NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381894 |
1j7q   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j7q
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 727
_Distance_constraint_stats_list.Viol_count 10895
_Distance_constraint_stats_list.Viol_total 109562.281
_Distance_constraint_stats_list.Viol_max 2.054
_Distance_constraint_stats_list.Viol_rms 0.3197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1568
_Distance_constraint_stats_list.Viol_average_violations_only 0.3244
_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 4 LYS 0.004 0.004 4 0 "[ . 1 . 2 . 3 ]"
1 8 LEU 75.285 1.797 22 31 [*********************+**-******]
1 9 GLY 99.946 1.445 5 31 [****+******-*******************]
1 10 PRO 29.898 0.864 26 13 "[ * *** ** - ** 2 * .+ ** ]"
1 11 GLU 72.567 0.843 5 19 "[*-* +****1** *.* *** *.** *3 ]"
1 12 GLU 52.060 1.169 12 25 "[** -*******+ **** *** *** ****]"
1 13 LYS 122.412 1.646 14 31 [***********-*+*****************]
1 14 ASP 65.124 0.843 5 18 "[* * + ** -****** *** *. * * ]"
1 15 GLU 75.163 0.914 17 31 [****************+***********-**]
1 16 CYS 126.600 1.899 28 31 [***************************+-**]
1 17 MET 188.386 1.710 24 31 [**********************-+*******]
1 18 LYS 60.081 1.118 9 30 "[********+*******-* ************]"
1 19 ILE 156.302 2.054 21 31 [**************-*****+**********]
1 20 PHE 416.529 1.954 3 31 [**+************-***************]
1 21 ASP 69.208 1.357 3 31 [**+*******-********************]
1 22 ILE 45.303 0.733 22 10 "[ . **1* .* **2*+ . -3*]"
1 23 PHE 295.222 1.871 20 31 [**************-****+***********]
1 24 ASP 101.193 1.910 10 31 [*********+*-*******************]
1 25 ARG 52.674 0.879 26 18 "[ * *** *** * - * *2 * *.+* ***]"
1 26 ASN 57.861 0.985 9 25 "[********+* * ****- ** * **** **]"
1 27 ALA 28.845 0.891 31 10 "[ - ** * . 2 * *** *+]"
1 28 GLU 78.913 0.985 9 21 "[********+** . - *** **** **]"
1 29 ASN 122.920 1.928 16 31 [***************+************-**]
1 30 ILE 43.700 0.884 27 26 "[** *.***-********* ****** +*** ]"
1 31 ALA 101.509 1.632 5 31 [****+************************-*]
1 32 PRO 16.027 0.368 8 0 "[ . 1 . 2 . 3 ]"
1 33 VAL 95.534 1.548 26 28 "[****** ******-*****2****.+*****]"
1 34 SER 24.095 0.461 25 0 "[ . 1 . 2 . 3 ]"
1 35 ASP 105.551 1.251 10 31 [*********+**********-**********]
1 36 THR 112.671 1.886 13 31 [************+*-****************]
1 37 MET 78.972 1.066 15 29 "[*************-+****2****** ****]"
1 38 ASP 63.659 1.653 18 31 [**********-******+*************]
1 39 MET 88.744 1.687 3 31 [**+***********-****************]
1 40 LEU 143.780 1.747 19 31 [******************+***********-]
1 41 THR 50.234 1.733 5 30 "[****+***************** ******-*]"
1 42 LYS 20.946 0.437 20 0 "[ . 1 . 2 . 3 ]"
1 43 LEU 96.947 2.054 21 31 [****************-***+**********]
1 44 GLY 24.040 0.854 30 5 "[ * **1 . - . + ]"
1 45 GLN 2.305 0.223 16 0 "[ . 1 . 2 . 3 ]"
1 46 THR 141.111 1.680 30 31 [*****-***********************+*]
1 47 TYR 418.971 1.870 6 31 [*****+************-************]
1 48 THR 2.754 0.202 11 0 "[ . 1 . 2 . 3 ]"
1 51 GLU 0.945 0.076 16 0 "[ . 1 . 2 . 3 ]"
1 52 THR 89.640 1.318 27 31 [*************-************+****]
1 53 GLU 14.282 0.318 6 0 "[ . 1 . 2 . 3 ]"
1 54 ALA 15.028 0.355 6 0 "[ . 1 . 2 . 3 ]"
1 55 ILE 180.273 1.677 20 31 [*******************+*****-*****]
1 56 MET 134.008 1.360 25 31 [************************+-*****]
1 57 LYS 11.102 0.284 12 0 "[ . 1 . 2 . 3 ]"
1 58 GLU 41.533 1.554 12 31 [-**********+*******************]
1 59 ALA 116.075 1.444 20 31 [*******************+*-*********]
1 60 ARG 45.051 1.125 26 21 "[*** ** ***** **** *2** -.+* 3*]"
1 61 GLY 103.893 1.793 18 31 [****************-+*************]
1 62 PRO 3.063 0.674 18 2 "[ . 1 . -+ 2 . 3 ]"
1 63 LYS 8.529 0.504 27 1 "[ . 1 . 2 . + 3 ]"
1 64 GLY 54.081 1.793 18 30 "[** **************+********-****]"
1 65 ASP 7.974 0.322 18 0 "[ . 1 . 2 . 3 ]"
1 66 LYS 5.547 0.387 24 0 "[ . 1 . 2 . 3 ]"
1 67 LYS 24.640 1.480 19 18 "[- * ** * *** ** **+* **.** 3 ]"
1 68 ASN 62.394 0.884 27 26 "[** *.***-********* ****** +*** ]"
1 69 ILE 89.647 1.250 12 30 "[****-******+************** ****]"
1 70 GLY 69.299 1.291 4 22 "[***+-******* .*** 2***** ** ]"
1 71 PRO 72.151 1.678 29 29 "[**********-** ************* +**]"
1 72 GLU 34.722 0.855 29 25 "[******-****** .****** **.** +3*]"
1 73 GLU 53.411 0.749 21 31 [********************+-*********]
1 74 TRP 312.596 1.811 26 31 [****************-********+*****]
1 75 LEU 273.524 1.954 3 31 [**+*******************-********]
1 76 THR 12.806 0.308 15 0 "[ . 1 . 2 . 3 ]"
1 77 LEU 162.296 1.554 12 31 [***********+***************-***]
1 78 CYS 33.272 1.050 18 31 [**-**************+*************]
1 79 SER 61.186 1.050 18 31 [*****-***********+*************]
1 80 LYS 41.411 0.802 8 20 "[* * .- +******** *2 * *** **3*]"
1 81 TRP 174.081 1.870 6 31 [*****+*********************-***]
1 82 VAL 49.756 1.663 25 23 "[******** *** -*** ** *+*** 3*]"
1 84 GLN 2.136 0.494 13 0 "[ . 1 . 2 . 3 ]"
1 85 ASP 11.816 0.802 16 10 "[ **.** 1 .+ *-2 . ***3 ]"
1 86 ASP 0.326 0.062 14 0 "[ . 1 . 2 . 3 ]"
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 60 ARG H 1 61 GLY H 5.000 3.700 5.000 3.736 3.681 4.016 0.019 16 0 "[ . 1 . 2 . 3 ]" 1
2 1 63 LYS H 1 64 GLY H 2.900 . 2.900 2.190 1.797 2.968 0.068 14 0 "[ . 1 . 2 . 3 ]" 1
3 1 64 GLY H 1 66 LYS H 5.000 3.700 5.000 4.657 3.697 5.387 0.387 24 0 "[ . 1 . 2 . 3 ]" 1
4 1 64 GLY H 1 65 ASP H 3.700 2.900 3.700 3.080 2.895 3.772 0.072 10 0 "[ . 1 . 2 . 3 ]" 1
5 1 63 LYS HA 1 64 GLY H 3.700 2.900 3.700 3.466 2.893 3.574 0.007 27 0 "[ . 1 . 2 . 3 ]" 1
6 1 61 GLY QA 1 64 GLY H 5.000 3.700 5.000 3.669 3.292 4.425 0.408 18 0 "[ . 1 . 2 . 3 ]" 1
7 1 63 LYS HB3 1 64 GLY H 3.700 2.900 3.700 3.197 2.891 4.204 0.504 27 1 "[ . 1 . 2 . + 3 ]" 1
8 1 63 LYS HB2 1 64 GLY H 3.700 2.900 3.700 3.762 2.894 4.104 0.404 24 0 "[ . 1 . 2 . 3 ]" 1
9 1 43 LEU H 1 44 GLY H 2.900 . 2.900 2.368 2.039 2.915 0.015 31 0 "[ . 1 . 2 . 3 ]" 1
10 1 44 GLY H 1 45 GLN H 2.900 . 2.900 2.572 1.796 3.091 0.191 17 0 "[ . 1 . 2 . 3 ]" 1
11 1 43 LEU HA 1 44 GLY H 3.700 2.900 3.700 3.459 3.287 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 42 LYS HA 1 44 GLY H 3.700 2.900 3.700 3.858 3.779 3.953 0.253 5 0 "[ . 1 . 2 . 3 ]" 1
13 1 44 GLY H 1 44 GLY HA3 2.900 . 2.900 2.934 2.788 3.061 0.161 13 0 "[ . 1 . 2 . 3 ]" 1
14 1 44 GLY H 1 44 GLY HA2 3.000 . 3.000 2.766 2.401 3.031 0.031 30 0 "[ . 1 . 2 . 3 ]" 1
15 1 43 LEU QB 1 44 GLY H 3.700 2.900 3.700 3.292 2.675 3.941 0.241 30 0 "[ . 1 . 2 . 3 ]" 1
16 1 43 LEU HG 1 44 GLY H 5.000 3.700 5.000 4.081 3.695 5.055 0.055 26 0 "[ . 1 . 2 . 3 ]" 1
17 1 42 LYS QG 1 44 GLY H 5.000 3.700 5.000 5.105 4.357 5.437 0.437 20 0 "[ . 1 . 2 . 3 ]" 1
18 1 43 LEU QD 1 44 GLY H 5.000 3.700 5.000 3.796 2.846 4.365 0.854 30 5 "[ * **1 . - . + ]" 1
19 1 68 ASN HB2 1 70 GLY H 5.500 3.700 5.500 4.411 4.070 4.778 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 68 ASN HB3 1 70 GLY H 5.500 3.700 5.500 5.708 5.354 5.823 0.323 5 0 "[ . 1 . 2 . 3 ]" 1
21 1 59 ALA H 1 60 ARG H 3.700 2.900 3.700 3.492 3.058 3.871 0.171 21 0 "[ . 1 . 2 . 3 ]" 1
22 1 60 ARG H 1 61 GLY QA 5.000 3.700 5.000 4.955 4.277 5.295 0.295 25 0 "[ . 1 . 2 . 3 ]" 1
23 1 60 ARG H 1 60 ARG HA 3.700 2.900 3.700 2.954 2.874 3.101 0.026 16 0 "[ . 1 . 2 . 3 ]" 1
24 1 59 ALA HA 1 60 ARG H 3.700 2.900 3.700 3.559 3.404 3.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 60 ARG H 1 60 ARG QD 5.000 3.700 5.000 4.533 4.040 4.874 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 59 ALA MB 1 60 ARG H 2.900 . 2.900 2.388 1.849 3.098 0.198 25 0 "[ . 1 . 2 . 3 ]" 1
27 1 60 ARG H 1 60 ARG QB 2.900 . 2.900 2.372 2.061 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 60 ARG H 1 60 ARG QG 3.700 2.900 3.700 4.107 3.418 4.333 0.633 21 9 "[** * ** . 2+* -. 3*]" 1
29 1 29 ASN H 1 30 ILE H 2.900 . 2.900 2.635 1.796 3.166 0.266 22 0 "[ . 1 . 2 . 3 ]" 1
30 1 28 GLU H 1 30 ILE H 5.000 3.700 5.000 4.536 3.743 5.160 0.160 29 0 "[ . 1 . 2 . 3 ]" 1
31 1 30 ILE H 1 31 ALA H 5.000 3.700 5.000 3.877 3.696 4.234 0.004 23 0 "[ . 1 . 2 . 3 ]" 1
32 1 30 ILE H 1 30 ILE HA 3.000 . 3.000 3.013 2.891 3.070 0.070 25 0 "[ . 1 . 2 . 3 ]" 1
33 1 29 ASN HA 1 30 ILE H 3.700 2.900 3.700 3.181 2.895 3.500 0.005 31 0 "[ . 1 . 2 . 3 ]" 1
34 1 29 ASN QB 1 30 ILE H 5.000 3.700 5.000 3.691 3.295 4.081 0.405 15 0 "[ . 1 . 2 . 3 ]" 1
35 1 8 LEU HA 1 9 GLY H 2.900 . 2.900 2.492 2.057 2.955 0.055 2 0 "[ . 1 . 2 . 3 ]" 1
36 1 9 GLY H 1 10 PRO QD 5.000 3.700 5.000 3.530 2.836 4.403 0.864 26 12 "[ * *** ** - * 2 * .+ ** ]" 1
37 1 8 LEU HG 1 9 GLY H 3.700 2.900 3.700 3.515 2.896 3.954 0.254 30 0 "[ . 1 . 2 . 3 ]" 1
38 1 8 LEU QB 1 9 GLY H 2.900 . 2.900 2.260 1.585 3.058 0.215 22 0 "[ . 1 . 2 . 3 ]" 1
39 1 8 LEU QD 1 9 GLY H 3.700 2.900 3.700 1.842 1.455 3.491 1.445 5 30 "[****+************* **********-*]" 1
40 1 26 ASN QB 1 26 ASN HD21 3.700 2.900 3.700 2.795 2.770 2.815 0.130 14 0 "[ . 1 . 2 . 3 ]" 1
41 1 78 CYS H 1 79 SER H 3.000 2.600 3.000 2.850 2.616 3.057 0.057 2 0 "[ . 1 . 2 . 3 ]" 1
42 1 79 SER H 1 81 TRP H 4.400 4.000 4.400 4.067 3.993 4.378 0.007 2 0 "[ . 1 . 2 . 3 ]" 1
43 1 79 SER H 1 80 LYS H 3.000 2.600 3.000 2.710 2.595 2.969 0.005 23 0 "[ . 1 . 2 . 3 ]" 1
44 1 78 CYS HA 1 79 SER H 3.700 3.300 3.700 3.595 3.541 3.664 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 76 THR HA 1 79 SER H 3.600 3.200 3.600 3.268 3.192 3.436 0.008 2 0 "[ . 1 . 2 . 3 ]" 1
46 1 76 THR HB 1 79 SER H 5.000 3.700 5.000 5.140 5.008 5.308 0.308 15 0 "[ . 1 . 2 . 3 ]" 1
47 1 77 LEU HA 1 79 SER H 4.600 4.200 4.600 4.414 4.198 4.651 0.051 12 0 "[ . 1 . 2 . 3 ]" 1
48 1 78 CYS QB 1 79 SER H . 3.700 3.700 2.817 2.650 2.971 1.050 18 31 [**-**************+*************] 1
49 1 33 VAL H 1 34 SER H 3.000 2.600 3.000 3.092 2.782 3.204 0.204 10 0 "[ . 1 . 2 . 3 ]" 1
50 1 34 SER H 1 35 ASP H 3.000 2.600 3.000 2.867 2.598 3.043 0.043 19 0 "[ . 1 . 2 . 3 ]" 1
51 1 32 PRO HA 1 34 SER H 5.000 3.700 5.000 4.903 4.729 5.022 0.022 26 0 "[ . 1 . 2 . 3 ]" 1
52 1 34 SER H 1 34 SER HA 2.900 . 2.900 2.877 2.787 2.975 0.075 20 0 "[ . 1 . 2 . 3 ]" 1
53 1 34 SER H 1 34 SER QB 3.700 2.900 3.700 2.628 2.544 2.770 0.356 19 0 "[ . 1 . 2 . 3 ]" 1
54 1 33 VAL HA 1 34 SER H 3.700 3.300 3.700 3.590 3.572 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 33 VAL HB 1 34 SER H 3.700 2.900 3.700 3.088 2.894 3.837 0.137 4 0 "[ . 1 . 2 . 3 ]" 1
56 1 33 VAL QG 1 34 SER H 2.900 . 2.900 2.180 1.771 3.361 0.461 25 0 "[ . 1 . 2 . 3 ]" 1
57 1 32 PRO HB3 1 34 SER H 5.000 3.700 5.000 4.656 4.605 4.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 32 PRO HB2 1 34 SER H 3.700 2.900 3.700 2.911 2.892 3.108 0.008 15 0 "[ . 1 . 2 . 3 ]" 1
59 1 37 MET H 1 38 ASP H 3.000 2.600 3.000 2.880 2.624 3.031 0.031 27 0 "[ . 1 . 2 . 3 ]" 1
60 1 36 THR H 1 37 MET H 3.000 2.600 3.000 2.981 2.657 3.089 0.089 26 0 "[ . 1 . 2 . 3 ]" 1
61 1 36 THR HA 1 37 MET H 3.700 3.300 3.700 3.604 3.567 3.645 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 35 ASP HA 1 37 MET H 4.600 4.200 4.600 4.446 4.199 4.682 0.082 10 0 "[ . 1 . 2 . 3 ]" 1
63 1 37 MET H 1 37 MET HA 3.700 2.900 3.700 2.921 2.894 2.990 0.006 8 0 "[ . 1 . 2 . 3 ]" 1
64 1 36 THR HB 1 37 MET H 3.700 2.900 3.700 2.897 2.893 2.899 0.007 21 0 "[ . 1 . 2 . 3 ]" 1
65 1 34 SER HA 1 37 MET H 3.600 3.200 3.600 3.211 3.189 3.388 0.011 16 0 "[ . 1 . 2 . 3 ]" 1
66 1 33 VAL HA 1 37 MET H 5.000 3.700 5.000 4.378 4.223 4.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 37 MET H 1 37 MET QG . 2.900 2.900 2.550 2.002 3.225 0.898 16 18 "[******* 1 **.+- *2 ** * *** ]" 1
68 1 37 MET H 1 37 MET HB3 3.700 2.900 3.700 3.761 3.716 3.816 0.116 13 0 "[ . 1 . 2 . 3 ]" 1
69 1 37 MET H 1 37 MET HB2 2.900 . 2.900 2.801 2.587 3.054 0.154 13 0 "[ . 1 . 2 . 3 ]" 1
70 1 33 VAL QG 1 37 MET H 5.000 3.700 5.000 4.456 3.568 4.831 0.132 12 0 "[ . 1 . 2 . 3 ]" 1
71 1 36 THR HG1 1 37 MET H 5.000 3.700 5.000 3.535 3.263 3.783 0.437 12 0 "[ . 1 . 2 . 3 ]" 1
72 1 81 TRP H 1 82 VAL H 3.000 2.600 3.000 2.689 2.598 2.962 0.002 7 0 "[ . 1 . 2 . 3 ]" 1
73 1 81 TRP H 1 81 TRP HD1 3.700 2.900 3.700 3.169 2.896 3.668 0.004 2 0 "[ . 1 . 2 . 3 ]" 1
74 1 80 LYS H 1 81 TRP H 3.000 2.600 3.000 2.647 2.592 3.017 0.017 30 0 "[ . 1 . 2 . 3 ]" 1
75 1 81 TRP H 1 81 TRP HA 3.700 2.900 3.700 2.957 2.893 3.013 0.007 9 0 "[ . 1 . 2 . 3 ]" 1
76 1 80 LYS HA 1 81 TRP H 3.700 3.300 3.700 3.547 3.430 3.580 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 79 SER HA 1 81 TRP H 4.600 4.200 4.600 4.533 4.200 4.668 0.068 10 0 "[ . 1 . 2 . 3 ]" 1
78 1 78 CYS HA 1 81 TRP H 3.600 3.200 3.600 3.540 3.197 3.716 0.116 20 0 "[ . 1 . 2 . 3 ]" 1
79 1 81 TRP H 1 81 TRP HB2 2.900 . 2.900 2.354 2.234 2.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 81 TRP H 1 81 TRP HB3 3.700 2.900 3.700 3.579 3.416 3.718 0.018 16 0 "[ . 1 . 2 . 3 ]" 1
81 1 45 GLN H 1 46 THR H 3.700 2.900 3.700 3.170 2.893 3.777 0.077 20 0 "[ . 1 . 2 . 3 ]" 1
82 1 46 THR H 1 47 TYR QE 5.000 3.700 5.000 5.717 4.259 6.548 1.548 24 25 "[*******-*** *** ***2***+.** *3*]" 1
83 1 46 THR H 1 47 TYR QD 5.000 3.700 5.000 5.676 4.668 6.264 1.264 21 23 "[* **** ***-**. ****+***.** *3*]" 1
84 1 46 THR H 1 46 THR HA 2.900 . 2.900 2.810 2.363 3.053 0.153 20 0 "[ . 1 . 2 . 3 ]" 1
85 1 46 THR H 1 46 THR HB 3.700 2.900 3.700 3.698 2.915 3.946 0.246 30 0 "[ . 1 . 2 . 3 ]" 1
86 1 46 THR H 1 46 THR HG1 3.700 2.900 3.700 2.483 1.978 2.874 0.922 18 13 "[* * ** * * . -+ **** * 3 ]" 1
87 1 68 ASN HB2 1 68 ASN QD 3.700 2.900 3.700 2.764 2.579 3.137 0.321 15 0 "[ . 1 . 2 . 3 ]" 1
88 1 26 ASN H 1 28 GLU H 5.000 3.700 5.000 3.753 3.692 3.997 0.008 6 0 "[ . 1 . 2 . 3 ]" 1
89 1 26 ASN H 1 27 ALA H 2.900 . 2.900 2.417 1.797 3.045 0.145 31 0 "[ . 1 . 2 . 3 ]" 1
90 1 25 ARG H 1 26 ASN H 2.900 . 2.900 2.851 1.800 3.390 0.490 10 0 "[ . 1 . 2 . 3 ]" 1
91 1 24 ASP HA 1 26 ASN H 5.000 3.700 5.000 4.499 3.988 5.044 0.044 30 0 "[ . 1 . 2 . 3 ]" 1
92 1 26 ASN H 1 26 ASN HA 3.000 . 3.000 2.793 2.535 3.071 0.071 26 0 "[ . 1 . 2 . 3 ]" 1
93 1 26 ASN H 1 27 ALA HA 5.000 3.700 5.000 4.014 3.842 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 25 ARG HA 1 26 ASN H 3.700 2.900 3.700 3.130 2.894 3.597 0.006 13 0 "[ . 1 . 2 . 3 ]" 1
95 1 26 ASN H 1 26 ASN QB 3.700 3.700 3.700 3.317 2.963 3.625 0.737 15 12 "[* .** 1 * *+* 2 * **-* 3 ]" 1
96 1 25 ARG QB 1 26 ASN H 3.700 2.900 3.700 3.682 2.711 4.099 0.399 4 0 "[ . 1 . 2 . 3 ]" 1
97 1 25 ARG QG 1 26 ASN H 5.000 3.700 5.000 4.284 2.860 4.785 0.840 17 1 "[ . 1 . + 2 . 3 ]" 1
98 1 26 ASN H 1 27 ALA MB 5.000 3.700 5.000 4.440 3.680 4.941 0.020 25 0 "[ . 1 . 2 . 3 ]" 1
99 1 63 LYS H 1 65 ASP H 5.000 3.700 5.000 4.609 3.695 5.084 0.084 3 0 "[ . 1 . 2 . 3 ]" 1
100 1 63 LYS H 1 63 LYS HA 3.700 2.900 3.700 3.029 2.846 3.096 0.054 14 0 "[ . 1 . 2 . 3 ]" 1
101 1 63 LYS H 1 63 LYS HB3 3.700 2.900 3.700 3.249 2.897 3.913 0.213 11 0 "[ . 1 . 2 . 3 ]" 1
102 1 63 LYS H 1 63 LYS HB2 3.700 2.900 3.700 3.060 2.886 3.799 0.099 9 0 "[ . 1 . 2 . 3 ]" 1
103 1 20 PHE H 1 21 ASP H 3.000 2.600 3.000 2.995 2.781 3.134 0.134 24 0 "[ . 1 . 2 . 3 ]" 1
104 1 21 ASP H 1 22 ILE H 3.000 2.600 3.000 2.625 2.595 2.744 0.005 7 0 "[ . 1 . 2 . 3 ]" 1
105 1 20 PHE QD 1 21 ASP H 3.700 2.900 3.700 4.165 3.618 4.733 1.033 14 12 "[ * .** 1-* +.* *2*** . * 3 ]" 1
106 1 21 ASP H 1 21 ASP HA 3.700 2.900 3.700 2.984 2.951 3.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 20 PHE HA 1 21 ASP H 3.700 3.300 3.700 3.544 3.508 3.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 21 ASP H 1 21 ASP QB 2.900 . 2.900 2.305 2.260 2.371 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 51 GLU H 1 52 THR H 3.000 2.600 3.000 2.744 2.598 3.047 0.047 9 0 "[ . 1 . 2 . 3 ]" 1
110 1 52 THR H 1 53 GLU H 3.000 2.600 3.000 2.909 2.598 3.085 0.085 6 0 "[ . 1 . 2 . 3 ]" 1
111 1 52 THR H 1 54 ALA H 4.400 4.000 4.400 4.222 3.998 4.468 0.068 28 0 "[ . 1 . 2 . 3 ]" 1
112 1 52 THR H 1 52 THR HB 3.700 2.900 3.700 3.406 3.160 3.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 52 THR H 1 52 THR HA 2.900 . 2.900 2.889 2.759 3.018 0.118 15 0 "[ . 1 . 2 . 3 ]" 1
114 1 52 THR H 1 52 THR HG1 5.000 3.700 5.000 2.546 2.443 2.640 1.257 28 31 [************************-**+***] 1
115 1 55 ILE H 1 56 MET H 3.000 2.600 3.000 3.041 2.923 3.122 0.122 6 0 "[ . 1 . 2 . 3 ]" 1
116 1 56 MET H 1 57 LYS H 3.000 2.600 3.000 2.827 2.690 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 56 MET H 1 56 MET HA 3.700 2.900 3.700 2.932 2.901 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 54 ALA HA 1 56 MET H 4.600 4.200 4.600 4.598 4.506 4.662 0.062 30 0 "[ . 1 . 2 . 3 ]" 1
119 1 53 GLU HA 1 56 MET H 3.600 3.200 3.600 3.197 3.192 3.210 0.008 30 0 "[ . 1 . 2 . 3 ]" 1
120 1 52 THR HA 1 56 MET H 5.000 3.700 5.000 4.250 4.111 4.463 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 55 ILE HA 1 56 MET H 3.700 3.300 3.700 3.527 3.490 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 56 MET H 1 56 MET HB2 2.900 . 2.900 2.646 2.436 3.231 0.331 27 0 "[ . 1 . 2 . 3 ]" 1
123 1 56 MET H 1 56 MET HB3 3.700 2.900 3.700 3.693 3.660 3.739 0.039 7 0 "[ . 1 . 2 . 3 ]" 1
124 1 56 MET H 1 56 MET HG3 2.900 . 2.900 2.741 2.220 3.898 0.998 6 7 "[ .+* 1 . 2 ** -** 3 ]" 1
125 1 56 MET H 1 56 MET HG2 3.700 2.900 3.700 3.615 1.992 3.893 0.908 25 3 "[ . * 1 . 2 + - 3 ]" 1
126 1 55 ILE HB 1 56 MET H 2.900 . 2.900 2.148 1.914 2.398 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 55 ILE MG 1 56 MET H 3.700 2.900 3.700 2.939 2.783 3.138 0.117 6 0 "[ . 1 . 2 . 3 ]" 1
128 1 55 ILE HG13 1 56 MET H 5.000 3.700 5.000 4.100 3.850 4.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 55 ILE MD 1 56 MET H 5.000 3.700 5.000 4.154 3.812 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 55 ILE HG12 1 56 MET H 5.000 3.700 5.000 4.710 4.596 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 72 GLU H 1 74 TRP H 4.400 4.000 4.400 4.524 4.317 4.763 0.363 8 0 "[ . 1 . 2 . 3 ]" 1
132 1 70 GLY H 1 72 GLU H 5.000 3.700 5.000 5.154 5.005 5.270 0.270 22 0 "[ . 1 . 2 . 3 ]" 1
133 1 72 GLU H 1 73 GLU H 3.000 2.600 3.000 2.591 2.581 2.597 0.019 8 0 "[ . 1 . 2 . 3 ]" 1
134 1 72 GLU H 1 72 GLU HA 3.000 . 3.000 3.047 3.020 3.065 0.065 30 0 "[ . 1 . 2 . 3 ]" 1
135 1 16 CYS H 1 17 MET H 3.000 2.600 3.000 2.880 2.593 3.075 0.075 16 0 "[ . 1 . 2 . 3 ]" 1
136 1 15 GLU H 1 16 CYS H 3.000 2.600 3.000 2.946 2.599 3.172 0.172 20 0 "[ . 1 . 2 . 3 ]" 1
137 1 14 ASP HA 1 16 CYS H 4.600 4.200 4.600 4.671 4.508 4.849 0.249 9 0 "[ . 1 . 2 . 3 ]" 1
138 1 15 GLU HA 1 16 CYS H 3.700 3.300 3.700 3.527 3.467 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 16 CYS H 1 16 CYS HA 2.900 . 2.900 2.945 2.858 3.046 0.146 29 0 "[ . 1 . 2 . 3 ]" 1
140 1 16 CYS H 1 16 CYS QB 3.700 3.700 3.700 2.707 2.569 2.899 1.131 29 31 [************-***************+**] 1
141 1 14 ASP QB 1 16 CYS H 5.000 3.700 5.000 5.054 4.887 5.242 0.242 17 0 "[ . 1 . 2 . 3 ]" 1
142 1 15 GLU QG 1 16 CYS H 3.700 2.900 3.700 4.267 4.125 4.374 0.674 20 28 "[*********** ***** *+****.***-**]" 1
143 1 15 GLU QB 1 16 CYS H 2.900 . 2.900 2.481 2.364 2.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 65 ASP H 1 66 LYS H 2.900 . 2.900 2.382 1.800 2.916 0.016 24 0 "[ . 1 . 2 . 3 ]" 1
145 1 65 ASP H 1 65 ASP HA 3.700 2.900 3.700 2.991 2.855 3.075 0.045 24 0 "[ . 1 . 2 . 3 ]" 1
146 1 63 LYS HA 1 65 ASP H 5.000 3.700 5.000 4.526 3.697 5.131 0.131 4 0 "[ . 1 . 2 . 3 ]" 1
147 1 65 ASP H 1 66 LYS HA 5.000 3.700 5.000 4.864 4.123 5.214 0.214 10 0 "[ . 1 . 2 . 3 ]" 1
148 1 64 GLY QA 1 65 ASP H 3.700 2.900 3.700 2.811 2.769 2.963 0.131 21 0 "[ . 1 . 2 . 3 ]" 1
149 1 65 ASP H 1 65 ASP QB 3.700 2.900 3.700 2.973 2.578 3.393 0.322 18 0 "[ . 1 . 2 . 3 ]" 1
150 1 31 ALA H 1 69 ILE H 2.900 . 2.900 3.005 2.934 3.053 0.153 27 0 "[ . 1 . 2 . 3 ]" 1
151 1 68 ASN HA 1 69 ILE H 2.900 . 2.900 2.382 2.213 2.483 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 30 ILE HA 1 69 ILE H 5.000 3.700 5.000 4.055 3.728 4.266 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 32 PRO HA 1 69 ILE H 2.900 . 2.900 2.858 2.620 3.041 0.141 26 0 "[ . 1 . 2 . 3 ]" 1
154 1 68 ASN HB2 1 69 ILE H 2.900 . 2.900 2.669 2.134 2.983 0.083 31 0 "[ . 1 . 2 . 3 ]" 1
155 1 68 ASN HB3 1 69 ILE H 2.900 . 2.900 2.685 2.206 2.971 0.071 30 0 "[ . 1 . 2 . 3 ]" 1
156 1 11 GLU H 1 12 GLU H 3.000 2.600 3.000 2.794 2.591 3.236 0.236 24 0 "[ . 1 . 2 . 3 ]" 1
157 1 9 GLY QA 1 11 GLU H 5.000 3.700 5.000 3.729 3.291 4.321 0.409 31 0 "[ . 1 . 2 . 3 ]" 1
158 1 11 GLU H 1 11 GLU HA 2.900 . 2.900 2.941 2.714 3.060 0.160 29 0 "[ . 1 . 2 . 3 ]" 1
159 1 10 PRO QD 1 11 GLU H 3.700 2.900 3.700 2.900 2.194 4.025 0.706 7 4 "[ .-+ *1 .* 2 . 3 ]" 1
160 1 11 GLU H 1 11 GLU HG3 2.900 . 2.900 2.913 1.797 3.407 0.507 2 1 "[ + . 1 . 2 . 3 ]" 1
161 1 11 GLU H 1 11 GLU HG2 2.900 . 2.900 2.338 1.791 3.223 0.323 25 0 "[ . 1 . 2 . 3 ]" 1
162 1 10 PRO QB 1 11 GLU H 3.700 2.900 3.700 2.858 2.243 3.410 0.657 26 2 "[ . 1 . 2 .+ -3 ]" 1
163 1 11 GLU H 1 11 GLU QB 2.900 . 2.900 2.700 2.136 3.113 0.213 29 0 "[ . 1 . 2 . 3 ]" 1
164 1 10 PRO QG 1 11 GLU H 2.900 . 2.900 3.213 2.514 3.443 0.543 26 2 "[ . 1 . 2 .+ -3 ]" 1
165 1 40 LEU H 1 41 THR H 3.000 2.600 3.000 2.713 2.594 2.969 0.006 2 0 "[ . 1 . 2 . 3 ]" 1
166 1 41 THR H 1 42 LYS H 3.000 2.600 3.000 2.798 2.599 3.026 0.026 3 0 "[ . 1 . 2 . 3 ]" 1
167 1 41 THR H 1 43 LEU H 5.000 3.700 5.000 4.351 4.010 5.004 0.004 5 0 "[ . 1 . 2 . 3 ]" 1
168 1 41 THR H 1 41 THR HB 2.900 . 2.900 2.791 2.294 2.944 0.044 5 0 "[ . 1 . 2 . 3 ]" 1
169 1 40 LEU HA 1 41 THR H 3.700 3.300 3.700 3.518 3.444 3.598 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 41 THR H 1 41 THR HA 2.900 . 2.900 2.936 2.843 2.989 0.089 27 0 "[ . 1 . 2 . 3 ]" 1
171 1 41 THR H 1 41 THR HG1 5.000 3.700 5.000 2.134 1.967 3.212 1.733 5 30 "[****+***************** ******-*]" 1
172 1 40 LEU QD 1 41 THR H 5.000 3.700 5.000 4.221 4.053 4.394 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 77 LEU H 1 78 CYS H 3.000 2.600 3.000 2.771 2.594 3.012 0.012 5 0 "[ . 1 . 2 . 3 ]" 1
174 1 78 CYS H 1 80 LYS H 4.400 4.000 4.400 4.429 4.224 4.551 0.151 8 0 "[ . 1 . 2 . 3 ]" 1
175 1 77 LEU HA 1 78 CYS H 3.700 3.300 3.700 3.601 3.529 3.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
176 1 75 LEU HA 1 78 CYS H 3.600 3.200 3.600 3.255 3.190 3.544 0.010 9 0 "[ . 1 . 2 . 3 ]" 1
177 1 76 THR HA 1 78 CYS H 4.600 4.200 4.600 4.638 4.565 4.743 0.143 30 0 "[ . 1 . 2 . 3 ]" 1
178 1 78 CYS H 1 78 CYS HA 2.900 . 2.900 2.909 2.852 2.954 0.054 4 0 "[ . 1 . 2 . 3 ]" 1
179 1 75 LEU QD 1 78 CYS H 5.000 3.700 5.000 4.074 3.743 4.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 35 ASP H 1 36 THR H 3.000 2.600 3.000 2.731 2.598 3.006 0.006 8 0 "[ . 1 . 2 . 3 ]" 1
181 1 36 THR H 1 39 MET H 5.000 3.700 5.000 4.791 4.573 5.065 0.065 8 0 "[ . 1 . 2 . 3 ]" 1
182 1 36 THR H 1 36 THR HA 2.900 . 2.900 2.897 2.816 3.000 0.100 27 0 "[ . 1 . 2 . 3 ]" 1
183 1 35 ASP HA 1 36 THR H 3.700 3.300 3.700 3.591 3.515 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 34 SER HA 1 36 THR H 4.600 4.200 4.600 4.531 4.198 4.710 0.110 3 0 "[ . 1 . 2 . 3 ]" 1
185 1 36 THR H 1 36 THR HB 2.900 . 2.900 2.666 2.418 2.930 0.030 30 0 "[ . 1 . 2 . 3 ]" 1
186 1 33 VAL HA 1 36 THR H 3.600 3.200 3.600 3.284 3.194 3.508 0.006 21 0 "[ . 1 . 2 . 3 ]" 1
187 1 35 ASP QB 1 36 THR H 3.700 3.700 3.700 2.877 2.671 3.303 1.029 9 30 [********+*****-**************3*] 1
188 1 36 THR H 1 36 THR HG1 5.000 3.700 5.000 3.100 1.814 3.461 1.886 13 9 "[-** . * *+ ** 2 . * ]" 1
189 1 33 VAL QG 1 36 THR H 5.000 3.700 5.000 4.339 3.829 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 40 LEU H 1 42 LYS H 4.400 4.000 4.400 4.356 4.000 4.465 0.065 26 0 "[ . 1 . 2 . 3 ]" 1
191 1 37 MET HA 1 40 LEU H 3.600 3.200 3.600 3.726 3.635 3.790 0.190 13 0 "[ . 1 . 2 . 3 ]" 1
192 1 40 LEU H 1 40 LEU HA 2.900 . 2.900 2.995 2.914 3.052 0.152 6 0 "[ . 1 . 2 . 3 ]" 1
193 1 40 LEU H 1 40 LEU QD 5.000 3.700 5.000 2.820 2.506 3.386 1.194 13 28 "[************+*** ****** **** *-]" 1
194 1 68 ASN H 1 69 ILE H 5.000 3.700 5.000 4.402 4.278 4.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 66 LYS H 1 68 ASN H 6.000 3.700 6.000 5.308 3.691 6.130 0.130 24 0 "[ . 1 . 2 . 3 ]" 1
196 1 68 ASN H 1 68 ASN HA 3.700 2.900 3.700 2.996 2.894 3.089 0.006 18 0 "[ . 1 . 2 . 3 ]" 1
197 1 68 ASN H 1 68 ASN HB2 5.000 3.700 5.000 3.660 3.217 4.083 0.483 3 0 "[ . 1 . 2 . 3 ]" 1
198 1 68 ASN H 1 68 ASN HB3 3.700 2.900 3.700 4.101 3.850 4.234 0.534 6 3 "[ .+ 1 . 2 . *-3 ]" 1
199 1 20 PHE H 1 22 ILE H 4.400 4.000 4.400 4.275 4.083 4.445 0.045 21 0 "[ . 1 . 2 . 3 ]" 1
200 1 21 ASP HA 1 22 ILE H 3.700 3.300 3.700 3.484 3.444 3.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 18 LYS HA 1 22 ILE H 5.000 3.700 5.000 4.260 3.748 4.497 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 22 ILE H 1 22 ILE HA 2.900 . 2.900 3.056 3.044 3.069 0.169 31 0 "[ . 1 . 2 . 3 ]" 1
203 1 20 PHE HA 1 22 ILE H 4.600 4.200 4.600 4.391 4.198 4.553 0.002 3 0 "[ . 1 . 2 . 3 ]" 1
204 1 21 ASP QB 1 22 ILE H 3.700 2.900 3.700 2.840 2.811 2.958 0.089 9 0 "[ . 1 . 2 . 3 ]" 1
205 1 22 ILE H 1 22 ILE HB 3.700 2.900 3.700 2.890 2.884 2.894 0.016 23 0 "[ . 1 . 2 . 3 ]" 1
206 1 22 ILE H 1 22 ILE HG12 5.000 3.700 5.000 4.219 4.063 4.312 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 22 ILE H 1 22 ILE HG13 3.700 2.900 3.700 2.893 2.890 2.897 0.010 4 0 "[ . 1 . 2 . 3 ]" 1
208 1 22 ILE H 1 22 ILE MG 3.700 2.900 3.700 4.032 4.019 4.042 0.342 3 0 "[ . 1 . 2 . 3 ]" 1
209 1 22 ILE H 1 22 ILE MD 5.000 3.700 5.000 3.694 2.967 4.092 0.733 22 5 "[ . * 1 . 2*+ . -3*]" 1
210 1 13 LYS H 1 14 ASP H 3.000 2.600 3.000 2.816 2.595 3.084 0.084 22 0 "[ . 1 . 2 . 3 ]" 1
211 1 14 ASP H 1 16 CYS H 4.400 4.000 4.400 4.238 3.991 4.477 0.077 24 0 "[ . 1 . 2 . 3 ]" 1
212 1 14 ASP H 1 17 MET H 5.000 3.700 5.000 4.868 4.602 5.034 0.034 10 0 "[ . 1 . 2 . 3 ]" 1
213 1 14 ASP H 1 14 ASP HA 2.900 . 2.900 3.004 2.949 3.042 0.142 2 0 "[ . 1 . 2 . 3 ]" 1
214 1 12 GLU HA 1 14 ASP H 4.600 4.200 4.600 4.304 4.192 4.944 0.344 9 0 "[ . 1 . 2 . 3 ]" 1
215 1 13 LYS HA 1 14 ASP H 3.700 3.300 3.700 3.575 3.494 3.679 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 14 ASP H 1 14 ASP QB 2.900 . 2.900 2.437 2.342 2.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 13 LYS QD 1 14 ASP H 5.000 3.700 5.000 3.958 3.001 5.060 0.699 30 8 "[* . * - .* *2* . * + ]" 1
218 1 11 GLU HG3 1 14 ASP H 5.000 3.700 5.000 4.941 3.698 5.405 0.405 22 0 "[ . 1 . 2 . 3 ]" 1
219 1 11 GLU HG2 1 14 ASP H 5.000 3.700 5.000 4.992 3.909 5.584 0.584 21 1 "[ . 1 . 2+ . 3 ]" 1
220 1 12 GLU QB 1 14 ASP H 5.000 3.700 5.000 4.955 4.434 5.447 0.447 12 0 "[ . 1 . 2 . 3 ]" 1
221 1 13 LYS QB 1 14 ASP H 2.900 . 2.900 2.920 2.292 3.696 0.796 21 7 "[ . - 1 * ** *2+ . * 3 ]" 1
222 1 74 TRP H 1 75 LEU H 3.000 2.600 3.000 2.821 2.599 3.033 0.033 20 0 "[ . 1 . 2 . 3 ]" 1
223 1 75 LEU H 1 76 THR H 3.000 2.600 3.000 2.601 2.589 2.719 0.011 27 0 "[ . 1 . 2 . 3 ]" 1
224 1 73 GLU H 1 75 LEU H 4.400 4.000 4.400 4.447 4.208 4.543 0.143 29 0 "[ . 1 . 2 . 3 ]" 1
225 1 75 LEU H 1 77 LEU H 4.400 4.000 4.400 4.143 3.994 4.471 0.071 13 0 "[ . 1 . 2 . 3 ]" 1
226 1 74 TRP HD1 1 75 LEU H 5.000 3.700 5.000 4.165 3.700 4.665 0.000 6 0 "[ . 1 . 2 . 3 ]" 1
227 1 75 LEU H 1 75 LEU HA 3.700 2.900 3.700 3.027 2.972 3.060 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 74 TRP QB 1 75 LEU H . 3.700 3.700 3.092 2.817 3.796 0.883 27 21 "[ * . * -* ****** ********+ *3*]" 1
229 1 73 GLU QG 1 75 LEU H 5.000 3.700 5.000 5.257 5.073 5.425 0.425 24 0 "[ . 1 . 2 . 3 ]" 1
230 1 75 LEU H 1 75 LEU QB 2.900 . 2.900 2.440 2.321 2.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 75 LEU H 1 75 LEU HG 5.500 3.700 5.500 4.365 4.106 4.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 75 LEU H 1 75 LEU QD 5.000 3.700 5.000 3.844 2.755 4.076 0.945 30 3 "[ . 1 . 2 -*. + ]" 1
233 1 74 TRP HA 1 75 LEU H 3.700 3.300 3.700 3.553 3.487 3.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 76 THR H 1 77 LEU H 3.000 2.600 3.000 2.745 2.597 3.030 0.030 3 0 "[ . 1 . 2 . 3 ]" 1
235 1 76 THR H 1 76 THR HB 5.000 3.700 5.000 3.808 3.744 3.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 75 LEU HA 1 76 THR H 3.700 3.300 3.700 3.609 3.573 3.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 73 GLU HA 1 76 THR H 3.600 3.200 3.600 3.642 3.451 3.821 0.221 27 0 "[ . 1 . 2 . 3 ]" 1
238 1 75 LEU QB 1 76 THR H 2.900 . 2.900 2.890 2.569 3.048 0.148 27 0 "[ . 1 . 2 . 3 ]" 1
239 1 76 THR H 1 76 THR HG1 2.900 . 2.900 2.121 1.992 2.318 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 75 LEU QD 1 76 THR H 5.000 3.700 5.000 3.997 3.442 4.251 0.258 4 0 "[ . 1 . 2 . 3 ]" 1
241 1 57 LYS H 1 59 ALA H 4.400 4.000 4.400 4.418 4.280 4.517 0.117 12 0 "[ . 1 . 2 . 3 ]" 1
242 1 55 ILE H 1 57 LYS H 4.400 4.000 4.400 4.468 4.400 4.548 0.148 21 0 "[ . 1 . 2 . 3 ]" 1
243 1 57 LYS H 1 58 GLU H 3.000 2.600 3.000 2.667 2.598 2.863 0.002 12 0 "[ . 1 . 2 . 3 ]" 1
244 1 56 MET HA 1 57 LYS H 3.700 3.300 3.700 3.527 3.489 3.550 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 54 ALA HA 1 57 LYS H 3.600 3.200 3.600 3.496 3.266 3.640 0.040 31 0 "[ . 1 . 2 . 3 ]" 1
246 1 57 LYS H 1 57 LYS HA 2.900 . 2.900 2.981 2.934 3.010 0.110 21 0 "[ . 1 . 2 . 3 ]" 1
247 1 53 GLU HA 1 57 LYS H 5.000 3.700 5.000 4.022 3.781 4.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 56 MET HG2 1 57 LYS H 5.000 3.700 5.000 5.044 3.744 5.284 0.284 12 0 "[ . 1 . 2 . 3 ]" 1
249 1 56 MET HG3 1 57 LYS H 5.000 3.700 5.000 4.663 4.403 5.116 0.116 26 0 "[ . 1 . 2 . 3 ]" 1
250 1 57 LYS H 1 57 LYS QB 2.900 . 2.900 2.440 2.278 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 55 ILE HB 1 57 LYS H 5.000 3.700 5.000 4.855 4.666 5.078 0.078 6 0 "[ . 1 . 2 . 3 ]" 1
252 1 53 GLU H 1 54 ALA H 3.000 2.600 3.000 3.092 3.022 3.168 0.168 15 0 "[ . 1 . 2 . 3 ]" 1
253 1 53 GLU H 1 53 GLU HA 2.900 . 2.900 2.849 2.804 2.891 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 52 THR HA 1 53 GLU H 3.700 3.300 3.700 3.594 3.578 3.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 52 THR HB 1 53 GLU H 2.900 . 2.900 3.098 2.996 3.172 0.272 13 0 "[ . 1 . 2 . 3 ]" 1
256 1 52 THR HG1 1 53 GLU H 5.000 3.700 5.000 3.904 3.791 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 53 GLU H 1 53 GLU HB3 3.700 2.900 3.700 3.643 3.378 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 53 GLU H 1 53 GLU HB2 2.900 . 2.900 2.380 2.313 2.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 42 LYS H 1 43 LEU H 2.900 . 2.900 2.706 2.425 2.901 0.001 9 0 "[ . 1 . 2 . 3 ]" 1
260 1 40 LEU H 1 43 LEU H 5.000 3.700 5.000 4.670 4.425 5.038 0.038 5 0 "[ . 1 . 2 . 3 ]" 1
261 1 43 LEU H 1 43 LEU HA 2.900 . 2.900 2.998 2.850 3.061 0.161 12 0 "[ . 1 . 2 . 3 ]" 1
262 1 42 LYS HA 1 43 LEU H 3.700 2.900 3.700 3.552 3.347 3.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 43 LEU H 1 44 GLY HA2 5.000 3.700 5.000 4.973 4.538 5.440 0.440 31 0 "[ . 1 . 2 . 3 ]" 1
264 1 42 LYS QB 1 43 LEU H 3.700 2.900 3.700 3.068 2.556 3.998 0.344 16 0 "[ . 1 . 2 . 3 ]" 1
265 1 43 LEU H 1 43 LEU QB 2.900 . 2.900 2.262 1.953 2.653 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 43 LEU H 1 43 LEU HG 3.700 2.900 3.700 3.902 2.889 4.301 0.601 25 4 "[ . 1- . 2 ** + 3 ]" 1
267 1 43 LEU H 1 43 LEU QD 3.700 3.700 3.700 3.270 2.076 3.645 1.624 30 10 "[ * **1 - * * ** +*]" 1
268 1 80 LYS H 1 82 VAL H 4.400 4.000 4.400 4.197 3.999 4.448 0.048 11 0 "[ . 1 . 2 . 3 ]" 1
269 1 80 LYS H 1 80 LYS HA 2.900 . 2.900 2.981 2.878 3.030 0.130 9 0 "[ . 1 . 2 . 3 ]" 1
270 1 79 SER HA 1 80 LYS H 3.700 3.300 3.700 3.577 3.533 3.601 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 78 CYS HA 1 80 LYS H 4.600 4.200 4.600 4.650 4.539 4.780 0.180 9 0 "[ . 1 . 2 . 3 ]" 1
272 1 79 SER QB 1 80 LYS H 3.700 2.900 3.700 2.962 2.395 3.491 0.505 6 1 "[ .+ 1 . 2 . 3 ]" 1
273 1 80 LYS H 1 80 LYS QB 2.900 . 2.900 2.591 2.258 3.212 0.312 9 0 "[ . 1 . 2 . 3 ]" 1
274 1 80 LYS H 1 80 LYS QD 2.900 . 2.900 2.962 2.068 3.324 0.424 12 0 "[ . 1 . 2 . 3 ]" 1
275 1 80 LYS H 1 80 LYS QG 3.700 2.900 3.700 2.775 2.098 3.965 0.802 8 14 "[ * . +*** **** *2 * * *3-]" 1
276 1 80 LYS H 1 80 LYS QE 3.700 2.900 3.700 4.026 3.192 4.307 0.607 6 8 "[* .+ *1 * . 2 -.* * 3*]" 1
277 1 28 GLU H 1 29 ASN H 2.900 . 2.900 2.322 1.794 3.128 0.228 15 0 "[ . 1 . 2 . 3 ]" 1
278 1 27 ALA H 1 28 GLU H 3.700 2.900 3.700 3.273 2.895 3.947 0.247 17 0 "[ . 1 . 2 . 3 ]" 1
279 1 28 GLU H 1 28 GLU HA 3.700 2.900 3.700 2.966 2.888 3.066 0.012 10 0 "[ . 1 . 2 . 3 ]" 1
280 1 27 ALA HA 1 28 GLU H 2.900 . 2.900 2.316 2.091 3.427 0.527 25 1 "[ . 1 . 2 + 3 ]" 1
281 1 26 ASN QB 1 28 GLU H 5.000 3.700 5.000 5.554 5.008 5.985 0.985 9 18 "[********+* . - ** *** **]" 1
282 1 28 GLU H 1 28 GLU QG 2.900 . 2.900 2.835 1.925 3.489 0.589 4 5 "[ +- *1 . * 2 *. 3 ]" 1
283 1 28 GLU H 1 28 GLU QB 3.700 2.900 3.700 3.072 2.547 3.603 0.353 8 0 "[ . 1 . 2 . 3 ]" 1
284 1 27 ALA MB 1 28 GLU H 3.700 2.900 3.700 3.553 2.254 3.763 0.646 25 1 "[ . 1 . 2 + 3 ]" 1
285 1 12 GLU H 1 13 LYS H 3.000 2.600 3.000 2.737 2.589 3.257 0.257 11 0 "[ . 1 . 2 . 3 ]" 1
286 1 12 GLU HA 1 13 LYS H 3.700 3.300 3.700 3.541 3.422 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 13 LYS H 1 13 LYS HA 3.700 2.900 3.700 2.930 2.884 3.021 0.016 4 0 "[ . 1 . 2 . 3 ]" 1
288 1 13 LYS H 1 13 LYS QE 5.000 3.700 5.000 4.634 2.874 5.432 0.826 6 2 "[ .+ 1- . 2 . 3 ]" 1
289 1 12 GLU QG 1 13 LYS H . 3.700 3.700 3.714 2.578 4.508 1.122 25 18 "[** -** * 1 * **** * * +* * **]" 1
290 1 12 GLU QB 1 13 LYS H 3.700 2.900 3.700 2.989 2.241 3.838 0.659 29 2 "[ . -1 . 2 . +3 ]" 1
291 1 13 LYS H 1 13 LYS QB 2.900 . 2.900 2.452 2.177 2.956 0.056 28 0 "[ . 1 . 2 . 3 ]" 1
292 1 13 LYS H 1 13 LYS QD 5.000 3.700 5.000 4.154 2.842 4.838 0.858 26 4 "[ . 1*- . 2 .+ * 3 ]" 1
293 1 13 LYS H 1 75 LEU QD 5.000 3.700 5.000 4.907 4.669 5.323 0.323 30 0 "[ . 1 . 2 . 3 ]" 1
294 1 24 ASP HA 1 25 ARG H 3.700 2.900 3.700 3.332 2.893 3.505 0.007 11 0 "[ . 1 . 2 . 3 ]" 1
295 1 25 ARG H 1 25 ARG HA 3.000 . 3.000 2.697 2.409 3.083 0.083 6 0 "[ . 1 . 2 . 3 ]" 1
296 1 23 PHE HA 1 25 ARG H 5.000 3.700 5.000 3.782 3.688 4.289 0.012 19 0 "[ . 1 . 2 . 3 ]" 1
297 1 23 PHE HB3 1 25 ARG H 5.000 3.700 5.000 4.937 3.948 5.183 0.183 9 0 "[ . 1 . 2 . 3 ]" 1
298 1 23 PHE HB2 1 25 ARG H 5.000 3.700 5.000 5.122 4.899 5.348 0.348 29 0 "[ . 1 . 2 . 3 ]" 1
299 1 24 ASP QB 1 25 ARG H 5.000 3.700 5.000 3.704 3.330 4.115 0.370 19 0 "[ . 1 . 2 . 3 ]" 1
300 1 25 ARG H 1 25 ARG QD 3.700 2.900 3.700 4.026 2.612 4.569 0.869 17 7 "[ . * * - + 2 * *. * ]" 1
301 1 25 ARG H 1 25 ARG QB 2.900 . 2.900 3.084 2.407 3.656 0.756 31 7 "[ * . ** . *2 * -. 3+]" 1
302 1 25 ARG H 1 25 ARG QG 3.700 2.900 3.700 3.128 2.295 4.406 0.706 29 6 "[ -** 1* . 2 *. +3 ]" 1
303 1 9 GLY H 1 12 GLU H 5.000 3.700 5.000 4.511 3.694 5.266 0.266 29 0 "[ . 1 . 2 . 3 ]" 1
304 1 9 GLY QA 1 12 GLU H . 3.700 3.700 3.689 2.582 4.387 1.118 7 13 "[ .*+* *** *.-* 2* ** * ]" 1
305 1 12 GLU H 1 12 GLU HA 3.000 . 3.000 2.932 2.560 3.076 0.076 4 0 "[ . 1 . 2 . 3 ]" 1
306 1 11 GLU HA 1 12 GLU H 3.700 3.300 3.700 3.409 3.284 3.621 0.016 11 0 "[ . 1 . 2 . 3 ]" 1
307 1 8 LEU QD 1 12 GLU H 5.000 3.700 5.000 4.393 2.667 5.036 1.033 10 3 "[ * . + . 2 - 3 ]" 1
308 1 39 MET H 1 41 THR H 4.400 4.000 4.400 4.114 3.998 4.292 0.002 16 0 "[ . 1 . 2 . 3 ]" 1
309 1 39 MET H 1 40 LEU H 3.000 2.600 3.000 2.847 2.616 3.065 0.065 18 0 "[ . 1 . 2 . 3 ]" 1
310 1 37 MET HA 1 39 MET H 4.600 4.200 4.600 4.444 4.198 4.672 0.072 16 0 "[ . 1 . 2 . 3 ]" 1
311 1 38 ASP HA 1 39 MET H 3.700 3.300 3.700 3.540 3.495 3.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
312 1 39 MET H 1 39 MET HA 3.700 2.900 3.700 2.964 2.896 3.027 0.004 6 0 "[ . 1 . 2 . 3 ]" 1
313 1 15 GLU H 1 17 MET H 4.400 4.000 4.400 4.414 4.088 4.495 0.095 5 0 "[ . 1 . 2 . 3 ]" 1
314 1 13 LYS H 1 15 GLU H 4.400 4.000 4.400 4.159 3.986 4.459 0.059 29 0 "[ . 1 . 2 . 3 ]" 1
315 1 15 GLU H 1 18 LYS H 5.000 3.700 5.000 4.663 4.532 4.841 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 14 ASP HA 1 15 GLU H 3.700 3.300 3.700 3.542 3.476 3.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
317 1 15 GLU H 1 15 GLU HA 3.000 . 3.000 2.896 2.754 3.030 0.030 9 0 "[ . 1 . 2 . 3 ]" 1
318 1 13 LYS HA 1 15 GLU H 4.600 4.200 4.600 4.530 4.199 4.751 0.151 20 0 "[ . 1 . 2 . 3 ]" 1
319 1 14 ASP QB 1 15 GLU H 2.900 2.900 2.900 2.659 2.417 3.027 0.483 11 0 "[ . 1 . 2 . 3 ]" 1
320 1 15 GLU H 1 15 GLU QG 2.900 . 2.900 2.828 2.496 3.589 0.689 20 1 "[ . 1 . + . 3 ]" 1
321 1 15 GLU H 1 15 GLU QB . 2.900 2.900 2.396 2.283 2.533 0.617 30 16 "[ * *** * * *** ** * . *-+*]" 1
322 1 73 GLU H 1 74 TRP H 3.000 2.600 3.000 2.677 2.594 3.141 0.141 30 0 "[ . 1 . 2 . 3 ]" 1
323 1 73 GLU H 1 76 THR H 5.000 3.700 5.000 4.785 4.643 4.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 73 GLU H 1 73 GLU HA 2.900 . 2.900 2.952 2.770 2.986 0.086 9 0 "[ . 1 . 2 . 3 ]" 1
325 1 72 GLU HA 1 73 GLU H 3.700 3.300 3.700 3.547 3.438 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 31 ALA H 1 68 ASN HA 5.000 3.700 5.000 5.004 4.591 5.164 0.164 28 0 "[ . 1 . 2 . 3 ]" 1
327 1 30 ILE HA 1 31 ALA H 2.900 . 2.900 2.119 2.002 2.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 29 ASN HA 1 31 ALA H 5.000 3.700 5.000 5.095 4.418 5.303 0.303 14 0 "[ . 1 . 2 . 3 ]" 1
329 1 31 ALA H 1 31 ALA MB 2.900 . 2.900 2.462 2.276 2.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
330 1 46 THR H 1 47 TYR H 5.000 3.700 5.000 4.659 3.755 5.020 0.020 27 0 "[ . 1 . 2 . 3 ]" 1
331 1 47 TYR H 1 47 TYR QD 3.700 2.900 3.700 3.931 2.430 4.723 1.023 17 16 "[ *.****1-* **+ ** * .* **3 ]" 1
332 1 47 TYR H 1 47 TYR HA 3.700 2.900 3.700 2.979 2.884 3.050 0.016 30 0 "[ . 1 . 2 . 3 ]" 1
333 1 46 THR HA 1 47 TYR H 3.700 2.900 3.700 2.918 2.866 3.285 0.034 30 0 "[ . 1 . 2 . 3 ]" 1
334 1 47 TYR H 1 47 TYR QB . 2.900 2.900 2.761 2.131 3.164 0.769 5 5 "[* * + 1 -. 2 *. 3 ]" 1
335 1 46 THR HB 1 47 TYR H 3.700 2.900 3.700 3.257 2.889 3.934 0.234 30 0 "[ . 1 . 2 . 3 ]" 1
336 1 46 THR HG1 1 47 TYR H 5.000 3.700 5.000 2.795 2.134 3.981 1.566 23 24 "[ * *.***************-*+ .* **3*]" 1
337 1 19 ILE H 1 20 PHE H 3.000 2.600 3.000 2.690 2.598 2.981 0.002 18 0 "[ . 1 . 2 . 3 ]" 1
338 1 20 PHE H 1 20 PHE QD 3.700 2.900 3.700 4.141 3.923 4.466 0.766 28 7 "[-* . 1 * * 2* *. + 3 ]" 1
339 1 20 PHE H 1 74 TRP HE1 3.700 2.900 3.700 3.268 2.895 3.780 0.080 9 0 "[ . 1 . 2 . 3 ]" 1
340 1 17 MET HA 1 20 PHE H 3.600 3.200 3.600 3.197 3.182 3.264 0.018 3 0 "[ . 1 . 2 . 3 ]" 1
341 1 18 LYS HA 1 20 PHE H 4.600 4.200 4.600 4.670 4.469 4.772 0.172 21 0 "[ . 1 . 2 . 3 ]" 1
342 1 20 PHE H 1 20 PHE HA 2.900 . 2.900 2.828 2.762 2.903 0.003 22 0 "[ . 1 . 2 . 3 ]" 1
343 1 20 PHE H 1 20 PHE QB 2.900 2.900 2.900 2.277 2.129 2.416 0.771 11 30 "[**********+************-*** ***]" 1
344 1 17 MET H 1 18 LYS H 3.000 2.600 3.000 2.628 2.595 2.722 0.005 10 0 "[ . 1 . 2 . 3 ]" 1
345 1 17 MET H 1 19 ILE H 4.400 4.000 4.400 4.290 3.998 4.460 0.060 3 0 "[ . 1 . 2 . 3 ]" 1
346 1 17 MET H 1 17 MET HA 3.700 2.900 3.700 3.007 2.979 3.061 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 14 ASP HA 1 17 MET H 3.600 3.200 3.600 3.592 3.299 3.895 0.295 29 0 "[ . 1 . 2 . 3 ]" 1
348 1 15 GLU HA 1 17 MET H 4.600 4.200 4.600 4.712 4.618 4.804 0.204 1 0 "[ . 1 . 2 . 3 ]" 1
349 1 16 CYS HA 1 17 MET H 3.700 3.300 3.700 3.633 3.564 3.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 16 CYS QB 1 17 MET H . 3.700 3.700 3.048 2.835 3.582 0.865 22 24 "[*******-*1* ******2*+* .****3*]" 1
351 1 17 MET H 1 17 MET QG 3.700 2.900 3.700 4.248 3.807 4.315 0.615 29 28 "[******** ***-***********.***+3*]" 1
352 1 17 MET H 1 17 MET HB2 2.900 . 2.900 2.554 2.416 2.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 17 MET H 1 17 MET HB3 3.700 2.900 3.700 3.275 3.022 3.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 17 MET H 1 75 LEU QD 3.700 2.900 3.700 2.670 2.078 3.199 0.822 4 10 "[ +. -1 . * 2****. * **]" 1
355 1 17 MET H 1 75 LEU QB 5.000 3.700 5.000 5.106 4.612 5.508 0.508 23 1 "[ . 1 . 2 + . 3 ]" 1
356 1 27 ALA H 1 29 ASN H 5.000 3.700 5.000 4.795 4.197 5.137 0.137 22 0 "[ . 1 . 2 . 3 ]" 1
357 1 28 GLU HA 1 29 ASN H 3.700 2.900 3.700 3.197 2.884 3.524 0.016 4 0 "[ . 1 . 2 . 3 ]" 1
358 1 29 ASN H 1 29 ASN HA 2.900 . 2.900 2.696 2.408 3.055 0.155 29 0 "[ . 1 . 2 . 3 ]" 1
359 1 27 ALA HA 1 29 ASN H 5.000 3.700 5.000 3.983 3.697 5.156 0.156 25 0 "[ . 1 . 2 . 3 ]" 1
360 1 29 ASN H 1 29 ASN QB . 3.700 3.700 3.247 2.638 3.615 1.062 22 11 "[ *.** * ** .*- 2 +* . * 3 ]" 1
361 1 28 GLU QG 1 29 ASN H 3.700 2.900 3.700 3.417 2.139 4.413 0.761 1 6 "[+ ** - 1 . 2* . * ]" 1
362 1 28 GLU QB 1 29 ASN H 5.000 3.700 5.000 3.796 3.179 4.159 0.521 31 1 "[ . 1 . 2 . 3+]" 1
363 1 27 ALA MB 1 29 ASN H 5.000 3.700 5.000 4.437 3.308 5.237 0.392 25 0 "[ . 1 . 2 . 3 ]" 1
364 1 74 TRP H 1 74 TRP HA 2.900 . 2.900 2.973 2.916 3.050 0.150 11 0 "[ . 1 . 2 . 3 ]" 1
365 1 73 GLU HA 1 74 TRP H 3.700 3.300 3.700 3.548 3.520 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 74 TRP H 1 74 TRP QB 2.900 2.900 2.900 2.247 2.130 2.487 0.770 30 29 "[-****** ** ******************+*]" 1
367 1 73 GLU QG 1 74 TRP H 2.900 . 2.900 3.507 3.404 3.587 0.687 12 31 [*-*********+*******************] 1
368 1 73 GLU HB2 1 74 TRP H 5.000 3.700 5.000 4.140 4.098 4.208 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 73 GLU HB3 1 74 TRP H 3.700 2.900 3.700 2.923 2.897 3.026 0.003 30 0 "[ . 1 . 2 . 3 ]" 1
370 1 65 ASP HA 1 66 LYS H 5.000 2.900 5.000 3.510 3.022 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 66 LYS H 1 66 LYS HA 3.700 2.900 3.700 3.020 2.894 3.091 0.006 28 0 "[ . 1 . 2 . 3 ]" 1
372 1 64 GLY QA 1 66 LYS H 5.000 3.700 5.000 3.837 3.329 4.468 0.371 10 0 "[ . 1 . 2 . 3 ]" 1
373 1 33 VAL H 1 35 ASP H 4.400 4.000 4.400 4.296 4.000 4.449 0.049 15 0 "[ . 1 . 2 . 3 ]" 1
374 1 35 ASP H 1 35 ASP HA 2.900 . 2.900 2.989 2.916 3.025 0.125 3 0 "[ . 1 . 2 . 3 ]" 1
375 1 34 SER HA 1 35 ASP H 3.700 3.300 3.700 3.522 3.470 3.551 . 0 0 "[ . 1 . 2 . 3 ]" 1
376 1 33 VAL HA 1 35 ASP H 4.600 4.200 4.600 4.212 4.184 4.364 0.016 4 0 "[ . 1 . 2 . 3 ]" 1
377 1 34 SER QB 1 35 ASP H 3.700 2.900 3.700 3.499 2.715 3.603 0.185 26 0 "[ . 1 . 2 . 3 ]" 1
378 1 35 ASP H 1 35 ASP QB 2.900 2.900 2.900 2.324 2.109 2.513 0.791 26 21 "[** . **************- .+ * **]" 1
379 1 33 VAL HB 1 35 ASP H 5.000 3.700 5.000 5.147 4.949 5.626 0.626 27 5 "[ -*. 1 * . * 2 . + 3 ]" 1
380 1 33 VAL QG 1 35 ASP H 5.000 3.700 5.000 4.267 3.859 4.525 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 18 LYS H 1 19 ILE H 3.000 2.600 3.000 2.738 2.596 3.004 0.004 7 0 "[ . 1 . 2 . 3 ]" 1
382 1 16 CYS H 1 18 LYS H 4.400 4.000 4.400 4.121 3.996 4.340 0.004 26 0 "[ . 1 . 2 . 3 ]" 1
383 1 18 LYS H 1 20 PHE H 4.400 4.000 4.400 4.119 3.993 4.356 0.007 29 0 "[ . 1 . 2 . 3 ]" 1
384 1 17 MET HA 1 18 LYS H 3.700 3.300 3.700 3.545 3.471 3.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 14 ASP HA 1 18 LYS H 5.000 3.700 5.000 3.781 3.690 4.080 0.010 29 0 "[ . 1 . 2 . 3 ]" 1
386 1 18 LYS H 1 18 LYS HA 2.900 . 2.900 2.929 2.830 3.005 0.105 12 0 "[ . 1 . 2 . 3 ]" 1
387 1 15 GLU HA 1 18 LYS H 3.600 3.200 3.600 3.620 3.281 3.824 0.224 10 0 "[ . 1 . 2 . 3 ]" 1
388 1 17 MET QG 1 18 LYS H 5.000 3.700 5.000 4.591 4.276 4.944 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 17 MET HB2 1 18 LYS H 5.000 3.700 5.000 3.916 3.556 4.149 0.144 9 0 "[ . 1 . 2 . 3 ]" 1
390 1 17 MET HB3 1 18 LYS H 3.700 2.900 3.700 3.293 2.899 3.740 0.040 25 0 "[ . 1 . 2 . 3 ]" 1
391 1 18 LYS H 1 18 LYS HB3 2.900 . 2.900 2.918 2.174 3.449 0.549 20 1 "[ . 1 . + . 3 ]" 1
392 1 18 LYS H 1 18 LYS HB2 2.900 . 2.900 2.351 2.162 2.909 0.009 5 0 "[ . 1 . 2 . 3 ]" 1
393 1 18 LYS H 1 18 LYS QG 3.700 2.900 3.700 4.017 2.583 4.211 0.511 1 2 "[+ . 1 . 2 - . 3 ]" 1
394 1 18 LYS H 1 18 LYS QD 3.700 2.900 3.700 4.034 3.907 4.398 0.698 20 3 "[ . 1* . - + . 3 ]" 1
395 1 85 ASP H 1 86 ASP H 3.700 2.900 3.700 3.222 2.897 3.762 0.062 14 0 "[ . 1 . 2 . 3 ]" 1
396 1 85 ASP H 1 85 ASP HA 3.700 2.900 3.700 3.017 2.895 3.103 0.005 9 0 "[ . 1 . 2 . 3 ]" 1
397 1 84 GLN HA 1 85 ASP H 2.900 . 2.900 2.596 2.028 3.394 0.494 13 0 "[ . 1 . 2 . 3 ]" 1
398 1 85 ASP H 1 85 ASP HB3 5.000 3.700 5.000 3.547 2.898 4.115 0.802 16 10 "[ **.** 1 .+ *-2 . ***3 ]" 1
399 1 85 ASP H 1 85 ASP HB2 3.700 2.900 3.700 3.216 2.894 4.089 0.389 31 0 "[ . 1 . 2 . 3 ]" 1
400 1 55 ILE H 1 58 GLU H 5.000 3.700 5.000 4.837 4.664 5.054 0.054 23 0 "[ . 1 . 2 . 3 ]" 1
401 1 54 ALA H 1 55 ILE H 3.000 2.600 3.000 3.141 3.107 3.226 0.226 6 0 "[ . 1 . 2 . 3 ]" 1
402 1 54 ALA HA 1 55 ILE H 3.700 3.300 3.700 3.579 3.552 3.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
403 1 53 GLU HA 1 55 ILE H 4.600 4.200 4.600 4.498 4.357 4.611 0.011 17 0 "[ . 1 . 2 . 3 ]" 1
404 1 55 ILE H 1 55 ILE HA 2.900 . 2.900 2.876 2.844 2.917 0.017 15 0 "[ . 1 . 2 . 3 ]" 1
405 1 54 ALA MB 1 55 ILE H 2.900 . 2.900 2.338 2.245 2.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 55 ILE H 1 55 ILE HB 3.700 2.900 3.700 2.893 2.888 2.899 0.012 31 0 "[ . 1 . 2 . 3 ]" 1
407 1 55 ILE H 1 55 ILE MG 3.700 2.900 3.700 4.014 3.985 4.049 0.349 6 0 "[ . 1 . 2 . 3 ]" 1
408 1 55 ILE H 1 55 ILE HG13 2.900 . 2.900 2.541 2.326 2.737 . 0 0 "[ . 1 . 2 . 3 ]" 1
409 1 55 ILE H 1 55 ILE MD 5.000 3.700 5.000 4.040 3.770 4.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 55 ILE H 1 55 ILE HG12 3.700 2.900 3.700 3.657 3.464 3.785 0.085 6 0 "[ . 1 . 2 . 3 ]" 1
411 1 27 ALA H 1 28 GLU HA 5.000 3.700 5.000 4.424 3.769 5.032 0.032 10 0 "[ . 1 . 2 . 3 ]" 1
412 1 27 ALA H 1 27 ALA HA 2.900 . 2.900 2.947 2.787 3.044 0.144 15 0 "[ . 1 . 2 . 3 ]" 1
413 1 25 ARG HA 1 27 ALA H 5.000 3.700 5.000 4.564 3.881 5.124 0.124 22 0 "[ . 1 . 2 . 3 ]" 1
414 1 26 ASN HA 1 27 ALA H 3.700 2.900 3.700 3.477 3.399 3.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
415 1 26 ASN QB 1 27 ALA H 3.700 2.900 3.700 3.099 2.694 3.402 0.206 15 0 "[ . 1 . 2 . 3 ]" 1
416 1 27 ALA H 1 27 ALA MB 2.900 . 2.900 2.932 2.504 3.219 0.319 26 0 "[ . 1 . 2 . 3 ]" 1
417 1 27 ALA H 1 28 GLU QB 5.000 3.700 5.000 4.080 3.349 4.779 0.351 4 0 "[ . 1 . 2 . 3 ]" 1
418 1 27 ALA H 1 28 GLU QG 5.000 3.700 5.000 4.298 2.809 5.415 0.891 31 9 "[ - ** * . 2 * .** *+]" 1
419 1 54 ALA H 1 56 MET H 4.400 4.000 4.400 4.496 4.446 4.550 0.150 14 0 "[ . 1 . 2 . 3 ]" 1
420 1 54 ALA H 1 54 ALA HA 2.900 . 2.900 2.819 2.775 2.856 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 53 GLU HA 1 54 ALA H 3.700 3.300 3.700 3.586 3.547 3.609 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 52 THR HA 1 54 ALA H 4.600 4.200 4.600 4.194 4.188 4.197 0.012 6 0 "[ . 1 . 2 . 3 ]" 1
423 1 53 GLU QG 1 54 ALA H 5.000 3.700 5.000 4.401 4.203 4.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
424 1 53 GLU HB3 1 54 ALA H 2.900 . 2.900 2.895 2.426 3.010 0.110 31 0 "[ . 1 . 2 . 3 ]" 1
425 1 53 GLU HB2 1 54 ALA H 2.900 . 2.900 2.970 2.905 3.184 0.284 4 0 "[ . 1 . 2 . 3 ]" 1
426 1 54 ALA H 1 54 ALA MB 2.900 . 2.900 2.343 2.274 2.408 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 23 PHE H 1 24 ASP H 2.900 . 2.900 2.376 2.242 2.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 24 ASP H 1 24 ASP HA 2.900 . 2.900 2.983 2.755 3.047 0.147 8 0 "[ . 1 . 2 . 3 ]" 1
429 1 21 ASP HA 1 24 ASP H 3.700 2.900 3.700 3.771 3.588 3.860 0.160 27 0 "[ . 1 . 2 . 3 ]" 1
430 1 23 PHE HA 1 24 ASP H 3.700 2.900 3.700 3.474 3.261 3.601 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 22 ILE HA 1 24 ASP H 5.000 3.700 5.000 4.271 3.814 4.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 20 PHE HA 1 24 ASP H 5.000 3.700 5.000 3.796 3.690 4.334 0.010 7 0 "[ . 1 . 2 . 3 ]" 1
433 1 23 PHE HB3 1 24 ASP H 5.000 3.700 5.000 3.979 3.804 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 23 PHE HB2 1 24 ASP H 3.700 2.900 3.700 3.441 3.165 3.810 0.110 29 0 "[ . 1 . 2 . 3 ]" 1
435 1 24 ASP H 1 24 ASP QB 2.900 2.900 2.900 2.618 2.079 2.893 0.821 5 4 "[ * + 1 . *2 - . 3 ]" 1
436 1 22 ILE MG 1 24 ASP H 5.000 3.700 5.000 4.768 4.364 4.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 42 LYS H 1 44 GLY H 5.000 3.700 5.000 4.068 3.790 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 42 LYS H 1 42 LYS HA 2.900 . 2.900 2.993 2.943 3.056 0.156 22 0 "[ . 1 . 2 . 3 ]" 1
439 1 58 GLU H 1 59 ALA H 3.000 2.600 3.000 2.618 2.596 2.765 0.004 8 0 "[ . 1 . 2 . 3 ]" 1
440 1 59 ALA H 1 61 GLY H 5.000 3.700 5.000 5.281 5.118 5.535 0.535 27 1 "[ . 1 . 2 . + 3 ]" 1
441 1 56 MET HA 1 59 ALA H 5.000 3.700 5.000 4.241 3.934 4.593 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 58 GLU HA 1 59 ALA H 3.700 2.900 3.700 3.559 3.506 3.607 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 58 GLU QG 1 59 ALA H 2.900 . 2.900 2.304 2.108 2.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 58 GLU QB 1 59 ALA H 3.700 2.900 3.700 3.620 3.500 3.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 59 ALA H 1 59 ALA MB 2.900 . 2.900 2.365 2.220 2.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 55 ILE MG 1 59 ALA H 5.000 3.700 5.000 3.918 3.667 4.130 0.033 23 0 "[ . 1 . 2 . 3 ]" 1
447 1 38 ASP H 1 41 THR H 5.000 3.700 5.000 4.922 4.832 5.008 0.008 2 0 "[ . 1 . 2 . 3 ]" 1
448 1 35 ASP H 1 38 ASP H 5.000 3.700 5.000 4.841 4.609 4.991 . 0 0 "[ . 1 . 2 . 3 ]" 1
449 1 81 TRP HA 1 82 VAL H 3.700 3.300 3.700 3.519 3.464 3.566 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 80 LYS HA 1 82 VAL H 4.600 4.200 4.600 4.523 4.199 4.688 0.088 30 0 "[ . 1 . 2 . 3 ]" 1
451 1 82 VAL H 1 82 VAL HA 3.700 2.900 3.700 3.006 2.900 3.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
452 1 78 CYS HA 1 82 VAL H 5.000 3.700 5.000 3.713 3.695 3.960 0.005 6 0 "[ . 1 . 2 . 3 ]" 1
453 1 82 VAL H 1 82 VAL HB 2.900 . 2.900 2.642 2.376 2.930 0.030 11 0 "[ . 1 . 2 . 3 ]" 1
454 1 82 VAL H 1 82 VAL QG 2.900 . 2.900 2.391 2.132 2.904 0.004 18 0 "[ . 1 . 2 . 3 ]" 1
455 1 33 VAL H 1 69 ILE H 5.000 3.700 5.000 5.109 4.978 5.218 0.218 12 0 "[ . 1 . 2 . 3 ]" 1
456 1 33 VAL H 1 68 ASN HA 3.700 2.900 3.700 3.800 3.617 3.968 0.268 8 0 "[ . 1 . 2 . 3 ]" 1
457 1 32 PRO HA 1 33 VAL H 2.900 . 2.900 2.555 2.462 2.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
458 1 33 VAL H 1 33 VAL HA 3.700 2.900 3.700 2.905 2.886 3.025 0.014 11 0 "[ . 1 . 2 . 3 ]" 1
459 1 33 VAL H 1 33 VAL QG 2.900 . 2.900 1.915 1.815 2.415 . 0 0 "[ . 1 . 2 . 3 ]" 1
460 1 33 VAL H 1 33 VAL HB 3.700 2.900 3.700 3.567 2.883 3.796 0.096 1 0 "[ . 1 . 2 . 3 ]" 1
461 1 8 LEU H 1 8 LEU QD 3.700 3.700 3.700 3.197 1.903 3.810 1.797 22 10 "[* . 1 **.* *2 +* .* - 3*]" 1
462 1 8 LEU H 1 8 LEU HG 3.700 2.900 3.700 3.558 2.898 4.105 0.405 31 0 "[ . 1 . 2 . 3 ]" 1
463 1 8 LEU H 1 8 LEU QB 2.900 . 2.900 2.430 2.000 3.605 0.705 2 3 "[ + . 1 * . 2 - 3 ]" 1
464 1 76 THR HB 1 77 LEU H 3.700 2.900 3.700 3.809 3.595 3.897 0.197 26 0 "[ . 1 . 2 . 3 ]" 1
465 1 77 LEU H 1 77 LEU HA 2.900 . 2.900 2.961 2.868 3.026 0.126 14 0 "[ . 1 . 2 . 3 ]" 1
466 1 76 THR HA 1 77 LEU H 3.700 3.300 3.700 3.573 3.527 3.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
467 1 76 THR HG1 1 77 LEU H 3.700 . 3.700 2.160 1.983 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 77 LEU H 1 77 LEU QD 5.000 3.700 5.000 3.459 2.759 3.873 0.941 26 11 "[*** . * ** **-* 2 .+ 3 ]" 1
469 1 24 ASP HA 1 74 TRP HE1 5.000 3.700 5.000 5.607 5.256 5.925 0.925 3 25 "[**+********- *** * *** *.*** **]" 1
470 1 19 ILE HA 1 74 TRP HE1 5.000 3.700 5.000 4.925 4.610 5.151 0.151 6 0 "[ . 1 . 2 . 3 ]" 1
471 1 20 PHE HA 1 74 TRP HE1 2.900 . 2.900 2.048 1.799 2.380 0.001 17 0 "[ . 1 . 2 . 3 ]" 1
472 1 20 PHE QB 1 74 TRP HE1 3.700 3.700 3.700 3.392 2.844 3.929 0.856 19 9 "[ * .* 1 *.- +2 **. **3 ]" 1
473 1 55 ILE HA 1 81 TRP HE1 5.000 3.700 5.000 4.097 3.695 4.781 0.005 6 0 "[ . 1 . 2 . 3 ]" 1
474 1 55 ILE HB 1 81 TRP HE1 5.000 3.700 5.000 5.684 5.550 5.847 0.847 30 31 [***************************-*+*] 1
475 1 55 ILE MG 1 81 TRP HE1 5.000 3.700 5.000 5.228 5.041 5.467 0.467 30 0 "[ . 1 . 2 . 3 ]" 1
476 1 55 ILE HG13 1 81 TRP HE1 5.000 3.700 5.000 3.683 3.671 3.691 0.029 27 0 "[ . 1 . 2 . 3 ]" 1
477 1 55 ILE HG12 1 81 TRP HE1 5.000 3.700 5.000 3.676 3.670 3.682 0.030 7 0 "[ . 1 . 2 . 3 ]" 1
478 1 52 THR H 1 55 ILE MD 5.000 3.700 5.000 5.047 4.867 5.168 0.168 6 0 "[ . 1 . 2 . 3 ]" 1
479 1 30 ILE HA 1 70 GLY QA 2.900 . 2.900 1.928 1.795 2.315 0.005 4 0 "[ . 1 . 2 . 3 ]" 1
480 1 32 PRO HA 1 68 ASN HA 2.900 . 2.900 1.956 1.823 2.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 21 ASP H 1 74 TRP HE1 5.000 3.700 5.000 5.114 4.868 5.303 0.303 30 0 "[ . 1 . 2 . 3 ]" 1
482 1 26 ASN H 1 28 GLU QG 5.000 3.700 5.000 4.630 3.153 5.390 0.547 7 1 "[ . + 1 . 2 . 3 ]" 1
483 1 31 ALA H 1 69 ILE HB 5.000 3.700 5.000 4.903 4.738 5.061 0.061 27 0 "[ . 1 . 2 . 3 ]" 1
484 1 31 ALA H 1 69 ILE QG 5.000 3.700 5.000 3.402 3.293 3.621 0.407 5 0 "[ . 1 . 2 . 3 ]" 1
485 1 55 ILE MD 1 81 TRP HE3 3.700 2.900 3.700 3.024 2.436 3.737 0.464 6 0 "[ . 1 . 2 . 3 ]" 1
486 1 55 ILE HG12 1 81 TRP HD1 3.700 2.900 3.700 2.939 2.884 3.099 0.016 12 0 "[ . 1 . 2 . 3 ]" 1
487 1 55 ILE HG13 1 81 TRP HD1 5.000 3.700 5.000 3.905 3.783 4.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 55 ILE MD 1 81 TRP HD1 3.700 2.900 3.700 3.787 3.232 3.924 0.224 15 0 "[ . 1 . 2 . 3 ]" 1
489 1 55 ILE MG 1 81 TRP HD1 5.000 3.700 5.000 4.566 4.309 4.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 77 LEU QD 1 81 TRP HD1 3.700 2.900 3.700 2.585 1.739 3.358 1.161 12 18 "[***********+**** * .- 3 ]" 1
491 1 77 LEU HG 1 81 TRP HD1 2.900 . 2.900 3.166 2.638 4.088 1.188 12 11 "[*** . * **+***- 2 . 3 ]" 1
492 1 22 ILE MG 1 23 PHE QD 3.700 2.900 3.700 2.835 2.204 3.540 0.696 18 3 "[ . -1 . +*2 . 3 ]" 1
493 1 20 PHE QD 1 21 ASP HA 3.700 2.900 3.700 4.132 3.442 5.057 1.357 3 11 "[ + .** 1 * *** *2 -* . * 3 ]" 1
494 1 23 PHE QD 1 24 ASP HA 5.000 3.700 5.000 6.071 5.568 6.357 1.357 8 31 [*****-*+***********************] 1
495 1 23 PHE QD 1 35 ASP HA 2.900 . 2.900 3.022 2.323 3.795 0.895 3 4 "[ + . - *1 . * 2 . 3 ]" 1
496 1 52 THR HA 1 55 ILE MD 3.700 2.900 3.700 2.973 2.689 3.295 0.211 13 0 "[ . 1 . 2 . 3 ]" 1
497 1 52 THR HA 1 55 ILE HB 3.700 2.900 3.700 3.086 2.892 3.480 0.008 24 0 "[ . 1 . 2 . 3 ]" 1
498 1 52 THR HB 1 55 ILE MG 5.000 3.700 5.000 5.096 5.034 5.173 0.173 31 0 "[ . 1 . 2 . 3 ]" 1
499 1 52 THR HA 1 55 ILE MG 5.000 3.700 5.000 4.404 4.278 4.586 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 54 ALA MB 1 55 ILE HG12 5.000 3.700 5.000 4.846 4.545 4.917 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 54 ALA MB 1 55 ILE HG13 5.000 3.700 5.000 4.089 3.910 4.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 55 ILE MD 1 56 MET ME 3.700 2.900 3.700 2.708 2.011 3.457 0.889 13 11 "[*** . * ** +*** 2 .- 3 ]" 1
503 1 55 ILE HG13 1 56 MET ME 3.700 2.900 3.700 4.127 3.669 4.530 0.830 17 14 "[ .* *1 . +**-****. **** ]" 1
504 1 55 ILE MG 1 56 MET ME 3.700 2.900 3.700 3.206 2.625 3.607 0.275 14 0 "[ . 1 . 2 . 3 ]" 1
505 1 55 ILE HB 1 56 MET ME 3.700 2.900 3.700 2.652 2.155 3.156 0.745 13 6 "[* *- 1 +*. 2 . 3*]" 1
506 1 55 ILE MG 1 77 LEU QD 2.900 . 2.900 1.759 1.636 1.865 0.164 30 0 "[ . 1 . 2 . 3 ]" 1
507 1 40 LEU H 1 74 TRP HZ3 5.000 3.700 5.000 4.968 4.578 5.257 0.257 18 0 "[ . 1 . 2 . 3 ]" 1
508 1 40 LEU H 1 74 TRP HH2 5.000 3.700 5.000 4.150 3.698 4.573 0.002 15 0 "[ . 1 . 2 . 3 ]" 1
509 1 21 ASP H 1 23 PHE H 4.400 4.000 4.400 4.163 3.999 4.323 0.001 11 0 "[ . 1 . 2 . 3 ]" 1
510 1 81 TRP HD1 1 82 VAL H 5.000 3.700 5.000 5.249 5.134 5.373 0.373 9 0 "[ . 1 . 2 . 3 ]" 1
511 1 55 ILE H 1 81 TRP HD1 5.500 3.700 5.500 5.499 5.337 5.605 0.105 13 0 "[ . 1 . 2 . 3 ]" 1
512 1 47 TYR QD 1 48 THR H 5.000 3.700 5.000 3.770 3.498 4.066 0.202 11 0 "[ . 1 . 2 . 3 ]" 1
513 1 11 GLU H 1 13 LYS H 4.400 4.000 4.400 4.604 3.999 5.135 0.735 20 3 "[ * 1 - . + . 3 ]" 1
514 1 17 MET HA 1 20 PHE QD 3.700 2.900 3.700 3.958 3.403 4.426 0.726 10 2 "[ . + . 2 - . 3 ]" 1
515 1 20 PHE QD 1 74 TRP QB 3.700 3.700 3.700 2.615 1.889 4.280 1.811 26 22 "[ * . * **-****** *******+* *3*]" 1
516 1 20 PHE HA 1 23 PHE QD 3.700 2.900 3.700 5.338 4.758 5.571 1.871 20 31 [*****-*************+***********] 1
517 1 47 TYR QE 1 55 ILE MD 5.000 3.700 5.000 3.475 3.038 4.140 0.662 6 4 "[ .+ 1 * . -* . 3 ]" 1
518 1 47 TYR QD 1 55 ILE MD 5.000 3.700 5.000 2.586 2.023 3.571 1.677 20 30 "[*******************+****** *-**]" 1
519 1 23 PHE H 1 74 TRP HE1 5.000 3.700 5.000 4.367 3.798 4.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 47 TYR QD 1 56 MET ME 5.000 3.700 5.000 3.013 2.340 3.801 1.360 25 23 "[*- ******* ***.* ****** +** *3 ]" 1
521 1 47 TYR QE 1 56 MET ME 5.000 3.700 5.000 4.561 3.938 5.221 0.221 28 0 "[ . 1 . 2 . 3 ]" 1
522 1 17 MET ME 1 20 PHE QD 2.900 . 2.900 2.420 1.923 2.771 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 17 MET ME 1 20 PHE QE 2.900 . 2.900 3.667 2.936 4.056 1.156 22 26 "[ ** *********-** **+*********]" 1
524 1 17 MET ME 1 20 PHE HZ 5.000 3.700 5.000 4.857 4.062 5.114 0.114 22 0 "[ . 1 . 2 . 3 ]" 1
525 1 8 LEU QD 1 9 GLY QA . 3.700 3.700 3.257 2.311 4.009 1.389 1 10 "[+ -. * 1 **.* * 2 * * *3 ]" 1
526 1 77 LEU QD 1 81 TRP HE1 5.000 3.700 5.000 3.695 2.694 4.329 1.006 26 2 "[ . 1 - . 2 .+ 3 ]" 1
527 1 70 GLY H 1 71 PRO QD 5.000 3.700 5.000 3.747 3.597 4.126 0.103 19 0 "[ . 1 . 2 . 3 ]" 1
528 1 33 VAL QG 1 60 ARG H 2.900 . 2.900 2.155 1.391 3.558 0.658 17 2 "[ . 1 - . + 2 . 3 ]" 1
529 1 24 ASP QB 1 29 ASN QD 5.000 3.700 5.000 3.522 1.790 5.743 1.910 10 10 "[ **. +* . * * *. -**]" 1
530 1 25 ARG QG 1 29 ASN QD 5.000 3.700 5.000 4.818 2.821 5.375 0.879 26 2 "[ . 1 . 2 .+- 3 ]" 1
531 1 26 ASN HD22 1 28 GLU QB 5.000 3.700 5.000 5.225 4.655 5.464 0.464 25 0 "[ . 1 . 2 . 3 ]" 1
532 1 26 ASN HD21 1 28 GLU QB 5.000 3.700 5.000 4.546 3.693 5.365 0.365 25 0 "[ . 1 . 2 . 3 ]" 1
533 1 32 PRO HA 1 68 ASN QD 5.000 3.700 5.000 4.735 4.129 4.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 30 ILE MD 1 68 ASN QD 3.700 2.900 3.700 2.250 2.016 3.085 0.884 27 26 "[** *.***-********* ****** +*** ]" 1
535 1 30 ILE MG 1 68 ASN QD 5.000 3.700 5.000 3.616 2.944 3.984 0.756 18 2 "[ . 1 . + 2 -. 3 ]" 1
536 1 13 LYS QD 1 16 CYS H 5.000 3.700 5.000 5.175 4.386 5.468 0.468 9 0 "[ . 1 . 2 . 3 ]" 1
537 1 16 CYS H 1 75 LEU QD 5.000 3.700 5.000 4.069 3.607 4.347 0.093 24 0 "[ . 1 . 2 . 3 ]" 1
538 1 40 LEU QD 1 43 LEU H 5.000 3.700 5.000 4.397 3.989 4.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 20 PHE QE 1 31 ALA H 4.000 3.700 4.000 4.324 3.862 5.041 1.041 9 11 "[** ** **+** . * 2 . - ]" 1
540 1 20 PHE QD 1 31 ALA H 5.000 3.700 5.000 6.209 5.709 6.632 1.632 5 31 [****+*****************-********] 1
541 1 74 TRP HA 1 77 LEU H 3.600 3.200 3.600 3.840 3.649 4.010 0.410 14 0 "[ . 1 . 2 . 3 ]" 1
542 1 56 MET HA 1 58 GLU H 4.600 4.200 4.600 4.632 4.503 4.707 0.107 26 0 "[ . 1 . 2 . 3 ]" 1
543 1 47 TYR H 1 56 MET ME 3.700 2.900 3.700 3.507 2.678 4.056 0.356 7 0 "[ . 1 . 2 . 3 ]" 1
544 1 47 TYR H 1 48 THR H 5.000 3.700 5.000 3.706 3.690 3.921 0.010 16 0 "[ . 1 . 2 . 3 ]" 1
545 1 17 MET ME 1 20 PHE H 5.000 3.700 5.000 4.901 4.468 5.217 0.217 1 0 "[ . 1 . 2 . 3 ]" 1
546 1 22 ILE MG 1 23 PHE HZ 5.000 3.700 5.000 4.515 4.020 4.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
547 1 22 ILE MG 1 23 PHE QE 3.700 2.900 3.700 2.728 2.264 3.246 0.636 11 2 "[ . 1+ .- 2 . 3 ]" 1
548 1 22 ILE MG 1 23 PHE H 5.000 3.700 5.000 3.552 3.389 3.730 0.311 14 0 "[ . 1 . 2 . 3 ]" 1
549 1 43 LEU QD 1 74 TRP HH2 5.000 3.700 5.000 3.420 2.854 4.218 0.846 28 15 "[******* * * ***- 2 *. + 3 ]" 1
550 1 43 LEU QD 1 74 TRP HZ2 5.000 3.700 5.000 3.941 3.345 4.450 0.355 6 0 "[ . 1 . 2 . 3 ]" 1
551 1 54 ALA MB 1 81 TRP HH2 5.000 3.700 5.000 4.754 3.773 4.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 54 ALA MB 1 81 TRP HZ2 3.700 2.900 3.700 3.405 2.545 3.801 0.355 6 0 "[ . 1 . 2 . 3 ]" 1
553 1 33 VAL HA 1 37 MET ME 5.000 3.700 5.000 3.173 2.634 3.699 1.066 15 17 "[** . ******-+ * 2 ***.* *3*]" 1
554 1 61 GLY H 1 64 GLY QA 3.700 2.900 3.700 4.940 4.030 5.493 1.793 18 30 "[** ***-**********+*************]" 1
555 1 61 GLY H 1 62 PRO QD 5.000 3.700 5.000 3.975 3.026 4.407 0.674 18 2 "[ . 1 . -+ 2 . 3 ]" 1
556 1 40 LEU QD 1 46 THR H 5.000 3.700 5.000 4.338 2.623 4.753 1.077 28 2 "[ . 1 . 2 - + 3 ]" 1
557 1 60 ARG HA 1 68 ASN H 5.000 3.700 5.000 4.958 3.961 5.177 0.177 29 0 "[ . 1 . 2 . 3 ]" 1
558 1 59 ALA MB 1 77 LEU QD 3.700 3.700 3.700 2.978 2.256 3.569 1.444 20 20 "[ ******1 ** ***+* *-.*** **]" 1
559 1 31 ALA H 1 70 GLY QA 3.700 2.900 3.700 2.847 2.480 3.121 0.420 17 0 "[ . 1 . 2 . 3 ]" 1
560 1 31 ALA H 1 32 PRO HA 5.000 3.700 5.000 5.045 4.931 5.150 0.150 1 0 "[ . 1 . 2 . 3 ]" 1
561 1 19 ILE HB 1 74 TRP HE1 5.000 3.700 5.000 5.240 5.023 5.445 0.445 24 0 "[ . 1 . 2 . 3 ]" 1
562 1 19 ILE MD 1 74 TRP HE1 5.000 3.700 5.000 3.831 2.644 4.855 1.056 11 9 "[ . **1+*****- 2 . 3 ]" 1
563 1 19 ILE MG 1 74 TRP HE1 2.900 . 2.900 2.621 2.169 3.043 0.143 10 0 "[ . 1 . 2 . 3 ]" 1
564 1 19 ILE QG 1 74 TRP HE1 3.700 2.900 3.700 3.775 2.195 5.133 1.433 26 16 "[ .****-** **** 2* *+ ** ]" 1
565 1 19 ILE MD 1 74 TRP HH2 3.700 2.900 3.700 2.973 2.401 3.422 0.499 29 0 "[ . 1 . 2 . 3 ]" 1
566 1 19 ILE MD 1 74 TRP HZ3 5.000 3.700 5.000 4.903 4.584 5.097 0.097 25 0 "[ . 1 . 2 . 3 ]" 1
567 1 19 ILE MD 1 74 TRP HZ2 2.900 . 2.900 2.232 1.688 2.913 0.112 14 0 "[ . 1 . 2 . 3 ]" 1
568 1 19 ILE MD 1 39 MET H 5.000 3.700 5.000 3.909 3.396 4.231 0.304 31 0 "[ . 1 . 2 . 3 ]" 1
569 1 19 ILE MD 1 38 ASP QB 3.700 3.700 3.700 4.269 3.350 4.482 0.782 7 27 "[******+************2****- *** ]" 1
570 1 23 PHE QD 1 38 ASP QB 2.900 2.900 2.900 3.975 3.374 4.553 1.653 18 30 "[**********-**** *+*************]" 1
571 1 20 PHE QD 1 75 LEU QB 3.700 2.900 3.700 3.782 2.137 4.794 1.094 23 11 "[ **.* 1 * *** *2 +-. * 3 ]" 1
572 1 20 PHE QD 1 75 LEU HG 3.700 2.900 3.700 5.113 4.176 5.654 1.954 3 30 "[**+-****** ********************]" 1
573 1 30 ILE HB 1 70 GLY H 3.700 2.900 3.700 3.949 3.754 4.085 0.385 29 0 "[ . 1 . 2 . 3 ]" 1
574 1 69 ILE HB 1 70 GLY H 2.900 . 2.900 3.366 3.095 3.510 0.610 16 10 "[* - 1 * .+** 2** *. *3 ]" 1
575 1 69 ILE QG 1 70 GLY H 5.000 3.700 5.000 4.211 3.906 4.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 69 ILE MG 1 70 GLY H 5.000 3.700 5.000 3.791 3.522 4.119 0.178 4 0 "[ . 1 . 2 . 3 ]" 1
577 1 30 ILE H 1 70 GLY QA 5.000 3.700 5.000 3.904 3.295 4.430 0.405 21 0 "[ . 1 . 2 . 3 ]" 1
578 1 31 ALA H 1 69 ILE MG 5.000 3.700 5.000 5.037 4.692 5.142 0.142 4 0 "[ . 1 . 2 . 3 ]" 1
579 1 31 ALA HA 1 69 ILE H 5.000 3.700 5.000 4.285 4.007 4.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 52 THR HG1 1 81 TRP HB2 5.000 3.700 5.000 4.032 3.869 4.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 52 THR HG1 1 81 TRP HB3 3.700 2.900 3.700 3.159 2.752 3.671 0.148 15 0 "[ . 1 . 2 . 3 ]" 1
582 1 18 LYS HA 1 21 ASP QB 3.700 3.700 3.700 2.722 2.582 3.281 1.118 9 30 "[********+-******** ************]" 1
583 1 11 GLU HA 1 14 ASP QB 5.000 3.700 5.000 3.627 3.289 4.344 0.411 21 0 "[ . 1 . 2 . 3 ]" 1
584 1 14 ASP HA 1 17 MET HB2 5.000 3.700 5.000 4.028 3.695 4.585 0.005 11 0 "[ . 1 . 2 . 3 ]" 1
585 1 14 ASP HA 1 17 MET HB3 5.000 3.700 5.000 3.882 3.693 4.446 0.007 7 0 "[ . 1 . 2 . 3 ]" 1
586 1 21 ASP HA 1 23 PHE H 4.600 4.200 4.600 4.623 4.490 4.684 0.084 28 0 "[ . 1 . 2 . 3 ]" 1
587 1 19 ILE HA 1 43 LEU QD . 3.700 3.700 3.391 2.687 3.670 1.013 13 8 "[ . **1* + . * * - *3 ]" 1
588 1 19 ILE QG 1 43 LEU QD 5.000 3.700 5.000 2.578 1.646 3.513 2.054 21 21 "[ .* **1*********2+*- *** ***]" 1
589 1 23 PHE QE 1 35 ASP QB 5.000 3.700 5.000 3.307 2.449 3.874 1.251 10 11 "[ * . * *+** *-* * * . 3 ]" 1
590 1 56 MET HA 1 59 ALA MB 3.700 2.900 3.700 3.399 2.763 3.733 0.137 23 0 "[ . 1 . 2 . 3 ]" 1
591 1 30 ILE HA 1 71 PRO QD 5.000 3.700 5.000 4.094 3.809 4.300 . 0 0 "[ . 1 . 2 . 3 ]" 1
592 1 29 ASN QB 1 71 PRO QD 5.000 3.700 5.000 2.898 2.022 5.213 1.678 29 19 "[***** -**** . ***** *. +**]" 1
593 1 47 TYR QE 1 81 TRP HE3 3.700 2.900 3.700 5.011 4.115 5.570 1.870 6 30 "[* -**+*************************]" 1
594 1 47 TYR QD 1 81 TRP HE3 5.000 3.700 5.000 3.717 2.979 4.495 0.721 3 5 "[ *+ . * - .* 2 . 3 ]" 1
595 1 47 TYR QD 1 81 TRP HH2 5.000 3.700 5.000 6.590 6.268 6.847 1.847 20 31 [*******************+*********-*] 1
596 1 23 PHE QD 1 74 TRP HH2 5.000 3.700 5.000 4.678 3.630 5.898 0.898 5 7 "[**-*+* 1 . 2 *. 3 ]" 1
597 1 23 PHE QD 1 74 TRP HZ3 5.000 3.700 5.000 6.129 5.546 6.605 1.605 3 31 [**+**************-*************] 1
598 1 20 PHE QD 1 74 TRP H 5.000 3.700 5.000 4.155 3.417 5.059 0.283 8 0 "[ . 1 . 2 . 3 ]" 1
599 1 20 PHE QD 1 74 TRP HE1 2.900 . 2.900 3.338 2.051 4.194 1.294 9 20 "[** ** **+** . ** **- *** * **]" 1
600 1 47 TYR QD 1 52 THR H 5.000 3.700 5.000 5.881 5.530 6.318 1.318 27 31 [*************-************+****] 1
601 1 48 THR H 1 81 TRP HZ3 5.000 3.700 5.000 4.535 3.699 5.071 0.071 14 0 "[ . 1 . 2 . 3 ]" 1
602 1 24 ASP HA 1 28 GLU HA 5.000 3.700 5.000 4.991 3.761 5.811 0.811 5 9 "[*** + * 1* . 2 *. -*]" 1
603 1 52 THR HA 1 56 MET ME 3.700 2.900 3.700 3.744 3.469 3.867 0.167 22 0 "[ . 1 . 2 . 3 ]" 1
604 1 47 TYR HA 1 56 MET ME 5.000 3.700 5.000 5.096 4.952 5.191 0.191 20 0 "[ . 1 . 2 . 3 ]" 1
605 1 52 THR HG1 1 56 MET ME 3.700 2.900 3.700 2.608 1.849 2.998 1.051 31 8 "[ .*- 1 . * * *. ** 3+]" 1
606 1 17 MET ME 1 75 LEU QD 5.000 3.700 5.000 2.306 1.990 2.760 1.710 24 31 [*******************-***+*******] 1
607 1 34 SER HA 1 37 MET ME 3.700 2.900 3.700 3.881 3.633 4.122 0.422 8 0 "[ . 1 . 2 . 3 ]" 1
608 1 34 SER QB 1 37 MET ME 5.000 3.700 5.000 5.121 4.911 5.313 0.313 9 0 "[ . 1 . 2 . 3 ]" 1
609 1 22 ILE MD 1 42 LYS QE 5.000 3.700 5.000 4.767 3.354 5.218 0.346 21 0 "[ . 1 . 2 . 3 ]" 1
610 1 22 ILE MG 1 42 LYS QE 5.000 3.700 5.000 4.725 3.692 5.149 0.149 10 0 "[ . 1 . 2 . 3 ]" 1
611 1 36 THR H 1 59 ALA MB 5.000 3.700 5.000 4.383 3.472 5.009 0.228 16 0 "[ . 1 . 2 . 3 ]" 1
612 1 20 PHE QE 1 30 ILE HA 5.000 3.700 5.000 4.952 4.321 5.850 0.850 9 2 "[ . -+1 . 2 . 3 ]" 1
613 1 20 PHE QD 1 24 ASP H 5.000 3.700 5.000 5.023 4.046 5.617 0.617 19 3 "[ . 1 . +2 * . -3 ]" 1
614 1 32 PRO HD3 1 68 ASN HA 5.000 3.700 5.000 4.627 4.177 5.208 0.208 12 0 "[ . 1 . 2 . 3 ]" 1
615 1 32 PRO HB3 1 68 ASN HA 3.700 2.900 3.700 3.266 2.664 3.953 0.253 8 0 "[ . 1 . 2 . 3 ]" 1
616 1 32 PRO HA 1 68 ASN HB2 3.700 2.900 3.700 3.617 3.265 3.830 0.130 11 0 "[ . 1 . 2 . 3 ]" 1
617 1 32 PRO HA 1 68 ASN HB3 2.900 . 2.900 2.182 1.895 2.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 23 PHE QD 1 39 MET H 3.700 2.900 3.700 4.344 3.748 5.031 1.331 10 19 "[*-*** * + . * **********3*]" 1
619 1 23 PHE QE 1 39 MET H 2.900 . 2.900 3.541 2.218 4.587 1.687 3 22 "[**+**-* *****.** * * ***** 3*]" 1
620 1 55 ILE HA 1 77 LEU QD 2.900 2.900 2.900 2.078 1.783 2.386 1.117 26 31 [*************************+*-***] 1
621 1 46 THR HA 1 47 TYR QE 5.000 3.700 5.000 5.195 3.839 6.518 1.518 30 13 "[ *. ***1** **- *2 *. *+ ]" 1
622 1 46 THR HA 1 47 TYR QD 3.700 2.900 3.700 4.314 3.565 5.380 1.680 30 18 "[* **-***1** *** ** **. *+ ]" 1
623 1 55 ILE HB 1 81 TRP HD1 6.000 3.700 6.000 5.823 5.718 5.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 13 LYS HA 1 82 VAL QG 5.000 3.700 5.000 4.472 2.514 5.474 1.186 16 3 "[ * . 1 -.+ 2 . 3 ]" 1
625 1 13 LYS QG 1 82 VAL QG 5.000 3.700 5.000 4.601 2.054 5.558 1.646 14 3 "[ -. 1 +. 2* . 3 ]" 1
626 1 20 PHE QE 1 70 GLY H 5.000 3.700 5.000 5.310 4.794 5.853 0.853 4 4 "[ +. *1* . - 2 . 3 ]" 1
627 1 75 LEU QD 1 79 SER H 5.000 3.700 5.000 2.947 2.664 3.615 1.036 11 24 "[******** *+*********- *** *3 ]" 1
628 1 71 PRO QD 1 72 GLU H 3.700 3.700 3.700 3.033 2.845 3.427 0.855 29 25 "[******-****** .****** **.** +3*]" 1
629 1 19 ILE MD 1 40 LEU H 5.000 3.700 5.000 4.704 4.299 5.064 0.064 10 0 "[ . 1 . 2 . 3 ]" 1
630 1 36 THR H 1 74 TRP HZ3 5.000 3.700 5.000 4.951 4.324 5.311 0.311 3 0 "[ . 1 . 2 . 3 ]" 1
631 1 54 ALA MB 1 81 TRP HE1 3.700 2.900 3.700 3.403 3.006 3.764 0.064 30 0 "[ . 1 . 2 . 3 ]" 1
632 1 40 LEU QD 1 74 TRP HH2 5.000 3.700 5.000 3.314 2.441 4.466 1.259 5 18 "[****+*********** 2 . - * ]" 1
633 1 20 PHE QE 1 29 ASN HA 2.900 . 2.900 3.685 1.918 4.828 1.928 16 21 "[* .***** ****+* *2*** ****-3 ]" 1
634 1 33 VAL H 1 60 ARG H 5.000 3.700 5.000 4.457 3.696 5.126 0.126 8 0 "[ . 1 . 2 . 3 ]" 1
635 1 70 GLY QA 1 71 PRO QD 2.900 . 2.900 1.926 1.882 1.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
636 1 20 PHE QE 1 69 ILE MD 5.000 3.700 5.000 4.766 3.867 5.062 0.062 26 0 "[ . 1 . 2 . 3 ]" 1
637 1 15 GLU QB 1 47 TYR QE 5.000 3.700 5.000 5.805 5.596 5.914 0.914 17 31 [****************+**********-***] 1
638 1 39 MET H 1 74 TRP HH2 5.000 3.700 5.000 4.445 3.699 5.219 0.219 2 0 "[ . 1 . 2 . 3 ]" 1
639 1 19 ILE QG 1 39 MET H 5.000 3.700 5.000 5.388 4.394 6.269 1.269 10 17 "[******* + * -* **2 **. * * ]" 1
640 1 40 LEU QD 1 47 TYR QE 5.000 3.700 5.000 2.393 1.953 3.797 1.747 19 30 "[******************+-******* ***]" 1
641 1 12 GLU QB 1 47 TYR QE 5.000 3.700 5.000 4.310 3.202 5.585 0.585 29 1 "[ . 1 . 2 . +3 ]" 1
642 1 39 MET HA 1 74 TRP HH2 5.000 3.700 5.000 4.580 3.874 5.367 0.367 29 0 "[ . 1 . 2 . 3 ]" 1
643 1 23 PHE QD 1 35 ASP QB 3.700 2.900 3.700 2.052 1.901 2.375 0.999 20 31 [******************-+***********] 1
644 1 33 VAL QG 1 59 ALA MB 2.900 . 2.900 2.795 2.231 3.477 0.577 12 3 "[ *. 1 + . - 2 . 3 ]" 1
645 1 33 VAL HA 1 59 ALA MB 3.700 2.900 3.700 3.024 2.184 3.814 0.716 2 3 "[ +* . 1 .- 2 . 3 ]" 1
646 1 17 MET ME 1 72 GLU HB3 5.000 3.700 5.000 5.023 4.839 5.232 0.232 1 0 "[ . 1 . 2 . 3 ]" 1
647 1 17 MET ME 1 72 GLU HB2 5.000 3.700 5.000 5.013 4.759 5.198 0.198 26 0 "[ . 1 . 2 . 3 ]" 1
648 1 59 ALA H 1 77 LEU QD 5.000 3.700 5.000 3.444 2.848 3.938 0.852 6 6 "[ **+ *1 . * - . 3 ]" 1
649 1 59 ALA H 1 73 GLU QG 5.000 3.700 5.000 5.489 5.288 5.600 0.600 4 15 "[ +** *1 * . * ***- *. ***3*]" 1
650 1 33 VAL H 1 61 GLY QA 6.000 3.700 6.000 6.841 5.189 7.548 1.548 26 24 "[***-** ******** * *2 * *.+*****]" 1
651 1 33 VAL H 1 60 ARG QB 3.700 3.700 3.700 3.144 2.575 4.280 1.125 26 18 "[* * ** ***** **** *2- *.+* 3 ]" 1
652 1 20 PHE HZ 1 24 ASP HA 5.000 3.700 5.000 4.585 3.698 5.087 0.087 4 0 "[ . 1 . 2 . 3 ]" 1
653 1 23 PHE HZ 1 38 ASP HA 5.000 3.700 5.000 5.143 4.621 5.363 0.363 10 0 "[ . 1 . 2 . 3 ]" 1
654 1 23 PHE HZ 1 35 ASP HA 5.000 3.700 5.000 4.729 3.769 5.056 0.056 6 0 "[ . 1 . 2 . 3 ]" 1
655 1 23 PHE HZ 1 38 ASP QB 3.700 2.900 3.700 2.753 2.604 2.814 0.296 3 0 "[ . 1 . 2 . 3 ]" 1
656 1 23 PHE QE 1 38 ASP QB 2.900 . 2.900 2.216 1.928 3.000 0.100 3 0 "[ . 1 . 2 . 3 ]" 1
657 1 48 THR H 1 52 THR H 5.000 3.700 5.000 4.142 3.698 4.605 0.002 6 0 "[ . 1 . 2 . 3 ]" 1
658 1 47 TYR QB 1 52 THR H 5.000 3.700 5.000 4.311 3.934 4.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 47 TYR QD 1 52 THR HG1 2.900 . 2.900 2.027 1.830 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
660 1 61 GLY QA 1 67 LYS HA 5.000 3.700 5.000 5.093 2.477 6.480 1.480 19 18 "[- * ** * *** ** **+* **.** 3 ]" 1
661 1 16 CYS H 1 43 LEU QD 5.000 3.700 5.000 3.911 2.792 4.325 0.908 30 1 "[ . 1 . 2 . + ]" 1
662 1 48 THR H 1 51 GLU H 6.000 3.700 6.000 5.980 5.454 6.076 0.076 16 0 "[ . 1 . 2 . 3 ]" 1
663 1 9 GLY QA 1 13 LYS H 5.000 3.700 5.000 5.119 2.708 6.403 1.403 20 21 "[*** ** *** - *. * *+* ***** ** ]" 1
664 1 20 PHE HZ 1 31 ALA H 5.000 3.700 5.000 4.614 3.819 5.122 0.122 3 0 "[ . 1 . 2 . 3 ]" 1
665 1 32 PRO QG 1 35 ASP H 2.900 . 2.900 3.067 2.982 3.097 0.197 27 0 "[ . 1 . 2 . 3 ]" 1
666 1 32 PRO HB3 1 35 ASP H 5.000 3.700 5.000 5.040 4.982 5.139 0.139 15 0 "[ . 1 . 2 . 3 ]" 1
667 1 32 PRO HB2 1 35 ASP H 5.000 3.700 5.000 3.729 3.692 3.898 0.008 17 0 "[ . 1 . 2 . 3 ]" 1
668 1 32 PRO HD2 1 35 ASP H 5.000 3.700 5.000 3.712 3.356 3.978 0.344 22 0 "[ . 1 . 2 . 3 ]" 1
669 1 36 THR HG1 1 59 ALA MB 3.700 2.900 3.700 2.172 1.468 2.915 1.432 2 22 "[*+***** *1* *.* * *-**** ** **]" 1
670 1 36 THR HG1 1 55 ILE MG 2.900 . 2.900 2.371 1.945 2.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 16 CYS QB 1 75 LEU QD 3.700 3.700 3.700 2.492 1.801 2.791 1.899 28 31 [**************************-+***] 1
672 1 17 MET QG 1 75 LEU QD 5.000 3.700 5.000 2.534 2.014 3.091 1.686 9 31 [********+************-*********] 1
673 1 13 LYS HA 1 75 LEU QD 5.000 3.700 5.000 2.737 2.538 3.088 1.162 4 31 [***+*************************-*] 1
674 1 17 MET ME 1 20 PHE HA 5.000 3.700 5.000 4.680 4.393 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 17 MET ME 1 20 PHE QB 3.700 2.900 3.700 2.619 2.220 2.874 0.680 10 2 "[ . + . 2 - . 3 ]" 1
676 1 46 THR HA 1 56 MET ME 5.000 3.700 5.000 3.430 2.783 4.238 0.917 17 12 "[ -* ** 1* ***+ 2 * .* 3*]" 1
677 1 46 THR HB 1 56 MET ME 5.000 3.700 5.000 4.212 2.795 5.103 0.905 28 6 "[ .* 1 . * 2 * .- + 3*]" 1
678 1 47 TYR QB 1 56 MET ME 2.900 . 2.900 3.034 2.662 3.516 0.616 3 3 "[ + - 1 . 2 . 3*]" 1
679 1 40 LEU QD 1 55 ILE MD 3.700 2.900 3.700 3.044 2.266 3.472 0.634 3 2 "[ -+ . 1 . 2 . 3 ]" 1
680 1 40 LEU QD 1 55 ILE MG 3.700 2.900 3.700 2.564 1.889 3.128 1.011 16 10 "[ ** * * 1 ****+ 2 . 3-]" 1
681 1 40 LEU HG 1 74 TRP HH2 5.000 3.700 5.000 4.859 3.802 5.891 0.891 30 1 "[ . 1 . 2 . + ]" 1
682 1 40 LEU HG 1 74 TRP HZ3 5.000 3.700 5.000 4.625 3.696 5.295 0.295 6 0 "[ . 1 . 2 . 3 ]" 1
683 1 36 THR HG1 1 74 TRP HZ3 3.700 2.900 3.700 2.369 2.049 2.896 0.851 6 14 "[*****+* *1* * -** 2 . * ]" 1
684 1 74 TRP HE3 1 77 LEU QD 3.700 3.700 3.700 3.387 2.576 3.696 1.124 16 8 "[ ** . - 1* ***+ 2 . 3 ]" 1
685 1 22 ILE MD 1 23 PHE QE 3.700 2.900 3.700 3.817 3.633 4.090 0.390 9 0 "[ . 1 . 2 . 3 ]" 1
686 1 22 ILE HB 1 23 PHE QE 3.700 2.900 3.700 3.500 3.173 3.890 0.190 10 0 "[ . 1 . 2 . 3 ]" 1
687 1 22 ILE HB 1 23 PHE QD 2.900 . 2.900 2.354 2.119 2.938 0.038 3 0 "[ . 1 . 2 . 3 ]" 1
688 1 31 ALA MB 1 69 ILE H 5.000 3.700 5.000 3.667 3.493 3.833 0.207 30 0 "[ . 1 . 2 . 3 ]" 1
689 1 30 ILE HA 1 31 ALA MB 5.000 3.700 5.000 4.145 3.952 4.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 59 ALA MB 1 74 TRP HZ3 5.000 3.700 5.000 4.513 3.815 5.063 0.063 10 0 "[ . 1 . 2 . 3 ]" 1
691 1 33 VAL QG 1 60 ARG QB 2.900 . 2.900 1.935 1.622 2.863 0.178 29 0 "[ . 1 . 2 . 3 ]" 1
692 1 12 GLU QB 1 82 VAL QG 2.900 . 2.900 2.464 1.711 4.069 1.169 12 4 "[** . 1 + -. 2 . 3 ]" 1
693 1 20 PHE QE 1 70 GLY QA 2.900 2.900 2.900 3.559 3.001 4.191 1.291 4 20 "[**-+******* .*** 2*** * ** ]" 1
694 1 40 LEU QD 1 56 MET ME 2.900 2.900 2.900 2.410 1.830 2.991 1.070 17 14 "[ . 1 . +*******-****3*]" 1
695 1 36 THR HG1 1 56 MET HA 2.900 . 2.900 2.061 1.842 2.156 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 20 PHE QE 1 71 PRO QD 3.700 2.900 3.700 4.427 3.570 4.701 1.001 8 29 "[*******+**-** ************* ***]" 1
697 1 18 LYS H 1 71 PRO HA 20.000 10.000 20.000 11.040 9.999 11.822 0.001 14 0 "[ . 1 . 2 . 3 ]" 1
698 1 47 TYR QE 1 82 VAL QG 5.000 3.700 5.000 3.019 2.037 5.071 1.663 25 19 "[ ****** **- * * ** *+*** 3*]" 1
699 1 47 TYR QD 1 81 TRP HZ3 5.000 3.700 5.000 4.657 4.198 5.075 0.075 6 0 "[ . 1 . 2 . 3 ]" 1
700 1 19 ILE MD 1 39 MET QB 3.700 2.900 3.700 2.027 1.845 2.255 1.055 11 31 [**********+********-***********] 1
701 1 16 CYS QB 1 17 MET ME 5.000 3.700 5.000 5.084 4.696 5.669 0.669 8 3 "[ - . + 1 * 2 . 3 ]" 1
702 1 58 GLU QG 1 77 LEU QD 3.700 3.700 3.700 2.402 2.146 2.717 1.554 12 31 [-**********+*******************] 1
703 1 37 MET ME 1 56 MET ME 5.000 3.700 5.000 4.773 4.641 4.906 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 40 LEU HA 1 45 GLN H 3.700 2.900 3.700 3.598 3.058 3.923 0.223 16 0 "[ . 1 . 2 . 3 ]" 1
705 1 38 ASP HA 1 41 THR HB 3.700 2.900 3.700 3.302 2.898 3.738 0.038 10 0 "[ . 1 . 2 . 3 ]" 1
706 1 40 LEU HA 1 44 GLY H 3.700 2.900 3.700 3.768 2.914 3.912 0.212 21 0 "[ . 1 . 2 . 3 ]" 1
707 1 40 LEU H 1 43 LEU QD 5.000 3.700 5.000 4.270 3.745 4.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 60 ARG HA 1 67 LYS HA 5.000 3.700 5.000 4.808 4.155 5.202 0.202 13 0 "[ . 1 . 2 . 3 ]" 1
709 1 60 ARG HA 1 68 ASN HA 5.000 3.700 5.000 3.925 3.693 5.155 0.155 21 0 "[ . 1 . 2 . 3 ]" 1
710 1 13 LYS H 1 63 LYS HA 35.000 20.000 35.000 28.670 23.374 31.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
711 1 53 GLU QG 1 56 MET ME 5.000 3.700 5.000 3.964 3.382 4.421 0.318 6 0 "[ . 1 . 2 . 3 ]" 1
712 1 73 GLU HA 1 76 THR HG1 2.900 . 2.900 1.883 1.772 2.003 0.028 2 0 "[ . 1 . 2 . 3 ]" 1
713 1 64 GLY QA 1 65 ASP QB 5.000 3.700 5.000 4.416 3.592 4.943 0.108 24 0 "[ . 1 . 2 . 3 ]" 1
714 1 61 GLY QA 1 62 PRO QD 2.900 . 2.900 1.970 1.897 2.085 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 37 MET ME 1 40 LEU QD 5.000 3.700 5.000 3.742 3.089 4.377 0.611 25 1 "[ . 1 . 2 + 3 ]" 1
716 1 36 THR HG1 1 37 MET ME 3.700 2.900 3.700 2.291 1.980 2.854 0.920 10 21 "[***** ***+******* 2* ** *-3 ]" 1
717 1 37 MET ME 1 59 ALA MB 5.000 3.700 5.000 3.926 3.408 4.551 0.292 2 0 "[ . 1 . 2 . 3 ]" 1
718 1 4 LYS HA 1 29 ASN HA 50.000 15.000 50.000 26.062 14.996 35.845 0.004 4 0 "[ . 1 . 2 . 3 ]" 1
719 1 11 GLU QB 1 14 ASP H 5.000 3.700 5.000 3.841 2.857 5.406 0.843 5 13 "[* * + -* 1** *.* ** *. * 3 ]" 1
720 1 19 ILE QG 1 23 PHE QE 3.700 2.900 3.700 3.926 3.031 5.036 1.336 13 7 "[ . **1* + - * 2 * 3 ]" 1
721 1 31 ALA MB 1 69 ILE QG 5.000 3.700 5.000 2.861 2.450 3.436 1.250 12 27 "[*** **** **+******-****** ****]" 1
722 1 69 ILE MG 1 73 GLU QG 2.900 . 2.900 2.035 1.853 2.317 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 69 ILE MG 1 73 GLU HB3 3.700 2.900 3.700 2.914 2.151 3.485 0.749 21 2 "[ . 1 . 2+ . - 3 ]" 1
724 1 32 PRO HA 1 67 LYS HA 6.000 3.700 6.000 6.007 5.537 6.368 0.368 8 0 "[ . 1 . 2 . 3 ]" 1
725 1 59 ALA MB 1 73 GLU QG 5.000 3.700 5.000 4.074 3.289 4.742 0.411 19 0 "[ . 1 . 2 . 3 ]" 1
726 1 59 ALA MB 1 69 ILE MD 3.700 2.900 3.700 2.150 1.804 3.343 1.096 5 26 "[* **+**************** *.* **-*]" 1
727 1 69 ILE QG 1 74 TRP QB 2.900 . 2.900 2.110 1.802 2.719 . 0 0 "[ . 1 . 2 . 3 ]" 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 64
_Distance_constraint_stats_list.Viol_count 1291
_Distance_constraint_stats_list.Viol_total 5202.351
_Distance_constraint_stats_list.Viol_max 4.254
_Distance_constraint_stats_list.Viol_rms 0.3168
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0846
_Distance_constraint_stats_list.Viol_average_violations_only 0.1300
_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 11 GLU 2.321 0.237 11 0 "[ . 1 . 2 . 3 ]"
1 12 GLU 2.055 0.332 9 0 "[ . 1 . 2 . 3 ]"
1 13 LYS 4.082 0.282 20 0 "[ . 1 . 2 . 3 ]"
1 14 ASP 1.074 0.128 20 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 3.662 0.237 11 0 "[ . 1 . 2 . 3 ]"
1 16 CYS 3.475 0.332 9 0 "[ . 1 . 2 . 3 ]"
1 17 MET 5.521 0.282 20 0 "[ . 1 . 2 . 3 ]"
1 18 LYS 3.129 0.183 3 0 "[ . 1 . 2 . 3 ]"
1 19 ILE 4.105 0.192 10 0 "[ . 1 . 2 . 3 ]"
1 20 PHE 1.420 0.113 31 0 "[ . 1 . 2 . 3 ]"
1 21 ASP 1.438 0.152 30 0 "[ . 1 . 2 . 3 ]"
1 22 ILE 2.055 0.183 3 0 "[ . 1 . 2 . 3 ]"
1 23 PHE 2.764 0.192 10 0 "[ . 1 . 2 . 3 ]"
1 24 ASP 90.762 4.254 12 25 "[* **.** **+******** ****-***3*]"
1 29 ASN 90.762 4.254 12 25 "[* **.** **+******** ****-***3*]"
1 31 ALA 4.165 0.182 27 0 "[ . 1 . 2 . 3 ]"
1 33 VAL 4.119 0.161 28 0 "[ . 1 . 2 . 3 ]"
1 34 SER 1.296 0.114 1 0 "[ . 1 . 2 . 3 ]"
1 35 ASP 2.272 0.119 8 0 "[ . 1 . 2 . 3 ]"
1 36 THR 1.108 0.070 24 0 "[ . 1 . 2 . 3 ]"
1 37 MET 5.565 0.161 28 0 "[ . 1 . 2 . 3 ]"
1 38 ASP 2.044 0.114 1 0 "[ . 1 . 2 . 3 ]"
1 39 MET 2.272 0.119 8 0 "[ . 1 . 2 . 3 ]"
1 40 LEU 1.108 0.070 24 0 "[ . 1 . 2 . 3 ]"
1 41 THR 1.446 0.066 2 0 "[ . 1 . 2 . 3 ]"
1 42 LYS 0.749 0.098 31 0 "[ . 1 . 2 . 3 ]"
1 50 ARG 2.542 0.160 29 0 "[ . 1 . 2 . 3 ]"
1 51 GLU 10.127 0.287 15 0 "[ . 1 . 2 . 3 ]"
1 52 THR 4.663 0.182 14 0 "[ . 1 . 2 . 3 ]"
1 53 GLU 0.442 0.082 13 0 "[ . 1 . 2 . 3 ]"
1 54 ALA 3.934 0.160 29 0 "[ . 1 . 2 . 3 ]"
1 55 ILE 15.594 0.287 15 0 "[ . 1 . 2 . 3 ]"
1 56 MET 4.663 0.182 14 0 "[ . 1 . 2 . 3 ]"
1 57 LYS 0.442 0.082 13 0 "[ . 1 . 2 . 3 ]"
1 58 GLU 1.391 0.102 5 0 "[ . 1 . 2 . 3 ]"
1 59 ALA 5.466 0.189 29 0 "[ . 1 . 2 . 3 ]"
1 69 ILE 4.165 0.182 27 0 "[ . 1 . 2 . 3 ]"
1 72 GLU 1.002 0.086 25 0 "[ . 1 . 2 . 3 ]"
1 73 GLU 1.521 0.144 20 0 "[ . 1 . 2 . 3 ]"
1 74 TRP 6.473 0.226 20 0 "[ . 1 . 2 . 3 ]"
1 75 LEU 2.201 0.162 17 0 "[ . 1 . 2 . 3 ]"
1 76 THR 2.338 0.123 16 0 "[ . 1 . 2 . 3 ]"
1 77 LEU 4.507 0.195 16 0 "[ . 1 . 2 . 3 ]"
1 78 CYS 7.135 0.226 20 0 "[ . 1 . 2 . 3 ]"
1 79 SER 4.739 0.247 6 0 "[ . 1 . 2 . 3 ]"
1 80 LYS 1.336 0.123 16 0 "[ . 1 . 2 . 3 ]"
1 81 TRP 2.986 0.195 16 0 "[ . 1 . 2 . 3 ]"
1 82 VAL 0.662 0.089 28 0 "[ . 1 . 2 . 3 ]"
1 83 ARG 2.538 0.247 6 0 "[ . 1 . 2 . 3 ]"
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 24 ASP OD1 1 29 ASN H . . 2.300 4.105 1.671 6.554 4.254 12 25 "[* **.** **+******** **-*****3*]" 2
2 1 24 ASP OD1 1 29 ASN N . 2.800 3.300 4.196 2.438 5.959 2.659 28 20 "[* **.** *** * ** * * **-*+*3*]" 2
3 1 31 ALA O 1 69 ILE H . . 2.000 1.697 1.618 1.765 0.182 27 0 "[ . 1 . 2 . 3 ]" 2
4 1 31 ALA O 1 69 ILE N . 2.700 3.000 2.689 2.610 2.753 0.090 12 0 "[ . 1 . 2 . 3 ]" 2
5 1 31 ALA H 1 69 ILE O . . 2.000 1.810 1.684 1.900 0.116 27 0 "[ . 1 . 2 . 3 ]" 2
6 1 31 ALA N 1 69 ILE O . 2.700 3.000 2.800 2.705 2.904 . 0 0 "[ . 1 . 2 . 3 ]" 2
7 1 11 GLU O 1 15 GLU H . . 2.000 1.993 1.737 2.237 0.237 11 0 "[ . 1 . 2 . 3 ]" 2
8 1 11 GLU O 1 15 GLU N . 2.700 3.000 2.961 2.678 3.174 0.174 11 0 "[ . 1 . 2 . 3 ]" 2
9 1 12 GLU O 1 16 CYS H . . 2.000 1.981 1.790 2.332 0.332 9 0 "[ . 1 . 2 . 3 ]" 2
10 1 12 GLU O 1 16 CYS N . 2.700 3.000 2.965 2.750 3.154 0.154 27 0 "[ . 1 . 2 . 3 ]" 2
11 1 13 LYS O 1 17 MET H . . 2.000 2.052 1.884 2.265 0.265 20 0 "[ . 1 . 2 . 3 ]" 2
12 1 13 LYS O 1 17 MET N . 2.700 3.000 3.063 2.886 3.282 0.282 20 0 "[ . 1 . 2 . 3 ]" 2
13 1 14 ASP O 1 18 LYS H . . 2.000 1.848 1.672 2.061 0.128 20 0 "[ . 1 . 2 . 3 ]" 2
14 1 14 ASP O 1 18 LYS N . 2.700 3.000 2.789 2.654 3.012 0.046 20 0 "[ . 1 . 2 . 3 ]" 2
15 1 15 GLU O 1 19 ILE H . . 2.000 1.885 1.697 2.109 0.109 27 0 "[ . 1 . 2 . 3 ]" 2
16 1 15 GLU O 1 19 ILE N . 2.700 3.000 2.859 2.655 3.103 0.103 27 0 "[ . 1 . 2 . 3 ]" 2
17 1 16 CYS O 1 20 PHE H . . 2.000 1.980 1.694 2.113 0.113 31 0 "[ . 1 . 2 . 3 ]" 2
18 1 16 CYS O 1 20 PHE N . 2.700 3.000 2.941 2.695 3.092 0.092 22 0 "[ . 1 . 2 . 3 ]" 2
19 1 17 MET O 1 21 ASP H . . 2.000 2.029 1.888 2.152 0.152 30 0 "[ . 1 . 2 . 3 ]" 2
20 1 17 MET O 1 21 ASP N . 2.700 3.000 2.910 2.776 3.042 0.042 30 0 "[ . 1 . 2 . 3 ]" 2
21 1 18 LYS O 1 22 ILE H . . 2.000 2.055 1.858 2.183 0.183 3 0 "[ . 1 . 2 . 3 ]" 2
22 1 18 LYS O 1 22 ILE N . 2.700 3.000 2.836 2.687 3.028 0.028 3 0 "[ . 1 . 2 . 3 ]" 2
23 1 19 ILE O 1 23 PHE H . . 2.000 1.735 1.608 1.882 0.192 10 0 "[ . 1 . 2 . 3 ]" 2
24 1 19 ILE O 1 23 PHE N . 2.700 3.000 2.690 2.626 2.823 0.074 20 0 "[ . 1 . 2 . 3 ]" 2
25 1 33 VAL O 1 37 MET H . . 2.000 2.075 1.978 2.161 0.161 28 0 "[ . 1 . 2 . 3 ]" 2
26 1 33 VAL O 1 37 MET N . 2.700 3.000 3.053 2.949 3.146 0.146 27 0 "[ . 1 . 2 . 3 ]" 2
27 1 34 SER O 1 38 ASP H . . 2.000 1.949 1.757 2.090 0.090 1 0 "[ . 1 . 2 . 3 ]" 2
28 1 34 SER O 1 38 ASP N . 2.700 3.000 2.961 2.768 3.114 0.114 1 0 "[ . 1 . 2 . 3 ]" 2
29 1 35 ASP O 1 39 MET H . . 2.000 1.891 1.696 2.101 0.104 6 0 "[ . 1 . 2 . 3 ]" 2
30 1 35 ASP O 1 39 MET N . 2.700 3.000 2.838 2.593 3.119 0.119 8 0 "[ . 1 . 2 . 3 ]" 2
31 1 36 THR O 1 40 LEU H . . 2.000 2.006 1.871 2.069 0.069 15 0 "[ . 1 . 2 . 3 ]" 2
32 1 36 THR O 1 40 LEU N . 2.700 3.000 2.972 2.784 3.070 0.070 24 0 "[ . 1 . 2 . 3 ]" 2
33 1 37 MET O 1 41 THR H . . 2.000 2.031 1.964 2.066 0.066 2 0 "[ . 1 . 2 . 3 ]" 2
34 1 37 MET O 1 41 THR N . 2.700 3.000 3.005 2.933 3.063 0.063 17 0 "[ . 1 . 2 . 3 ]" 2
35 1 38 ASP O 1 42 LYS H . . 2.000 1.946 1.739 2.077 0.077 31 0 "[ . 1 . 2 . 3 ]" 2
36 1 38 ASP O 1 42 LYS N . 2.700 3.000 2.927 2.703 3.098 0.098 31 0 "[ . 1 . 2 . 3 ]" 2
37 1 50 ARG O 1 54 ALA H . . 2.000 2.042 1.928 2.160 0.160 29 0 "[ . 1 . 2 . 3 ]" 2
38 1 50 ARG O 1 54 ALA N . 2.700 3.000 3.035 2.944 3.157 0.157 29 0 "[ . 1 . 2 . 3 ]" 2
39 1 51 GLU O 1 55 ILE H . . 2.000 2.185 2.055 2.287 0.287 15 0 "[ . 1 . 2 . 3 ]" 2
40 1 51 GLU O 1 55 ILE N . 2.700 3.000 3.141 3.052 3.228 0.228 28 0 "[ . 1 . 2 . 3 ]" 2
41 1 52 THR O 1 56 MET H . . 2.000 2.072 1.972 2.182 0.182 14 0 "[ . 1 . 2 . 3 ]" 2
42 1 52 THR O 1 56 MET N . 2.700 3.000 3.076 2.973 3.173 0.173 14 0 "[ . 1 . 2 . 3 ]" 2
43 1 53 GLU O 1 57 LYS H . . 2.000 1.872 1.718 2.032 0.082 13 0 "[ . 1 . 2 . 3 ]" 2
44 1 53 GLU O 1 57 LYS N . 2.700 3.000 2.878 2.733 3.011 0.011 5 0 "[ . 1 . 2 . 3 ]" 2
45 1 54 ALA O 1 58 GLU H . . 2.000 1.843 1.698 2.038 0.102 5 0 "[ . 1 . 2 . 3 ]" 2
46 1 54 ALA O 1 58 GLU N . 2.700 3.000 2.803 2.635 3.046 0.065 12 0 "[ . 1 . 2 . 3 ]" 2
47 1 55 ILE O 1 59 ALA H . . 2.000 2.090 1.922 2.186 0.186 29 0 "[ . 1 . 2 . 3 ]" 2
48 1 55 ILE O 1 59 ALA N . 2.700 3.000 3.076 2.834 3.189 0.189 29 0 "[ . 1 . 2 . 3 ]" 2
49 1 72 GLU O 1 76 THR H . . 2.000 1.840 1.721 2.058 0.079 29 0 "[ . 1 . 2 . 3 ]" 2
50 1 72 GLU O 1 76 THR N . 2.700 3.000 2.840 2.696 3.086 0.086 25 0 "[ . 1 . 2 . 3 ]" 2
51 1 73 GLU O 1 77 LEU H . . 2.000 1.899 1.656 2.056 0.144 20 0 "[ . 1 . 2 . 3 ]" 2
52 1 73 GLU O 1 77 LEU N . 2.700 3.000 2.849 2.627 3.073 0.073 14 0 "[ . 1 . 2 . 3 ]" 2
53 1 74 TRP O 1 78 CYS H . . 2.000 2.120 2.040 2.204 0.204 20 0 "[ . 1 . 2 . 3 ]" 2
54 1 74 TRP O 1 78 CYS N . 2.700 3.000 3.083 2.908 3.226 0.226 20 0 "[ . 1 . 2 . 3 ]" 2
55 1 75 LEU O 1 79 SER H . . 2.000 1.770 1.638 2.009 0.162 17 0 "[ . 1 . 2 . 3 ]" 2
56 1 75 LEU O 1 79 SER N . 2.700 3.000 2.713 2.619 3.013 0.081 9 0 "[ . 1 . 2 . 3 ]" 2
57 1 76 THR O 1 80 LYS H . . 2.000 1.893 1.735 2.109 0.109 16 0 "[ . 1 . 2 . 3 ]" 2
58 1 76 THR O 1 80 LYS N . 2.700 3.000 2.880 2.674 3.123 0.123 16 0 "[ . 1 . 2 . 3 ]" 2
59 1 77 LEU O 1 81 TRP H . . 2.000 1.792 1.605 2.055 0.195 16 0 "[ . 1 . 2 . 3 ]" 2
60 1 77 LEU O 1 81 TRP N . 2.700 3.000 2.762 2.574 3.027 0.126 11 0 "[ . 1 . 2 . 3 ]" 2
61 1 78 CYS O 1 82 VAL H . . 2.000 1.992 1.806 2.089 0.089 28 0 "[ . 1 . 2 . 3 ]" 2
62 1 78 CYS O 1 82 VAL N . 2.700 3.000 2.915 2.705 3.052 0.052 28 0 "[ . 1 . 2 . 3 ]" 2
63 1 79 SER O 1 83 ARG H . . 2.000 2.042 1.842 2.247 0.247 6 0 "[ . 1 . 2 . 3 ]" 2
64 1 79 SER O 1 83 ARG N . 2.700 3.000 2.969 2.678 3.226 0.226 6 0 "[ . 1 . 2 . 3 ]" 2
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