NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486319 |
2rno   |
11030 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rno
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 531
_Distance_constraint_stats_list.Viol_count 2279
_Distance_constraint_stats_list.Viol_total 43830.469
_Distance_constraint_stats_list.Viol_max 5.136
_Distance_constraint_stats_list.Viol_rms 0.6547
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2064
_Distance_constraint_stats_list.Viol_average_violations_only 0.9616
_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 7 ALA 0.808 0.277 19 0 "[ . 1 . 2]"
1 8 ASP 16.881 0.532 10 6 "[ * .* + * * - 2]"
1 9 LEU 8.548 0.379 4 0 "[ . 1 . 2]"
1 10 VAL 10.699 0.532 10 6 "[ * .* + * * - 2]"
1 11 SER 0.658 0.034 9 0 "[ . 1 . 2]"
1 12 SER 7.640 0.326 17 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 10.294 0.326 17 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 24.527 0.899 6 18 "[*****+*******-** * *]"
1 17 LEU 90.605 4.960 19 20 [**-***************+*]
1 18 ALA 75.169 3.549 18 20 [*************-***+**]
1 19 TYR 2.175 0.350 6 0 "[ . 1 . 2]"
1 20 PHE 260.301 5.063 17 20 [**-*************+***]
1 21 ARG 186.343 3.644 17 20 [**-*************+***]
1 22 ILE 90.814 3.258 18 20 [****************-+**]
1 23 LYS 63.168 1.590 3 20 [**+**********-******]
1 24 GLU 325.130 5.063 17 20 [**-*************+***]
1 25 LEU 181.947 4.960 19 20 [****************-*+*]
1 26 LYS 50.565 1.688 9 20 [********+********-**]
1 27 ASP 23.052 1.735 17 17 "[ ***********-.*+***]"
1 28 ILE 2.755 0.436 19 0 "[ . 1 . 2]"
1 29 LEU 166.817 3.645 20 20 [*************-*****+]
1 30 ASN 31.855 1.419 20 20 [*******************+]
1 31 GLN 6.440 0.998 17 1 "[ . 1 . + 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 124.803 3.645 20 20 [*******************+]
1 35 PRO 31.502 2.405 18 17 "[**-**** *1* *****+**]"
1 36 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 75.210 2.405 18 20 [**-**************+**]
1 38 GLY 16.930 0.720 2 16 "[*+-***** *** *** **]"
1 39 LYS 228.534 4.678 15 20 [**-***********+*****]
1 40 LYS 47.054 1.677 2 20 [*+**********-*******]
1 41 GLN 59.406 2.015 18 20 [************-****+**]
1 42 ASP 135.443 4.678 15 20 [**************+*-***]
1 43 LEU 25.184 1.963 15 10 "[*- *. * 1* *+* **]"
1 44 ILE 120.976 3.549 18 20 [*************-***+**]
1 45 ASP 17.671 0.503 19 1 "[ . 1 . +2]"
1 46 ARG 23.333 0.503 19 1 "[ . 1 . +2]"
1 47 VAL 0.022 0.022 15 0 "[ . 1 . 2]"
1 48 LEU 30.191 2.979 20 16 "[** -.*********.*** +]"
1 49 ALA 41.597 1.819 13 20 [*****-******+*******]
1 50 LEU 4.260 0.274 4 0 "[ . 1 . 2]"
1 51 LEU 36.135 2.979 20 16 "[** *.*******-*.*** +]"
1 52 THR 38.685 1.911 20 20 [************-******+]
1 53 ASP 19.463 0.731 12 20 [***********+*******-]
1 54 GLU 76.365 1.911 20 20 [*******************+]
1 55 GLN 9.024 0.277 20 0 "[ . 1 . 2]"
1 56 GLY 5.321 1.560 13 4 "[- . **1 + . 2]"
1 57 GLN 0.108 0.064 20 0 "[ . 1 . 2]"
1 58 ARG 12.659 1.560 13 8 "[- *.* **1 *+ . * 2]"
1 59 HIS 7.163 0.742 6 5 "[ -.+ * 1 * . * 2]"
1 60 HIS 74.133 2.982 12 20 [***********+***-****]
1 61 GLY 11.400 0.830 17 17 "[*** *****- **** +***]"
1 62 TRP 85.093 2.982 12 20 [*********-*+********]
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 2.259 0.632 17 1 "[ . 1 . + 2]"
1 66 ASN 6.175 1.651 5 4 "[ *+ 1 -. *]"
1 67 SER 29.726 3.047 17 15 "[ **** * ****-.*+***]"
1 68 LEU 51.064 3.047 17 14 "[ * **** ***-*.*+**2]"
1 69 THR 175.129 5.136 13 20 [************+*-*****]
1 70 LYS 19.981 0.606 11 15 "[******-* *+* ** **]"
1 71 GLU 41.802 1.818 5 20 [****+*-*************]
1 72 ALA 151.524 5.136 13 20 [************+-******]
1 73 VAL 6.357 1.928 13 2 "[ - 1 + . 2]"
1 74 ALA 13.726 0.508 19 2 "[ . - . +2]"
1 75 LYS 4.820 0.508 19 2 "[ . - . +2]"
1 76 ILE 10.589 0.751 18 9 "[- ** * * * +**]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASP 10.623 0.751 18 9 "[- ** * * * +**]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 MET 1.506 0.327 14 0 "[ . 1 . 2]"
1 85 GLN 8.769 0.489 14 0 "[ . 1 . 2]"
1 86 ILE 67.565 4.573 8 20 [****-**+************]
1 87 GLN 16.904 1.668 13 12 "[****.* * 1* +*.**- 2]"
1 88 CYS 1.990 0.332 7 0 "[ . 1 . 2]"
1 89 ALA 111.978 4.573 8 20 [*******+*********-**]
1 91 ASP 48.293 3.106 17 20 [*******-********+***]
1 92 LEU 46.819 2.226 12 20 [*******-***+********]
1 93 ALA 1.114 0.141 14 0 "[ . 1 . 2]"
1 94 THR 41.819 3.106 17 15 "[-***.** *** ***+ **]"
1 95 ARG 4.669 0.568 6 4 "[- .+ *1 . * 2]"
1 96 SER 2.244 0.563 17 2 "[ . -1 . + 2]"
1 97 HIS 1.031 0.285 4 0 "[ . 1 . 2]"
1 98 SER 4.070 0.335 1 0 "[ . 1 . 2]"
1 99 GLY 8.312 0.683 9 7 "[ * . *+* -* . *2]"
1 100 SER 42.347 3.711 20 20 [***********-*******+]
1 101 ASP 52.585 1.513 16 20 [*************-*+****]
1 102 PHE 60.043 3.711 20 20 [*************-*****+]
1 103 SER 56.890 2.245 16 19 [*************-*+***2]
1 104 PHE 7.761 0.623 5 1 "[ + 1 . 2]"
1 105 ARG 74.308 3.724 9 20 [********+******-****]
1 106 PRO 99.292 3.724 9 20 [***-****+***********]
1 107 ILE 0.005 0.003 2 0 "[ . 1 . 2]"
1 108 GLU 34.318 1.509 7 17 "[*** -*+* ******* ***]"
1 109 GLU 18.737 1.642 13 14 "[ *-.** ****+ .*****]"
1 110 ALA 7.370 0.640 6 12 "[ * .+* *1*-* .*****]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 ASN H 1 33 GLY H . . 5.490 4.771 4.505 4.874 . 0 0 "[ . 1 . 2]" 1
2 1 31 GLN H 1 33 GLY H . . 4.810 3.892 3.695 4.231 . 0 0 "[ . 1 . 2]" 1
3 1 30 ASN HA 1 33 GLY H . . 4.360 3.381 3.099 3.656 . 0 0 "[ . 1 . 2]" 1
4 1 49 ALA H 1 52 THR H . . 5.220 4.900 4.796 5.112 . 0 0 "[ . 1 . 2]" 1
5 1 52 THR H 1 53 ASP H . . 3.490 2.455 2.385 2.547 . 0 0 "[ . 1 . 2]" 1
6 1 48 LEU HA 1 52 THR H . . 5.050 4.288 4.072 4.449 . 0 0 "[ . 1 . 2]" 1
7 1 52 THR H 1 53 ASP HA . . 5.020 5.076 4.984 5.200 0.180 20 0 "[ . 1 . 2]" 1
8 1 51 LEU H 1 52 THR H . . 3.300 2.526 2.436 2.855 . 0 0 "[ . 1 . 2]" 1
9 1 51 LEU QD 1 52 THR H . . 5.040 3.413 3.241 3.969 . 0 0 "[ . 1 . 2]" 1
10 1 49 ALA HA 1 52 THR H . . 4.070 3.474 3.394 3.759 . 0 0 "[ . 1 . 2]" 1
11 1 55 GLN QG 1 56 GLY H . . 4.820 4.650 4.626 4.724 . 0 0 "[ . 1 . 2]" 1
12 1 55 GLN QB 1 56 GLY H . . 3.780 3.681 3.219 3.739 . 0 0 "[ . 1 . 2]" 1
13 1 55 GLN HA 1 56 GLY H . . 3.120 3.022 2.965 3.365 0.245 13 0 "[ . 1 . 2]" 1
14 1 56 GLY H 1 57 GLN H . . 3.240 2.727 2.596 2.939 . 0 0 "[ . 1 . 2]" 1
15 1 55 GLN H 1 56 GLY H . . 3.010 2.270 1.994 2.647 . 0 0 "[ . 1 . 2]" 1
16 1 38 GLY H 1 39 LYS H . . 3.930 4.434 4.311 4.635 0.705 19 10 "[* - .*** *** *. +2]" 1
17 1 60 HIS QB 1 61 GLY H . . 4.600 2.942 1.887 4.038 . 0 0 "[ . 1 . 2]" 1
18 1 98 SER H 1 99 GLY H . . 4.200 2.617 1.892 3.732 . 0 0 "[ . 1 . 2]" 1
19 1 98 SER HA 1 99 GLY H . . 3.220 3.152 2.467 3.555 0.335 1 0 "[ . 1 . 2]" 1
20 1 92 LEU QB 1 94 THR H . . 5.690 4.341 3.277 5.458 . 0 0 "[ . 1 . 2]" 1
21 1 93 ALA H 1 94 THR H . . 3.650 2.870 2.565 3.325 . 0 0 "[ . 1 . 2]" 1
22 1 91 ASP HA 1 94 THR H . . 5.500 6.986 4.147 8.606 3.106 17 15 "[****.** *** **-+ **]" 1
23 1 69 THR H 1 70 LYS HA . . 5.500 4.509 4.294 5.137 . 0 0 "[ . 1 . 2]" 1
24 1 68 LEU H 1 69 THR H . . 4.160 2.876 1.839 3.514 . 0 0 "[ . 1 . 2]" 1
25 1 69 THR H 1 70 LYS H . . 4.740 2.202 1.759 4.119 . 0 0 "[ . 1 . 2]" 1
26 1 69 THR H 1 71 GLU H . . 5.500 6.336 6.015 7.318 1.818 5 20 [****+*********-*****] 1
27 1 68 LEU HA 1 69 THR H . . 2.930 2.821 2.617 3.338 0.408 1 0 "[ . 1 . 2]" 1
28 1 69 THR H 1 72 ALA HA . . 4.980 7.971 7.334 10.116 5.136 13 20 [************+*-*****] 1
29 1 41 GLN H 1 41 GLN HG3 . . 4.260 3.979 3.094 4.438 0.178 4 0 "[ . 1 . 2]" 1
30 1 41 GLN H 1 44 ILE MD . . 5.460 3.923 3.217 4.833 . 0 0 "[ . 1 . 2]" 1
31 1 40 LYS QE 1 41 GLN H . . 5.420 5.504 4.576 6.236 0.816 5 2 "[ - + 1 . 2]" 1
32 1 41 GLN H 1 41 GLN HG2 . . 4.520 3.661 3.013 4.636 0.116 2 0 "[ . 1 . 2]" 1
33 1 40 LYS QG 1 41 GLN H . . 4.950 3.489 2.896 4.172 . 0 0 "[ . 1 . 2]" 1
34 1 41 GLN H 1 41 GLN HB2 . . 3.610 2.216 2.068 2.578 . 0 0 "[ . 1 . 2]" 1
35 1 39 LYS H 1 41 GLN H . . 5.300 6.892 6.252 7.315 2.015 18 20 [****-************+**] 1
36 1 41 GLN H 1 43 LEU H . . 4.930 4.493 4.296 4.704 . 0 0 "[ . 1 . 2]" 1
37 1 41 GLN H 1 44 ILE H . . 5.440 4.917 4.755 5.023 . 0 0 "[ . 1 . 2]" 1
38 1 27 ASP HA 1 30 ASN QD . . 4.690 2.038 1.880 2.692 . 0 0 "[ . 1 . 2]" 1
39 1 29 LEU MD1 1 30 ASN QD . . 6.160 6.340 5.166 7.224 1.064 17 5 "[ * . -*1 * . + 2]" 1
40 1 30 ASN QD 1 31 GLN HA . . 5.250 3.944 2.479 6.248 0.998 17 1 "[ . 1 . + 2]" 1
41 1 30 ASN QD 1 31 GLN H . . 4.750 3.006 2.230 4.748 . 0 0 "[ . 1 . 2]" 1
42 1 30 ASN QD 1 31 GLN HB3 . . 5.500 4.113 2.686 6.052 0.552 17 1 "[ . 1 . + 2]" 1
43 1 11 SER H 1 13 CYS H . . 4.520 3.970 3.921 4.010 . 0 0 "[ . 1 . 2]" 1
44 1 8 ASP QB 1 11 SER H . . 5.510 5.143 5.068 5.243 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA HA 1 11 SER H . . 4.630 4.038 3.779 4.182 . 0 0 "[ . 1 . 2]" 1
46 1 12 SER H 1 13 CYS H . . 3.430 2.694 2.634 2.731 . 0 0 "[ . 1 . 2]" 1
47 1 11 SER H 1 12 SER H . . 3.320 2.678 2.630 2.714 . 0 0 "[ . 1 . 2]" 1
48 1 12 SER H 1 13 CYS QB . . 4.980 4.611 4.440 4.891 . 0 0 "[ . 1 . 2]" 1
49 1 11 SER HA 1 12 SER H . . 3.530 3.563 3.561 3.564 0.034 9 0 "[ . 1 . 2]" 1
50 1 12 SER H 1 12 SER QB . . 3.780 2.347 2.236 2.436 . 0 0 "[ . 1 . 2]" 1
51 1 48 LEU H 1 50 LEU H . . 5.010 4.056 3.936 4.172 . 0 0 "[ . 1 . 2]" 1
52 1 48 LEU HA 1 50 LEU H . . 4.810 4.391 4.201 4.538 . 0 0 "[ . 1 . 2]" 1
53 1 46 ARG HA 1 50 LEU H . . 5.370 3.965 3.831 4.204 . 0 0 "[ . 1 . 2]" 1
54 1 99 GLY H 1 100 SER H . . 3.640 3.575 2.138 4.323 0.683 9 7 "[ * . *+* -* . *2]" 1
55 1 100 SER H 1 102 PHE H . . 3.260 5.114 3.950 6.971 3.711 20 20 [***********-*******+] 1
56 1 67 SER H 1 68 LEU H . . 3.500 2.653 1.778 3.499 . 0 0 "[ . 1 . 2]" 1
57 1 67 SER H 1 68 LEU HG . . 4.340 5.531 4.106 7.387 3.047 17 13 "[ * ** * -****.*+**2]" 1
58 1 17 LEU H 1 19 TYR H . . 5.360 4.074 3.935 4.197 . 0 0 "[ . 1 . 2]" 1
59 1 19 TYR H 1 19 TYR QB . . 3.660 2.388 2.066 2.682 . 0 0 "[ . 1 . 2]" 1
60 1 66 ASN H 1 67 SER H . . 3.440 2.273 1.750 3.115 . 0 0 "[ . 1 . 2]" 1
61 1 16 LYS HA 1 19 TYR H . . 4.820 3.915 3.821 4.014 . 0 0 "[ . 1 . 2]" 1
62 1 19 TYR H 1 20 PHE H . . 3.450 2.589 2.498 2.613 . 0 0 "[ . 1 . 2]" 1
63 1 16 LYS QB 1 17 LEU H . . 5.010 2.437 2.316 2.550 . 0 0 "[ . 1 . 2]" 1
64 1 17 LEU H 1 17 LEU HB2 . . 3.780 2.296 2.076 3.584 . 0 0 "[ . 1 . 2]" 1
65 1 16 LYS H 1 17 LEU H . . 3.910 2.887 2.838 2.935 . 0 0 "[ . 1 . 2]" 1
66 1 17 LEU H 1 17 LEU HB3 . . 3.800 3.317 2.446 3.598 . 0 0 "[ . 1 . 2]" 1
67 1 50 LEU H 1 51 LEU H . . 3.570 2.588 2.537 2.798 . 0 0 "[ . 1 . 2]" 1
68 1 48 LEU HA 1 51 LEU H . . 4.450 3.496 3.372 3.778 . 0 0 "[ . 1 . 2]" 1
69 1 51 LEU H 1 51 LEU QD . . 4.710 3.301 2.041 3.552 . 0 0 "[ . 1 . 2]" 1
70 1 41 GLN HG2 1 42 ASP H . . 4.940 4.826 3.944 5.340 0.400 12 0 "[ . 1 . 2]" 1
71 1 40 LYS H 1 42 ASP H . . 4.980 4.580 4.049 5.165 0.185 2 0 "[ . 1 . 2]" 1
72 1 42 ASP H 1 42 ASP QB . . 3.640 2.121 2.045 2.192 . 0 0 "[ . 1 . 2]" 1
73 1 42 ASP H 1 45 ASP H . . 5.160 4.788 4.715 4.883 . 0 0 "[ . 1 . 2]" 1
74 1 41 GLN HG3 1 42 ASP H . . 5.080 4.871 3.809 5.377 0.297 9 0 "[ . 1 . 2]" 1
75 1 42 ASP H 1 44 ILE H . . 4.500 4.157 4.090 4.232 . 0 0 "[ . 1 . 2]" 1
76 1 41 GLN H 1 42 ASP H . . 3.680 2.820 2.769 2.937 . 0 0 "[ . 1 . 2]" 1
77 1 42 ASP H 1 43 LEU H . . 3.510 2.651 2.589 2.796 . 0 0 "[ . 1 . 2]" 1
78 1 41 GLN HB3 1 42 ASP H . . 3.630 3.089 2.498 3.432 . 0 0 "[ . 1 . 2]" 1
79 1 17 LEU HB2 1 18 ALA H . . 4.160 2.781 2.255 3.723 . 0 0 "[ . 1 . 2]" 1
80 1 16 LYS H 1 18 ALA H . . 4.170 4.476 4.177 4.624 0.454 6 0 "[ . 1 . 2]" 1
81 1 17 LEU HB3 1 18 ALA H . . 3.740 2.903 2.266 3.883 0.143 19 0 "[ . 1 . 2]" 1
82 1 18 ALA H 1 19 TYR QB . . 4.820 4.862 4.490 5.170 0.350 6 0 "[ . 1 . 2]" 1
83 1 18 ALA H 1 19 TYR H . . 3.500 2.842 2.776 2.886 . 0 0 "[ . 1 . 2]" 1
84 1 16 LYS HA 1 18 ALA H . . 4.300 4.998 4.665 5.199 0.899 6 18 "[*****+*******-** * *]" 1
85 1 17 LEU H 1 18 ALA H . . 3.790 2.741 2.610 2.805 . 0 0 "[ . 1 . 2]" 1
86 1 18 ALA H 1 20 PHE H . . 4.270 4.215 4.009 4.322 0.052 6 0 "[ . 1 . 2]" 1
87 1 15 ASP HA 1 18 ALA H . . 3.990 3.708 3.478 3.846 . 0 0 "[ . 1 . 2]" 1
88 1 95 ARG H 1 96 SER H . . 3.910 2.975 1.890 3.648 . 0 0 "[ . 1 . 2]" 1
89 1 95 ARG HA 1 96 SER H . . 3.010 2.892 2.160 3.573 0.563 17 2 "[ . -1 . + 2]" 1
90 1 96 SER H 1 97 HIS H . . 4.010 2.746 1.830 3.875 . 0 0 "[ . 1 . 2]" 1
91 1 97 HIS HB3 1 98 SER H . . 4.710 3.989 1.996 4.656 . 0 0 "[ . 1 . 2]" 1
92 1 97 HIS HA 1 98 SER H . . 3.470 2.816 2.157 3.556 0.086 6 0 "[ . 1 . 2]" 1
93 1 97 HIS HB2 1 98 SER H . . 4.670 4.135 2.438 4.659 . 0 0 "[ . 1 . 2]" 1
94 1 97 HIS H 1 98 SER H . . 3.760 2.993 1.898 4.045 0.285 4 0 "[ . 1 . 2]" 1
95 1 101 ASP HB2 1 103 SER H . . 5.130 5.009 3.174 5.840 0.710 15 6 "[ * . * 1* -+ *2]" 1
96 1 30 ASN H 1 32 LEU H . . 4.990 4.361 3.967 4.486 . 0 0 "[ . 1 . 2]" 1
97 1 29 LEU HA 1 32 LEU H . . 4.440 3.599 3.322 3.809 . 0 0 "[ . 1 . 2]" 1
98 1 31 GLN HB2 1 32 LEU H . . 4.370 4.061 4.006 4.208 . 0 0 "[ . 1 . 2]" 1
99 1 31 GLN HB3 1 32 LEU H . . 4.180 2.895 2.716 3.646 . 0 0 "[ . 1 . 2]" 1
100 1 101 ASP HA 1 103 SER H . . 2.820 3.855 3.169 4.333 1.513 16 19 [**********-****+***2] 1
101 1 102 PHE HB3 1 103 SER H . . 4.000 4.121 3.857 4.427 0.427 16 0 "[ . 1 . 2]" 1
102 1 102 PHE HB2 1 103 SER H . . 4.130 3.656 3.360 4.188 0.058 17 0 "[ . 1 . 2]" 1
103 1 101 ASP HB3 1 103 SER H . . 5.360 5.017 2.352 5.836 0.476 12 0 "[ . 1 . 2]" 1
104 1 45 ASP HA 1 48 LEU H . . 4.510 3.600 3.473 3.710 . 0 0 "[ . 1 . 2]" 1
105 1 48 LEU H 1 51 LEU QB . . 5.770 4.831 4.461 5.508 . 0 0 "[ . 1 . 2]" 1
106 1 46 ARG H 1 48 LEU H . . 4.970 4.453 4.287 4.639 . 0 0 "[ . 1 . 2]" 1
107 1 48 LEU H 1 51 LEU HG . . 4.870 6.373 4.747 7.849 2.979 20 16 "[** -.*********.*** +]" 1
108 1 85 GLN H 1 87 GLN H . . 5.300 3.838 3.381 5.172 . 0 0 "[ . 1 . 2]" 1
109 1 84 MET HB2 1 85 GLN H . . 4.250 3.824 2.667 4.191 . 0 0 "[ . 1 . 2]" 1
110 1 84 MET HG2 1 85 GLN H . . 5.480 4.294 2.765 5.129 . 0 0 "[ . 1 . 2]" 1
111 1 84 MET H 1 85 GLN H . . 3.470 2.453 2.367 2.728 . 0 0 "[ . 1 . 2]" 1
112 1 80 THR H 1 82 ARG QB . . 5.980 5.068 4.738 5.357 . 0 0 "[ . 1 . 2]" 1
113 1 77 VAL HA 1 80 THR H . . 4.800 3.500 3.361 3.611 . 0 0 "[ . 1 . 2]" 1
114 1 79 ASP HB2 1 80 THR H . . 4.230 3.102 2.478 3.946 . 0 0 "[ . 1 . 2]" 1
115 1 80 THR H 1 81 TYR H . . 3.970 2.707 2.621 2.841 . 0 0 "[ . 1 . 2]" 1
116 1 79 ASP HB3 1 80 THR H . . 4.420 2.976 2.396 3.461 . 0 0 "[ . 1 . 2]" 1
117 1 22 ILE HA 1 26 LYS H . . 4.470 6.022 5.780 6.158 1.688 9 20 [********+*******-***] 1
118 1 47 VAL H 1 50 LEU QB . . 5.480 4.768 4.398 5.502 0.022 15 0 "[ . 1 . 2]" 1
119 1 26 LYS H 1 29 LEU MD1 . . 4.420 5.114 3.579 6.057 1.637 9 11 "[ ******+1 .**-*2]" 1
120 1 30 ASN H 1 30 ASN QD . . 4.560 3.112 2.134 4.202 . 0 0 "[ . 1 . 2]" 1
121 1 44 ILE H 1 47 VAL H . . 5.240 4.627 4.509 4.744 . 0 0 "[ . 1 . 2]" 1
122 1 27 ASP HA 1 30 ASN H . . 3.940 3.805 3.284 3.976 0.036 15 0 "[ . 1 . 2]" 1
123 1 30 ASN H 1 30 ASN HB3 . . 3.490 2.225 2.038 3.586 0.096 18 0 "[ . 1 . 2]" 1
124 1 30 ASN H 1 31 GLN H . . 3.420 2.675 2.567 2.852 . 0 0 "[ . 1 . 2]" 1
125 1 24 GLU QB 1 26 LYS H . . 5.010 4.835 4.723 4.934 . 0 0 "[ . 1 . 2]" 1
126 1 28 ILE HA 1 30 ASN H . . 4.970 4.911 4.438 5.157 0.187 13 0 "[ . 1 . 2]" 1
127 1 24 GLU H 1 26 LYS H . . 5.210 4.549 4.423 4.646 . 0 0 "[ . 1 . 2]" 1
128 1 47 VAL H 1 49 ALA H . . 4.600 4.375 4.283 4.480 . 0 0 "[ . 1 . 2]" 1
129 1 30 ASN H 1 30 ASN HB2 . . 3.410 3.208 2.104 3.523 0.113 6 0 "[ . 1 . 2]" 1
130 1 44 ILE HA 1 47 VAL H . . 4.570 3.451 3.356 3.532 . 0 0 "[ . 1 . 2]" 1
131 1 26 LYS H 1 27 ASP HA . . 5.300 5.301 5.205 5.480 0.180 17 0 "[ . 1 . 2]" 1
132 1 25 LEU H 1 26 LYS H . . 3.890 2.863 2.732 2.952 . 0 0 "[ . 1 . 2]" 1
133 1 47 VAL H 1 48 LEU H . . 3.590 2.677 2.597 2.824 . 0 0 "[ . 1 . 2]" 1
134 1 29 LEU MD1 1 30 ASN H . . 4.620 4.390 4.119 4.536 . 0 0 "[ . 1 . 2]" 1
135 1 43 LEU QB 1 47 VAL H . . 5.470 4.999 4.878 5.090 . 0 0 "[ . 1 . 2]" 1
136 1 23 LYS HA 1 26 LYS H . . 4.230 3.341 3.238 3.471 . 0 0 "[ . 1 . 2]" 1
137 1 12 SER QB 1 15 ASP H . . 5.660 5.117 5.035 5.231 . 0 0 "[ . 1 . 2]" 1
138 1 15 ASP H 1 15 ASP QB . . 3.240 2.210 2.191 2.228 . 0 0 "[ . 1 . 2]" 1
139 1 14 LYS HB2 1 15 ASP H . . 3.690 2.732 2.645 2.793 . 0 0 "[ . 1 . 2]" 1
140 1 71 GLU H 1 74 ALA H . . 4.850 4.999 4.929 5.057 0.207 13 0 "[ . 1 . 2]" 1
141 1 15 ASP H 1 16 LYS H . . 3.590 2.752 2.684 2.794 . 0 0 "[ . 1 . 2]" 1
142 1 14 LYS H 1 15 ASP H . . 3.420 2.716 2.685 2.795 . 0 0 "[ . 1 . 2]" 1
143 1 13 CYS QB 1 15 ASP H . . 5.340 4.680 4.526 5.037 . 0 0 "[ . 1 . 2]" 1
144 1 15 ASP H 1 17 LEU H . . 4.800 4.217 4.106 4.375 . 0 0 "[ . 1 . 2]" 1
145 1 39 LYS H 1 42 ASP H . . 4.240 7.332 6.127 8.207 3.967 15 20 [**************+*-***] 1
146 1 14 LYS HB3 1 15 ASP H . . 3.640 3.432 3.253 3.552 . 0 0 "[ . 1 . 2]" 1
147 1 39 LYS H 1 43 LEU H . . 4.890 5.641 4.214 6.853 1.963 15 10 "[*- *. * 1* *+* **]" 1
148 1 39 LYS H 1 42 ASP QB . . 3.770 7.292 6.032 8.448 4.678 15 20 [***********-**+*****] 1
149 1 37 GLN QB 1 39 LYS H . . 4.580 6.409 5.663 6.885 2.305 18 20 [*****************+-*] 1
150 1 24 GLU H 1 25 LEU H . . 3.740 2.940 2.883 2.976 . 0 0 "[ . 1 . 2]" 1
151 1 71 GLU H 1 72 ALA H . . 3.670 2.797 2.739 2.859 . 0 0 "[ . 1 . 2]" 1
152 1 21 ARG H 1 24 GLU H . . 4.280 7.728 6.746 7.924 3.644 17 20 [**-*************+***] 1
153 1 23 LYS H 1 24 GLU H . . 3.940 2.743 2.599 2.796 . 0 0 "[ . 1 . 2]" 1
154 1 22 ILE HA 1 24 GLU H . . 5.230 4.169 4.082 4.349 . 0 0 "[ . 1 . 2]" 1
155 1 20 PHE QB 1 24 GLU H . . 4.840 9.797 9.053 9.903 5.063 17 20 [**-*************+***] 1
156 1 71 GLU H 1 71 GLU HG2 . . 4.310 2.634 1.950 3.809 . 0 0 "[ . 1 . 2]" 1
157 1 70 LYS H 1 71 GLU H . . 3.900 4.419 4.366 4.491 0.591 11 15 "[******-* *+* ** **]" 1
158 1 15 ASP QB 1 16 LYS H . . 4.030 2.388 2.326 2.512 . 0 0 "[ . 1 . 2]" 1
159 1 13 CYS HA 1 16 LYS H . . 4.440 3.729 3.490 3.819 . 0 0 "[ . 1 . 2]" 1
160 1 82 ARG H 1 83 LYS H . . 3.850 2.665 2.472 2.747 . 0 0 "[ . 1 . 2]" 1
161 1 12 SER QB 1 13 CYS H . . 4.510 2.609 2.535 2.682 . 0 0 "[ . 1 . 2]" 1
162 1 13 CYS H 1 13 CYS QB . . 3.700 2.326 2.231 2.509 . 0 0 "[ . 1 . 2]" 1
163 1 21 ARG QB 1 23 LYS H . . 4.410 5.807 5.746 5.900 1.490 3 20 [**+**********-******] 1
164 1 84 MET H 1 84 MET HB3 . . 3.670 2.703 2.321 3.599 . 0 0 "[ . 1 . 2]" 1
165 1 82 ARG HA 1 84 MET H . . 4.970 4.421 4.145 4.871 . 0 0 "[ . 1 . 2]" 1
166 1 22 ILE H 1 23 LYS H . . 4.230 4.601 4.504 4.629 0.399 10 0 "[ . 1 . 2]" 1
167 1 84 MET H 1 84 MET HG2 . . 4.590 4.033 2.183 4.693 0.103 19 0 "[ . 1 . 2]" 1
168 1 36 LYS QG 1 37 GLN H . . 5.000 4.179 3.518 4.685 . 0 0 "[ . 1 . 2]" 1
169 1 40 LYS QE 1 44 ILE H . . 6.110 6.213 5.265 7.388 1.278 15 5 "[ * .* 1 -+ * 2]" 1
170 1 84 MET H 1 84 MET HB2 . . 3.820 2.683 2.154 3.618 . 0 0 "[ . 1 . 2]" 1
171 1 18 ALA HA 1 20 PHE H . . 4.730 4.495 4.302 4.629 . 0 0 "[ . 1 . 2]" 1
172 1 20 PHE H 1 21 ARG H . . 4.580 2.489 2.419 2.540 . 0 0 "[ . 1 . 2]" 1
173 1 19 TYR QB 1 20 PHE H . . 3.580 2.979 2.551 3.537 . 0 0 "[ . 1 . 2]" 1
174 1 84 MET H 1 84 MET HG3 . . 4.530 4.058 2.378 4.658 0.128 20 0 "[ . 1 . 2]" 1
175 1 10 VAL H 1 13 CYS H . . 4.810 4.621 4.600 4.652 . 0 0 "[ . 1 . 2]" 1
176 1 42 ASP HA 1 44 ILE H . . 4.970 4.591 4.386 4.756 . 0 0 "[ . 1 . 2]" 1
177 1 13 CYS H 1 15 ASP H . . 4.390 3.988 3.887 4.166 . 0 0 "[ . 1 . 2]" 1
178 1 43 LEU QB 1 44 ILE H . . 4.370 2.593 2.556 2.665 . 0 0 "[ . 1 . 2]" 1
179 1 43 LEU H 1 44 ILE H . . 3.940 2.803 2.660 2.882 . 0 0 "[ . 1 . 2]" 1
180 1 41 GLN HA 1 44 ILE H . . 4.430 3.806 3.609 3.985 . 0 0 "[ . 1 . 2]" 1
181 1 44 ILE H 1 44 ILE MD . . 4.590 3.333 2.828 3.840 . 0 0 "[ . 1 . 2]" 1
182 1 80 THR H 1 82 ARG H . . 5.420 4.218 3.987 4.451 . 0 0 "[ . 1 . 2]" 1
183 1 43 LEU QB 1 45 ASP H . . 4.540 4.868 4.803 4.955 0.415 5 0 "[ . 1 . 2]" 1
184 1 79 ASP HA 1 82 ARG H . . 4.220 3.597 3.401 3.814 . 0 0 "[ . 1 . 2]" 1
185 1 44 ILE MD 1 45 ASP H . . 4.710 3.995 3.661 4.397 . 0 0 "[ . 1 . 2]" 1
186 1 45 ASP H 1 46 ARG H . . 3.670 2.923 2.882 2.957 . 0 0 "[ . 1 . 2]" 1
187 1 44 ILE H 1 45 ASP H . . 3.820 2.831 2.773 2.900 . 0 0 "[ . 1 . 2]" 1
188 1 45 ASP H 1 47 VAL H . . 5.050 4.023 3.924 4.097 . 0 0 "[ . 1 . 2]" 1
189 1 73 VAL HA 1 75 LYS H . . 5.220 4.553 4.456 4.656 . 0 0 "[ . 1 . 2]" 1
190 1 8 ASP H 1 9 LEU HB2 . . 4.600 4.604 4.390 4.884 0.284 16 0 "[ . 1 . 2]" 1
191 1 8 ASP H 1 8 ASP QB . . 3.690 2.426 2.045 2.904 . 0 0 "[ . 1 . 2]" 1
192 1 75 LYS H 1 75 LYS QB . . 3.350 2.427 2.137 2.738 . 0 0 "[ . 1 . 2]" 1
193 1 65 LYS HA 1 66 ASN H . . 3.130 2.964 2.462 3.495 0.365 18 0 "[ . 1 . 2]" 1
194 1 8 ASP H 1 9 LEU H . . 3.130 2.594 2.499 2.778 . 0 0 "[ . 1 . 2]" 1
195 1 75 LYS H 1 78 ASP H . . 5.290 4.871 4.755 5.072 . 0 0 "[ . 1 . 2]" 1
196 1 58 ARG H 1 59 HIS H . . 3.260 2.652 1.883 3.598 0.338 9 0 "[ . 1 . 2]" 1
197 1 58 ARG HA 1 59 HIS H . . 3.250 3.206 2.517 3.554 0.304 6 0 "[ . 1 . 2]" 1
198 1 59 HIS H 1 59 HIS QB . . 3.750 2.961 2.366 3.453 . 0 0 "[ . 1 . 2]" 1
199 1 26 LYS H 1 27 ASP H . . 3.720 2.718 2.623 2.938 . 0 0 "[ . 1 . 2]" 1
200 1 27 ASP H 1 30 ASN H . . 4.920 4.825 4.673 5.026 0.106 18 0 "[ . 1 . 2]" 1
201 1 42 ASP QB 1 43 LEU H . . 4.340 2.524 2.411 2.649 . 0 0 "[ . 1 . 2]" 1
202 1 27 ASP H 1 28 ILE H . . 3.720 2.745 2.636 2.911 . 0 0 "[ . 1 . 2]" 1
203 1 24 GLU H 1 27 ASP H . . 5.010 4.672 4.585 4.816 . 0 0 "[ . 1 . 2]" 1
204 1 27 ASP H 1 29 LEU MD1 . . 4.690 5.778 4.700 6.425 1.735 17 17 "[ ***********-.*+***]" 1
205 1 21 ARG H 1 21 ARG HD2 . . 4.820 3.876 3.292 5.279 0.459 9 0 "[ . 1 . 2]" 1
206 1 40 LYS HA 1 43 LEU H . . 4.660 4.669 4.524 4.814 0.154 20 0 "[ . 1 . 2]" 1
207 1 84 MET HA 1 86 ILE H . . 4.790 4.761 4.161 5.117 0.327 14 0 "[ . 1 . 2]" 1
208 1 20 PHE QB 1 21 ARG H . . 4.270 3.131 3.018 3.269 . 0 0 "[ . 1 . 2]" 1
209 1 43 LEU H 1 45 ASP H . . 5.140 4.470 4.426 4.531 . 0 0 "[ . 1 . 2]" 1
210 1 85 GLN H 1 86 ILE H . . 3.410 2.730 2.497 2.938 . 0 0 "[ . 1 . 2]" 1
211 1 24 GLU QG 1 25 LEU H . . 6.210 4.223 3.234 4.431 . 0 0 "[ . 1 . 2]" 1
212 1 55 GLN H 1 57 GLN H . . 4.600 4.518 4.339 4.664 0.064 20 0 "[ . 1 . 2]" 1
213 1 24 GLU QB 1 25 LEU H . . 5.010 2.484 2.385 2.577 . 0 0 "[ . 1 . 2]" 1
214 1 86 ILE H 1 87 GLN H . . 3.690 2.136 1.674 3.380 . 0 0 "[ . 1 . 2]" 1
215 1 17 LEU HA 1 25 LEU H . . 4.870 9.391 8.839 9.830 4.960 19 20 [**-***************+*] 1
216 1 25 LEU H 1 29 LEU MD1 . . 5.490 6.318 5.212 7.029 1.539 5 11 "[ **+****1 .**-*2]" 1
217 1 26 LYS H 1 28 ILE H . . 4.730 4.433 4.128 4.664 . 0 0 "[ . 1 . 2]" 1
218 1 20 PHE QB 1 25 LEU H . . 5.180 8.465 7.873 8.640 3.460 9 20 [**-*****+***********] 1
219 1 25 LEU H 1 27 ASP H . . 4.870 4.025 3.868 4.383 . 0 0 "[ . 1 . 2]" 1
220 1 24 GLU HA 1 28 ILE H . . 4.450 4.201 3.810 4.334 . 0 0 "[ . 1 . 2]" 1
221 1 26 LYS HA 1 28 ILE H . . 4.410 4.531 4.377 4.846 0.436 19 0 "[ . 1 . 2]" 1
222 1 28 ILE H 1 30 ASN H . . 4.700 4.484 4.002 4.582 . 0 0 "[ . 1 . 2]" 1
223 1 7 ALA HA 1 10 VAL H . . 4.390 3.414 3.110 3.610 . 0 0 "[ . 1 . 2]" 1
224 1 8 ASP H 1 10 VAL H . . 3.890 4.299 3.978 4.422 0.532 10 6 "[ * .* + * * - 2]" 1
225 1 9 LEU HB3 1 10 VAL H . . 3.680 2.699 2.534 3.083 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU HA 1 28 ILE H . . 3.950 3.639 3.491 3.799 . 0 0 "[ . 1 . 2]" 1
227 1 69 THR H 1 73 VAL H . . 5.000 4.636 3.930 6.928 1.928 13 2 "[ - 1 + . 2]" 1
228 1 9 LEU HB2 1 10 VAL H . . 3.960 3.513 2.927 3.876 . 0 0 "[ . 1 . 2]" 1
229 1 70 LYS H 1 73 VAL H . . 5.440 2.987 2.806 3.413 . 0 0 "[ . 1 . 2]" 1
230 1 8 ASP HA 1 10 VAL H . . 4.600 4.523 4.477 4.558 . 0 0 "[ . 1 . 2]" 1
231 1 76 ILE H 1 79 ASP H . . 5.270 4.628 4.540 4.860 . 0 0 "[ . 1 . 2]" 1
232 1 77 VAL H 1 79 ASP H . . 5.190 4.086 3.935 4.337 . 0 0 "[ . 1 . 2]" 1
233 1 75 LYS HA 1 79 ASP H . . 4.300 3.659 3.455 3.885 . 0 0 "[ . 1 . 2]" 1
234 1 76 ILE HA 1 79 ASP H . . 4.140 3.872 3.781 3.975 . 0 0 "[ . 1 . 2]" 1
235 1 78 ASP H 1 79 ASP H . . 3.700 2.735 2.638 2.816 . 0 0 "[ . 1 . 2]" 1
236 1 79 ASP H 1 79 ASP HB2 . . 3.500 2.390 2.214 2.772 . 0 0 "[ . 1 . 2]" 1
237 1 79 ASP H 1 79 ASP HB3 . . 3.630 3.134 2.333 3.585 . 0 0 "[ . 1 . 2]" 1
238 1 79 ASP H 1 80 THR H . . 3.950 2.624 2.511 2.724 . 0 0 "[ . 1 . 2]" 1
239 1 30 ASN HB2 1 31 GLN H . . 3.990 4.064 2.363 4.315 0.325 19 0 "[ . 1 . 2]" 1
240 1 28 ILE HA 1 31 GLN H . . 4.180 3.656 3.508 4.051 . 0 0 "[ . 1 . 2]" 1
241 1 30 ASN HB3 1 31 GLN H . . 3.780 3.423 2.717 3.767 . 0 0 "[ . 1 . 2]" 1
242 1 27 ASP HA 1 31 GLN H . . 4.510 3.964 3.581 4.054 . 0 0 "[ . 1 . 2]" 1
243 1 31 GLN H 1 32 LEU H . . 3.530 2.642 2.470 2.833 . 0 0 "[ . 1 . 2]" 1
244 1 31 GLN H 1 31 GLN HB3 . . 3.390 2.158 2.081 2.215 . 0 0 "[ . 1 . 2]" 1
245 1 31 GLN H 1 31 GLN HB2 . . 3.940 3.078 2.989 3.514 . 0 0 "[ . 1 . 2]" 1
246 1 11 SER H 1 14 LYS H . . 5.390 4.581 4.522 4.641 . 0 0 "[ . 1 . 2]" 1
247 1 14 LYS H 1 14 LYS HB3 . . 3.480 3.549 3.505 3.564 0.084 6 0 "[ . 1 . 2]" 1
248 1 14 LYS H 1 14 LYS HB2 . . 3.420 2.298 2.203 2.345 . 0 0 "[ . 1 . 2]" 1
249 1 14 LYS H 1 16 LYS H . . 5.150 4.456 4.427 4.485 . 0 0 "[ . 1 . 2]" 1
250 1 12 SER H 1 14 LYS H . . 4.550 4.363 4.174 4.457 . 0 0 "[ . 1 . 2]" 1
251 1 13 CYS QB 1 14 LYS H . . 4.060 2.526 2.339 3.236 . 0 0 "[ . 1 . 2]" 1
252 1 14 LYS H 1 17 LEU H . . 5.260 4.908 4.811 5.059 . 0 0 "[ . 1 . 2]" 1
253 1 13 CYS H 1 14 LYS H . . 3.570 2.651 2.606 2.728 . 0 0 "[ . 1 . 2]" 1
254 1 12 SER QB 1 14 LYS H . . 5.390 4.906 4.742 4.983 . 0 0 "[ . 1 . 2]" 1
255 1 69 THR HA 1 70 LYS H . . 3.380 2.935 2.171 3.182 . 0 0 "[ . 1 . 2]" 1
256 1 12 SER HA 1 14 LYS H . . 4.620 4.840 4.546 4.946 0.326 17 0 "[ . 1 . 2]" 1
257 1 70 LYS H 1 72 ALA H . . 4.950 4.328 4.020 4.799 . 0 0 "[ . 1 . 2]" 1
258 1 70 LYS H 1 71 GLU HA . . 5.250 5.366 5.050 5.712 0.462 11 0 "[ . 1 . 2]" 1
259 1 74 ALA H 1 76 ILE H . . 5.060 3.943 3.850 4.063 . 0 0 "[ . 1 . 2]" 1
260 1 76 ILE H 1 78 ASP H . . 5.120 4.094 3.908 4.305 . 0 0 "[ . 1 . 2]" 1
261 1 73 VAL H 1 76 ILE H . . 4.960 4.507 4.458 4.591 . 0 0 "[ . 1 . 2]" 1
262 1 75 LYS H 1 76 ILE H . . 3.820 2.515 2.480 2.561 . 0 0 "[ . 1 . 2]" 1
263 1 75 LYS QB 1 76 ILE H . . 3.960 3.142 2.850 3.604 . 0 0 "[ . 1 . 2]" 1
264 1 76 ILE H 1 77 VAL H . . 3.880 2.723 2.686 2.762 . 0 0 "[ . 1 . 2]" 1
265 1 63 GLY H 1 64 ARG H . . 3.240 2.425 1.917 2.659 . 0 0 "[ . 1 . 2]" 1
266 1 29 LEU H 1 29 LEU MD1 . . 4.490 3.234 2.830 3.627 . 0 0 "[ . 1 . 2]" 1
267 1 27 ASP H 1 29 LEU H . . 5.040 4.138 4.015 4.512 . 0 0 "[ . 1 . 2]" 1
268 1 28 ILE H 1 29 LEU H . . 4.180 2.701 2.585 2.903 . 0 0 "[ . 1 . 2]" 1
269 1 49 ALA H 1 50 LEU H . . 3.460 2.723 2.636 2.794 . 0 0 "[ . 1 . 2]" 1
270 1 48 LEU H 1 49 ALA H . . 3.550 2.881 2.830 2.930 . 0 0 "[ . 1 . 2]" 1
271 1 46 ARG QB 1 49 ALA H . . 5.630 5.392 5.252 5.485 . 0 0 "[ . 1 . 2]" 1
272 1 45 ASP HA 1 49 ALA H . . 4.260 4.211 4.082 4.371 0.111 15 0 "[ . 1 . 2]" 1
273 1 49 ALA H 1 51 LEU H . . 4.280 4.076 3.945 4.599 0.319 20 0 "[ . 1 . 2]" 1
274 1 49 ALA H 1 50 LEU QB . . 5.340 4.695 4.351 5.152 . 0 0 "[ . 1 . 2]" 1
275 1 58 ARG H 1 58 ARG QG . . 3.860 3.460 3.098 4.142 0.282 5 0 "[ . 1 . 2]" 1
276 1 46 ARG HA 1 49 ALA H . . 4.010 3.828 3.702 3.934 . 0 0 "[ . 1 . 2]" 1
277 1 75 LYS HA 1 78 ASP H . . 4.200 3.556 3.341 3.732 . 0 0 "[ . 1 . 2]" 1
278 1 77 VAL H 1 78 ASP H . . 3.840 2.612 2.500 2.742 . 0 0 "[ . 1 . 2]" 1
279 1 76 ILE HA 1 78 ASP H . . 4.240 4.769 4.469 4.991 0.751 18 9 "[- ** * * * +**]" 1
280 1 78 ASP H 1 80 THR H . . 5.360 4.291 4.044 4.459 . 0 0 "[ . 1 . 2]" 1
281 1 58 ARG H 1 59 HIS QB . . 4.830 4.836 3.923 5.572 0.742 6 5 "[ -.+ * 1 * . * 2]" 1
282 1 72 ALA HA 1 74 ALA H . . 4.560 4.855 4.726 4.937 0.377 15 0 "[ . 1 . 2]" 1
283 1 73 VAL H 1 74 ALA H . . 3.590 2.750 2.714 2.791 . 0 0 "[ . 1 . 2]" 1
284 1 102 PHE H 1 102 PHE HB3 . . 3.530 3.750 3.473 4.056 0.526 20 1 "[ . 1 . +]" 1
285 1 60 HIS QB 1 62 TRP H . . 4.420 5.862 4.492 6.711 2.291 2 18 "[*+*******1 ****-****]" 1
286 1 62 TRP H 1 63 GLY H . . 3.540 2.293 1.849 3.328 . 0 0 "[ . 1 . 2]" 1
287 1 71 GLU HA 1 74 ALA H . . 4.440 3.603 3.476 3.754 . 0 0 "[ . 1 . 2]" 1
288 1 74 ALA H 1 75 LYS H . . 3.700 2.809 2.775 2.893 . 0 0 "[ . 1 . 2]" 1
289 1 74 ALA H 1 75 LYS QB . . 4.630 4.855 4.513 5.138 0.508 19 2 "[ . - . +2]" 1
290 1 61 GLY H 1 62 TRP H . . 3.820 4.276 2.778 4.650 0.830 17 17 "[*** *****- **** +***]" 1
291 1 102 PHE H 1 102 PHE HB2 . . 3.230 2.672 2.160 3.613 0.383 20 0 "[ . 1 . 2]" 1
292 1 101 ASP H 1 102 PHE H . . 3.250 2.428 1.778 4.252 1.002 10 3 "[ . + . * -]" 1
293 1 101 ASP HB2 1 102 PHE H . . 4.100 4.128 3.459 4.601 0.501 14 1 "[ . 1 +. 2]" 1
294 1 102 PHE H 1 103 SER H . . 2.920 2.189 1.840 2.765 . 0 0 "[ . 1 . 2]" 1
295 1 101 ASP HA 1 102 PHE H . . 2.710 3.027 2.238 3.197 0.487 16 0 "[ . 1 . 2]" 1
296 1 21 ARG QB 1 22 ILE H . . 4.150 3.077 2.853 3.487 . 0 0 "[ . 1 . 2]" 1
297 1 55 GLN H 1 55 GLN HA . . 2.670 2.934 2.813 2.947 0.277 20 0 "[ . 1 . 2]" 1
298 1 52 THR HA 1 55 GLN H . . 4.840 4.216 3.924 4.519 . 0 0 "[ . 1 . 2]" 1
299 1 101 ASP HB3 1 102 PHE H . . 4.320 4.093 2.292 4.647 0.327 9 0 "[ . 1 . 2]" 1
300 1 54 GLU QB 1 55 GLN H . . 3.060 3.228 3.031 3.333 0.273 8 0 "[ . 1 . 2]" 1
301 1 22 ILE H 1 44 ILE MD . . 6.520 8.701 8.113 9.778 3.258 18 20 [*****************+-*] 1
302 1 29 LEU MD1 1 34 LEU H . . 5.360 8.152 7.490 9.005 3.645 20 20 [******************-+] 1
303 1 32 LEU HA 1 34 LEU H . . 5.080 3.914 3.359 4.370 . 0 0 "[ . 1 . 2]" 1
304 1 33 GLY H 1 34 LEU H . . 3.490 2.550 2.309 2.592 . 0 0 "[ . 1 . 2]" 1
305 1 29 LEU HA 1 34 LEU H . . 4.220 6.725 6.429 6.894 2.674 18 20 [****************-+**] 1
306 1 30 ASN H 1 34 LEU H . . 5.500 6.368 5.987 6.919 1.419 20 19 "[*****-********** **+]" 1
307 1 43 LEU QB 1 46 ARG H . . 5.270 5.202 5.116 5.305 0.035 2 0 "[ . 1 . 2]" 1
308 1 46 ARG H 1 49 ALA H . . 4.680 5.123 5.069 5.149 0.469 7 0 "[ . 1 . 2]" 1
309 1 46 ARG H 1 47 VAL H . . 3.580 2.659 2.614 2.712 . 0 0 "[ . 1 . 2]" 1
310 1 64 ARG H 1 65 LYS H . . 3.740 2.848 1.934 3.454 . 0 0 "[ . 1 . 2]" 1
311 1 65 LYS H 1 66 ASN H . . 3.300 2.744 1.850 3.422 0.122 15 0 "[ . 1 . 2]" 1
312 1 65 LYS H 1 67 SER H . . 4.800 4.131 2.569 5.432 0.632 17 1 "[ . 1 . + 2]" 1
313 1 40 LYS H 1 40 LYS QE . . 5.810 3.060 1.955 4.186 . 0 0 "[ . 1 . 2]" 1
314 1 40 LYS H 1 40 LYS HB2 . . 3.510 3.159 2.531 3.682 0.172 8 0 "[ . 1 . 2]" 1
315 1 40 LYS H 1 40 LYS HB3 . . 3.380 3.112 2.477 3.683 0.303 12 0 "[ . 1 . 2]" 1
316 1 39 LYS H 1 40 LYS H . . 4.630 3.431 1.870 4.178 . 0 0 "[ . 1 . 2]" 1
317 1 40 LYS H 1 41 GLN H . . 3.880 4.514 4.426 4.611 0.731 5 20 [****+*******-*******] 1
318 1 101 ASP H 1 101 ASP HB2 . . 3.390 3.487 2.775 4.023 0.633 12 3 "[ *. -1 + . 2]" 1
319 1 101 ASP H 1 101 ASP HB3 . . 3.600 3.534 2.839 4.001 0.401 19 0 "[ . 1 . 2]" 1
320 1 54 GLU H 1 54 GLU QB . . 3.110 2.082 2.059 2.179 . 0 0 "[ . 1 . 2]" 1
321 1 52 THR HA 1 54 GLU H . . 3.930 5.464 5.017 5.841 1.911 20 20 [*******-***********+] 1
322 1 49 ALA HA 1 54 GLU H . . 4.570 5.958 5.854 6.389 1.819 13 20 [*****-******+*******] 1
323 1 103 SER HA 1 104 PHE H . . 2.750 3.138 3.014 3.373 0.623 5 1 "[ + 1 . 2]" 1
324 1 52 THR H 1 54 GLU H . . 4.950 4.619 4.208 4.920 . 0 0 "[ . 1 . 2]" 1
325 1 104 PHE H 1 104 PHE QB . . 3.780 2.977 2.234 3.448 . 0 0 "[ . 1 . 2]" 1
326 1 53 ASP H 1 54 GLU H . . 3.250 2.500 2.171 2.805 . 0 0 "[ . 1 . 2]" 1
327 1 51 LEU H 1 53 ASP H . . 4.990 3.579 3.509 3.849 . 0 0 "[ . 1 . 2]" 1
328 1 52 THR HA 1 53 ASP H . . 3.170 3.358 3.304 3.458 0.288 13 0 "[ . 1 . 2]" 1
329 1 49 ALA HA 1 53 ASP H . . 5.120 4.191 3.825 4.289 . 0 0 "[ . 1 . 2]" 1
330 1 75 LYS HA 1 77 VAL H . . 4.960 4.560 4.507 4.621 . 0 0 "[ . 1 . 2]" 1
331 1 92 LEU H 1 93 ALA H . . 3.260 2.927 2.593 3.398 0.138 11 0 "[ . 1 . 2]" 1
332 1 92 LEU H 1 92 LEU QB . . 3.770 3.059 2.907 3.449 . 0 0 "[ . 1 . 2]" 1
333 1 94 THR HA 1 95 ARG H . . 2.980 2.998 2.433 3.548 0.568 6 2 "[- .+ 1 . 2]" 1
334 1 94 THR H 1 95 ARG H . . 3.520 2.511 1.820 3.158 . 0 0 "[ . 1 . 2]" 1
335 1 107 ILE HA 1 109 GLU H . . 4.630 4.353 3.504 4.526 . 0 0 "[ . 1 . 2]" 1
336 1 109 GLU H 1 109 GLU HA . . 2.700 2.565 2.275 2.757 0.057 6 0 "[ . 1 . 2]" 1
337 1 92 LEU QB 1 93 ALA H . . 4.890 3.949 3.836 4.027 . 0 0 "[ . 1 . 2]" 1
338 1 7 ALA HA 1 9 LEU H . . 4.560 3.958 3.824 4.013 . 0 0 "[ . 1 . 2]" 1
339 1 9 LEU H 1 10 VAL HA . . 5.210 5.128 5.073 5.169 . 0 0 "[ . 1 . 2]" 1
340 1 8 ASP HA 1 9 LEU H . . 3.130 3.460 3.433 3.509 0.379 4 0 "[ . 1 . 2]" 1
341 1 8 ASP QB 1 9 LEU H . . 4.260 3.146 2.786 3.645 . 0 0 "[ . 1 . 2]" 1
342 1 9 LEU H 1 9 LEU HB3 . . 3.100 2.896 2.516 3.393 0.293 7 0 "[ . 1 . 2]" 1
343 1 9 LEU H 1 9 LEU HB2 . . 3.340 2.314 2.107 2.601 . 0 0 "[ . 1 . 2]" 1
344 1 68 LEU H 1 68 LEU HG . . 3.200 3.500 2.556 5.033 1.833 16 8 "[ ** * 1 - .+***2]" 1
345 1 66 ASN HA 1 68 LEU H . . 4.630 3.668 2.946 6.281 1.651 5 1 "[ + 1 . 2]" 1
346 1 66 ASN H 1 68 LEU H . . 5.200 4.234 2.978 5.001 . 0 0 "[ . 1 . 2]" 1
347 1 81 TYR H 1 82 ARG QB . . 5.650 4.412 4.287 4.511 . 0 0 "[ . 1 . 2]" 1
348 1 78 ASP HA 1 81 TYR H . . 4.360 3.764 3.556 4.073 . 0 0 "[ . 1 . 2]" 1
349 1 81 TYR H 1 82 ARG H . . 3.990 2.667 2.486 2.820 . 0 0 "[ . 1 . 2]" 1
350 1 81 TYR H 1 83 LYS H . . 4.430 4.188 3.840 4.409 . 0 0 "[ . 1 . 2]" 1
351 1 77 VAL HA 1 81 TYR H . . 4.860 3.790 3.284 4.257 . 0 0 "[ . 1 . 2]" 1
352 1 70 LYS HA 1 72 ALA H . . 4.920 4.367 4.206 4.646 . 0 0 "[ . 1 . 2]" 1
353 1 69 THR H 1 72 ALA H . . 4.400 6.158 5.609 7.938 3.538 5 20 [****+*********-*****] 1
354 1 72 ALA H 1 74 ALA H . . 4.690 4.353 4.265 4.524 . 0 0 "[ . 1 . 2]" 1
355 1 69 THR HA 1 72 ALA H . . 4.740 7.039 6.630 7.533 2.793 4 20 [***+***********-****] 1
356 1 71 GLU HG2 1 72 ALA H . . 4.800 3.489 2.041 5.314 0.514 14 1 "[ . 1 +. 2]" 1
357 1 7 ALA H 1 8 ASP QB . . 5.300 4.766 3.546 5.381 0.081 9 0 "[ . 1 . 2]" 1
358 1 7 ALA H 1 8 ASP H . . 2.990 2.745 1.790 3.267 0.277 19 0 "[ . 1 . 2]" 1
359 1 103 SER QB 1 105 ARG H . . 5.760 5.390 3.635 6.762 1.002 17 3 "[* . 1 .-+ 2]" 1
360 1 105 ARG H 1 105 ARG HA . . 2.620 2.726 2.273 2.944 0.324 11 0 "[ . 1 . 2]" 1
361 1 104 PHE QB 1 105 ARG H . . 4.490 3.678 1.977 4.051 . 0 0 "[ . 1 . 2]" 1
362 1 103 SER HA 1 105 ARG H . . 4.490 5.178 4.404 6.735 2.245 16 7 "[*- .* * *.+* 2]" 1
363 1 107 ILE HA 1 108 GLU H . . 2.630 2.572 2.267 2.633 0.003 2 0 "[ . 1 . 2]" 1
364 1 88 CYS HA 1 89 ALA H . . 3.220 2.748 2.173 3.552 0.332 7 0 "[ . 1 . 2]" 1
365 1 86 ILE HA 1 89 ALA H . . 5.240 8.128 6.464 9.813 4.573 8 20 [****-**+************] 1
366 1 109 GLU QB 1 110 ALA H . . 5.520 3.141 2.027 3.878 . 0 0 "[ . 1 . 2]" 1
367 1 109 GLU H 1 110 ALA H . . 4.040 2.829 2.609 3.246 . 0 0 "[ . 1 . 2]" 1
368 1 109 GLU HA 1 110 ALA H . . 2.910 3.254 2.812 3.550 0.640 6 12 "[ * .+* *1*-* .*****]" 1
369 1 109 GLU QG 1 110 ALA H . . 5.540 4.274 2.072 4.772 . 0 0 "[ . 1 . 2]" 1
370 1 31 GLN HA 1 33 GLY H . . 4.570 4.295 3.983 4.552 . 0 0 "[ . 1 . 2]" 1
371 1 30 ASN QB 1 33 GLY H . . 6.190 4.906 4.498 5.186 . 0 0 "[ . 1 . 2]" 1
372 1 31 GLN QB 1 33 GLY H . . 5.690 4.738 4.575 5.041 . 0 0 "[ . 1 . 2]" 1
373 1 32 LEU QB 1 33 GLY H . . 5.350 2.818 2.623 3.042 . 0 0 "[ . 1 . 2]" 1
374 1 50 LEU HA 1 52 THR H . . 4.840 4.654 4.540 4.810 . 0 0 "[ . 1 . 2]" 1
375 1 51 LEU QB 1 52 THR H . . 4.650 2.810 2.327 3.018 . 0 0 "[ . 1 . 2]" 1
376 1 51 LEU HG 1 52 THR H . . 4.060 2.998 2.312 5.128 1.068 20 2 "[ . 1 - . +]" 1
377 1 56 GLY H 1 58 ARG QG . . 6.190 5.870 4.509 7.750 1.560 13 4 "[- . **1 + . 2]" 1
378 1 37 GLN QB 1 38 GLY H . . 4.230 3.412 2.185 4.045 . 0 0 "[ . 1 . 2]" 1
379 1 37 GLN HA 1 38 GLY H . . 2.850 3.097 2.543 3.570 0.720 2 10 "[*+ *- 1* *** **]" 1
380 1 37 GLN QG 1 38 GLY H . . 4.680 4.020 2.246 4.570 . 0 0 "[ . 1 . 2]" 1
381 1 60 HIS HA 1 61 GLY H . . 3.530 2.929 2.194 3.570 0.040 20 0 "[ . 1 . 2]" 1
382 1 98 SER QB 1 99 GLY H . . 4.650 3.239 1.919 4.044 . 0 0 "[ . 1 . 2]" 1
383 1 93 ALA HA 1 94 THR H . . 3.430 3.281 2.531 3.571 0.141 14 0 "[ . 1 . 2]" 1
384 1 91 ASP QB 1 94 THR H . . 6.380 5.536 2.149 7.256 0.876 11 4 "[ . * 1+ *. - 2]" 1
385 1 68 LEU HG 1 69 THR H . . 4.540 5.191 4.676 5.740 1.200 3 10 "[ + .*** 1* *.***-2]" 1
386 1 68 LEU QB 1 69 THR H . . 4.690 3.845 3.255 4.020 . 0 0 "[ . 1 . 2]" 1
387 1 40 LYS QB 1 41 GLN H . . 4.650 2.091 1.943 2.695 . 0 0 "[ . 1 . 2]" 1
388 1 41 GLN H 1 41 GLN QG . . 4.590 3.314 2.896 4.030 . 0 0 "[ . 1 . 2]" 1
389 1 30 ASN QD 1 31 GLN QB . . 5.720 3.590 2.545 5.784 0.064 17 0 "[ . 1 . 2]" 1
390 1 8 ASP HA 1 11 SER H . . 4.220 3.646 3.586 3.782 . 0 0 "[ . 1 . 2]" 1
391 1 9 LEU HA 1 11 SER H . . 5.090 4.534 4.453 4.579 . 0 0 "[ . 1 . 2]" 1
392 1 9 LEU QB 1 11 SER H . . 5.470 4.703 4.658 4.793 . 0 0 "[ . 1 . 2]" 1
393 1 9 LEU QB 1 12 SER H . . 5.610 5.246 5.214 5.272 . 0 0 "[ . 1 . 2]" 1
394 1 8 ASP QB 1 12 SER H . . 5.490 4.654 4.397 5.020 . 0 0 "[ . 1 . 2]" 1
395 1 10 VAL HA 1 12 SER H . . 4.730 4.855 4.798 4.905 0.175 8 0 "[ . 1 . 2]" 1
396 1 8 ASP HA 1 12 SER H . . 4.820 3.559 3.492 3.684 . 0 0 "[ . 1 . 2]" 1
397 1 47 VAL HA 1 50 LEU H . . 4.540 3.625 3.500 3.710 . 0 0 "[ . 1 . 2]" 1
398 1 67 SER H 1 68 LEU QB . . 5.550 5.122 4.321 5.506 . 0 0 "[ . 1 . 2]" 1
399 1 67 SER H 1 67 SER QB . . 3.900 2.765 2.147 3.449 . 0 0 "[ . 1 . 2]" 1
400 1 65 LYS QB 1 67 SER H . . 5.700 5.091 3.737 5.937 0.237 17 0 "[ . 1 . 2]" 1
401 1 66 ASN HA 1 67 SER H . . 2.960 2.958 2.317 3.518 0.558 4 3 "[ +. 1 -. *]" 1
402 1 19 TYR H 1 20 PHE QD . . 7.160 6.334 6.252 6.359 . 0 0 "[ . 1 . 2]" 1
403 1 17 LEU HA 1 19 TYR H . . 4.670 4.366 4.322 4.403 . 0 0 "[ . 1 . 2]" 1
404 1 14 LYS HA 1 17 LEU H . . 4.730 3.843 3.744 3.902 . 0 0 "[ . 1 . 2]" 1
405 1 51 LEU H 1 52 THR HA . . 5.320 5.168 5.103 5.418 0.098 13 0 "[ . 1 . 2]" 1
406 1 51 LEU H 1 51 LEU HG . . 3.480 3.392 2.254 3.931 0.451 20 0 "[ . 1 . 2]" 1
407 1 47 VAL HA 1 51 LEU H . . 5.230 4.352 4.197 4.510 . 0 0 "[ . 1 . 2]" 1
408 1 40 LYS HA 1 42 ASP H . . 4.940 4.405 4.006 4.718 . 0 0 "[ . 1 . 2]" 1
409 1 41 GLN QB 1 42 ASP H . . 4.850 2.765 2.462 2.944 . 0 0 "[ . 1 . 2]" 1
410 1 40 LYS QG 1 42 ASP H . . 4.990 3.299 1.861 4.989 . 0 0 "[ . 1 . 2]" 1
411 1 17 LEU QB 1 18 ALA H . . 4.810 2.440 2.226 3.245 . 0 0 "[ . 1 . 2]" 1
412 1 97 HIS QB 1 98 SER H . . 5.270 3.531 1.985 4.061 . 0 0 "[ . 1 . 2]" 1
413 1 101 ASP QB 1 103 SER H . . 5.940 4.364 2.335 5.055 . 0 0 "[ . 1 . 2]" 1
414 1 28 ILE HA 1 32 LEU H . . 5.170 4.155 4.015 4.307 . 0 0 "[ . 1 . 2]" 1
415 1 31 GLN QB 1 32 LEU H . . 4.770 2.828 2.675 3.382 . 0 0 "[ . 1 . 2]" 1
416 1 103 SER H 1 103 SER QB . . 3.920 2.456 2.224 2.959 . 0 0 "[ . 1 . 2]" 1
417 1 30 ASN QB 1 32 LEU H . . 5.960 5.144 4.408 5.302 . 0 0 "[ . 1 . 2]" 1
418 1 102 PHE QB 1 103 SER H . . 4.680 3.412 3.180 3.744 . 0 0 "[ . 1 . 2]" 1
419 1 30 ASN HA 1 32 LEU H . . 4.850 4.450 4.018 4.651 . 0 0 "[ . 1 . 2]" 1
420 1 82 ARG HA 1 85 GLN H . . 4.380 3.383 3.169 3.769 . 0 0 "[ . 1 . 2]" 1
421 1 85 GLN H 1 85 GLN QG . . 4.370 3.795 3.126 4.009 . 0 0 "[ . 1 . 2]" 1
422 1 85 GLN H 1 86 ILE HA . . 4.690 5.121 5.050 5.179 0.489 14 0 "[ . 1 . 2]" 1
423 1 84 MET QB 1 85 GLN H . . 4.670 2.940 2.562 3.625 . 0 0 "[ . 1 . 2]" 1
424 1 79 ASP QB 1 80 THR H . . 5.000 2.486 2.368 2.652 . 0 0 "[ . 1 . 2]" 1
425 1 76 ILE HA 1 80 THR H . . 5.160 4.121 3.847 4.305 . 0 0 "[ . 1 . 2]" 1
426 1 45 ASP HA 1 47 VAL H . . 4.590 4.189 4.084 4.305 . 0 0 "[ . 1 . 2]" 1
427 1 46 ARG QB 1 47 VAL H . . 4.730 2.820 2.765 2.924 . 0 0 "[ . 1 . 2]" 1
428 1 26 LYS H 1 27 ASP QB . . 5.250 4.416 4.337 4.651 . 0 0 "[ . 1 . 2]" 1
429 1 21 ARG HA 1 24 GLU H . . 5.370 6.392 6.006 6.495 1.125 9 20 [**-*****+***********] 1
430 1 14 LYS QB 1 15 ASP H . . 4.160 2.630 2.563 2.677 . 0 0 "[ . 1 . 2]" 1
431 1 24 GLU H 1 27 ASP QB . . 5.710 4.404 4.181 4.805 . 0 0 "[ . 1 . 2]" 1
432 1 13 CYS HA 1 15 ASP H . . 4.930 4.447 4.302 4.556 . 0 0 "[ . 1 . 2]" 1
433 1 24 GLU H 1 24 GLU QG . . 4.880 3.584 1.977 4.059 . 0 0 "[ . 1 . 2]" 1
434 1 20 PHE HA 1 24 GLU H . . 5.110 9.878 8.749 10.108 4.998 14 20 [**-**********+******] 1
435 1 14 LYS HA 1 16 LYS H . . 4.640 4.862 4.713 4.927 0.287 16 0 "[ . 1 . 2]" 1
436 1 13 CYS QB 1 16 LYS H . . 5.400 5.170 4.972 5.261 . 0 0 "[ . 1 . 2]" 1
437 1 80 THR HA 1 83 LYS H . . 4.350 3.718 3.537 3.911 . 0 0 "[ . 1 . 2]" 1
438 1 81 TYR HA 1 83 LYS H . . 5.250 4.659 4.181 4.894 . 0 0 "[ . 1 . 2]" 1
439 1 10 VAL HA 1 13 CYS H . . 4.430 3.772 3.657 3.866 . 0 0 "[ . 1 . 2]" 1
440 1 81 TYR HA 1 84 MET H . . 4.900 3.702 3.446 3.890 . 0 0 "[ . 1 . 2]" 1
441 1 37 GLN H 1 37 GLN QG . . 4.300 3.199 1.880 4.384 0.084 13 0 "[ . 1 . 2]" 1
442 1 17 LEU QB 1 20 PHE H . . 5.910 4.743 4.667 4.813 . 0 0 "[ . 1 . 2]" 1
443 1 9 LEU HA 1 13 CYS H . . 4.600 3.751 3.645 3.856 . 0 0 "[ . 1 . 2]" 1
444 1 21 ARG HA 1 23 LYS H . . 5.040 6.431 6.397 6.630 1.590 3 20 [**+******-**********] 1
445 1 35 PRO HA 1 37 GLN H . . 4.110 5.652 3.440 6.515 2.405 18 17 "[**-**** *1* *****+**]" 1
446 1 41 GLN QG 1 45 ASP H . . 5.670 5.156 3.940 6.081 0.411 20 0 "[ . 1 . 2]" 1
447 1 45 ASP H 1 46 ARG HA . . 4.990 5.470 5.442 5.493 0.503 19 1 "[ . 1 . +2]" 1
448 1 41 GLN HA 1 45 ASP H . . 4.140 3.879 3.492 4.173 0.033 15 0 "[ . 1 . 2]" 1
449 1 65 LYS QG 1 66 ASN H . . 5.300 4.126 3.294 4.868 . 0 0 "[ . 1 . 2]" 1
450 1 8 ASP H 1 9 LEU QB . . 5.070 4.325 4.255 4.505 . 0 0 "[ . 1 . 2]" 1
451 1 65 LYS QB 1 66 ASN H . . 4.510 3.739 2.819 4.039 . 0 0 "[ . 1 . 2]" 1
452 1 87 GLN HA 1 88 CYS H . . 3.470 3.010 2.140 3.569 0.099 10 0 "[ . 1 . 2]" 1
453 1 71 GLU HA 1 75 LYS H . . 5.000 3.758 3.504 4.045 . 0 0 "[ . 1 . 2]" 1
454 1 58 ARG QB 1 59 HIS H . . 4.590 3.294 2.591 3.917 . 0 0 "[ . 1 . 2]" 1
455 1 24 GLU HA 1 27 ASP H . . 3.790 3.623 3.455 4.051 0.261 17 0 "[ . 1 . 2]" 1
456 1 26 LYS QB 1 27 ASP H . . 4.830 2.692 2.269 3.242 . 0 0 "[ . 1 . 2]" 1
457 1 24 GLU QB 1 27 ASP H . . 5.170 4.897 4.747 5.270 0.100 17 0 "[ . 1 . 2]" 1
458 1 83 LYS HA 1 86 ILE H . . 4.520 3.971 3.470 4.323 . 0 0 "[ . 1 . 2]" 1
459 1 21 ARG H 1 24 GLU QB . . 5.270 7.307 6.155 7.537 2.267 19 20 [**-***************+*] 1
460 1 85 GLN HA 1 86 ILE H . . 3.560 3.561 3.466 3.571 0.011 19 0 "[ . 1 . 2]" 1
461 1 22 ILE HA 1 25 LEU H . . 4.640 5.077 4.955 5.204 0.564 3 4 "[ + . *1 *. - 2]" 1
462 1 85 GLN QB 1 86 ILE H . . 4.720 2.369 2.188 2.915 . 0 0 "[ . 1 . 2]" 1
463 1 20 PHE QD 1 21 ARG H . . 7.360 4.533 4.308 4.607 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU H 1 27 ASP QB . . 5.920 4.681 4.486 5.073 . 0 0 "[ . 1 . 2]" 1
465 1 27 ASP QB 1 28 ILE H . . 4.430 2.442 2.235 2.619 . 0 0 "[ . 1 . 2]" 1
466 1 21 ARG QB 1 25 LEU H . . 6.160 3.208 2.973 3.395 . 0 0 "[ . 1 . 2]" 1
467 1 9 LEU QB 1 10 VAL H . . 4.310 2.593 2.488 2.698 . 0 0 "[ . 1 . 2]" 1
468 1 8 ASP QB 1 10 VAL H . . 5.660 5.065 4.753 5.366 . 0 0 "[ . 1 . 2]" 1
469 1 77 VAL HA 1 79 ASP H . . 4.970 4.356 4.228 4.458 . 0 0 "[ . 1 . 2]" 1
470 1 30 ASN QB 1 31 GLN H . . 4.390 3.207 2.330 3.479 . 0 0 "[ . 1 . 2]" 1
471 1 10 VAL HA 1 14 LYS H . . 4.980 3.634 3.492 3.813 . 0 0 "[ . 1 . 2]" 1
472 1 11 SER HA 1 14 LYS H . . 4.270 3.695 3.572 3.774 . 0 0 "[ . 1 . 2]" 1
473 1 70 LYS H 1 71 GLU QB . . 5.770 6.118 5.871 6.376 0.606 11 2 "[ -. 1+ . 2]" 1
474 1 73 VAL HA 1 76 ILE H . . 4.350 3.383 3.340 3.425 . 0 0 "[ . 1 . 2]" 1
475 1 76 ILE H 1 77 VAL HA . . 5.500 5.319 5.292 5.350 . 0 0 "[ . 1 . 2]" 1
476 1 74 ALA HA 1 76 ILE H . . 4.510 4.202 4.102 4.309 . 0 0 "[ . 1 . 2]" 1
477 1 26 LYS HA 1 29 LEU H . . 4.680 3.493 3.330 3.834 . 0 0 "[ . 1 . 2]" 1
478 1 64 ARG H 1 65 LYS QB . . 5.860 4.702 3.986 5.449 . 0 0 "[ . 1 . 2]" 1
479 1 47 VAL HA 1 49 ALA H . . 4.960 4.856 4.671 4.947 . 0 0 "[ . 1 . 2]" 1
480 1 77 VAL HB 1 78 ASP H . . 3.740 2.499 2.293 2.770 . 0 0 "[ . 1 . 2]" 1
481 1 78 ASP H 1 79 ASP QB . . 5.870 4.575 4.438 4.714 . 0 0 "[ . 1 . 2]" 1
482 1 96 SER QB 1 97 HIS H . . 5.570 3.739 3.681 3.906 . 0 0 "[ . 1 . 2]" 1
483 1 49 ALA H 1 50 LEU HA . . 5.110 5.322 5.224 5.384 0.274 4 0 "[ . 1 . 2]" 1
484 1 74 ALA HA 1 78 ASP H . . 4.300 4.157 4.003 4.322 0.022 9 0 "[ . 1 . 2]" 1
485 1 60 HIS HA 1 62 TRP H . . 4.100 6.354 4.137 7.082 2.982 12 19 "[***-*******+*** ****]" 1
486 1 101 ASP QB 1 102 PHE H . . 4.700 3.598 2.262 4.013 . 0 0 "[ . 1 . 2]" 1
487 1 55 GLN H 1 55 GLN QG . . 4.230 3.854 3.264 4.121 . 0 0 "[ . 1 . 2]" 1
488 1 53 ASP HA 1 55 GLN H . . 4.460 4.022 3.868 4.127 . 0 0 "[ . 1 . 2]" 1
489 1 32 LEU QB 1 34 LEU H . . 5.080 4.565 4.322 4.879 . 0 0 "[ . 1 . 2]" 1
490 1 30 ASN HA 1 34 LEU H . . 4.580 4.447 4.032 5.087 0.507 20 1 "[ . 1 . +]" 1
491 1 44 ILE HA 1 46 ARG H . . 4.460 4.698 4.575 4.807 0.347 13 0 "[ . 1 . 2]" 1
492 1 43 LEU HA 1 46 ARG H . . 4.290 3.884 3.743 4.014 . 0 0 "[ . 1 . 2]" 1
493 1 86 ILE HA 1 87 GLN H . . 3.480 3.052 2.407 3.557 0.077 14 0 "[ . 1 . 2]" 1
494 1 40 LYS H 1 41 GLN HA . . 5.500 5.774 5.641 5.957 0.457 7 0 "[ . 1 . 2]" 1
495 1 65 LYS H 1 65 LYS QG . . 4.420 3.927 1.956 4.313 . 0 0 "[ . 1 . 2]" 1
496 1 65 LYS H 1 66 ASN QB . . 5.960 4.808 3.911 5.422 . 0 0 "[ . 1 . 2]" 1
497 1 65 LYS H 1 66 ASN HA . . 5.490 5.116 3.987 5.579 0.089 14 0 "[ . 1 . 2]" 1
498 1 40 LYS H 1 40 LYS QD . . 4.920 2.755 2.008 4.148 . 0 0 "[ . 1 . 2]" 1
499 1 40 LYS H 1 40 LYS QG . . 4.700 2.439 1.859 3.124 . 0 0 "[ . 1 . 2]" 1
500 1 40 LYS H 1 44 ILE MD . . 6.520 4.921 4.259 5.830 . 0 0 "[ . 1 . 2]" 1
501 1 54 GLU H 1 55 GLN QB . . 5.220 4.264 3.956 4.601 . 0 0 "[ . 1 . 2]" 1
502 1 53 ASP HA 1 54 GLU H . . 2.840 3.566 3.551 3.571 0.731 12 20 [***********+*******-] 1
503 1 103 SER QB 1 104 PHE H . . 4.470 3.593 3.483 3.726 . 0 0 "[ . 1 . 2]" 1
504 1 53 ASP H 1 54 GLU QB . . 5.540 4.206 4.100 4.331 . 0 0 "[ . 1 . 2]" 1
505 1 77 VAL H 1 77 VAL HB . . 3.820 2.711 2.689 2.733 . 0 0 "[ . 1 . 2]" 1
506 1 74 ALA HA 1 77 VAL H . . 4.130 3.829 3.732 3.911 . 0 0 "[ . 1 . 2]" 1
507 1 73 VAL HA 1 77 VAL H . . 4.930 4.180 4.077 4.254 . 0 0 "[ . 1 . 2]" 1
508 1 91 ASP HA 1 92 LEU H . . 2.870 3.361 3.328 3.388 0.518 5 7 "[ * + - 1 ** . * *]" 1
509 1 89 ALA HA 1 92 LEU H . . 5.310 7.150 6.658 7.536 2.226 12 20 [***-*******+********] 1
510 1 106 PRO QB 1 109 GLU H . . 6.150 6.599 5.349 7.792 1.642 13 8 "[ *-.* * *+ . * *]" 1
511 1 109 GLU H 1 109 GLU QG . . 4.680 3.375 2.377 4.152 . 0 0 "[ . 1 . 2]" 1
512 1 67 SER QB 1 68 LEU H . . 4.430 3.696 1.819 4.048 . 0 0 "[ . 1 . 2]" 1
513 1 67 SER HA 1 68 LEU H . . 3.230 3.173 2.628 3.519 0.289 14 0 "[ . 1 . 2]" 1
514 1 71 GLU QG 1 72 ALA H . . 5.250 2.716 1.935 4.359 . 0 0 "[ . 1 . 2]" 1
515 1 71 GLU QB 1 72 ALA H . . 4.670 3.224 2.594 3.536 . 0 0 "[ . 1 . 2]" 1
516 1 72 ALA H 1 73 VAL HA . . 5.200 5.328 5.248 5.400 0.200 4 0 "[ . 1 . 2]" 1
517 1 106 PRO HA 1 108 GLU H . . 5.040 6.304 5.296 6.549 1.509 7 17 "[*** -*+* ******* ***]" 1
518 1 104 PHE HA 1 105 ARG H . . 2.810 2.573 2.145 2.760 . 0 0 "[ . 1 . 2]" 1
519 1 106 PRO QB 1 108 GLU H . . 5.570 5.863 4.300 6.769 1.199 13 8 "[ * -* * *+ . * *]" 1
520 1 87 GLN HA 1 89 ALA H . . 5.120 5.671 3.034 6.788 1.668 13 12 "[****.* * 1* +*.**- 2]" 1
521 1 41 GLN HA 1 44 ILE MD . . 5.520 2.509 1.928 3.276 . 0 0 "[ . 1 . 2]" 1
522 1 74 ALA HA 1 77 VAL HB . . 4.860 3.842 3.607 4.023 . 0 0 "[ . 1 . 2]" 1
523 1 72 ALA HA 1 75 LYS QB . . 4.680 3.309 2.808 4.053 . 0 0 "[ . 1 . 2]" 1
524 1 76 ILE HA 1 79 ASP HB2 . . 4.950 3.477 2.935 4.375 . 0 0 "[ . 1 . 2]" 1
525 1 24 GLU HA 1 27 ASP QB . . 5.300 2.604 2.330 3.141 . 0 0 "[ . 1 . 2]" 1
526 1 40 LYS QE 1 44 ILE MD . . 5.900 6.578 5.500 7.577 1.677 2 10 "[ + * * *1*-* * **]" 1
527 1 105 ARG HA 1 106 PRO QD . . 3.160 5.874 4.356 6.884 3.724 9 20 [***-****+***********] 1
528 1 18 ALA HA 1 44 ILE MD . . 5.400 8.032 7.497 8.949 3.549 18 20 [****-************+**] 1
529 1 101 ASP HA 1 101 ASP HB3 . . 2.930 2.629 2.260 3.030 0.100 15 0 "[ . 1 . 2]" 1
530 1 9 LEU HA 1 12 SER QB . . 5.030 2.904 2.761 3.004 . 0 0 "[ . 1 . 2]" 1
531 1 80 THR HA 1 83 LYS QB . . 5.390 3.154 2.388 4.044 . 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 84
_Distance_constraint_stats_list.Viol_count 1578
_Distance_constraint_stats_list.Viol_total 13689.341
_Distance_constraint_stats_list.Viol_max 4.288
_Distance_constraint_stats_list.Viol_rms 0.7323
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4074
_Distance_constraint_stats_list.Viol_average_violations_only 0.4338
_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 7 ALA 10.191 0.336 12 0 "[ . 1 . 2]"
1 8 ASP 13.455 0.380 4 0 "[ . 1 . 2]"
1 9 LEU 9.963 0.288 8 0 "[ . 1 . 2]"
1 10 VAL 4.289 0.233 19 0 "[ . 1 . 2]"
1 11 SER 12.856 0.336 12 0 "[ . 1 . 2]"
1 12 SER 24.469 0.380 4 0 "[ . 1 . 2]"
1 13 CYS 20.710 0.386 17 0 "[ . 1 . 2]"
1 14 LYS 5.758 0.233 19 0 "[ . 1 . 2]"
1 15 ASP 2.925 0.193 19 0 "[ . 1 . 2]"
1 16 LYS 22.129 0.345 9 0 "[ . 1 . 2]"
1 17 LEU 10.747 0.386 17 0 "[ . 1 . 2]"
1 18 ALA 1.470 0.120 7 0 "[ . 1 . 2]"
1 19 TYR 0.260 0.041 17 0 "[ . 1 . 2]"
1 20 PHE 11.115 0.345 9 0 "[ . 1 . 2]"
1 22 ILE 52.093 1.446 9 20 [********+*******-***]
1 23 LYS 0.174 0.042 3 0 "[ . 1 . 2]"
1 24 GLU 12.163 0.409 5 0 "[ . 1 . 2]"
1 25 LEU 14.878 0.472 18 0 "[ . 1 . 2]"
1 26 LYS 58.130 1.446 9 20 [********+*******-***]
1 27 ASP 6.456 0.306 7 0 "[ . 1 . 2]"
1 28 ILE 25.505 0.454 18 0 "[ . 1 . 2]"
1 29 LEU 14.878 0.472 18 0 "[ . 1 . 2]"
1 30 ASN 6.037 0.397 18 0 "[ . 1 . 2]"
1 31 GLN 6.282 0.306 7 0 "[ . 1 . 2]"
1 32 LEU 13.341 0.454 18 0 "[ . 1 . 2]"
1 39 LYS 125.356 3.788 2 20 [*+****************-*]
1 40 LYS 7.014 0.345 13 0 "[ . 1 . 2]"
1 41 GLN 13.200 0.424 16 0 "[ . 1 . 2]"
1 42 ASP 6.990 0.383 12 0 "[ . 1 . 2]"
1 43 LEU 135.505 3.788 2 20 [*+****************-*]
1 44 ILE 14.437 0.345 13 0 "[ . 1 . 2]"
1 45 ASP 30.132 0.550 15 4 "[ . * 1 + *-]"
1 46 ARG 18.776 0.391 12 0 "[ . 1 . 2]"
1 47 VAL 21.906 0.460 17 0 "[ . 1 . 2]"
1 48 LEU 19.091 0.480 13 0 "[ . 1 . 2]"
1 49 ALA 26.723 0.550 15 4 "[ . * 1 + *-]"
1 50 LEU 16.663 0.391 12 0 "[ . 1 . 2]"
1 51 LEU 11.757 0.460 17 0 "[ . 1 . 2]"
1 52 THR 11.668 0.480 13 0 "[ . 1 . 2]"
1 53 ASP 9.790 0.462 7 0 "[ . 1 . 2]"
1 54 GLU 4.877 0.281 5 0 "[ . 1 . 2]"
1 69 THR 155.724 4.288 5 20 [****+*****-*********]
1 70 LYS 13.824 0.468 13 0 "[ . 1 . 2]"
1 71 GLU 6.157 0.322 17 0 "[ . 1 . 2]"
1 72 ALA 6.999 0.313 16 0 "[ . 1 . 2]"
1 73 VAL 169.430 4.288 5 20 [****+*****-*********]
1 74 ALA 28.158 0.538 19 1 "[ . 1 . +2]"
1 75 LYS 14.438 0.336 9 0 "[ . 1 . 2]"
1 76 ILE 20.314 0.414 4 0 "[ . 1 . 2]"
1 77 VAL 17.286 0.437 14 0 "[ . 1 . 2]"
1 78 ASP 26.305 0.538 19 1 "[ . 1 . +2]"
1 79 ASP 11.001 0.336 9 0 "[ . 1 . 2]"
1 80 THR 23.747 0.414 4 0 "[ . 1 . 2]"
1 81 TYR 9.925 0.347 6 0 "[ . 1 . 2]"
1 82 ARG 11.970 0.389 20 0 "[ . 1 . 2]"
1 83 LYS 2.720 0.245 1 0 "[ . 1 . 2]"
1 84 MET 10.432 0.344 18 0 "[ . 1 . 2]"
1 85 GLN 6.345 0.347 6 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 7 ALA O 1 11 SER H . . 1.800 2.029 1.791 2.108 0.308 4 0 "[ . 1 . 2]" 2
2 1 7 ALA O 1 11 SER N . . 2.700 2.980 2.764 3.036 0.336 12 0 "[ . 1 . 2]" 2
3 1 8 ASP O 1 12 SER H . . 1.800 2.140 2.102 2.180 0.380 4 0 "[ . 1 . 2]" 2
4 1 8 ASP O 1 12 SER N . . 2.700 3.032 2.994 3.072 0.372 4 0 "[ . 1 . 2]" 2
5 1 9 LEU O 1 13 CYS H . . 1.800 2.069 2.043 2.088 0.288 8 0 "[ . 1 . 2]" 2
6 1 9 LEU O 1 13 CYS N . . 2.700 2.929 2.910 2.955 0.255 8 0 "[ . 1 . 2]" 2
7 1 10 VAL O 1 14 LYS H . . 1.800 1.898 1.800 2.017 0.217 19 0 "[ . 1 . 2]" 2
8 1 10 VAL O 1 14 LYS N . . 2.700 2.816 2.731 2.933 0.233 19 0 "[ . 1 . 2]" 2
9 1 11 SER O 1 15 ASP H . . 1.800 1.856 1.800 1.981 0.181 19 0 "[ . 1 . 2]" 2
10 1 11 SER O 1 15 ASP N . . 2.700 2.778 2.728 2.893 0.193 19 0 "[ . 1 . 2]" 2
11 1 12 SER O 1 16 LYS H . . 1.800 2.055 2.016 2.087 0.287 19 0 "[ . 1 . 2]" 2
12 1 12 SER O 1 16 LYS N . . 2.700 2.996 2.915 3.037 0.337 3 0 "[ . 1 . 2]" 2
13 1 13 CYS O 1 17 LEU H . . 1.800 2.037 1.933 2.107 0.307 17 0 "[ . 1 . 2]" 2
14 1 13 CYS O 1 17 LEU N . . 2.700 3.000 2.884 3.086 0.386 17 0 "[ . 1 . 2]" 2
15 1 14 LYS O 1 18 ALA H . . 1.800 1.828 1.787 1.911 0.111 19 0 "[ . 1 . 2]" 2
16 1 14 LYS O 1 18 ALA N . . 2.700 2.744 2.698 2.820 0.120 7 0 "[ . 1 . 2]" 2
17 1 15 ASP O 1 19 TYR H . . 1.800 1.770 1.754 1.792 . 0 0 "[ . 1 . 2]" 2
18 1 15 ASP O 1 19 TYR N . . 2.700 2.710 2.671 2.741 0.041 17 0 "[ . 1 . 2]" 2
19 1 16 LYS O 1 20 PHE H . . 1.800 2.095 2.066 2.145 0.345 9 0 "[ . 1 . 2]" 2
20 1 16 LYS O 1 20 PHE N . . 2.700 2.961 2.904 3.025 0.325 17 0 "[ . 1 . 2]" 2
21 1 22 ILE O 1 26 LYS H . . 1.800 3.092 2.821 3.224 1.424 9 20 [********+*******-***] 2
22 1 22 ILE O 1 26 LYS N . . 2.700 4.013 3.788 4.146 1.446 9 20 [********+*******-***] 2
23 1 23 LYS O 1 27 ASP H . . 1.800 1.780 1.737 1.812 0.012 7 0 "[ . 1 . 2]" 2
24 1 23 LYS O 1 27 ASP N . . 2.700 2.681 2.617 2.742 0.042 3 0 "[ . 1 . 2]" 2
25 1 24 GLU O 1 28 ILE H . . 1.800 2.087 1.854 2.181 0.381 5 0 "[ . 1 . 2]" 2
26 1 24 GLU O 1 28 ILE N . . 2.700 3.021 2.800 3.109 0.409 5 0 "[ . 1 . 2]" 2
27 1 25 LEU O 1 29 LEU H . . 1.800 2.147 2.064 2.256 0.456 18 0 "[ . 1 . 2]" 2
28 1 25 LEU O 1 29 LEU N . . 2.700 3.097 3.031 3.172 0.472 18 0 "[ . 1 . 2]" 2
29 1 26 LYS O 1 30 ASN H . . 1.800 1.920 1.763 2.148 0.348 18 0 "[ . 1 . 2]" 2
30 1 26 LYS O 1 30 ASN N . . 2.700 2.878 2.698 3.097 0.397 18 0 "[ . 1 . 2]" 2
31 1 27 ASP O 1 31 GLN H . . 1.800 2.000 1.798 2.106 0.306 7 0 "[ . 1 . 2]" 2
32 1 27 ASP O 1 31 GLN N . . 2.700 2.814 2.683 2.958 0.258 15 0 "[ . 1 . 2]" 2
33 1 28 ILE O 1 32 LEU H . . 1.800 2.131 2.010 2.254 0.454 18 0 "[ . 1 . 2]" 2
34 1 28 ILE O 1 32 LEU N . . 2.700 3.036 2.883 3.131 0.431 17 0 "[ . 1 . 2]" 2
35 1 39 LYS O 1 43 LEU H . . 1.800 5.128 4.604 5.588 3.788 2 20 [*+****************-*] 2
36 1 39 LYS O 1 43 LEU N . . 2.700 5.640 5.028 6.199 3.499 5 20 [****+*************-*] 2
37 1 40 LYS O 1 44 ILE H . . 1.800 1.936 1.768 2.080 0.280 13 0 "[ . 1 . 2]" 2
38 1 40 LYS O 1 44 ILE N . . 2.700 2.908 2.731 3.045 0.345 13 0 "[ . 1 . 2]" 2
39 1 41 GLN O 1 45 ASP H . . 1.800 2.109 2.004 2.171 0.371 16 0 "[ . 1 . 2]" 2
40 1 41 GLN O 1 45 ASP N . . 2.700 3.051 2.931 3.124 0.424 16 0 "[ . 1 . 2]" 2
41 1 42 ASP O 1 46 ARG H . . 1.800 1.944 1.795 2.132 0.332 12 0 "[ . 1 . 2]" 2
42 1 42 ASP O 1 46 ARG N . . 2.700 2.906 2.752 3.083 0.383 12 0 "[ . 1 . 2]" 2
43 1 43 LEU O 1 47 VAL H . . 1.800 2.110 1.994 2.191 0.391 8 0 "[ . 1 . 2]" 2
44 1 43 LEU O 1 47 VAL N . . 2.700 2.898 2.745 3.011 0.311 18 0 "[ . 1 . 2]" 2
45 1 44 ILE O 1 48 LEU H . . 1.800 1.962 1.805 2.100 0.300 17 0 "[ . 1 . 2]" 2
46 1 44 ILE O 1 48 LEU N . . 2.700 2.909 2.753 3.042 0.342 17 0 "[ . 1 . 2]" 2
47 1 45 ASP O 1 49 ALA H . . 1.800 2.187 2.132 2.273 0.473 15 0 "[ . 1 . 2]" 2
48 1 45 ASP O 1 49 ALA N . . 2.700 3.160 3.101 3.250 0.550 15 4 "[ . * 1 + *-]" 2
49 1 46 ARG O 1 50 LEU H . . 1.800 2.123 2.078 2.191 0.391 12 0 "[ . 1 . 2]" 2
50 1 46 ARG O 1 50 LEU N . . 2.700 2.967 2.885 3.047 0.347 12 0 "[ . 1 . 2]" 2
51 1 47 VAL O 1 51 LEU H . . 1.800 2.175 2.070 2.260 0.460 17 0 "[ . 1 . 2]" 2
52 1 47 VAL O 1 51 LEU N . . 2.700 2.913 2.774 3.062 0.362 20 0 "[ . 1 . 2]" 2
53 1 48 LEU O 1 52 THR H . . 1.800 2.067 1.889 2.215 0.415 13 0 "[ . 1 . 2]" 2
54 1 48 LEU O 1 52 THR N . . 2.700 3.016 2.841 3.180 0.480 13 0 "[ . 1 . 2]" 2
55 1 49 ALA O 1 53 ASP H . . 1.800 2.192 2.033 2.262 0.462 7 0 "[ . 1 . 2]" 2
56 1 49 ALA O 1 53 ASP N . . 2.700 2.798 2.701 2.876 0.176 7 0 "[ . 1 . 2]" 2
57 1 50 LEU O 1 54 GLU H . . 1.800 2.027 1.752 2.081 0.281 5 0 "[ . 1 . 2]" 2
58 1 50 LEU O 1 54 GLU N . . 2.700 2.698 2.550 2.745 0.045 6 0 "[ . 1 . 2]" 2
59 1 69 THR O 1 73 VAL H . . 1.800 5.734 5.094 6.088 4.288 5 20 [****+*****-*********] 2
60 1 69 THR O 1 73 VAL N . . 2.700 6.553 5.771 6.959 4.259 5 20 [****+*****-*********] 2
61 1 70 LYS O 1 74 ALA H . . 1.800 2.114 2.045 2.200 0.400 13 0 "[ . 1 . 2]" 2
62 1 70 LYS O 1 74 ALA N . . 2.700 3.077 2.999 3.168 0.468 13 0 "[ . 1 . 2]" 2
63 1 71 GLU O 1 75 LYS H . . 1.800 1.938 1.792 2.066 0.266 11 0 "[ . 1 . 2]" 2
64 1 71 GLU O 1 75 LYS N . . 2.700 2.869 2.725 3.022 0.322 17 0 "[ . 1 . 2]" 2
65 1 72 ALA O 1 76 ILE H . . 1.800 2.061 2.029 2.113 0.313 16 0 "[ . 1 . 2]" 2
66 1 72 ALA O 1 76 ILE N . . 2.700 2.789 2.727 2.884 0.184 1 0 "[ . 1 . 2]" 2
67 1 73 VAL O 1 77 VAL H . . 1.800 2.117 2.055 2.195 0.395 14 0 "[ . 1 . 2]" 2
68 1 73 VAL O 1 77 VAL N . . 2.700 3.069 3.006 3.137 0.437 14 0 "[ . 1 . 2]" 2
69 1 74 ALA O 1 78 ASP H . . 1.800 2.141 2.091 2.276 0.476 19 0 "[ . 1 . 2]" 2
70 1 74 ALA O 1 78 ASP N . . 2.700 3.076 3.019 3.238 0.538 19 1 "[ . 1 . +2]" 2
71 1 75 LYS O 1 79 ASP H . . 1.800 2.019 1.940 2.085 0.285 9 0 "[ . 1 . 2]" 2
72 1 75 LYS O 1 79 ASP N . . 2.700 2.895 2.799 3.036 0.336 9 0 "[ . 1 . 2]" 2
73 1 76 ILE O 1 80 THR H . . 1.800 2.118 2.048 2.170 0.370 7 0 "[ . 1 . 2]" 2
74 1 76 ILE O 1 80 THR N . . 2.700 3.048 2.958 3.114 0.414 4 0 "[ . 1 . 2]" 2
75 1 77 VAL O 1 81 TYR H . . 1.800 1.873 1.760 2.028 0.228 1 0 "[ . 1 . 2]" 2
76 1 77 VAL O 1 81 TYR N . . 2.700 2.801 2.704 2.969 0.269 4 0 "[ . 1 . 2]" 2
77 1 78 ASP O 1 82 ARG H . . 1.800 2.098 2.047 2.154 0.354 20 0 "[ . 1 . 2]" 2
78 1 78 ASP O 1 82 ARG N . . 2.700 3.001 2.861 3.089 0.389 20 0 "[ . 1 . 2]" 2
79 1 79 ASP O 1 83 LYS H . . 1.800 1.852 1.783 2.008 0.208 5 0 "[ . 1 . 2]" 2
80 1 79 ASP O 1 83 LYS N . . 2.700 2.780 2.698 2.945 0.245 1 0 "[ . 1 . 2]" 2
81 1 80 THR O 1 84 MET H . . 1.800 2.069 2.006 2.140 0.340 1 0 "[ . 1 . 2]" 2
82 1 80 THR O 1 84 MET N . . 2.700 2.953 2.766 3.044 0.344 18 0 "[ . 1 . 2]" 2
83 1 81 TYR O 1 85 GLN H . . 1.800 2.026 1.922 2.147 0.347 6 0 "[ . 1 . 2]" 2
84 1 81 TYR O 1 85 GLN N . . 2.700 2.790 2.677 2.986 0.286 18 0 "[ . 1 . 2]" 2
stop_
save_
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