY H . . 2.900 2.226 2.118 2.448 . 0 0 "[ . 1 . 2]" 1
687 1 89 LEU HB3 1 90 ARG H . . 4.170 2.519 2.332 3.346 . 0 0 "[ . 1 . 2]" 1
688 1 89 LEU HB2 1 90 ARG H . . 4.170 3.586 2.728 3.750 . 0 0 "[ . 1 . 2]" 1
689 1 90 ARG H 1 92 LYS H . . 4.790 4.507 4.373 4.576 . 0 0 "[ . 1 . 2]" 1
690 1 88 ARG H 1 90 ARG H . . 4.570 4.231 4.069 4.392 . 0 0 "[ . 1 . 2]" 1
691 1 90 ARG H 1 91 SER H . . 3.360 2.945 2.851 3.032 . 0 0 "[ . 1 . 2]" 1
692 1 50 LEU QB 1 51 SER H . . 5.060 2.681 2.223 2.889 . 0 0 "[ . 1 . 2]" 1
693 1 49 ILE H 1 51 SER H . . 4.320 4.396 4.260 4.535 0.215 14 0 "[ . 1 . 2]" 1
694 1 50 LEU H 1 51 SER H . . 3.330 2.771 2.668 2.915 . 0 0 "[ . 1 . 2]" 1
695 1 54 ILE HB 1 55 SER H . . 3.480 2.808 2.662 2.967 . 0 0 "[ . 1 . 2]" 1
696 1 51 SER HA 1 55 SER H . . 3.920 4.040 3.836 4.140 0.220 8 0 "[ . 1 . 2]" 1
697 1 55 SER H 1 56 LYS H . . 3.300 2.895 2.810 3.053 . 0 0 "[ . 1 . 2]" 1
698 1 54 ILE H 1 55 SER H . . 3.210 2.806 2.643 3.030 . 0 0 "[ . 1 . 2]" 1
699 1 76 GLU HB3 1 77 SER H . . 4.540 4.029 2.483 4.391 . 0 0 "[ . 1 . 2]" 1
700 1 76 GLU HB2 1 77 SER H . . 4.540 3.948 3.065 4.325 . 0 0 "[ . 1 . 2]" 1
701 1 57 LYS HB3 1 58 GLY H . . 4.380 3.410 2.240 4.025 . 0 0 "[ . 1 . 2]" 1
702 1 57 LYS HB2 1 58 GLY H . . 4.380 3.115 2.397 3.967 . 0 0 "[ . 1 . 2]" 1
703 1 59 TYR H 1 60 VAL H . . 4.170 4.625 4.554 4.680 0.510 15 1 "[ . 1 + 2]" 1
704 1 59 TYR HB2 1 60 VAL H . . 4.200 3.603 3.421 3.740 . 0 0 "[ . 1 . 2]" 1
705 1 59 TYR HB3 1 60 VAL H . . 4.200 2.898 2.432 3.247 . 0 0 "[ . 1 . 2]" 1
706 1 63 ARG QB 1 64 GLU H . . 4.930 3.200 2.242 3.627 . 0 0 "[ . 1 . 2]" 1
707 1 62 SER HB2 1 64 GLU H . . 4.110 3.838 3.216 4.337 0.227 7 0 "[ . 1 . 2]" 1
708 1 62 SER HB3 1 64 GLU H . . 4.110 3.186 2.704 3.602 . 0 0 "[ . 1 . 2]" 1
709 1 64 GLU H 1 65 SER H . . 3.390 2.845 2.667 3.094 . 0 0 "[ . 1 . 2]" 1
710 1 63 ARG H 1 64 GLU H . . 3.610 3.253 3.066 3.548 . 0 0 "[ . 1 . 2]" 1
711 1 71 GLU QB 1 72 SER H . . 5.860 3.725 3.311 3.975 . 0 0 "[ . 1 . 2]" 1
712 1 86 ILE H 1 87 GLY H . . 3.480 2.752 2.621 2.965 . 0 0 "[ . 1 . 2]" 1
713 1 84 VAL HA 1 87 GLY H . . 3.950 3.916 3.648 4.186 0.236 15 0 "[ . 1 . 2]" 1
714 1 86 ILE HB 1 87 GLY H . . 3.730 2.752 2.498 3.098 . 0 0 "[ . 1 . 2]" 1
715 1 86 ILE HA 1 88 ARG H . . 4.630 4.681 4.341 4.898 0.268 18 0 "[ . 1 . 2]" 1
716 1 85 ILE HA 1 88 ARG H . . 3.830 3.862 3.519 3.987 0.157 20 0 "[ . 1 . 2]" 1
717 1 87 GLY H 1 88 ARG H . . 3.390 2.844 2.694 3.074 . 0 0 "[ . 1 . 2]" 1
718 1 91 SER H 1 92 LYS H . . 3.240 3.033 2.875 3.131 . 0 0 "[ . 1 . 2]" 1
719 1 90 ARG HB3 1 91 SER H . . 3.950 3.090 2.344 3.551 . 0 0 "[ . 1 . 2]" 1
720 1 90 ARG HB2 1 91 SER H . . 3.950 3.057 2.600 3.693 . 0 0 "[ . 1 . 2]" 1
721 1 89 LEU HA 1 92 LYS H . . 4.230 3.450 3.088 3.723 . 0 0 "[ . 1 . 2]" 1
722 1 92 LYS H 1 93 ILE H . . 3.240 2.935 2.871 3.047 . 0 0 "[ . 1 . 2]" 1
723 1 92 LYS H 1 94 GLU H . . 4.200 4.221 4.102 4.357 0.157 17 0 "[ . 1 . 2]" 1
724 1 93 ILE H 1 94 GLU H . . 3.170 2.674 2.583 2.768 . 0 0 "[ . 1 . 2]" 1
725 1 92 LYS HB2 1 93 ILE H . . 4.110 2.877 2.621 3.168 . 0 0 "[ . 1 . 2]" 1
726 1 92 LYS HB3 1 93 ILE H . . 4.110 3.530 3.212 3.796 . 0 0 "[ . 1 . 2]" 1
727 1 94 GLU HB3 1 95 LYS H . . 3.830 2.684 2.500 3.496 . 0 0 "[ . 1 . 2]" 1
728 1 94 GLU HB2 1 95 LYS H . . 3.830 3.870 2.762 4.014 0.184 15 0 "[ . 1 . 2]" 1
729 1 95 LYS H 1 96 ASN H . . 3.300 2.724 2.609 2.834 . 0 0 "[ . 1 . 2]" 1
730 1 100 PRO QB 1 103 ILE H . . 5.370 3.369 2.685 3.985 . 0 0 "[ . 1 . 2]" 1
731 1 102 TYR QB 1 103 ILE H . . 4.710 3.544 2.536 3.932 . 0 0 "[ . 1 . 2]" 1
732 1 103 ILE HA 1 104 ILE H . . 3.270 2.154 2.095 2.221 . 0 0 "[ . 1 . 2]" 1
733 1 109 ILE HB 1 110 GLY H . . 3.420 2.620 2.290 2.829 . 0 0 "[ . 1 . 2]" 1
734 1 61 PHE H 1 62 SER H . . 4.630 4.278 3.885 4.474 . 0 0 "[ . 1 . 2]" 1
735 1 18 PRO HA 1 19 GLY H . . 3.240 2.400 2.311 2.553 . 0 0 "[ . 1 . 2]" 1
736 1 24 PHE HB3 1 25 ARG H . . 4.110 3.714 3.541 3.789 . 0 0 "[ . 1 . 2]" 1
737 1 24 PHE HB2 1 25 ARG H . . 4.110 2.383 2.184 2.826 . 0 0 "[ . 1 . 2]" 1
738 1 33 VAL H 1 34 TYR H . . 4.630 4.281 4.152 4.423 . 0 0 "[ . 1 . 2]" 1
739 1 25 ARG H 1 34 TYR H . . 3.610 2.765 2.672 3.061 . 0 0 "[ . 1 . 2]" 1
740 1 44 ARG H 1 45 ALA H . . 3.700 3.065 2.763 3.265 . 0 0 "[ . 1 . 2]" 1
741 1 44 ARG HA 1 48 GLU H . . 4.480 4.028 3.732 4.278 . 0 0 "[ . 1 . 2]" 1
742 1 47 TYR HA 1 49 ILE H . . 4.760 4.537 4.454 4.595 . 0 0 "[ . 1 . 2]" 1
743 1 46 GLU HA 1 50 LEU H . . 4.450 4.030 3.761 4.175 . 0 0 "[ . 1 . 2]" 1
744 1 51 SER QB 1 52 LEU H . . 6.270 2.847 2.323 3.483 . 0 0 "[ . 1 . 2]" 1
745 1 54 ILE H 1 56 LYS H . . 4.290 4.436 4.317 4.531 0.241 4 0 "[ . 1 . 2]" 1
746 1 53 LEU QB 1 55 SER H . . 6.270 4.691 4.574 4.798 . 0 0 "[ . 1 . 2]" 1
747 1 25 ARG HA 1 26 VAL H . . 2.830 2.279 2.162 2.430 . 0 0 "[ . 1 . 2]" 1
748 1 33 VAL H 1 40 LEU H . . 4.970 3.519 3.404 3.779 . 0 0 "[ . 1 . 2]" 1
749 1 33 VAL HA 1 34 TYR H . . 3.210 2.137 2.041 2.194 . 0 0 "[ . 1 . 2]" 1
750 1 34 TYR HA 1 35 MET H . . 3.080 2.201 2.139 2.284 . 0 0 "[ . 1 . 2]" 1
751 1 22 ASN QB 1 23 ILE H . . 6.020 2.048 1.960 2.259 . 0 0 "[ . 1 . 2]" 1
752 1 25 ARG H 1 35 MET HA . . 4.140 4.030 3.842 4.366 0.226 18 0 "[ . 1 . 2]" 1
753 1 25 ARG QB 1 26 VAL H . . 5.460 3.171 2.484 3.818 . 0 0 "[ . 1 . 2]" 1
754 1 19 GLY H 1 26 VAL H . . 4.880 3.465 3.200 3.679 . 0 0 "[ . 1 . 2]" 1
755 1 21 ALA H 1 24 PHE H . . 4.540 3.824 3.554 4.069 . 0 0 "[ . 1 . 2]" 1
756 1 37 GLU H 1 38 LYS H . . 3.450 2.484 2.368 2.662 . 0 0 "[ . 1 . 2]" 1
757 1 104 ILE H 1 112 LYS H . . 4.010 3.320 3.000 3.529 . 0 0 "[ . 1 . 2]" 1
758 1 105 SER HA 1 112 LYS H . . 4.480 3.662 3.381 3.956 . 0 0 "[ . 1 . 2]" 1
759 1 46 GLU H 1 48 GLU H . . 4.600 4.196 3.994 4.345 . 0 0 "[ . 1 . 2]" 1
760 1 45 ALA HA 1 49 ILE H . . 4.790 4.284 4.060 4.469 . 0 0 "[ . 1 . 2]" 1
761 1 46 GLU H 1 49 ILE H . . 4.820 4.809 4.620 4.892 0.072 12 0 "[ . 1 . 2]" 1
762 1 44 ARG HA 1 46 GLU H . . 4.940 4.713 4.489 4.942 0.002 19 0 "[ . 1 . 2]" 1
763 1 45 ALA H 1 47 TYR H . . 4.230 4.102 3.808 4.254 0.024 13 0 "[ . 1 . 2]" 1
764 1 47 TYR H 1 49 ILE H . . 5.000 4.341 4.205 4.465 . 0 0 "[ . 1 . 2]" 1
765 1 46 GLU HA 1 48 GLU H . . 4.600 4.558 4.326 4.796 0.196 15 0 "[ . 1 . 2]" 1
766 1 48 GLU H 1 51 SER H . . 4.690 4.920 4.806 5.007 0.317 11 0 "[ . 1 . 2]" 1
767 1 48 GLU H 1 50 LEU H . . 4.540 4.551 4.460 4.770 0.230 11 0 "[ . 1 . 2]" 1
768 1 49 ILE HA 1 53 LEU H . . 3.860 3.921 3.641 4.072 0.212 6 0 "[ . 1 . 2]" 1
769 1 54 ILE HA 1 56 LYS H . . 4.600 4.559 4.465 4.621 0.021 19 0 "[ . 1 . 2]" 1
770 1 54 ILE HA 1 57 LYS H . . 4.910 3.682 3.454 3.937 . 0 0 "[ . 1 . 2]" 1
771 1 53 LEU HA 1 56 LYS H . . 4.230 3.550 2.964 3.872 . 0 0 "[ . 1 . 2]" 1
772 1 55 SER QB 1 56 LYS H . . 5.520 2.734 2.464 3.652 . 0 0 "[ . 1 . 2]" 1
773 1 52 LEU HA 1 55 SER H . . 3.730 3.349 2.891 3.853 0.123 19 0 "[ . 1 . 2]" 1
774 1 49 ILE HA 1 52 LEU H . . 3.790 3.566 2.940 3.731 . 0 0 "[ . 1 . 2]" 1
775 1 48 GLU HA 1 51 SER H . . 4.040 3.987 3.801 4.164 0.124 3 0 "[ . 1 . 2]" 1
776 1 47 TYR HA 1 50 LEU H . . 3.790 3.572 3.388 3.796 0.006 11 0 "[ . 1 . 2]" 1
777 1 68 ILE H 1 69 GLU H . . 3.170 2.606 2.428 2.809 . 0 0 "[ . 1 . 2]" 1
778 1 64 GLU HA 1 68 ILE H . . 4.660 4.261 4.141 4.400 . 0 0 "[ . 1 . 2]" 1
779 1 66 ILE HA 1 69 GLU H . . 4.910 3.341 2.958 3.508 . 0 0 "[ . 1 . 2]" 1
780 1 83 ASP H 1 85 ILE H . . 4.170 4.138 4.019 4.249 0.079 12 0 "[ . 1 . 2]" 1
781 1 84 VAL H 1 85 ILE H . . 3.240 2.713 2.486 2.861 . 0 0 "[ . 1 . 2]" 1
782 1 82 ILE HA 1 84 VAL H . . 4.450 4.493 4.125 4.690 0.240 14 0 "[ . 1 . 2]" 1
783 1 84 VAL H 1 86 ILE H . . 4.350 4.614 4.413 4.678 0.328 15 0 "[ . 1 . 2]" 1
784 1 87 GLY H 1 89 LEU H . . 4.380 4.252 4.029 4.532 0.152 16 0 "[ . 1 . 2]" 1
785 1 86 ILE H 1 88 ARG H . . 4.420 4.432 4.191 4.651 0.231 14 0 "[ . 1 . 2]" 1
786 1 87 GLY QA 1 89 LEU H . . 6.020 4.297 4.161 4.479 . 0 0 "[ . 1 . 2]" 1
787 1 88 ARG HA 1 90 ARG H . . 4.290 4.457 4.324 4.580 0.290 16 0 "[ . 1 . 2]" 1
788 1 86 ILE HA 1 90 ARG H . . 4.790 3.677 3.459 3.972 . 0 0 "[ . 1 . 2]" 1
789 1 89 LEU H 1 91 SER H . . 4.380 4.173 4.063 4.299 . 0 0 "[ . 1 . 2]" 1
790 1 91 SER H 1 93 ILE H . . 4.260 4.454 4.314 4.520 0.260 16 0 "[ . 1 . 2]" 1
791 1 87 GLY QA 1 91 SER H . . 5.430 3.929 3.792 4.046 . 0 0 "[ . 1 . 2]" 1
792 1 92 LYS H 1 92 LYS HB3 . . 3.480 3.564 3.471 3.624 0.144 4 0 "[ . 1 . 2]" 1
793 1 89 LEU HA 1 93 ILE H . . 5.130 4.045 3.852 4.189 . 0 0 "[ . 1 . 2]" 1
794 1 90 ARG HA 1 93 ILE H . . 4.230 3.516 3.007 3.739 . 0 0 "[ . 1 . 2]" 1
795 1 94 GLU H 1 94 GLU HB3 . . 3.700 2.523 2.430 3.570 . 0 0 "[ . 1 . 2]" 1
796 1 94 GLU H 1 94 GLU HB2 . . 3.700 2.586 2.290 2.690 . 0 0 "[ . 1 . 2]" 1
797 1 90 ARG HA 1 94 GLU H . . 4.010 4.027 3.724 4.185 0.175 9 0 "[ . 1 . 2]" 1
798 1 42 LEU H 1 43 THR H . . 5.070 3.867 3.061 4.558 . 0 0 "[ . 1 . 2]" 1
799 1 43 THR H 1 46 GLU H . . 4.170 3.586 3.144 3.952 . 0 0 "[ . 1 . 2]" 1
800 1 16 SER QB 1 17 GLU H . . 5.520 3.497 2.465 4.099 . 0 0 "[ . 1 . 2]" 1
801 1 16 SER HA 1 17 GLU H . . 3.050 2.570 2.163 3.247 0.197 13 0 "[ . 1 . 2]" 1
802 1 62 SER H 1 65 SER H . . 4.540 4.164 3.929 4.396 . 0 0 "[ . 1 . 2]" 1
803 1 76 GLU H 1 77 SER H . . 3.760 2.770 2.623 2.893 . 0 0 "[ . 1 . 2]" 1
804 1 78 SER QB 1 80 LYS H . . 5.860 4.687 3.334 5.331 . 0 0 "[ . 1 . 2]" 1
805 1 61 PHE H 1 112 LYS HA . . 4.660 3.409 3.146 3.581 . 0 0 "[ . 1 . 2]" 1
806 1 80 LYS HA 1 82 ILE H . . 3.790 4.567 4.283 4.815 1.025 18 19 "[****** *****-****+**]" 1
807 1 46 GLU HA 1 49 ILE H . . 4.380 3.372 2.857 3.644 . 0 0 "[ . 1 . 2]" 1
808 1 82 ILE H 1 82 ILE HB . . 3.420 2.486 2.079 3.660 0.240 17 0 "[ . 1 . 2]" 1
809 1 62 SER HB2 1 63 ARG H . . 4.110 4.008 3.848 4.219 0.109 4 0 "[ . 1 . 2]" 1
810 1 35 MET H 1 35 MET HB3 . . 3.980 2.848 2.369 3.692 . 0 0 "[ . 1 . 2]" 1
811 1 80 LYS QB 1 83 ASP H . . 6.050 4.929 4.570 5.215 . 0 0 "[ . 1 . 2]" 1
812 1 21 ALA HA 1 22 ASN H . . 3.360 2.349 2.098 2.625 . 0 0 "[ . 1 . 2]" 1
813 1 77 SER H 1 78 SER H . . 4.480 2.537 2.335 2.812 . 0 0 "[ . 1 . 2]" 1
814 1 92 LYS HA 1 96 ASN H . . 5.070 3.794 3.598 4.044 . 0 0 "[ . 1 . 2]" 1
815 1 47 TYR HB3 1 48 GLU H . . 4.140 2.880 2.578 3.254 . 0 0 "[ . 1 . 2]" 1
816 1 47 TYR HB2 1 48 GLU H . . 4.140 4.099 3.980 4.189 0.049 6 0 "[ . 1 . 2]" 1
817 1 35 MET HB3 1 36 HIS H . . 4.480 3.580 2.694 4.007 . 0 0 "[ . 1 . 2]" 1
818 1 72 SER QB 1 73 ILE H . . 5.270 3.521 2.860 4.059 . 0 0 "[ . 1 . 2]" 1
819 1 35 MET HB2 1 36 HIS H . . 4.480 4.072 3.708 4.291 . 0 0 "[ . 1 . 2]" 1
820 1 35 MET HA 1 36 HIS H . . 3.170 2.309 2.240 2.362 . 0 0 "[ . 1 . 2]" 1
821 1 60 VAL HA 1 113 LEU H . . 5.000 3.405 3.176 3.624 . 0 0 "[ . 1 . 2]" 1
822 1 75 PRO HA 1 76 GLU H . . 3.170 2.209 2.158 2.337 . 0 0 "[ . 1 . 2]" 1
823 1 113 LEU HA 1 114 GLU H . . 3.020 2.421 2.342 2.476 . 0 0 "[ . 1 . 2]" 1
824 1 38 LYS HA 1 99 GLN H . . 3.580 6.369 5.757 8.085 4.505 7 20 [******+******-******] 1
825 1 37 GLU H 1 38 LYS QB . . 6.360 4.968 3.964 5.494 . 0 0 "[ . 1 . 2]" 1
826 1 36 HIS HB3 1 37 GLU H . . 4.350 3.005 2.879 3.173 . 0 0 "[ . 1 . 2]" 1
827 1 66 ILE H 1 66 ILE HB . . 3.170 2.390 2.228 2.681 . 0 0 "[ . 1 . 2]" 1
828 1 65 SER H 1 66 ILE H . . 3.480 2.767 2.569 2.924 . 0 0 "[ . 1 . 2]" 1
829 1 79 ASN HA 1 83 ASP H . . 4.380 4.130 3.709 4.390 0.010 15 0 "[ . 1 . 2]" 1
830 1 64 GLU H 1 77 SER HA . . 4.880 5.155 4.736 5.241 0.361 14 0 "[ . 1 . 2]" 1
831 1 81 SER QB 1 85 ILE H . . 6.270 5.102 4.751 5.446 . 0 0 "[ . 1 . 2]" 1
832 1 78 SER QB 1 79 ASN H . . 6.140 3.941 3.622 4.122 . 0 0 "[ . 1 . 2]" 1
833 1 66 ILE HA 1 68 ILE H . . 5.100 4.156 3.993 4.320 . 0 0 "[ . 1 . 2]" 1
834 1 114 GLU H 1 114 GLU HB2 . . 3.700 3.648 3.127 3.956 0.256 2 0 "[ . 1 . 2]" 1
835 1 53 LEU HA 1 58 GLY H . . 5.310 6.313 6.052 6.878 1.568 17 20 [***********-****+***] 1
836 1 104 ILE H 1 113 LEU HA . . 4.420 3.850 3.675 4.066 . 0 0 "[ . 1 . 2]" 1
837 1 100 PRO HA 1 103 ILE H . . 4.690 4.374 4.084 4.454 . 0 0 "[ . 1 . 2]" 1
838 1 29 ASP HB2 1 30 SER H . . 3.480 3.276 2.301 3.741 0.261 16 0 "[ . 1 . 2]" 1
839 1 29 ASP HB3 1 30 SER H . . 3.480 2.706 2.284 3.461 . 0 0 "[ . 1 . 2]" 1
840 1 18 PRO HA 1 28 LYS H . . 3.420 2.652 2.194 3.408 . 0 0 "[ . 1 . 2]" 1
841 1 31 ARG HA 1 32 GLU H . . 3.480 2.480 2.229 2.853 . 0 0 "[ . 1 . 2]" 1
842 1 59 TYR H 1 113 LEU H . . 5.000 4.040 3.790 4.350 . 0 0 "[ . 1 . 2]" 1
843 1 20 ASP HB2 1 21 ALA H . . 4.290 3.603 2.366 4.263 . 0 0 "[ . 1 . 2]" 1
844 1 20 ASP HB3 1 21 ALA H . . 4.290 3.316 2.565 4.096 . 0 0 "[ . 1 . 2]" 1
845 1 19 GLY H 1 27 ASP HA . . 3.730 3.778 3.425 3.946 0.216 19 0 "[ . 1 . 2]" 1
846 1 39 LYS H 1 39 LYS HB2 . . 3.170 2.882 2.268 3.557 0.387 5 0 "[ . 1 . 2]" 1
847 1 29 ASP H 1 31 ARG H . . 2.930 3.470 3.092 3.771 0.841 16 12 "[* ** *** -**+* *]" 1
848 1 80 LYS HA 1 83 ASP H . . 3.420 3.187 2.678 3.576 0.156 14 0 "[ . 1 . 2]" 1
849 1 88 ARG HA 1 91 SER H . . 3.050 2.920 2.708 3.228 0.178 1 0 "[ . 1 . 2]" 1
850 1 88 ARG HA 1 92 LYS H . . 3.920 3.723 3.560 3.958 0.038 16 0 "[ . 1 . 2]" 1
851 1 79 ASN HA 1 81 SER H . . 4.420 4.173 3.826 4.522 0.102 1 0 "[ . 1 . 2]" 1
852 1 80 LYS H 1 81 SER H . . 2.460 2.581 2.365 2.669 0.209 15 0 "[ . 1 . 2]" 1
853 1 84 VAL HA 1 88 ARG H . . 3.830 3.618 3.343 3.864 0.034 3 0 "[ . 1 . 2]" 1
854 1 86 ILE HA 1 89 LEU H . . 4.070 3.688 3.045 4.114 0.044 16 0 "[ . 1 . 2]" 1
855 1 60 VAL H 1 61 PHE H . . 4.450 4.250 4.086 4.351 . 0 0 "[ . 1 . 2]" 1
856 1 21 ALA H 1 25 ARG HA . . 2.990 2.889 2.568 3.183 0.193 14 0 "[ . 1 . 2]" 1
857 1 92 LYS HA 1 95 LYS H . . 4.970 3.558 3.383 3.809 . 0 0 "[ . 1 . 2]" 1
858 1 20 ASP H 1 20 ASP HB2 . . 3.670 3.083 2.551 4.001 0.331 14 0 "[ . 1 . 2]" 1
859 1 20 ASP H 1 20 ASP HB3 . . 3.670 3.367 2.313 3.904 0.234 9 0 "[ . 1 . 2]" 1
860 1 58 GLY H 1 59 TYR H . . 3.830 3.405 3.215 3.685 . 0 0 "[ . 1 . 2]" 1
861 1 35 MET H 1 38 LYS H . . 3.300 3.363 3.253 3.452 0.152 20 0 "[ . 1 . 2]" 1
862 1 27 ASP H 1 33 VAL HA . . 3.730 3.251 2.996 3.545 . 0 0 "[ . 1 . 2]" 1
863 1 70 SER HA 1 71 GLU H . . 3.080 3.578 3.539 3.614 0.534 10 10 "[ *-*. *+ **** * 2]" 1
864 1 27 ASP H 1 27 ASP HB2 . . 3.700 2.857 2.368 3.068 . 0 0 "[ . 1 . 2]" 1
865 1 27 ASP H 1 27 ASP HB3 . . 3.700 2.791 2.505 3.637 . 0 0 "[ . 1 . 2]" 1
866 1 23 ILE HA 1 36 HIS H . . 3.920 4.068 3.796 4.199 0.279 20 0 "[ . 1 . 2]" 1
867 1 52 LEU H 1 52 LEU HB3 . . 3.270 2.875 2.589 3.128 . 0 0 "[ . 1 . 2]" 1
868 1 100 PRO HA 1 102 TYR H . . 4.040 3.938 3.870 3.988 . 0 0 "[ . 1 . 2]" 1
869 1 103 ILE HA 1 114 GLU H . . 4.320 4.669 4.587 4.746 0.426 7 0 "[ . 1 . 2]" 1
870 1 40 LEU H 1 40 LEU HG . . 5.500 3.274 2.430 3.723 . 0 0 "[ . 1 . 2]" 1
871 1 49 ILE H 1 49 ILE HG12 . . 4.630 2.323 1.943 3.386 . 0 0 "[ . 1 . 2]" 1
872 1 49 ILE H 1 49 ILE HG13 . . 4.630 2.498 1.862 3.739 . 0 0 "[ . 1 . 2]" 1
873 1 50 LEU H 1 50 LEU HG . . 4.110 4.077 2.813 4.458 0.348 10 0 "[ . 1 . 2]" 1
874 1 52 LEU H 1 52 LEU HG . . 5.100 4.448 3.893 4.627 . 0 0 "[ . 1 . 2]" 1
875 1 53 LEU H 1 53 LEU HG . . 4.420 4.505 4.424 4.571 0.151 6 0 "[ . 1 . 2]" 1
876 1 54 ILE H 1 54 ILE HG12 . . 4.570 2.985 2.122 3.688 . 0 0 "[ . 1 . 2]" 1
877 1 85 ILE H 1 85 ILE HG12 . . 4.070 3.022 2.563 3.702 . 0 0 "[ . 1 . 2]" 1
878 1 85 ILE H 1 85 ILE HG13 . . 4.070 3.431 2.140 4.046 . 0 0 "[ . 1 . 2]" 1
879 1 86 ILE H 1 86 ILE HG12 . . 4.660 2.847 2.210 3.718 . 0 0 "[ . 1 . 2]" 1
880 1 86 ILE H 1 86 ILE HG13 . . 4.660 3.133 2.217 3.772 . 0 0 "[ . 1 . 2]" 1
881 1 89 LEU H 1 89 LEU HG . . 4.010 4.199 3.021 4.310 0.300 9 0 "[ . 1 . 2]" 1
882 1 93 ILE H 1 93 ILE HG12 . . 5.070 3.580 2.341 3.990 . 0 0 "[ . 1 . 2]" 1
883 1 93 ILE H 1 93 ILE HG13 . . 5.070 2.617 2.260 4.003 . 0 0 "[ . 1 . 2]" 1
884 1 98 LYS H 1 98 LYS QE . . 6.390 5.205 4.382 5.920 . 0 0 "[ . 1 . 2]" 1
885 1 103 ILE H 1 103 ILE HG12 . . 4.790 4.312 2.489 4.736 . 0 0 "[ . 1 . 2]" 1
886 1 104 ILE H 1 104 ILE HG12 . . 5.190 3.823 2.657 4.961 . 0 0 "[ . 1 . 2]" 1
887 1 104 ILE H 1 104 ILE HG13 . . 5.190 3.421 2.631 4.672 . 0 0 "[ . 1 . 2]" 1
888 1 109 ILE H 1 109 ILE HG12 . . 4.660 3.736 2.273 4.111 . 0 0 "[ . 1 . 2]" 1
889 1 109 ILE H 1 109 ILE HG13 . . 4.660 3.080 2.499 4.165 . 0 0 "[ . 1 . 2]" 1
890 1 113 LEU H 1 113 LEU HG . . 5.220 4.478 3.177 4.895 . 0 0 "[ . 1 . 2]" 1
891 1 101 GLN QG 1 102 TYR H . . 6.390 2.322 2.165 2.464 . 0 0 "[ . 1 . 2]" 1
892 1 31 ARG QG 1 32 GLU H . . 6.390 4.228 3.725 4.639 . 0 0 "[ . 1 . 2]" 1
893 1 48 GLU QG 1 70 SER H . . 6.390 5.900 5.087 6.529 0.139 17 0 "[ . 1 . 2]" 1
894 1 50 LEU HG 1 51 SER H . . 5.100 4.875 4.523 5.244 0.144 11 0 "[ . 1 . 2]" 1
895 1 56 LYS QG 1 58 GLY H . . 6.390 5.322 4.943 5.689 . 0 0 "[ . 1 . 2]" 1
896 1 103 ILE H 1 103 ILE HG13 . . 4.790 4.159 2.714 4.736 . 0 0 "[ . 1 . 2]" 1
897 1 54 ILE H 1 54 ILE HG13 . . 4.570 2.864 2.081 3.801 . 0 0 "[ . 1 . 2]" 1
898 1 53 LEU H 1 56 LYS QG . . 6.390 4.541 4.110 5.001 . 0 0 "[ . 1 . 2]" 1
899 1 25 ARG QB 1 34 TYR H . . 6.390 3.357 2.897 3.738 . 0 0 "[ . 1 . 2]" 1
900 1 46 GLU QG 1 47 TYR H . . 6.390 4.344 3.529 4.527 . 0 0 "[ . 1 . 2]" 1
901 1 53 LEU HG 1 54 ILE H . . 4.880 3.966 3.748 4.125 . 0 0 "[ . 1 . 2]" 1
902 1 39 LYS H 1 39 LYS QE . . 6.390 4.632 3.496 6.011 . 0 0 "[ . 1 . 2]" 1
903 1 56 LYS H 1 56 LYS QE . . 6.390 4.464 3.566 4.716 . 0 0 "[ . 1 . 2]" 1
904 1 63 ARG QG 1 64 GLU H . . 6.390 2.927 2.185 4.678 . 0 0 "[ . 1 . 2]" 1
905 1 66 ILE HG12 1 67 ALA H . . 5.340 4.422 4.172 4.567 . 0 0 "[ . 1 . 2]" 1
906 1 66 ILE HG13 1 67 ALA H . . 5.340 4.705 4.427 4.989 . 0 0 "[ . 1 . 2]" 1
907 1 80 LYS QG 1 83 ASP H . . 6.390 5.204 4.572 5.693 . 0 0 "[ . 1 . 2]" 1
908 1 93 ILE HG13 1 94 GLU H . . 5.500 3.404 2.582 3.911 . 0 0 "[ . 1 . 2]" 1
909 1 93 ILE HG12 1 94 GLU H . . 5.500 4.512 2.770 4.955 . 0 0 "[ . 1 . 2]" 1
910 1 64 GLU QG 1 65 SER H . . 6.390 3.804 1.881 4.509 . 0 0 "[ . 1 . 2]" 1
911 1 43 THR H 1 46 GLU QG . . 6.390 3.719 3.325 4.232 . 0 0 "[ . 1 . 2]" 1
912 1 17 GLU H 1 18 PRO QG . . 6.400 6.238 6.084 6.314 . 0 0 "[ . 1 . 2]" 1
913 1 59 TYR HD1 1 60 VAL H . . 5.280 3.354 3.055 3.661 . 0 0 "[ . 1 . 2]" 1
914 1 48 GLU QG 1 49 ILE H . . 6.390 4.059 3.602 4.584 . 0 0 "[ . 1 . 2]" 1
915 1 33 VAL HB 1 51 SER H . . 5.500 5.319 5.078 5.519 0.019 16 0 "[ . 1 . 2]" 1
916 1 71 GLU QG 1 72 SER H . . 6.390 4.491 4.210 4.578 . 0 0 "[ . 1 . 2]" 1
917 1 98 LYS QE 1 99 GLN H . . 6.390 3.021 1.721 5.481 . 0 0 "[ . 1 . 2]" 1
918 1 102 TYR QB 1 114 GLU H . . 6.390 3.549 2.969 4.086 . 0 0 "[ . 1 . 2]" 1
919 1 73 ILE H 1 73 ILE HG12 . . 4.690 2.975 2.268 4.257 . 0 0 "[ . 1 . 2]" 1
920 1 73 ILE H 1 73 ILE HG13 . . 4.690 4.101 3.131 4.895 0.205 5 0 "[ . 1 . 2]" 1
921 1 27 ASP H 1 32 GLU HB2 . . 5.500 4.057 3.431 5.263 . 0 0 "[ . 1 . 2]" 1
922 1 27 ASP H 1 32 GLU HB3 . . 5.500 5.062 4.409 5.591 0.091 7 0 "[ . 1 . 2]" 1
923 1 104 ILE HB 1 112 LYS H . . 5.500 3.744 3.197 4.989 . 0 0 "[ . 1 . 2]" 1
924 1 102 TYR QD 1 114 GLU H . . 7.650 4.480 2.308 5.783 . 0 0 "[ . 1 . 2]" 1
925 1 111 TYR QD 1 112 LYS H . . 7.650 4.454 3.990 5.074 . 0 0 "[ . 1 . 2]" 1
926 1 27 ASP H 1 32 GLU QG . . 6.390 4.423 3.098 5.154 . 0 0 "[ . 1 . 2]" 1
927 1 42 LEU QB 1 47 TYR H . . 6.390 3.735 3.548 4.014 . 0 0 "[ . 1 . 2]" 1
928 1 38 LYS QG 1 99 GLN H . . 6.390 5.702 4.062 6.444 0.054 16 0 "[ . 1 . 2]" 1
929 1 57 LYS QG 1 115 TYR H . . 6.390 5.109 2.685 6.323 . 0 0 "[ . 1 . 2]" 1
930 1 21 ALA MB 1 22 ASN H . . 6.430 3.610 3.175 3.748 . 0 0 "[ . 1 . 2]" 1
931 1 35 MET H 1 35 MET ME . . 6.530 4.831 2.680 5.980 . 0 0 "[ . 1 . 2]" 1
932 1 43 THR H 1 43 THR MG . . 4.790 3.614 2.071 4.072 . 0 0 "[ . 1 . 2]" 1
933 1 52 LEU H 1 52 LEU MD2 . . 5.750 4.023 3.174 4.490 . 0 0 "[ . 1 . 2]" 1
934 1 52 LEU H 1 52 LEU MD1 . . 5.750 4.086 3.470 4.443 . 0 0 "[ . 1 . 2]" 1
935 1 53 LEU MD2 1 54 ILE H . . 6.530 3.713 2.663 4.134 . 0 0 "[ . 1 . 2]" 1
936 1 85 ILE H 1 85 ILE MD . . 5.690 2.656 2.160 3.798 . 0 0 "[ . 1 . 2]" 1
937 1 68 ILE MG 1 69 GLU H . . 6.060 3.355 3.257 3.477 . 0 0 "[ . 1 . 2]" 1
938 1 82 ILE MG 1 83 ASP H . . 5.810 2.903 2.060 4.195 . 0 0 "[ . 1 . 2]" 1
939 1 23 ILE MG 1 24 PHE H . . 6.030 4.028 3.721 4.299 . 0 0 "[ . 1 . 2]" 1
940 1 60 VAL MG2 1 61 PHE H . . 6.120 3.957 2.621 4.217 . 0 0 "[ . 1 . 2]" 1
941 1 60 VAL MG1 1 61 PHE H . . 6.120 3.049 2.755 4.190 . 0 0 "[ . 1 . 2]" 1
942 1 49 ILE MG 1 50 LEU H . . 5.880 4.109 3.649 4.295 . 0 0 "[ . 1 . 2]" 1
943 1 67 ALA MB 1 70 SER H . . 6.530 5.129 4.924 5.290 . 0 0 "[ . 1 . 2]" 1
944 1 46 GLU H 1 85 ILE MD . . 6.220 4.590 3.606 4.986 . 0 0 "[ . 1 . 2]" 1
945 1 45 ALA MB 1 46 GLU H . . 5.410 2.540 2.359 2.703 . 0 0 "[ . 1 . 2]" 1
946 1 45 ALA MB 1 47 TYR H . . 6.530 4.506 4.323 4.640 . 0 0 "[ . 1 . 2]" 1
947 1 45 ALA MB 1 48 GLU H . . 6.530 4.594 4.446 4.802 . 0 0 "[ . 1 . 2]" 1
948 1 67 ALA MB 1 68 ILE H . . 4.980 2.829 2.534 3.080 . 0 0 "[ . 1 . 2]" 1
949 1 86 ILE MD 1 90 ARG H . . 6.530 5.611 4.425 6.643 0.113 13 0 "[ . 1 . 2]" 1
950 1 50 LEU MD2 1 51 SER H . . 6.530 3.977 3.335 4.718 . 0 0 "[ . 1 . 2]" 1
951 1 50 LEU MD1 1 51 SER H . . 6.530 4.756 3.794 5.033 . 0 0 "[ . 1 . 2]" 1
952 1 86 ILE MG 1 87 GLY H . . 5.970 3.353 3.086 3.734 . 0 0 "[ . 1 . 2]" 1
953 1 85 ILE MG 1 87 GLY H . . 6.530 5.119 4.868 5.361 . 0 0 "[ . 1 . 2]" 1
954 1 84 VAL MG2 1 87 GLY H . . 6.530 5.482 5.098 5.679 . 0 0 "[ . 1 . 2]" 1
955 1 84 VAL MG1 1 87 GLY H . . 6.530 5.155 4.987 5.447 . 0 0 "[ . 1 . 2]" 1
956 1 85 ILE MG 1 88 ARG H . . 6.530 5.179 4.983 5.273 . 0 0 "[ . 1 . 2]" 1
957 1 103 ILE MD 1 104 ILE H . . 6.430 4.611 3.976 5.349 . 0 0 "[ . 1 . 2]" 1
958 1 109 ILE H 1 109 ILE MD . . 5.070 3.777 2.322 4.252 . 0 0 "[ . 1 . 2]" 1
959 1 103 ILE H 1 103 ILE MD . . 5.230 4.129 2.210 4.931 . 0 0 "[ . 1 . 2]" 1
960 1 86 ILE H 1 86 ILE MD . . 5.720 3.502 3.193 3.815 . 0 0 "[ . 1 . 2]" 1
961 1 86 ILE MD 1 87 GLY H . . 5.970 4.745 4.346 4.922 . 0 0 "[ . 1 . 2]" 1
962 1 86 ILE MG 1 90 ARG H . . 6.530 4.019 3.710 4.280 . 0 0 "[ . 1 . 2]" 1
963 1 68 ILE H 1 68 ILE MD . . 5.470 3.632 3.520 3.828 . 0 0 "[ . 1 . 2]" 1
964 1 54 ILE H 1 54 ILE MD . . 4.950 3.299 2.801 3.547 . 0 0 "[ . 1 . 2]" 1
965 1 103 ILE MG 1 104 ILE H . . 6.430 3.464 2.488 4.342 . 0 0 "[ . 1 . 2]" 1
966 1 15 VAL QG 1 16 SER H . . 7.590 3.007 2.194 3.439 . 0 0 "[ . 1 . 2]" 1
967 1 45 ALA MB 1 49 ILE H . . 6.530 4.757 4.620 4.907 . 0 0 "[ . 1 . 2]" 1
968 1 49 ILE MD 1 50 LEU H . . 5.880 3.870 2.240 4.497 . 0 0 "[ . 1 . 2]" 1
969 1 66 ILE MG 1 69 GLU H . . 6.530 4.743 4.229 4.976 . 0 0 "[ . 1 . 2]" 1
970 1 67 ALA MB 1 69 GLU H . . 6.530 4.797 4.625 4.965 . 0 0 "[ . 1 . 2]" 1
971 1 89 LEU H 1 89 LEU MD2 . . 5.440 4.304 3.946 4.378 . 0 0 "[ . 1 . 2]" 1
972 1 89 LEU H 1 89 LEU MD1 . . 5.440 4.025 2.585 4.181 . 0 0 "[ . 1 . 2]" 1
973 1 93 ILE MD 1 94 GLU H . . 6.530 3.083 2.637 4.716 . 0 0 "[ . 1 . 2]" 1
974 1 93 ILE MG 1 94 GLU H . . 6.530 4.183 3.782 4.322 . 0 0 "[ . 1 . 2]" 1
975 1 68 ILE MD 1 69 GLU H . . 6.060 4.842 4.703 5.003 . 0 0 "[ . 1 . 2]" 1
976 1 66 ILE MG 1 67 ALA H . . 5.100 3.053 2.682 3.470 . 0 0 "[ . 1 . 2]" 1
977 1 20 ASP H 1 21 ALA MB . . 6.530 4.560 4.206 4.986 . 0 0 "[ . 1 . 2]" 1
978 1 46 GLU H 1 85 ILE MG . . 6.060 5.587 5.317 5.976 . 0 0 "[ . 1 . 2]" 1
979 1 47 TYR H 1 85 ILE MG . . 5.940 6.170 5.885 6.382 0.442 17 0 "[ . 1 . 2]" 1
980 1 43 THR MG 1 44 ARG H . . 6.430 2.487 1.735 4.039 . 0 0 "[ . 1 . 2]" 1
981 1 66 ILE H 1 66 ILE MD . . 5.690 3.719 3.155 3.979 . 0 0 "[ . 1 . 2]" 1
982 1 23 ILE MG 1 36 HIS H . . 6.530 2.835 2.449 3.190 . 0 0 "[ . 1 . 2]" 1
983 1 102 TYR H 1 103 ILE MD . . 6.530 5.474 2.899 6.543 0.013 11 0 "[ . 1 . 2]" 1
984 1 113 LEU MD2 1 114 GLU H . . 6.530 2.638 1.676 4.644 . 0 0 "[ . 1 . 2]" 1
985 1 63 ARG H 1 109 ILE MG . . 6.530 4.344 2.944 6.459 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 179
_Distance_constraint_stats_list.Viol_count 226
_Distance_constraint_stats_list.Viol_total 625.994
_Distance_constraint_stats_list.Viol_max 1.402
_Distance_constraint_stats_list.Viol_rms 0.0535
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.1385
_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 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.109 0.107 14 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.027 0.027 19 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.861 0.222 15 0 "[ . 1 . 2]"
1 32 GLU 0.155 0.058 2 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.006 0.006 3 0 "[ . 1 . 2]"
1 37 GLU 0.006 0.006 3 0 "[ . 1 . 2]"
1 38 LYS 0.166 0.051 2 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 0.155 0.058 2 0 "[ . 1 . 2]"
1 44 ARG 0.060 0.060 9 0 "[ . 1 . 2]"
1 45 ALA 0.034 0.022 5 0 "[ . 1 . 2]"
1 46 GLU 5.424 0.377 16 0 "[ . 1 . 2]"
1 47 TYR 4.297 0.284 10 0 "[ . 1 . 2]"
1 48 GLU 0.010 0.010 9 0 "[ . 1 . 2]"
1 49 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 4.825 0.377 16 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ILE 1.837 0.154 7 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LYS 0.702 0.144 17 0 "[ . 1 . 2]"
1 57 LYS 3.054 0.184 2 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 TYR 0.202 0.202 12 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 SER 0.031 0.031 11 0 "[ . 1 . 2]"
1 63 ARG 0.122 0.100 17 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 3.855 0.159 6 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 2.209 0.148 17 0 "[ . 1 . 2]"
1 69 GLU 1.614 0.159 6 0 "[ . 1 . 2]"
1 70 SER 4.274 0.284 10 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ILE 0.022 0.022 5 0 "[ . 1 . 2]"
1 75 PRO 5.199 1.402 8 5 "[ . + 1-* * *]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASN 5.199 1.402 8 5 "[ . + 1-* * *]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.150 0.089 2 0 "[ . 1 . 2]"
1 83 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.749 0.111 1 0 "[ . 1 . 2]"
1 86 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.044 0.044 13 0 "[ . 1 . 2]"
1 89 LEU 0.044 0.044 13 0 "[ . 1 . 2]"
1 90 ARG 0.180 0.054 20 0 "[ . 1 . 2]"
1 91 SER 0.786 0.101 2 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 1.945 0.136 2 0 "[ . 1 . 2]"
1 94 GLU 0.180 0.054 20 0 "[ . 1 . 2]"
1 98 LYS 6.568 0.534 7 1 "[ . + 1 . 2]"
1 99 GLN 5.409 0.534 7 1 "[ . + 1 . 2]"
1 101 GLN 0.166 0.051 2 0 "[ . 1 . 2]"
1 102 TYR 0.048 0.048 18 0 "[ . 1 . 2]"
1 103 ILE 0.048 0.048 18 0 "[ . 1 . 2]"
1 104 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLY 0.122 0.100 17 0 "[ . 1 . 2]"
1 111 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.023 0.015 7 0 "[ . 1 . 2]"
1 113 LEU 0.202 0.202 12 0 "[ . 1 . 2]"
1 114 GLU 0.383 0.104 10 0 "[ . 1 . 2]"
1 115 TYR 0.184 0.184 2 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 18 PRO QB 1 19 GLY H . . 3.990 2.536 2.266 2.689 . 0 0 "[ . 1 . 2]" 2
2 1 18 PRO QB 1 27 ASP QB . . 5.190 3.673 2.819 4.407 . 0 0 "[ . 1 . 2]" 2
3 1 20 ASP H 1 20 ASP QB . . 3.210 2.716 2.227 3.317 0.107 14 0 "[ . 1 . 2]" 2
4 1 20 ASP QB 1 25 ARG HA . . 5.350 3.592 2.385 4.145 . 0 0 "[ . 1 . 2]" 2
5 1 20 ASP QB 1 25 ARG QG . . 6.170 2.869 2.091 4.287 . 0 0 "[ . 1 . 2]" 2
6 1 21 ALA MB 1 24 PHE QB . . 6.300 4.370 4.014 5.104 . 0 0 "[ . 1 . 2]" 2
7 1 22 ASN QB 1 23 ILE QG . . 6.170 2.849 2.517 3.662 . 0 0 "[ . 1 . 2]" 2
8 1 23 ILE HA 1 36 HIS QB . . 5.350 2.958 2.517 3.256 . 0 0 "[ . 1 . 2]" 2
9 1 23 ILE HB 1 24 PHE QB . . 5.340 4.115 3.651 4.446 . 0 0 "[ . 1 . 2]" 2
10 1 24 PHE H 1 24 PHE QB . . 3.310 3.036 2.888 3.139 . 0 0 "[ . 1 . 2]" 2
11 1 24 PHE QB 1 25 ARG H . . 3.530 2.355 2.168 2.751 . 0 0 "[ . 1 . 2]" 2
12 1 24 PHE QB 1 35 MET ME . . 6.300 4.580 2.086 5.872 . 0 0 "[ . 1 . 2]" 2
13 1 24 PHE QB 1 54 ILE HB . . 5.340 3.427 2.679 4.317 . 0 0 "[ . 1 . 2]" 2
14 1 24 PHE QB 1 54 ILE QG . . 4.530 3.629 2.588 4.557 0.027 19 0 "[ . 1 . 2]" 2
15 1 26 VAL QG 1 33 VAL HA . . 6.430 3.553 3.070 3.985 . 0 0 "[ . 1 . 2]" 2
16 1 27 ASP QB 1 32 GLU QB . . 5.190 2.738 2.065 4.153 . 0 0 "[ . 1 . 2]" 2
17 1 29 ASP QB 1 30 SER H . . 3.030 2.351 2.253 2.467 . 0 0 "[ . 1 . 2]" 2
18 1 31 ARG H 1 31 ARG QB . . 3.130 3.044 2.870 3.352 0.222 15 0 "[ . 1 . 2]" 2
19 1 31 ARG QB 1 32 GLU H . . 4.470 4.030 3.932 4.086 . 0 0 "[ . 1 . 2]" 2
20 1 31 ARG QD 1 44 ARG QD . . 6.170 4.429 2.895 6.230 0.060 9 0 "[ . 1 . 2]" 2
21 1 32 GLU HA 1 41 ASP QB . . 5.350 3.558 2.382 4.436 . 0 0 "[ . 1 . 2]" 2
22 1 32 GLU QB 1 33 VAL H . . 3.850 2.444 2.230 2.656 . 0 0 "[ . 1 . 2]" 2
23 1 32 GLU QB 1 42 LEU H . . 5.350 4.844 3.466 5.408 0.058 2 0 "[ . 1 . 2]" 2
24 1 33 VAL H 1 40 LEU QD . . 6.400 4.636 3.339 5.176 . 0 0 "[ . 1 . 2]" 2
25 1 33 VAL HB 1 47 TYR QB . . 5.340 3.740 2.821 5.337 . 0 0 "[ . 1 . 2]" 2
26 1 33 VAL QG 1 34 TYR H . . 4.900 2.799 2.324 3.511 . 0 0 "[ . 1 . 2]" 2
27 1 33 VAL QG 1 47 TYR HA . . 6.430 2.343 2.140 2.573 . 0 0 "[ . 1 . 2]" 2
28 1 33 VAL QG 1 47 TYR QB . . 5.730 2.638 2.129 2.987 . 0 0 "[ . 1 . 2]" 2
29 1 33 VAL QG 1 47 TYR HD1 . . 6.430 2.178 1.925 2.560 . 0 0 "[ . 1 . 2]" 2
30 1 33 VAL QG 1 47 TYR HD2 . . 6.430 4.757 3.921 5.146 . 0 0 "[ . 1 . 2]" 2
31 1 33 VAL QG 1 50 LEU QB . . 7.270 2.683 2.308 2.958 . 0 0 "[ . 1 . 2]" 2
32 1 33 VAL QG 1 51 SER QB . . 7.280 2.921 2.122 3.919 . 0 0 "[ . 1 . 2]" 2
33 1 34 TYR H 1 34 TYR QB . . 3.510 2.471 2.264 2.671 . 0 0 "[ . 1 . 2]" 2
34 1 34 TYR HA 1 39 LYS QB . . 5.350 3.983 3.077 4.609 . 0 0 "[ . 1 . 2]" 2
35 1 34 TYR QB 1 35 MET H . . 3.820 3.273 2.960 3.535 . 0 0 "[ . 1 . 2]" 2
36 1 35 MET H 1 35 MET QB . . 3.390 2.340 2.211 2.604 . 0 0 "[ . 1 . 2]" 2
37 1 35 MET QB 1 36 HIS H . . 3.780 3.333 2.633 3.627 . 0 0 "[ . 1 . 2]" 2
38 1 36 HIS H 1 36 HIS QB . . 3.690 2.161 2.142 2.190 . 0 0 "[ . 1 . 2]" 2
39 1 36 HIS QB 1 37 GLU QB . . 4.760 4.543 4.021 4.766 0.006 3 0 "[ . 1 . 2]" 2
40 1 37 GLU H 1 37 GLU QB . . 3.600 2.478 2.266 3.028 . 0 0 "[ . 1 . 2]" 2
41 1 37 GLU QB 1 98 LYS QE . . 6.170 5.010 3.824 6.064 . 0 0 "[ . 1 . 2]" 2
42 1 37 GLU QB 1 101 GLN QG . . 6.170 3.971 3.456 4.528 . 0 0 "[ . 1 . 2]" 2
43 1 38 LYS QE 1 101 GLN QB . . 6.170 5.495 3.777 6.221 0.051 2 0 "[ . 1 . 2]" 2
44 1 40 LEU QD 1 50 LEU QD . . 7.250 1.869 1.740 2.285 . 0 0 "[ . 1 . 2]" 2
45 1 40 LEU QD 1 89 LEU HA . . 6.430 4.015 3.229 4.844 . 0 0 "[ . 1 . 2]" 2
46 1 41 ASP H 1 89 LEU QD . . 6.340 4.744 2.815 5.407 . 0 0 "[ . 1 . 2]" 2
47 1 42 LEU QB 1 46 GLU QB . . 6.170 2.071 1.915 2.237 . 0 0 "[ . 1 . 2]" 2
48 1 42 LEU HG 1 84 VAL QG . . 6.430 4.218 4.070 4.390 . 0 0 "[ . 1 . 2]" 2
49 1 42 LEU QD 1 84 VAL QG . . 7.250 3.457 2.689 3.976 . 0 0 "[ . 1 . 2]" 2
50 1 45 ALA HA 1 47 TYR QB . . 5.340 5.048 4.834 5.353 0.013 17 0 "[ . 1 . 2]" 2
51 1 45 ALA MB 1 48 GLU QB . . 6.300 3.956 3.709 4.448 . 0 0 "[ . 1 . 2]" 2
52 1 45 ALA MB 1 73 ILE QG . . 6.300 4.934 3.221 6.322 0.022 5 0 "[ . 1 . 2]" 2
53 1 46 GLU H 1 46 GLU QB . . 3.240 2.235 2.044 2.387 . 0 0 "[ . 1 . 2]" 2
54 1 46 GLU H 1 85 ILE QG . . 5.350 5.167 4.445 5.461 0.111 1 0 "[ . 1 . 2]" 2
55 1 46 GLU QB 1 47 TYR H . . 3.520 2.517 2.282 2.687 . 0 0 "[ . 1 . 2]" 2
56 1 46 GLU QB 1 50 LEU H . . 4.470 4.711 4.481 4.847 0.377 16 0 "[ . 1 . 2]" 2
57 1 46 GLU QB 1 85 ILE MG . . 6.300 3.260 3.001 3.652 . 0 0 "[ . 1 . 2]" 2
58 1 47 TYR H 1 70 SER QB . . 5.350 5.564 5.454 5.634 0.284 10 0 "[ . 1 . 2]" 2
59 1 47 TYR QB 1 48 GLU H . . 3.490 2.824 2.548 3.147 . 0 0 "[ . 1 . 2]" 2
60 1 47 TYR QB 1 48 GLU QG . . 6.170 5.583 3.835 6.180 0.010 9 0 "[ . 1 . 2]" 2
61 1 48 GLU H 1 48 GLU QB . . 3.230 2.285 2.080 2.916 . 0 0 "[ . 1 . 2]" 2
62 1 48 GLU QB 1 70 SER H . . 5.350 5.136 4.729 5.273 . 0 0 "[ . 1 . 2]" 2
63 1 49 ILE H 1 49 ILE QG . . 4.010 1.965 1.807 2.614 . 0 0 "[ . 1 . 2]" 2
64 1 49 ILE H 1 70 SER QB . . 5.350 3.401 2.710 3.747 . 0 0 "[ . 1 . 2]" 2
65 1 49 ILE MG 1 69 GLU QB . . 6.300 2.017 1.866 2.969 . 0 0 "[ . 1 . 2]" 2
66 1 49 ILE MG 1 70 SER QB . . 6.300 2.633 1.919 4.189 . 0 0 "[ . 1 . 2]" 2
67 1 49 ILE MG 1 85 ILE QG . . 6.300 5.006 4.082 6.129 . 0 0 "[ . 1 . 2]" 2
68 1 49 ILE QG 1 50 LEU H . . 4.300 2.635 1.993 3.811 . 0 0 "[ . 1 . 2]" 2
69 1 50 LEU HG 1 53 LEU QD . . 6.430 3.458 2.535 4.529 . 0 0 "[ . 1 . 2]" 2
70 1 50 LEU QD 1 53 LEU QB . . 7.270 3.356 2.368 4.653 . 0 0 "[ . 1 . 2]" 2
71 1 50 LEU QD 1 54 ILE QG . . 6.200 2.750 2.016 4.255 . 0 0 "[ . 1 . 2]" 2
72 1 50 LEU QD 1 54 ILE MD . . 7.410 2.618 1.997 4.746 . 0 0 "[ . 1 . 2]" 2
73 1 50 LEU QD 1 89 LEU HG . . 6.430 3.961 3.749 4.738 . 0 0 "[ . 1 . 2]" 2
74 1 52 LEU H 1 52 LEU QD . . 5.040 3.528 3.093 3.730 . 0 0 "[ . 1 . 2]" 2
75 1 52 LEU QB 1 53 LEU H . . 3.680 2.751 2.526 2.981 . 0 0 "[ . 1 . 2]" 2
76 1 52 LEU QB 1 53 LEU QD . . 5.730 4.656 4.404 5.179 . 0 0 "[ . 1 . 2]" 2
77 1 52 LEU QD 1 53 LEU H . . 6.190 4.024 3.621 4.380 . 0 0 "[ . 1 . 2]" 2
78 1 52 LEU QD 1 53 LEU HA . . 6.430 4.170 3.420 5.008 . 0 0 "[ . 1 . 2]" 2
79 1 52 LEU QD 1 55 SER H . . 6.430 4.424 4.057 5.240 . 0 0 "[ . 1 . 2]" 2
80 1 52 LEU QD 1 56 LYS QE . . 7.270 3.201 2.445 4.180 . 0 0 "[ . 1 . 2]" 2
81 1 52 LEU QD 1 69 GLU QG . . 7.270 2.327 1.905 3.199 . 0 0 "[ . 1 . 2]" 2
82 1 53 LEU QD 1 54 ILE H . . 5.420 3.548 2.644 3.863 . 0 0 "[ . 1 . 2]" 2
83 1 53 LEU QD 1 54 ILE HA . . 6.430 4.069 2.531 4.545 . 0 0 "[ . 1 . 2]" 2
84 1 53 LEU QD 1 54 ILE HB . . 6.430 5.159 4.090 5.487 . 0 0 "[ . 1 . 2]" 2
85 1 53 LEU QD 1 55 SER H . . 6.430 5.288 4.550 5.556 . 0 0 "[ . 1 . 2]" 2
86 1 53 LEU QD 1 61 PHE QB . . 7.270 2.495 2.081 3.414 . 0 0 "[ . 1 . 2]" 2
87 1 53 LEU QD 1 61 PHE QD . . 6.430 2.263 2.076 2.532 . 0 0 "[ . 1 . 2]" 2
88 1 54 ILE HA 1 57 LYS QB . . 5.350 5.440 5.380 5.504 0.154 7 0 "[ . 1 . 2]" 2
89 1 56 LYS QE 1 57 LYS QB . . 6.170 6.153 5.705 6.314 0.144 17 0 "[ . 1 . 2]" 2
90 1 57 LYS QB 1 58 GLY H . . 3.820 2.633 2.216 3.487 . 0 0 "[ . 1 . 2]" 2
91 1 57 LYS QB 1 114 GLU HA . . 5.350 4.896 4.482 5.454 0.104 10 0 "[ . 1 . 2]" 2
92 1 57 LYS QB 1 115 TYR H . . 5.030 4.441 3.786 5.214 0.184 2 0 "[ . 1 . 2]" 2
93 1 58 GLY QA 1 113 LEU H . . 4.560 3.836 3.708 3.993 . 0 0 "[ . 1 . 2]" 2
94 1 58 GLY QA 1 114 GLU QG . . 6.170 4.648 4.126 5.164 . 0 0 "[ . 1 . 2]" 2
95 1 59 TYR H 1 60 VAL QG . . 6.430 5.135 4.832 5.718 . 0 0 "[ . 1 . 2]" 2
96 1 59 TYR H 1 113 LEU QB . . 5.200 4.291 4.024 5.402 0.202 12 0 "[ . 1 . 2]" 2
97 1 60 VAL QG 1 61 PHE H . . 5.200 2.853 2.588 3.058 . 0 0 "[ . 1 . 2]" 2
98 1 60 VAL QG 1 61 PHE QB . . 7.270 3.893 3.616 4.112 . 0 0 "[ . 1 . 2]" 2
99 1 60 VAL QG 1 110 GLY QA . . 5.370 2.246 1.980 2.923 . 0 0 "[ . 1 . 2]" 2
100 1 60 VAL QG 1 112 LYS HA . . 6.430 2.565 2.290 2.897 . 0 0 "[ . 1 . 2]" 2
101 1 60 VAL QG 1 112 LYS QB . . 6.200 2.448 2.228 3.120 . 0 0 "[ . 1 . 2]" 2
102 1 60 VAL QG 1 112 LYS QG . . 7.270 2.609 2.236 3.894 . 0 0 "[ . 1 . 2]" 2
103 1 62 SER HA 1 110 GLY QA . . 5.350 2.460 2.108 3.158 . 0 0 "[ . 1 . 2]" 2
104 1 62 SER QB 1 63 ARG H . . 3.460 2.896 2.663 3.173 . 0 0 "[ . 1 . 2]" 2
105 1 62 SER QB 1 64 GLU QB . . 5.190 3.514 3.074 4.321 . 0 0 "[ . 1 . 2]" 2
106 1 62 SER QB 1 65 SER H . . 3.350 2.569 2.254 3.010 . 0 0 "[ . 1 . 2]" 2
107 1 62 SER QB 1 66 ILE MG . . 6.300 6.055 5.783 6.331 0.031 11 0 "[ . 1 . 2]" 2
108 1 63 ARG QB 1 82 ILE QG . . 6.170 3.305 2.177 4.596 . 0 0 "[ . 1 . 2]" 2
109 1 63 ARG QB 1 110 GLY QA . . 6.170 5.223 4.188 5.927 . 0 0 "[ . 1 . 2]" 2
110 1 63 ARG QG 1 110 GLY QA . . 6.170 5.260 3.964 6.270 0.100 17 0 "[ . 1 . 2]" 2
111 1 64 GLU H 1 64 GLU QB . . 3.090 2.260 2.161 2.453 . 0 0 "[ . 1 . 2]" 2
112 1 64 GLU QB 1 65 SER H . . 3.650 2.440 2.224 3.065 . 0 0 "[ . 1 . 2]" 2
113 1 66 ILE MG 1 69 GLU QB . . 6.300 4.656 3.497 5.241 . 0 0 "[ . 1 . 2]" 2
114 1 66 ILE QG 1 67 ALA H . . 4.500 4.047 3.936 4.157 . 0 0 "[ . 1 . 2]" 2
115 1 66 ILE QG 1 68 ILE H . . 5.350 5.460 5.404 5.498 0.148 17 0 "[ . 1 . 2]" 2
116 1 66 ILE QG 1 69 GLU H . . 5.350 5.431 5.370 5.509 0.159 6 0 "[ . 1 . 2]" 2
117 1 66 ILE MD 1 85 ILE QG . . 6.300 3.592 2.596 5.162 . 0 0 "[ . 1 . 2]" 2
118 1 67 ALA MB 1 68 ILE QG . . 6.300 3.317 2.991 3.672 . 0 0 "[ . 1 . 2]" 2
119 1 68 ILE H 1 68 ILE QG . . 3.740 2.585 2.480 2.711 . 0 0 "[ . 1 . 2]" 2
120 1 68 ILE MG 1 69 GLU QB . . 6.300 3.909 3.291 4.569 . 0 0 "[ . 1 . 2]" 2
121 1 69 GLU H 1 69 GLU QB . . 3.180 2.196 2.099 2.376 . 0 0 "[ . 1 . 2]" 2
122 1 70 SER QB 1 71 GLU H . . 4.350 3.065 2.568 3.529 . 0 0 "[ . 1 . 2]" 2
123 1 73 ILE H 1 73 ILE QG . . 4.040 2.860 2.248 4.009 . 0 0 "[ . 1 . 2]" 2
124 1 75 PRO QB 1 78 SER QB . . 6.180 4.743 2.733 5.735 . 0 0 "[ . 1 . 2]" 2
125 1 75 PRO QB 1 79 ASN H . . 5.350 4.937 3.516 6.752 1.402 8 5 "[ . + 1-* * *]" 2
126 1 76 GLU H 1 76 GLU QB . . 2.890 2.397 2.182 2.605 . 0 0 "[ . 1 . 2]" 2
127 1 76 GLU QB 1 77 SER H . . 3.990 3.486 2.451 3.878 . 0 0 "[ . 1 . 2]" 2
128 1 80 LYS HA 1 83 ASP QB . . 5.350 2.195 2.070 2.341 . 0 0 "[ . 1 . 2]" 2
129 1 80 LYS QG 1 83 ASP QB . . 6.170 3.621 2.860 4.021 . 0 0 "[ . 1 . 2]" 2
130 1 81 SER QB 1 84 VAL QG . . 7.270 4.625 3.880 4.873 . 0 0 "[ . 1 . 2]" 2
131 1 82 ILE H 1 82 ILE QG . . 4.410 3.354 2.018 4.167 . 0 0 "[ . 1 . 2]" 2
132 1 82 ILE QG 1 85 ILE QG . . 5.190 4.399 3.409 5.279 0.089 2 0 "[ . 1 . 2]" 2
133 1 82 ILE QG 1 85 ILE MD . . 6.300 4.816 2.911 6.044 . 0 0 "[ . 1 . 2]" 2
134 1 83 ASP H 1 83 ASP QB . . 3.130 2.337 2.209 2.537 . 0 0 "[ . 1 . 2]" 2
135 1 83 ASP H 1 84 VAL QG . . 6.430 4.664 4.479 4.961 . 0 0 "[ . 1 . 2]" 2
136 1 84 VAL H 1 84 VAL QG . . 4.260 2.462 2.353 2.985 . 0 0 "[ . 1 . 2]" 2
137 1 84 VAL QG 1 85 ILE H . . 5.740 3.095 2.254 3.273 . 0 0 "[ . 1 . 2]" 2
138 1 84 VAL QG 1 87 GLY QA . . 7.270 4.687 4.436 4.961 . 0 0 "[ . 1 . 2]" 2
139 1 85 ILE MG 1 86 ILE QG . . 6.300 3.366 2.703 3.748 . 0 0 "[ . 1 . 2]" 2
140 1 86 ILE H 1 86 ILE QG . . 3.850 2.299 2.190 2.515 . 0 0 "[ . 1 . 2]" 2
141 1 86 ILE MG 1 89 LEU QB . . 6.300 4.051 3.048 4.851 . 0 0 "[ . 1 . 2]" 2
142 1 88 ARG H 1 89 LEU QB . . 4.620 4.337 4.228 4.664 0.044 13 0 "[ . 1 . 2]" 2
143 1 88 ARG QB 1 89 LEU H . . 3.680 3.050 2.742 3.279 . 0 0 "[ . 1 . 2]" 2
144 1 89 LEU H 1 89 LEU QB . . 3.090 2.158 2.106 2.294 . 0 0 "[ . 1 . 2]" 2
145 1 89 LEU QB 1 90 ARG H . . 3.320 2.430 2.301 2.656 . 0 0 "[ . 1 . 2]" 2
146 1 89 LEU QD 1 91 SER H . . 6.430 5.118 4.948 5.515 . 0 0 "[ . 1 . 2]" 2
147 1 90 ARG QB 1 94 GLU QB . . 5.190 4.160 3.807 4.818 . 0 0 "[ . 1 . 2]" 2
148 1 90 ARG QD 1 94 GLU QB . . 6.170 5.255 2.497 6.224 0.054 20 0 "[ . 1 . 2]" 2
149 1 91 SER HA 1 93 ILE QG . . 5.350 5.334 5.016 5.451 0.101 2 0 "[ . 1 . 2]" 2
150 1 91 SER HA 1 94 GLU QB . . 5.350 2.611 2.370 2.859 . 0 0 "[ . 1 . 2]" 2
151 1 92 LYS QB 1 93 ILE H . . 3.570 2.747 2.530 3.016 . 0 0 "[ . 1 . 2]" 2
152 1 93 ILE H 1 93 ILE QG . . 4.420 2.385 2.240 2.977 . 0 0 "[ . 1 . 2]" 2
153 1 93 ILE QG 1 98 LYS QE . . 6.170 5.521 3.842 6.306 0.136 2 0 "[ . 1 . 2]" 2
154 1 98 LYS H 1 98 LYS QB . . 2.940 2.156 1.967 2.285 . 0 0 "[ . 1 . 2]" 2
155 1 98 LYS QB 1 99 GLN H . . 3.560 3.800 2.958 4.094 0.534 7 1 "[ . + 1 . 2]" 2
156 1 101 GLN QB 1 102 TYR H . . 4.240 3.543 3.380 3.658 . 0 0 "[ . 1 . 2]" 2
157 1 102 TYR QB 1 103 ILE QG . . 6.170 4.968 3.473 6.218 0.048 18 0 "[ . 1 . 2]" 2
158 1 103 ILE HA 1 113 LEU QD . . 6.430 3.283 2.462 4.495 . 0 0 "[ . 1 . 2]" 2
159 1 103 ILE MG 1 113 LEU QD . . 7.410 3.388 2.602 3.931 . 0 0 "[ . 1 . 2]" 2
160 1 104 ILE H 1 104 ILE QG . . 4.490 2.999 2.583 4.265 . 0 0 "[ . 1 . 2]" 2
161 1 104 ILE MG 1 112 LYS QB . . 6.300 3.336 1.972 3.715 . 0 0 "[ . 1 . 2]" 2
162 1 104 ILE QG 1 105 SER H . . 5.350 4.155 2.167 4.783 . 0 0 "[ . 1 . 2]" 2
163 1 105 SER HA 1 111 TYR QB . . 5.340 3.242 2.166 3.984 . 0 0 "[ . 1 . 2]" 2
164 1 106 VAL QG 1 107 ARG H . . 6.430 3.339 3.055 3.707 . 0 0 "[ . 1 . 2]" 2
165 1 106 VAL QG 1 110 GLY H . . 5.260 3.535 3.376 3.810 . 0 0 "[ . 1 . 2]" 2
166 1 106 VAL QG 1 111 TYR HA . . 6.430 3.083 2.524 3.748 . 0 0 "[ . 1 . 2]" 2
167 1 107 ARG HA 1 108 GLY QA . . 5.350 4.199 3.962 4.371 . 0 0 "[ . 1 . 2]" 2
168 1 108 GLY QA 1 109 ILE HA . . 5.350 4.137 4.115 4.170 . 0 0 "[ . 1 . 2]" 2
169 1 108 GLY QA 1 109 ILE MG . . 6.300 5.321 5.217 5.399 . 0 0 "[ . 1 . 2]" 2
170 1 109 ILE H 1 109 ILE QG . . 4.070 2.791 2.255 3.598 . 0 0 "[ . 1 . 2]" 2
171 1 109 ILE H 1 110 GLY QA . . 4.650 4.183 4.016 4.371 . 0 0 "[ . 1 . 2]" 2
172 1 111 TYR H 1 111 TYR QB . . 3.560 2.806 2.493 3.339 . 0 0 "[ . 1 . 2]" 2
173 1 111 TYR QB 1 112 LYS H . . 3.690 3.155 2.856 3.375 . 0 0 "[ . 1 . 2]" 2
174 1 112 LYS H 1 112 LYS QB . . 3.690 2.305 2.106 2.449 . 0 0 "[ . 1 . 2]" 2
175 1 112 LYS HA 1 113 LEU QB . . 5.350 3.995 3.809 4.571 . 0 0 "[ . 1 . 2]" 2
176 1 112 LYS QB 1 113 LEU H . . 3.940 3.746 3.644 3.826 . 0 0 "[ . 1 . 2]" 2
177 1 112 LYS QE 1 114 GLU QB . . 6.170 4.426 2.297 6.185 0.015 7 0 "[ . 1 . 2]" 2
178 1 113 LEU H 1 113 LEU QB . . 3.530 2.594 2.437 3.286 . 0 0 "[ . 1 . 2]" 2
179 1 113 LEU QD 1 114 GLU H . . 5.710 2.005 1.675 3.676 . 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 96
_Distance_constraint_stats_list.Viol_count 577
_Distance_constraint_stats_list.Viol_total 768.014
_Distance_constraint_stats_list.Viol_max 1.065
_Distance_constraint_stats_list.Viol_rms 0.0851
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0200
_Distance_constraint_stats_list.Viol_average_violations_only 0.0666
_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 19 GLY 0.360 0.046 6 0 "[ . 1 . 2]"
1 21 ALA 2.087 0.095 13 0 "[ . 1 . 2]"
1 24 PHE 2.087 0.095 13 0 "[ . 1 . 2]"
1 25 ARG 0.489 0.083 18 0 "[ . 1 . 2]"
1 26 VAL 0.360 0.046 6 0 "[ . 1 . 2]"
1 27 ASP 0.424 0.058 3 0 "[ . 1 . 2]"
1 32 GLU 0.424 0.058 3 0 "[ . 1 . 2]"
1 33 VAL 1.132 0.111 4 0 "[ . 1 . 2]"
1 34 TYR 0.489 0.083 18 0 "[ . 1 . 2]"
1 35 MET 1.162 0.110 18 0 "[ . 1 . 2]"
1 38 LYS 1.162 0.110 18 0 "[ . 1 . 2]"
1 40 LEU 1.132 0.111 4 0 "[ . 1 . 2]"
1 43 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ARG 0.057 0.027 3 0 "[ . 1 . 2]"
1 45 ALA 2.553 0.147 17 0 "[ . 1 . 2]"
1 46 GLU 1.320 0.083 18 0 "[ . 1 . 2]"
1 47 TYR 0.044 0.032 16 0 "[ . 1 . 2]"
1 48 GLU 1.673 0.097 3 0 "[ . 1 . 2]"
1 49 ILE 2.590 0.147 17 0 "[ . 1 . 2]"
1 50 LEU 1.767 0.083 18 0 "[ . 1 . 2]"
1 51 SER 0.149 0.032 16 0 "[ . 1 . 2]"
1 52 LEU 1.620 0.097 3 0 "[ . 1 . 2]"
1 53 LEU 0.712 0.106 9 0 "[ . 1 . 2]"
1 54 ILE 0.448 0.063 15 0 "[ . 1 . 2]"
1 55 SER 0.106 0.026 3 0 "[ . 1 . 2]"
1 56 LYS 0.005 0.005 19 0 "[ . 1 . 2]"
1 57 LYS 0.674 0.106 9 0 "[ . 1 . 2]"
1 59 TYR 18.199 1.065 15 19 "[**-******** **+*****]"
1 61 PHE 1.413 0.104 5 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 0.703 0.063 2 0 "[ . 1 . 2]"
1 64 GLU 1.107 0.125 13 0 "[ . 1 . 2]"
1 65 SER 0.224 0.065 6 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.703 0.063 2 0 "[ . 1 . 2]"
1 68 ILE 1.107 0.125 13 0 "[ . 1 . 2]"
1 69 GLU 0.224 0.065 6 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.080 0.045 12 0 "[ . 1 . 2]"
1 82 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASP 1.101 0.096 15 0 "[ . 1 . 2]"
1 84 VAL 0.015 0.015 11 0 "[ . 1 . 2]"
1 85 ILE 0.126 0.045 12 0 "[ . 1 . 2]"
1 86 ILE 0.223 0.040 16 0 "[ . 1 . 2]"
1 87 GLY 1.148 0.096 15 0 "[ . 1 . 2]"
1 88 ARG 0.016 0.015 11 0 "[ . 1 . 2]"
1 89 LEU 0.157 0.034 10 0 "[ . 1 . 2]"
1 90 ARG 0.650 0.066 4 0 "[ . 1 . 2]"
1 91 SER 0.581 0.054 7 0 "[ . 1 . 2]"
1 92 LYS 0.335 0.045 14 0 "[ . 1 . 2]"
1 93 ILE 0.112 0.034 10 0 "[ . 1 . 2]"
1 94 GLU 0.427 0.066 4 0 "[ . 1 . 2]"
1 95 LYS 0.534 0.054 7 0 "[ . 1 . 2]"
1 96 ASN 0.334 0.045 14 0 "[ . 1 . 2]"
1 104 ILE 0.005 0.005 16 0 "[ . 1 . 2]"
1 106 VAL 1.319 0.095 16 0 "[ . 1 . 2]"
1 110 GLY 1.319 0.095 16 0 "[ . 1 . 2]"
1 111 TYR 1.413 0.104 5 0 "[ . 1 . 2]"
1 112 LYS 0.005 0.005 16 0 "[ . 1 . 2]"
1 113 LEU 18.199 1.065 15 19 "[**-******** **+*****]"
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 43 THR O 1 47 TYR H . . 2.000 1.868 1.771 1.951 . 0 0 "[ . 1 . 2]" 3
2 1 43 THR O 1 47 TYR N . . 3.000 2.861 2.770 2.968 . 0 0 "[ . 1 . 2]" 3
3 1 44 ARG O 1 48 GLU H . . 2.000 1.941 1.851 2.027 0.027 3 0 "[ . 1 . 2]" 3
4 1 44 ARG O 1 48 GLU N . . 3.000 2.920 2.841 2.994 . 0 0 "[ . 1 . 2]" 3
5 1 45 ALA O 1 49 ILE H . . 2.000 2.078 1.939 2.147 0.147 17 0 "[ . 1 . 2]" 3
6 1 45 ALA O 1 49 ILE N . . 3.000 3.040 2.916 3.121 0.121 17 0 "[ . 1 . 2]" 3
7 1 46 GLU O 1 50 LEU H . . 2.000 2.000 1.794 2.083 0.083 15 0 "[ . 1 . 2]" 3
8 1 46 GLU O 1 50 LEU N . . 3.000 3.009 2.814 3.083 0.083 18 0 "[ . 1 . 2]" 3
9 1 47 TYR O 1 51 SER H . . 2.000 1.876 1.797 2.032 0.032 16 0 "[ . 1 . 2]" 3
10 1 47 TYR O 1 51 SER N . . 3.000 2.872 2.795 3.011 0.011 16 0 "[ . 1 . 2]" 3
11 1 48 GLU O 1 52 LEU H . . 2.000 2.038 1.956 2.097 0.097 3 0 "[ . 1 . 2]" 3
12 1 48 GLU O 1 52 LEU N . . 3.000 3.034 2.951 3.097 0.097 3 0 "[ . 1 . 2]" 3
13 1 49 ILE O 1 53 LEU H . . 2.000 1.906 1.794 2.020 0.020 10 0 "[ . 1 . 2]" 3
14 1 49 ILE O 1 53 LEU N . . 3.000 2.836 2.748 2.969 . 0 0 "[ . 1 . 2]" 3
15 1 50 LEU O 1 54 ILE H . . 2.000 1.942 1.765 2.058 0.058 15 0 "[ . 1 . 2]" 3
16 1 50 LEU O 1 54 ILE N . . 3.000 2.947 2.779 3.063 0.063 15 0 "[ . 1 . 2]" 3
17 1 51 SER O 1 55 SER H . . 2.000 1.979 1.886 2.026 0.026 3 0 "[ . 1 . 2]" 3
18 1 51 SER O 1 55 SER N . . 3.000 2.961 2.890 3.020 0.020 3 0 "[ . 1 . 2]" 3
19 1 52 LEU O 1 56 LYS H . . 2.000 1.891 1.807 2.005 0.005 19 0 "[ . 1 . 2]" 3
20 1 52 LEU O 1 56 LYS N . . 3.000 2.860 2.776 2.963 . 0 0 "[ . 1 . 2]" 3
21 1 53 LEU O 1 57 LYS H . . 2.000 2.019 1.851 2.106 0.106 9 0 "[ . 1 . 2]" 3
22 1 53 LEU O 1 57 LYS N . . 3.000 2.886 2.819 2.959 . 0 0 "[ . 1 . 2]" 3
23 1 62 SER O 1 66 ILE H . . 2.000 1.794 1.759 1.969 . 0 0 "[ . 1 . 2]" 3
24 1 62 SER O 1 66 ILE N . . 3.000 2.811 2.774 2.981 . 0 0 "[ . 1 . 2]" 3
25 1 63 ARG O 1 67 ALA H . . 2.000 2.023 1.873 2.063 0.063 2 0 "[ . 1 . 2]" 3
26 1 63 ARG O 1 67 ALA N . . 3.000 2.970 2.833 3.023 0.023 13 0 "[ . 1 . 2]" 3
27 1 64 GLU O 1 68 ILE H . . 2.000 2.053 1.962 2.125 0.125 13 0 "[ . 1 . 2]" 3
28 1 64 GLU O 1 68 ILE N . . 3.000 2.897 2.817 2.957 . 0 0 "[ . 1 . 2]" 3
29 1 65 SER O 1 69 GLU H . . 2.000 1.940 1.789 2.065 0.065 6 0 "[ . 1 . 2]" 3
30 1 65 SER O 1 69 GLU N . . 3.000 2.895 2.714 3.024 0.024 19 0 "[ . 1 . 2]" 3
31 1 66 ILE O 1 70 SER H . . 2.000 1.817 1.758 1.885 . 0 0 "[ . 1 . 2]" 3
32 1 66 ILE O 1 70 SER N . . 3.000 2.823 2.755 2.891 . 0 0 "[ . 1 . 2]" 3
33 1 81 SER O 1 85 ILE H . . 2.000 1.838 1.758 2.035 0.035 12 0 "[ . 1 . 2]" 3
34 1 81 SER O 1 85 ILE N . . 3.000 2.836 2.749 3.045 0.045 12 0 "[ . 1 . 2]" 3
35 1 82 ILE O 1 86 ILE H . . 2.000 1.807 1.753 1.857 . 0 0 "[ . 1 . 2]" 3
36 1 82 ILE O 1 86 ILE N . . 3.000 2.817 2.749 2.864 . 0 0 "[ . 1 . 2]" 3
37 1 83 ASP O 1 87 GLY H . . 2.000 2.050 2.005 2.096 0.096 15 0 "[ . 1 . 2]" 3
38 1 83 ASP O 1 87 GLY N . . 3.000 2.962 2.893 3.066 0.066 16 0 "[ . 1 . 2]" 3
39 1 84 VAL O 1 88 ARG H . . 2.000 1.916 1.849 2.015 0.015 11 0 "[ . 1 . 2]" 3
40 1 84 VAL O 1 88 ARG N . . 3.000 2.886 2.806 2.958 . 0 0 "[ . 1 . 2]" 3
41 1 85 ILE O 1 89 LEU H . . 2.000 1.890 1.814 2.030 0.030 9 0 "[ . 1 . 2]" 3
42 1 85 ILE O 1 89 LEU N . . 3.000 2.863 2.800 3.003 0.003 9 0 "[ . 1 . 2]" 3
43 1 86 ILE O 1 90 ARG H . . 2.000 1.943 1.842 2.040 0.040 16 0 "[ . 1 . 2]" 3
44 1 86 ILE O 1 90 ARG N . . 3.000 2.938 2.839 3.030 0.030 10 0 "[ . 1 . 2]" 3
45 1 87 GLY O 1 91 SER H . . 2.000 1.953 1.839 2.009 0.009 20 0 "[ . 1 . 2]" 3
46 1 87 GLY O 1 91 SER N . . 3.000 2.923 2.840 3.006 0.006 6 0 "[ . 1 . 2]" 3
47 1 88 ARG O 1 92 LYS H . . 2.000 1.907 1.809 1.997 . 0 0 "[ . 1 . 2]" 3
48 1 88 ARG O 1 92 LYS N . . 3.000 2.914 2.829 3.001 0.001 5 0 "[ . 1 . 2]" 3
49 1 89 LEU O 1 93 ILE H . . 2.000 1.939 1.851 2.034 0.034 10 0 "[ . 1 . 2]" 3
50 1 89 LEU O 1 93 ILE N . . 3.000 2.943 2.832 3.031 0.031 16 0 "[ . 1 . 2]" 3
51 1 90 ARG O 1 94 GLU H . . 2.000 2.005 1.862 2.066 0.066 4 0 "[ . 1 . 2]" 3
52 1 90 ARG O 1 94 GLU N . . 3.000 2.843 2.798 2.906 . 0 0 "[ . 1 . 2]" 3
53 1 91 SER O 1 95 LYS H . . 2.000 2.004 1.919 2.054 0.054 7 0 "[ . 1 . 2]" 3
54 1 91 SER O 1 95 LYS N . . 3.000 2.992 2.906 3.051 0.051 13 0 "[ . 1 . 2]" 3
55 1 92 LYS O 1 96 ASN H . . 2.000 1.987 1.831 2.045 0.045 14 0 "[ . 1 . 2]" 3
56 1 92 LYS O 1 96 ASN N . . 3.000 2.970 2.827 3.019 0.019 6 0 "[ . 1 . 2]" 3
57 1 19 GLY H 1 26 VAL O . . 2.000 2.003 1.940 2.046 0.046 12 0 "[ . 1 . 2]" 3
58 1 19 GLY N 1 26 VAL O . . 3.000 2.982 2.880 3.046 0.046 6 0 "[ . 1 . 2]" 3
59 1 19 GLY O 1 26 VAL H . . 2.000 1.793 1.766 1.831 . 0 0 "[ . 1 . 2]" 3
60 1 19 GLY O 1 26 VAL N . . 3.000 2.781 2.742 2.828 . 0 0 "[ . 1 . 2]" 3
61 1 21 ALA O 1 24 PHE H . . 2.000 2.051 2.026 2.095 0.095 13 0 "[ . 1 . 2]" 3
62 1 21 ALA O 1 24 PHE N . . 3.000 3.050 3.018 3.092 0.092 13 0 "[ . 1 . 2]" 3
63 1 21 ALA H 1 24 PHE O . . 2.000 1.952 1.877 2.020 0.020 9 0 "[ . 1 . 2]" 3
64 1 21 ALA N 1 24 PHE O . . 3.000 2.887 2.827 3.002 0.002 14 0 "[ . 1 . 2]" 3
65 1 25 ARG H 1 34 TYR O . . 2.000 2.005 1.867 2.083 0.083 18 0 "[ . 1 . 2]" 3
66 1 25 ARG N 1 34 TYR O . . 3.000 2.903 2.835 3.034 0.034 18 0 "[ . 1 . 2]" 3
67 1 25 ARG O 1 34 TYR H . . 2.000 1.853 1.772 1.956 . 0 0 "[ . 1 . 2]" 3
68 1 25 ARG O 1 34 TYR N . . 3.000 2.857 2.778 2.941 . 0 0 "[ . 1 . 2]" 3
69 1 27 ASP O 1 32 GLU H . . 2.000 2.006 1.907 2.058 0.058 3 0 "[ . 1 . 2]" 3
70 1 27 ASP O 1 32 GLU N . . 3.000 2.971 2.883 3.026 0.026 3 0 "[ . 1 . 2]" 3
71 1 27 ASP H 1 32 GLU O . . 2.000 1.938 1.825 2.008 0.008 9 0 "[ . 1 . 2]" 3
72 1 27 ASP N 1 32 GLU O . . 3.000 2.942 2.837 3.018 0.018 5 0 "[ . 1 . 2]" 3
73 1 33 VAL H 1 40 LEU O . . 2.000 1.825 1.778 1.902 . 0 0 "[ . 1 . 2]" 3
74 1 33 VAL N 1 40 LEU O . . 3.000 2.831 2.773 2.907 . 0 0 "[ . 1 . 2]" 3
75 1 33 VAL O 1 40 LEU H . . 2.000 2.050 1.940 2.111 0.111 4 0 "[ . 1 . 2]" 3
76 1 33 VAL O 1 40 LEU N . . 3.000 2.924 2.853 3.031 0.031 9 0 "[ . 1 . 2]" 3
77 1 35 MET H 1 38 LYS O . . 2.000 1.924 1.814 2.033 0.033 7 0 "[ . 1 . 2]" 3
78 1 35 MET N 1 38 LYS O . . 3.000 2.878 2.820 2.958 . 0 0 "[ . 1 . 2]" 3
79 1 35 MET O 1 38 LYS H . . 2.000 2.056 2.005 2.110 0.110 18 0 "[ . 1 . 2]" 3
80 1 35 MET O 1 38 LYS N . . 3.000 2.961 2.902 3.008 0.008 18 0 "[ . 1 . 2]" 3
81 1 104 ILE H 1 112 LYS O . . 2.000 1.862 1.803 1.996 . 0 0 "[ . 1 . 2]" 3
82 1 104 ILE N 1 112 LYS O . . 3.000 2.869 2.813 3.005 0.005 16 0 "[ . 1 . 2]" 3
83 1 104 ILE O 1 112 LYS H . . 2.000 1.869 1.790 1.991 . 0 0 "[ . 1 . 2]" 3
84 1 104 ILE O 1 112 LYS N . . 3.000 2.781 2.753 2.837 . 0 0 "[ . 1 . 2]" 3
85 1 106 VAL H 1 110 GLY O . . 2.000 1.901 1.793 2.043 0.043 18 0 "[ . 1 . 2]" 3
86 1 106 VAL N 1 110 GLY O . . 3.000 2.813 2.738 2.935 . 0 0 "[ . 1 . 2]" 3
87 1 106 VAL O 1 110 GLY H . . 2.000 2.029 1.946 2.088 0.088 16 0 "[ . 1 . 2]" 3
88 1 106 VAL O 1 110 GLY N . . 3.000 3.023 2.952 3.095 0.095 16 0 "[ . 1 . 2]" 3
89 1 59 TYR O 1 113 LEU H . . 2.000 1.930 1.891 2.001 0.001 11 0 "[ . 1 . 2]" 3
90 1 59 TYR O 1 113 LEU N . . 3.000 2.932 2.886 3.003 0.003 11 0 "[ . 1 . 2]" 3
91 1 59 TYR H 1 113 LEU O . . 2.000 2.794 2.443 3.065 1.065 15 19 "[**-******** **+*****]" 3
92 1 59 TYR N 1 113 LEU O . . 3.000 3.113 2.957 3.286 0.286 15 0 "[ . 1 . 2]" 3
93 1 61 PHE H 1 111 TYR O . . 2.000 1.861 1.798 1.986 . 0 0 "[ . 1 . 2]" 3
94 1 61 PHE N 1 111 TYR O . . 3.000 2.849 2.777 2.975 . 0 0 "[ . 1 . 2]" 3
95 1 61 PHE O 1 111 TYR H . . 2.000 2.054 2.000 2.104 0.104 5 0 "[ . 1 . 2]" 3
96 1 61 PHE O 1 111 TYR N . . 3.000 3.002 2.920 3.045 0.045 19 0 "[ . 1 . 2]" 3
stop_
save_
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