NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
598932 |
2n14   |
25546 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n14
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 1203
_Distance_constraint_stats_list.Viol_count 2893
_Distance_constraint_stats_list.Viol_total 4470.938
_Distance_constraint_stats_list.Viol_max 1.199
_Distance_constraint_stats_list.Viol_rms 0.0580
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0773
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLN 0.220 0.060 2 0 "[ . 1 . 2]"
1 2 ILE 5.110 0.135 13 0 "[ . 1 . 2]"
1 3 ASN 4.680 0.135 13 0 "[ . 1 . 2]"
1 4 GLN 5.463 0.095 3 0 "[ . 1 . 2]"
1 5 VAL 9.491 0.857 7 8 "[* * .*+- 1 *. **]"
1 6 ARG 4.361 0.169 5 0 "[ . 1 . 2]"
1 7 PRO 20.266 1.199 18 8 "[ * . * **- * . *+ 2]"
1 8 LYS 20.154 1.125 3 16 "[ *+ -****** * ******]"
1 9 LEU 14.400 1.125 3 15 "[ *+ -****** * .*****]"
1 10 PRO 1.614 0.158 20 0 "[ . 1 . 2]"
1 11 LEU 9.799 1.199 18 2 "[ . 1 - + 2]"
1 12 LEU 19.015 0.633 1 2 "[+ . 1 - 2]"
1 13 LYS 3.059 0.179 18 0 "[ . 1 . 2]"
1 14 ILE 4.848 1.152 15 3 "[ * -. 1 + 2]"
1 15 LEU 21.767 1.170 13 9 "[-* . * *** + . ** 2]"
1 16 HIS 1.070 0.044 19 0 "[ . 1 . 2]"
1 17 ALA 1.325 0.047 3 0 "[ . 1 . 2]"
1 18 ALA 0.906 0.192 9 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 2.611 0.081 1 0 "[ . 1 . 2]"
1 21 GLN 3.138 0.105 9 0 "[ . 1 . 2]"
1 22 GLY 1.469 0.083 7 0 "[ . 1 . 2]"
1 23 GLU 1.672 0.130 12 0 "[ . 1 . 2]"
1 24 MET 4.583 0.101 18 0 "[ . 1 . 2]"
1 25 PHE 14.406 0.857 7 8 "[* * .*+- 1 *. **]"
1 26 THR 4.153 0.190 16 0 "[ . 1 . 2]"
1 27 VAL 8.768 0.359 14 0 "[ . 1 . 2]"
1 28 LYS 6.622 0.404 16 0 "[ . 1 . 2]"
1 29 GLU 1.308 0.053 1 0 "[ . 1 . 2]"
1 30 VAL 13.817 0.435 16 0 "[ . 1 . 2]"
1 31 MET 8.984 0.359 14 0 "[ . 1 . 2]"
1 32 HIS 1.635 0.053 20 0 "[ . 1 . 2]"
1 33 TYR 5.809 0.435 16 0 "[ . 1 . 2]"
1 34 LEU 2.810 0.762 18 3 "[ - . *1 . + 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 1.952 0.081 1 0 "[ . 1 . 2]"
1 37 TYR 0.364 0.056 20 0 "[ . 1 . 2]"
1 38 ILE 0.843 0.038 6 0 "[ . 1 . 2]"
1 39 MET 0.754 0.045 6 0 "[ . 1 . 2]"
1 40 VAL 4.803 0.192 9 0 "[ . 1 . 2]"
1 41 LYS 2.323 0.120 7 0 "[ . 1 . 2]"
1 42 GLN 3.079 0.116 1 0 "[ . 1 . 2]"
1 43 LEU 4.163 0.767 2 3 "[ + . - *. 2]"
1 44 TYR 1.177 0.062 1 0 "[ . 1 . 2]"
1 45 ASP 0.728 0.081 17 0 "[ . 1 . 2]"
1 46 GLN 1.770 0.180 8 0 "[ . 1 . 2]"
1 47 GLN 1.275 0.069 12 0 "[ . 1 . 2]"
1 48 GLU 3.433 0.108 12 0 "[ . 1 . 2]"
1 49 GLN 0.679 0.060 5 0 "[ . 1 . 2]"
1 50 HIS 2.208 0.093 5 0 "[ . 1 . 2]"
1 51 MET 0.625 0.108 12 0 "[ . 1 . 2]"
1 52 VAL 0.853 0.062 1 0 "[ . 1 . 2]"
1 53 TYR 2.564 0.091 17 0 "[ . 1 . 2]"
1 54 CYS 10.819 0.767 2 3 "[ + . * *. 2]"
1 55 GLY 0.875 0.066 17 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 2.019 0.110 8 0 "[ . 1 . 2]"
1 58 LEU 18.940 1.152 15 10 "[** *. * 1* * +** *]"
1 59 LEU 8.483 0.507 2 1 "[ + . 1 . 2]"
1 60 GLY 1.343 0.199 16 0 "[ . 1 . 2]"
1 61 GLU 28.083 1.119 14 11 "[* * . * 1- *+**** *]"
1 62 LEU 14.288 1.119 14 8 "[ * . 1- *+**** 2]"
1 63 LEU 4.738 0.654 4 2 "[ +. 1 .- 2]"
1 64 GLY 0.007 0.007 7 0 "[ . 1 . 2]"
1 65 ARG 2.842 0.199 16 0 "[ . 1 . 2]"
1 66 GLN 2.697 0.138 4 0 "[ . 1 . 2]"
1 67 SER 2.416 0.138 4 0 "[ . 1 . 2]"
1 68 PHE 3.132 0.762 18 3 "[ - . *1 . + 2]"
1 69 SER 0.342 0.042 19 0 "[ . 1 . 2]"
1 70 VAL 0.027 0.027 9 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PRO 0.065 0.018 17 0 "[ . 1 . 2]"
1 74 SER 0.131 0.034 7 0 "[ . 1 . 2]"
1 75 PRO 0.127 0.024 16 0 "[ . 1 . 2]"
1 76 LEU 0.384 0.155 18 0 "[ . 1 . 2]"
1 77 TYR 1.698 0.155 18 0 "[ . 1 . 2]"
1 78 ASP 2.133 0.077 6 0 "[ . 1 . 2]"
1 79 MET 11.782 0.654 4 4 "[ +. 1 .* *-]"
1 80 LEU 10.977 1.142 17 6 "[ * . 1* * + *-]"
1 81 ARG 2.755 0.103 9 0 "[ . 1 . 2]"
1 82 LYS 2.140 0.103 9 0 "[ . 1 . 2]"
1 83 ASN 6.351 1.155 17 3 "[ - . 1* . + 2]"
1 84 LEU 13.417 1.155 17 6 "[ * .* -1* * + 2]"
1 85 VAL 0.564 0.139 10 0 "[ . 1 . 2]"
1 86 THR 6.654 0.729 6 3 "[ .+ -1 . * 2]"
1 87 LEU 1.989 0.273 8 0 "[ . 1 . 2]"
1 88 ALA 2.567 0.132 12 0 "[ . 1 . 2]"
1 89 THR 2.404 0.132 12 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 89 THR HA 1 89 THR HB . . 2.960 2.523 2.456 2.992 0.032 12 0 "[ . 1 . 2]" 1
2 1 84 LEU H 1 86 THR HB . . 5.450 5.419 4.854 5.558 0.108 10 0 "[ . 1 . 2]" 1
3 1 86 THR H 1 86 THR HB . . 3.570 3.063 2.248 3.360 . 0 0 "[ . 1 . 2]" 1
4 1 86 THR HB 1 87 LEU H . . 3.530 3.587 3.535 3.701 0.171 18 0 "[ . 1 . 2]" 1
5 1 27 VAL HA 1 29 GLU H . . 4.920 4.251 3.978 4.353 . 0 0 "[ . 1 . 2]" 1
6 1 27 VAL HA 1 30 VAL H . . 3.630 3.630 3.142 3.666 0.036 20 0 "[ . 1 . 2]" 1
7 1 30 VAL HA 1 79 MET ME . . 5.110 5.145 5.118 5.173 0.063 6 0 "[ . 1 . 2]" 1
8 1 30 VAL HA 1 33 TYR QD . . 4.310 2.552 2.488 2.760 . 0 0 "[ . 1 . 2]" 1
9 1 30 VAL HA 1 33 TYR H . . 4.620 3.886 3.749 3.996 . 0 0 "[ . 1 . 2]" 1
10 1 15 LEU MD1 1 30 VAL HA . . 4.380 3.537 2.545 4.408 0.028 8 0 "[ . 1 . 2]" 1
11 1 10 PRO HA 1 13 LYS H . . 3.890 3.569 3.314 3.850 . 0 0 "[ . 1 . 2]" 1
12 1 10 PRO HA 1 14 ILE MD . . 5.100 5.063 4.821 5.144 0.044 4 0 "[ . 1 . 2]" 1
13 1 67 SER HB2 1 68 PHE H . . 4.690 2.772 2.604 2.933 . 0 0 "[ . 1 . 2]" 1
14 1 40 VAL HA 1 42 GLN HE22 . . 4.820 4.806 4.677 4.845 0.025 6 0 "[ . 1 . 2]" 1
15 1 53 TYR QD 1 67 SER HB3 . . 4.600 2.312 2.235 2.531 . 0 0 "[ . 1 . 2]" 1
16 1 67 SER HB3 1 68 PHE H . . 4.690 3.912 3.802 4.020 . 0 0 "[ . 1 . 2]" 1
17 1 53 TYR HA 1 67 SER HB3 . . 4.150 3.009 2.830 3.212 . 0 0 "[ . 1 . 2]" 1
18 1 75 PRO HA 1 78 ASP H . . 4.340 3.366 3.044 3.573 . 0 0 "[ . 1 . 2]" 1
19 1 40 VAL HA 1 42 GLN HE21 . . 4.820 3.683 3.547 3.808 . 0 0 "[ . 1 . 2]" 1
20 1 40 VAL HA 1 40 VAL HB . . 2.920 2.993 2.991 2.997 0.077 6 0 "[ . 1 . 2]" 1
21 1 53 TYR QD 1 67 SER HB2 . . 4.600 3.395 2.904 3.736 . 0 0 "[ . 1 . 2]" 1
22 1 75 PRO HA 1 79 MET H . . 5.090 4.117 3.924 4.346 . 0 0 "[ . 1 . 2]" 1
23 1 38 ILE HA 1 43 LEU H . . 4.180 3.692 3.201 3.896 . 0 0 "[ . 1 . 2]" 1
24 1 38 ILE HA 1 38 ILE HG12 . . 3.700 2.827 2.738 2.885 . 0 0 "[ . 1 . 2]" 1
25 1 38 ILE HA 1 38 ILE HG13 . . 3.700 2.853 2.746 2.945 . 0 0 "[ . 1 . 2]" 1
26 1 38 ILE HA 1 38 ILE MG . . 3.560 2.435 2.385 2.540 . 0 0 "[ . 1 . 2]" 1
27 1 69 SER H 1 69 SER HB2 . . 3.940 3.842 2.759 3.982 0.042 19 0 "[ . 1 . 2]" 1
28 1 74 SER HA 1 78 ASP H . . 4.830 3.999 3.830 4.143 . 0 0 "[ . 1 . 2]" 1
29 1 73 PRO QB 1 74 SER HA . . 4.780 4.564 4.483 4.667 . 0 0 "[ . 1 . 2]" 1
30 1 70 VAL HA 1 72 ASP H . . 4.500 4.108 3.593 4.408 . 0 0 "[ . 1 . 2]" 1
31 1 14 ILE HA 1 17 ALA H . . 3.960 3.611 3.341 3.862 . 0 0 "[ . 1 . 2]" 1
32 1 14 ILE HA 1 17 ALA MB . . 3.410 3.008 2.623 3.193 . 0 0 "[ . 1 . 2]" 1
33 1 33 TYR HA 1 36 GLN H . . 4.030 3.637 3.524 3.736 . 0 0 "[ . 1 . 2]" 1
34 1 33 TYR HA 1 33 TYR QD . . 3.470 2.447 2.381 2.650 . 0 0 "[ . 1 . 2]" 1
35 1 33 TYR HA 1 36 GLN HE22 . . 4.750 3.726 3.636 3.816 . 0 0 "[ . 1 . 2]" 1
36 1 72 ASP HA 1 73 PRO HA . . 4.730 4.672 4.617 4.702 . 0 0 "[ . 1 . 2]" 1
37 1 88 ALA MB 1 89 THR HA . . 4.560 4.046 3.916 4.649 0.089 7 0 "[ . 1 . 2]" 1
38 1 33 TYR HA 1 36 GLN QB . . 4.520 4.158 3.941 4.270 . 0 0 "[ . 1 . 2]" 1
39 1 86 THR HA 1 86 THR HB . . 2.900 2.490 2.414 2.670 . 0 0 "[ . 1 . 2]" 1
40 1 37 TYR HA 1 37 TYR QD . . 3.930 3.091 2.181 3.250 . 0 0 "[ . 1 . 2]" 1
41 1 37 TYR HA 1 40 VAL H . . 4.230 3.513 3.431 3.703 . 0 0 "[ . 1 . 2]" 1
42 1 85 VAL HA 1 86 THR H . . 3.180 2.388 2.131 3.319 0.139 10 0 "[ . 1 . 2]" 1
43 1 85 VAL HA 1 86 THR MG . . 5.120 4.090 3.640 4.712 . 0 0 "[ . 1 . 2]" 1
44 1 37 TYR HA 1 40 VAL HB . . 3.940 2.893 2.743 3.094 . 0 0 "[ . 1 . 2]" 1
45 1 7 PRO HA 1 8 LYS H . . 3.130 2.364 2.319 2.435 . 0 0 "[ . 1 . 2]" 1
46 1 74 SER HA 1 74 SER QB . . 2.730 2.317 2.144 2.359 . 0 0 "[ . 1 . 2]" 1
47 1 52 VAL HA 1 53 TYR H . . 3.090 2.158 2.112 2.197 . 0 0 "[ . 1 . 2]" 1
48 1 44 TYR H 1 52 VAL HA . . 4.700 4.571 4.346 4.762 0.062 1 0 "[ . 1 . 2]" 1
49 1 26 THR HA 1 27 VAL H . . 2.970 2.371 2.338 2.410 . 0 0 "[ . 1 . 2]" 1
50 1 5 VAL H 1 26 THR HA . . 4.440 3.971 3.677 4.228 . 0 0 "[ . 1 . 2]" 1
51 1 77 TYR HA 1 79 MET H . . 4.460 4.149 3.937 4.464 0.004 19 0 "[ . 1 . 2]" 1
52 1 77 TYR HA 1 77 TYR QD . . 3.810 2.796 2.575 3.047 . 0 0 "[ . 1 . 2]" 1
53 1 77 TYR HA 1 79 MET QB . . 4.930 4.909 4.704 4.967 0.037 1 0 "[ . 1 . 2]" 1
54 1 2 ILE HA 1 3 ASN H . . 3.150 2.330 2.254 2.441 . 0 0 "[ . 1 . 2]" 1
55 1 2 ILE HA 1 2 ILE HG13 . . 3.930 3.836 3.821 3.858 . 0 0 "[ . 1 . 2]" 1
56 1 44 TYR HA 1 52 VAL HA . . 3.980 2.161 2.050 2.399 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU HA 1 12 LEU HB3 . . 4.180 2.489 2.196 2.883 . 0 0 "[ . 1 . 2]" 1
58 1 80 LEU H 1 81 ARG HA . . 5.290 5.272 5.186 5.346 0.056 17 0 "[ . 1 . 2]" 1
59 1 13 LYS HA 1 16 HIS H . . 3.990 3.322 2.844 3.587 . 0 0 "[ . 1 . 2]" 1
60 1 13 LYS HA 1 13 LYS QD . . 3.720 2.806 2.187 3.899 0.179 18 0 "[ . 1 . 2]" 1
61 1 13 LYS HA 1 13 LYS QG . . 3.810 2.862 2.420 3.364 . 0 0 "[ . 1 . 2]" 1
62 1 29 GLU HA 1 32 HIS H . . 4.540 3.353 3.302 3.415 . 0 0 "[ . 1 . 2]" 1
63 1 29 GLU HA 1 32 HIS HB2 . . 3.600 3.633 3.625 3.653 0.053 1 0 "[ . 1 . 2]" 1
64 1 29 GLU HA 1 32 HIS HB3 . . 3.600 2.327 2.268 2.404 . 0 0 "[ . 1 . 2]" 1
65 1 61 GLU HA 1 61 GLU QB . . 2.660 2.306 2.276 2.402 . 0 0 "[ . 1 . 2]" 1
66 1 58 LEU QD 1 61 GLU HA . . 5.290 5.582 4.999 6.341 1.051 20 7 "[* . * 1* * .*- +]" 1
67 1 79 MET HA 1 79 MET QG . . 3.790 2.978 2.706 3.148 . 0 0 "[ . 1 . 2]" 1
68 1 79 MET HA 1 80 LEU QD . . 5.050 5.195 4.904 5.574 0.524 19 2 "[ . 1 . +-]" 1
69 1 36 GLN HA 1 36 GLN QG . . 3.510 3.360 3.352 3.371 . 0 0 "[ . 1 . 2]" 1
70 1 36 GLN HA 1 39 MET QB . . 4.210 2.237 2.120 2.364 . 0 0 "[ . 1 . 2]" 1
71 1 80 LEU HA 1 80 LEU HG . . 3.940 3.066 2.752 3.759 . 0 0 "[ . 1 . 2]" 1
72 1 80 LEU HA 1 80 LEU QD . . 3.130 2.385 2.067 3.452 0.322 19 0 "[ . 1 . 2]" 1
73 1 80 LEU HA 1 83 ASN H . . 4.040 3.282 3.011 3.509 . 0 0 "[ . 1 . 2]" 1
74 1 78 ASP HA 1 81 ARG H . . 4.520 3.557 3.431 3.696 . 0 0 "[ . 1 . 2]" 1
75 1 58 LEU HA 1 62 LEU H . . 4.410 3.891 3.734 4.000 . 0 0 "[ . 1 . 2]" 1
76 1 58 LEU HA 1 61 GLU H . . 3.780 3.067 2.958 3.269 . 0 0 "[ . 1 . 2]" 1
77 1 58 LEU HA 1 61 GLU QB . . 3.270 2.100 2.008 2.161 . 0 0 "[ . 1 . 2]" 1
78 1 59 LEU HA 1 59 LEU HG . . 3.650 3.209 3.135 3.324 . 0 0 "[ . 1 . 2]" 1
79 1 14 ILE MD 1 59 LEU HA . . 3.640 3.305 2.500 3.639 . 0 0 "[ . 1 . 2]" 1
80 1 59 LEU HA 1 59 LEU MD2 . . 4.230 3.882 3.831 3.945 . 0 0 "[ . 1 . 2]" 1
81 1 59 LEU HA 1 62 LEU H . . 3.820 3.266 3.137 3.627 . 0 0 "[ . 1 . 2]" 1
82 1 14 ILE MG 1 15 LEU HA . . 4.570 3.672 3.429 3.841 . 0 0 "[ . 1 . 2]" 1
83 1 15 LEU HA 1 15 LEU MD2 . . 4.560 2.567 2.119 3.678 . 0 0 "[ . 1 . 2]" 1
84 1 15 LEU HA 1 18 ALA MB . . 4.080 2.805 2.231 3.265 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU HA 1 15 LEU H . . 3.990 3.583 3.415 3.785 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU HA 1 15 LEU HB2 . . 4.590 3.190 2.783 3.740 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 15 LEU HB3 . . 4.590 4.579 4.119 4.719 0.129 6 0 "[ . 1 . 2]" 1
88 1 53 TYR HA 1 54 CYS H . . 3.120 2.291 2.090 2.477 . 0 0 "[ . 1 . 2]" 1
89 1 53 TYR HA 1 67 SER HB2 . . 4.150 3.592 3.393 3.986 . 0 0 "[ . 1 . 2]" 1
90 1 53 TYR HA 1 53 TYR QD . . 4.030 2.418 2.223 2.545 . 0 0 "[ . 1 . 2]" 1
91 1 78 ASP HA 1 81 ARG QB . . 3.580 3.623 3.600 3.649 0.069 13 0 "[ . 1 . 2]" 1
92 1 82 LYS HA 1 82 LYS QG . . 3.720 2.602 2.416 3.369 . 0 0 "[ . 1 . 2]" 1
93 1 8 LYS HA 1 8 LYS QG . . 3.370 2.642 2.356 3.381 0.011 8 0 "[ . 1 . 2]" 1
94 1 25 PHE HA 1 25 PHE QD . . 3.690 3.723 3.709 3.730 0.040 10 0 "[ . 1 . 2]" 1
95 1 2 ILE MD 1 25 PHE HA . . 5.200 2.632 2.434 2.823 . 0 0 "[ . 1 . 2]" 1
96 1 25 PHE HA 1 26 THR H . . 3.010 2.475 2.438 2.539 . 0 0 "[ . 1 . 2]" 1
97 1 39 MET HA 1 40 VAL HA . . 4.810 4.799 4.758 4.831 0.021 16 0 "[ . 1 . 2]" 1
98 1 54 CYS H 1 66 GLN HA . . 4.220 3.548 3.218 4.220 . 0 0 "[ . 1 . 2]" 1
99 1 66 GLN HA 1 67 SER HA . . 4.680 4.270 4.198 4.320 . 0 0 "[ . 1 . 2]" 1
100 1 66 GLN HA 1 66 GLN QG . . 3.600 2.529 2.125 3.330 . 0 0 "[ . 1 . 2]" 1
101 1 61 GLU H 1 62 LEU HA . . 5.310 5.339 5.330 5.357 0.047 18 0 "[ . 1 . 2]" 1
102 1 76 LEU HA 1 79 MET H . . 4.110 3.545 3.388 3.857 . 0 0 "[ . 1 . 2]" 1
103 1 53 TYR HA 1 67 SER HA . . 3.720 2.599 2.262 3.171 . 0 0 "[ . 1 . 2]" 1
104 1 6 ARG HA 1 23 GLU HA . . 4.670 4.751 4.692 4.800 0.130 12 0 "[ . 1 . 2]" 1
105 1 23 GLU HA 1 25 PHE QE . . 3.810 2.737 2.518 3.005 . 0 0 "[ . 1 . 2]" 1
106 1 63 LEU HA 1 79 MET QB . . 4.570 3.065 2.197 3.842 . 0 0 "[ . 1 . 2]" 1
107 1 42 GLN HA 1 44 TYR QE . . 3.580 2.405 2.236 2.548 . 0 0 "[ . 1 . 2]" 1
108 1 11 LEU HA 1 14 ILE MD . . 4.220 2.254 2.037 3.677 . 0 0 "[ . 1 . 2]" 1
109 1 11 LEU HA 1 58 LEU QD . . 4.890 4.774 4.327 5.426 0.536 15 1 "[ . 1 + 2]" 1
110 1 4 GLN HA 1 26 THR HA . . 3.840 3.898 3.872 3.926 0.086 9 0 "[ . 1 . 2]" 1
111 1 68 PHE QD 1 69 SER HA . . 5.070 3.670 3.483 3.911 . 0 0 "[ . 1 . 2]" 1
112 1 87 LEU HA 1 88 ALA H . . 3.160 2.413 2.212 3.211 0.051 14 0 "[ . 1 . 2]" 1
113 1 69 SER HA 1 71 LYS H . . 4.820 4.018 3.798 4.177 . 0 0 "[ . 1 . 2]" 1
114 1 21 GLN HA 1 22 GLY H . . 2.850 2.526 2.347 2.712 . 0 0 "[ . 1 . 2]" 1
115 1 16 HIS HD2 1 21 GLN HA . . 4.870 2.727 2.390 3.260 . 0 0 "[ . 1 . 2]" 1
116 1 21 GLN HA 1 21 GLN QG . . 3.570 2.805 2.407 3.421 . 0 0 "[ . 1 . 2]" 1
117 1 20 ALA MB 1 21 GLN HA . . 5.090 3.845 3.765 3.904 . 0 0 "[ . 1 . 2]" 1
118 1 2 ILE MD 1 24 MET HA . . 5.260 4.107 3.102 5.199 . 0 0 "[ . 1 . 2]" 1
119 1 6 ARG HA 1 24 MET HA . . 3.810 2.354 2.070 2.765 . 0 0 "[ . 1 . 2]" 1
120 1 6 ARG HB2 1 24 MET HA . . 4.840 2.845 2.545 3.142 . 0 0 "[ . 1 . 2]" 1
121 1 45 ASP HA 1 46 GLN H . . 2.860 2.213 2.123 2.319 . 0 0 "[ . 1 . 2]" 1
122 1 6 ARG HA 1 24 MET H . . 4.640 3.502 3.400 3.616 . 0 0 "[ . 1 . 2]" 1
123 1 57 ASP HA 1 59 LEU H . . 4.310 4.055 3.937 4.334 0.024 2 0 "[ . 1 . 2]" 1
124 1 57 ASP HA 1 58 LEU HA . . 4.660 4.347 4.290 4.393 . 0 0 "[ . 1 . 2]" 1
125 1 57 ASP HA 1 58 LEU H . . 3.530 2.264 2.219 2.402 . 0 0 "[ . 1 . 2]" 1
126 1 87 LEU QB 1 88 ALA HA . . 4.170 4.074 3.906 4.209 0.039 14 0 "[ . 1 . 2]" 1
127 1 86 THR MG 1 88 ALA HA . . 5.060 4.709 3.794 5.061 0.001 6 0 "[ . 1 . 2]" 1
128 1 18 ALA MB 1 20 ALA HA . . 5.370 5.192 4.673 5.378 0.008 7 0 "[ . 1 . 2]" 1
129 1 6 ARG HA 1 6 ARG QG . . 3.950 2.563 2.414 2.751 . 0 0 "[ . 1 . 2]" 1
130 1 6 ARG HA 1 24 MET QB . . 3.570 2.794 2.687 2.948 . 0 0 "[ . 1 . 2]" 1
131 1 6 ARG HA 1 6 ARG QD . . 4.780 3.617 3.064 4.086 . 0 0 "[ . 1 . 2]" 1
132 1 88 ALA HA 1 89 THR HB . . 4.000 3.980 3.887 4.024 0.024 7 0 "[ . 1 . 2]" 1
133 1 20 ALA HA 1 21 GLN H . . 2.840 2.729 2.595 2.848 0.008 1 0 "[ . 1 . 2]" 1
134 1 20 ALA HA 1 21 GLN QG . . 4.830 3.907 3.666 4.552 . 0 0 "[ . 1 . 2]" 1
135 1 18 ALA HA 1 40 VAL MG2 . . 4.620 3.658 3.043 4.305 . 0 0 "[ . 1 . 2]" 1
136 1 18 ALA HA 1 36 GLN QG . . 4.970 3.824 3.510 4.206 . 0 0 "[ . 1 . 2]" 1
137 1 72 ASP HA 1 74 SER H . . 4.390 3.227 2.987 3.548 . 0 0 "[ . 1 . 2]" 1
138 1 72 ASP HA 1 73 PRO HD2 . . 3.770 2.367 2.208 2.506 . 0 0 "[ . 1 . 2]" 1
139 1 72 ASP HA 1 73 PRO HD3 . . 3.770 3.087 2.873 3.225 . 0 0 "[ . 1 . 2]" 1
140 1 9 LEU H 1 10 PRO HD2 . . 4.260 3.028 2.761 3.474 . 0 0 "[ . 1 . 2]" 1
141 1 60 GLY QA 1 65 ARG HA . . 4.610 4.671 4.628 4.809 0.199 16 0 "[ . 1 . 2]" 1
142 1 60 GLY QA 1 65 ARG H . . 4.440 3.356 2.864 3.783 . 0 0 "[ . 1 . 2]" 1
143 1 54 CYS HB2 1 60 GLY QA . . 4.520 3.103 2.762 3.546 . 0 0 "[ . 1 . 2]" 1
144 1 54 CYS HB3 1 60 GLY QA . . 4.520 2.498 2.097 3.543 . 0 0 "[ . 1 . 2]" 1
145 1 57 ASP HB2 1 60 GLY H . . 4.620 4.375 4.187 4.630 0.010 2 0 "[ . 1 . 2]" 1
146 1 55 GLY HA2 1 66 GLN QG . . 4.780 3.082 2.310 3.509 . 0 0 "[ . 1 . 2]" 1
147 1 55 GLY HA3 1 66 GLN QG . . 4.780 4.630 3.808 4.812 0.032 2 0 "[ . 1 . 2]" 1
148 1 57 ASP HB3 1 59 LEU H . . 4.520 3.040 2.669 3.183 . 0 0 "[ . 1 . 2]" 1
149 1 57 ASP HB3 1 60 GLY H . . 4.620 2.712 2.486 3.105 . 0 0 "[ . 1 . 2]" 1
150 1 25 PHE HB3 1 26 THR H . . 4.120 3.424 3.351 3.490 . 0 0 "[ . 1 . 2]" 1
151 1 6 ARG QD 1 24 MET QB . . 3.360 3.277 2.817 3.447 0.087 17 0 "[ . 1 . 2]" 1
152 1 81 ARG HA 1 81 ARG QD . . 4.040 3.921 3.790 4.062 0.022 9 0 "[ . 1 . 2]" 1
153 1 81 ARG H 1 81 ARG QD . . 4.510 3.969 3.701 4.265 . 0 0 "[ . 1 . 2]" 1
154 1 81 ARG QD 1 82 LYS QE . . 4.870 4.769 3.948 4.895 0.025 2 0 "[ . 1 . 2]" 1
155 1 81 ARG QB 1 81 ARG QD . . 3.480 2.484 2.333 2.943 . 0 0 "[ . 1 . 2]" 1
156 1 65 ARG QD 1 75 PRO HB3 . . 4.880 2.582 2.110 3.773 . 0 0 "[ . 1 . 2]" 1
157 1 78 ASP HA 1 81 ARG QD . . 4.130 3.699 3.121 3.940 . 0 0 "[ . 1 . 2]" 1
158 1 60 GLY QA 1 63 LEU HB2 . . 4.470 2.888 2.554 3.218 . 0 0 "[ . 1 . 2]" 1
159 1 63 LEU H 1 63 LEU HB3 . . 3.780 3.535 3.427 3.600 . 0 0 "[ . 1 . 2]" 1
160 1 60 GLY QA 1 63 LEU HB3 . . 4.470 4.269 3.842 4.485 0.015 17 0 "[ . 1 . 2]" 1
161 1 26 THR HB 1 28 LYS HE2 . . 3.710 3.339 3.206 3.720 0.010 18 0 "[ . 1 . 2]" 1
162 1 26 THR HB 1 28 LYS HE3 . . 3.710 3.602 3.202 3.726 0.016 20 0 "[ . 1 . 2]" 1
163 1 79 MET QG 1 82 LYS QE . . 4.850 4.410 3.706 4.852 0.002 1 0 "[ . 1 . 2]" 1
164 1 82 LYS QE 1 83 ASN H . . 4.620 4.624 4.408 4.682 0.062 19 0 "[ . 1 . 2]" 1
165 1 82 LYS H 1 82 LYS QE . . 5.040 3.856 3.268 4.058 . 0 0 "[ . 1 . 2]" 1
166 1 10 PRO HA 1 13 LYS QE . . 4.750 3.457 2.030 4.776 0.026 5 0 "[ . 1 . 2]" 1
167 1 17 ALA MB 1 41 LYS QE . . 3.600 3.189 2.620 3.620 0.020 19 0 "[ . 1 . 2]" 1
168 1 83 ASN HB2 1 84 LEU H . . 3.750 3.298 2.245 3.791 0.041 10 0 "[ . 1 . 2]" 1
169 1 83 ASN HB3 1 84 LEU H . . 3.750 2.710 2.094 3.577 . 0 0 "[ . 1 . 2]" 1
170 1 59 LEU HB2 1 60 GLY H . . 4.640 4.023 3.884 4.076 . 0 0 "[ . 1 . 2]" 1
171 1 41 LYS QZ 1 59 LEU HB2 . . 4.890 4.576 4.402 4.702 . 0 0 "[ . 1 . 2]" 1
172 1 59 LEU HB3 1 60 GLY H . . 4.640 2.750 2.518 2.847 . 0 0 "[ . 1 . 2]" 1
173 1 41 LYS QZ 1 59 LEU HB3 . . 4.890 4.889 4.754 4.928 0.038 12 0 "[ . 1 . 2]" 1
174 1 62 LEU H 1 62 LEU HB3 . . 3.520 2.419 2.305 2.706 . 0 0 "[ . 1 . 2]" 1
175 1 79 MET QB 1 82 LYS QE . . 4.460 4.373 3.778 4.484 0.024 20 0 "[ . 1 . 2]" 1
176 1 79 MET HA 1 82 LYS QE . . 4.190 2.891 2.004 3.264 . 0 0 "[ . 1 . 2]" 1
177 1 41 LYS HA 1 41 LYS QE . . 4.740 3.790 2.891 4.245 . 0 0 "[ . 1 . 2]" 1
178 1 83 ASN H 1 83 ASN HB2 . . 3.910 2.638 2.386 2.933 . 0 0 "[ . 1 . 2]" 1
179 1 12 LEU HB2 1 13 LYS H . . 4.010 3.974 3.808 4.047 0.037 9 0 "[ . 1 . 2]" 1
180 1 9 LEU HA 1 12 LEU HB2 . . 4.180 3.469 2.955 3.978 . 0 0 "[ . 1 . 2]" 1
181 1 80 LEU HB2 1 81 ARG H . . 4.390 3.082 2.626 4.103 . 0 0 "[ . 1 . 2]" 1
182 1 80 LEU HB3 1 81 ARG H . . 4.390 3.839 3.351 4.410 0.020 2 0 "[ . 1 . 2]" 1
183 1 78 ASP H 1 78 ASP HB2 . . 3.430 2.346 2.268 2.458 . 0 0 "[ . 1 . 2]" 1
184 1 78 ASP HB3 1 79 MET H . . 3.810 2.752 2.570 2.851 . 0 0 "[ . 1 . 2]" 1
185 1 78 ASP H 1 78 ASP HB3 . . 3.430 2.610 2.505 2.729 . 0 0 "[ . 1 . 2]" 1
186 1 44 TYR HB2 1 45 ASP H . . 4.860 2.440 2.332 2.582 . 0 0 "[ . 1 . 2]" 1
187 1 44 TYR HB3 1 45 ASP H . . 4.860 3.687 3.597 3.802 . 0 0 "[ . 1 . 2]" 1
188 1 3 ASN HB3 1 4 GLN H . . 4.440 4.437 4.271 4.480 0.040 2 0 "[ . 1 . 2]" 1
189 1 2 ILE HB 1 3 ASN HA . . 4.490 4.583 4.560 4.625 0.135 13 0 "[ . 1 . 2]" 1
190 1 2 ILE H 1 2 ILE HB . . 3.690 3.669 3.565 3.747 0.057 2 0 "[ . 1 . 2]" 1
191 1 15 LEU H 1 15 LEU HB3 . . 3.860 3.488 3.346 3.548 . 0 0 "[ . 1 . 2]" 1
192 1 15 LEU HB3 1 20 ALA MB . . 3.840 2.064 1.995 2.177 . 0 0 "[ . 1 . 2]" 1
193 1 37 TYR HB2 1 38 ILE H . . 4.160 3.783 3.668 3.877 . 0 0 "[ . 1 . 2]" 1
194 1 37 TYR HB3 1 38 ILE H . . 4.160 2.414 2.320 2.497 . 0 0 "[ . 1 . 2]" 1
195 1 18 ALA MB 1 37 TYR HB3 . . 4.190 3.507 3.440 3.569 . 0 0 "[ . 1 . 2]" 1
196 1 26 THR HB 1 29 GLU HG2 . . 4.710 3.318 2.793 4.728 0.018 10 0 "[ . 1 . 2]" 1
197 1 29 GLU HA 1 29 GLU HG2 . . 3.920 3.086 2.389 3.230 . 0 0 "[ . 1 . 2]" 1
198 1 29 GLU HA 1 29 GLU HG3 . . 3.920 3.717 3.134 3.793 . 0 0 "[ . 1 . 2]" 1
199 1 26 THR HB 1 29 GLU HG3 . . 4.710 4.141 2.971 4.590 . 0 0 "[ . 1 . 2]" 1
200 1 38 ILE HB 1 39 MET H . . 4.090 2.555 2.408 2.641 . 0 0 "[ . 1 . 2]" 1
201 1 77 TYR HB2 1 78 ASP H . . 4.650 2.885 2.745 2.995 . 0 0 "[ . 1 . 2]" 1
202 1 77 TYR HB3 1 78 ASP H . . 4.650 3.831 3.698 3.987 . 0 0 "[ . 1 . 2]" 1
203 1 23 GLU H 1 23 GLU HG2 . . 4.480 4.181 3.617 4.357 . 0 0 "[ . 1 . 2]" 1
204 1 23 GLU HA 1 23 GLU HG2 . . 3.790 2.522 2.441 2.605 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU HA 1 14 ILE HB . . 4.420 3.562 3.131 4.096 . 0 0 "[ . 1 . 2]" 1
206 1 47 GLN H 1 48 GLU HG2 . . 4.760 4.039 3.808 4.829 0.069 12 0 "[ . 1 . 2]" 1
207 1 48 GLU HA 1 48 GLU HG2 . . 3.980 3.581 2.443 3.680 . 0 0 "[ . 1 . 2]" 1
208 1 23 GLU HA 1 23 GLU HG3 . . 3.790 3.169 3.080 3.288 . 0 0 "[ . 1 . 2]" 1
209 1 47 GLN H 1 48 GLU HG3 . . 4.760 4.639 4.106 4.777 0.017 18 0 "[ . 1 . 2]" 1
210 1 48 GLU HA 1 48 GLU HG3 . . 3.980 3.858 3.444 3.904 . 0 0 "[ . 1 . 2]" 1
211 1 58 LEU QD 1 61 GLU QG . . 3.870 3.370 2.269 4.906 1.036 16 4 "[ . 1* * .+- 2]" 1
212 1 6 ARG H 1 24 MET QB . . 5.290 5.351 5.313 5.386 0.096 5 0 "[ . 1 . 2]" 1
213 1 24 MET QB 1 25 PHE H . . 3.890 3.967 3.947 3.991 0.101 18 0 "[ . 1 . 2]" 1
214 1 23 GLU H 1 24 MET QB . . 4.520 3.394 3.191 4.069 . 0 0 "[ . 1 . 2]" 1
215 1 65 ARG HA 1 66 GLN QG . . 4.210 3.672 3.232 4.324 0.114 17 0 "[ . 1 . 2]" 1
216 1 42 GLN HA 1 42 GLN QG . . 3.410 3.393 3.369 3.407 . 0 0 "[ . 1 . 2]" 1
217 1 41 LYS QB 1 42 GLN QG . . 4.830 4.491 4.359 4.604 . 0 0 "[ . 1 . 2]" 1
218 1 42 GLN QG 1 43 LEU HA . . 4.480 4.512 4.490 4.557 0.077 6 0 "[ . 1 . 2]" 1
219 1 66 GLN QG 1 67 SER H . . 4.380 4.217 3.459 4.518 0.138 4 0 "[ . 1 . 2]" 1
220 1 46 GLN QG 1 47 GLN HE21 . . 5.020 4.716 3.851 5.033 0.013 3 0 "[ . 1 . 2]" 1
221 1 46 GLN H 1 46 GLN QG . . 3.420 2.629 1.804 3.600 0.180 8 0 "[ . 1 . 2]" 1
222 1 46 GLN HA 1 46 GLN QG . . 3.380 2.725 2.128 3.372 . 0 0 "[ . 1 . 2]" 1
223 1 46 GLN QG 1 47 GLN HE22 . . 5.020 4.384 3.674 5.027 0.007 9 0 "[ . 1 . 2]" 1
224 1 47 GLN HA 1 47 GLN QG . . 3.380 2.735 2.359 3.189 . 0 0 "[ . 1 . 2]" 1
225 1 47 GLN H 1 47 GLN QG . . 3.720 3.023 2.255 3.739 0.019 13 0 "[ . 1 . 2]" 1
226 1 79 MET HA 1 82 LYS QB . . 4.490 3.871 3.422 4.536 0.046 19 0 "[ . 1 . 2]" 1
227 1 36 GLN H 1 36 GLN QG . . 3.430 2.265 2.039 2.567 . 0 0 "[ . 1 . 2]" 1
228 1 33 TYR HA 1 36 GLN QG . . 3.300 2.100 2.074 2.131 . 0 0 "[ . 1 . 2]" 1
229 1 36 GLN QG 1 37 TYR H . . 3.780 2.665 2.587 2.723 . 0 0 "[ . 1 . 2]" 1
230 1 6 ARG H 1 6 ARG HB2 . . 3.900 3.487 3.273 3.648 . 0 0 "[ . 1 . 2]" 1
231 1 6 ARG HB3 1 24 MET HA . . 4.840 4.347 4.077 4.643 . 0 0 "[ . 1 . 2]" 1
232 1 31 MET H 1 31 MET HB3 . . 3.950 2.461 2.386 2.521 . 0 0 "[ . 1 . 2]" 1
233 1 23 GLU HB2 1 24 MET H . . 4.800 4.070 3.999 4.127 . 0 0 "[ . 1 . 2]" 1
234 1 23 GLU HB3 1 24 MET H . . 4.800 4.469 4.399 4.510 . 0 0 "[ . 1 . 2]" 1
235 1 28 LYS H 1 28 LYS QB . . 3.430 2.538 2.448 2.588 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS QB 1 14 ILE H . . 4.030 2.992 2.479 3.769 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLN H 1 21 GLN QB . . 3.820 2.929 2.697 3.334 . 0 0 "[ . 1 . 2]" 1
238 1 4 GLN QB 1 26 THR HA . . 3.630 2.340 2.003 2.914 . 0 0 "[ . 1 . 2]" 1
239 1 39 MET H 1 39 MET QB . . 3.730 2.150 1.996 2.221 . 0 0 "[ . 1 . 2]" 1
240 1 38 ILE MG 1 39 MET QB . . 4.590 4.107 3.785 4.320 . 0 0 "[ . 1 . 2]" 1
241 1 10 PRO HB2 1 11 LEU H . . 4.310 3.386 2.888 3.708 . 0 0 "[ . 1 . 2]" 1
242 1 45 ASP H 1 51 MET QG . . 4.740 3.911 3.298 4.182 . 0 0 "[ . 1 . 2]" 1
243 1 29 GLU HB3 1 30 VAL H . . 4.200 3.669 3.609 3.780 . 0 0 "[ . 1 . 2]" 1
244 1 65 ARG QD 1 75 PRO HB2 . . 4.880 3.935 3.542 4.618 . 0 0 "[ . 1 . 2]" 1
245 1 40 VAL HB 1 42 GLN H . . 4.780 4.768 4.685 4.794 0.014 16 0 "[ . 1 . 2]" 1
246 1 27 VAL HB 1 86 THR MG . . 4.640 4.608 4.259 4.671 0.031 3 0 "[ . 1 . 2]" 1
247 1 10 PRO HB3 1 11 LEU H . . 4.310 4.303 4.177 4.348 0.038 12 0 "[ . 1 . 2]" 1
248 1 39 MET QG 1 40 VAL H . . 4.530 4.084 3.872 4.553 0.023 8 0 "[ . 1 . 2]" 1
249 1 32 HIS HB3 1 33 TYR H . . 3.920 2.613 2.527 2.710 . 0 0 "[ . 1 . 2]" 1
250 1 32 HIS H 1 32 HIS HB3 . . 3.650 2.112 2.080 2.141 . 0 0 "[ . 1 . 2]" 1
251 1 47 GLN H 1 47 GLN HB2 . . 3.610 2.452 2.283 2.570 . 0 0 "[ . 1 . 2]" 1
252 1 47 GLN H 1 47 GLN HB3 . . 3.610 3.609 3.549 3.645 0.035 5 0 "[ . 1 . 2]" 1
253 1 54 CYS HA 1 66 GLN QB . . 4.800 4.739 4.278 4.842 0.042 20 0 "[ . 1 . 2]" 1
254 1 54 CYS H 1 66 GLN QB . . 3.970 3.262 2.895 3.642 . 0 0 "[ . 1 . 2]" 1
255 1 48 GLU QB 1 50 HIS HA . . 5.050 5.104 5.071 5.143 0.093 5 0 "[ . 1 . 2]" 1
256 1 54 CYS HB2 1 60 GLY H . . 4.620 4.273 3.966 4.624 0.004 19 0 "[ . 1 . 2]" 1
257 1 54 CYS HB3 1 60 GLY H . . 4.620 2.771 2.515 3.085 . 0 0 "[ . 1 . 2]" 1
258 1 48 GLU QB 1 51 MET H . . 4.710 3.037 2.316 3.226 . 0 0 "[ . 1 . 2]" 1
259 1 8 LYS QD 1 11 LEU H . . 4.860 4.834 4.543 4.880 0.020 18 0 "[ . 1 . 2]" 1
260 1 10 PRO HA 1 13 LYS QD . . 4.570 3.722 2.826 4.589 0.019 11 0 "[ . 1 . 2]" 1
261 1 49 GLN QB 1 50 HIS HA . . 4.060 4.091 4.075 4.120 0.060 5 0 "[ . 1 . 2]" 1
262 1 75 PRO QG 1 76 LEU H . . 4.760 3.998 2.800 4.311 . 0 0 "[ . 1 . 2]" 1
263 1 41 LYS H 1 41 LYS HD2 . . 4.610 3.520 2.695 4.143 . 0 0 "[ . 1 . 2]" 1
264 1 41 LYS HA 1 41 LYS HD2 . . 4.150 2.418 2.278 2.871 . 0 0 "[ . 1 . 2]" 1
265 1 41 LYS H 1 41 LYS HD3 . . 4.610 3.488 2.958 4.045 . 0 0 "[ . 1 . 2]" 1
266 1 41 LYS HA 1 41 LYS HD3 . . 4.150 3.403 2.592 4.059 . 0 0 "[ . 1 . 2]" 1
267 1 7 PRO QG 1 24 MET H . . 3.940 3.982 3.939 4.013 0.073 19 0 "[ . 1 . 2]" 1
268 1 6 ARG QG 1 24 MET HA . . 4.910 3.328 2.756 3.894 . 0 0 "[ . 1 . 2]" 1
269 1 6 ARG QG 1 24 MET QB . . 3.070 2.213 1.979 2.563 . 0 0 "[ . 1 . 2]" 1
270 1 6 ARG H 1 6 ARG QG . . 4.630 4.332 4.085 4.559 . 0 0 "[ . 1 . 2]" 1
271 1 2 ILE HA 1 2 ILE HG12 . . 3.930 3.759 3.729 3.780 . 0 0 "[ . 1 . 2]" 1
272 1 80 LEU H 1 80 LEU HG . . 4.030 2.410 2.027 2.659 . 0 0 "[ . 1 . 2]" 1
273 1 9 LEU H 1 9 LEU HG . . 4.390 3.366 2.102 4.443 0.053 8 0 "[ . 1 . 2]" 1
274 1 12 LEU HG 1 21 GLN HA . . 4.190 4.255 4.215 4.295 0.105 9 0 "[ . 1 . 2]" 1
275 1 63 LEU H 1 63 LEU HG . . 4.180 3.494 2.417 4.202 0.022 1 0 "[ . 1 . 2]" 1
276 1 87 LEU H 1 87 LEU HG . . 4.140 2.859 2.181 4.150 0.010 11 0 "[ . 1 . 2]" 1
277 1 63 LEU H 1 63 LEU MD1 . . 4.560 2.945 2.456 3.608 . 0 0 "[ . 1 . 2]" 1
278 1 63 LEU MD1 1 68 PHE QE . . 4.460 3.456 2.169 4.461 0.001 7 0 "[ . 1 . 2]" 1
279 1 63 LEU MD1 1 76 LEU HA . . 4.780 3.821 3.055 4.652 . 0 0 "[ . 1 . 2]" 1
280 1 63 LEU HA 1 63 LEU MD1 . . 4.630 3.008 2.280 3.899 . 0 0 "[ . 1 . 2]" 1
281 1 43 LEU H 1 43 LEU HG . . 5.050 3.788 2.322 4.629 . 0 0 "[ . 1 . 2]" 1
282 1 65 ARG H 1 65 ARG HG3 . . 4.470 3.649 2.976 4.462 . 0 0 "[ . 1 . 2]" 1
283 1 59 LEU HA 1 59 LEU MD1 . . 4.230 2.139 2.067 2.304 . 0 0 "[ . 1 . 2]" 1
284 1 43 LEU H 1 43 LEU MD1 . . 4.910 3.970 3.410 4.364 . 0 0 "[ . 1 . 2]" 1
285 1 15 LEU H 1 15 LEU MD2 . . 4.180 3.272 2.376 4.206 0.026 1 0 "[ . 1 . 2]" 1
286 1 15 LEU MD2 1 30 VAL HA . . 4.380 3.992 2.529 4.438 0.058 11 0 "[ . 1 . 2]" 1
287 1 84 LEU H 1 84 LEU MD1 . . 4.610 3.917 2.068 4.272 . 0 0 "[ . 1 . 2]" 1
288 1 43 LEU HA 1 43 LEU MD1 . . 4.020 2.848 2.084 3.978 . 0 0 "[ . 1 . 2]" 1
289 1 82 LYS H 1 82 LYS QG . . 4.000 3.664 2.145 3.977 . 0 0 "[ . 1 . 2]" 1
290 1 13 LYS QG 1 14 ILE HA . . 4.640 4.452 4.073 4.656 0.016 3 0 "[ . 1 . 2]" 1
291 1 13 LYS H 1 13 LYS QG . . 4.240 3.374 2.087 4.017 . 0 0 "[ . 1 . 2]" 1
292 1 76 LEU MD2 1 77 TYR QE . . 5.000 3.746 2.737 4.677 . 0 0 "[ . 1 . 2]" 1
293 1 63 LEU MD2 1 65 ARG H . . 5.500 4.643 4.073 5.143 . 0 0 "[ . 1 . 2]" 1
294 1 63 LEU MD2 1 68 PHE QE . . 4.460 3.259 2.277 4.474 0.014 3 0 "[ . 1 . 2]" 1
295 1 63 LEU H 1 63 LEU MD2 . . 4.560 3.775 3.605 4.034 . 0 0 "[ . 1 . 2]" 1
296 1 63 LEU HA 1 63 LEU MD2 . . 4.630 3.154 2.135 3.843 . 0 0 "[ . 1 . 2]" 1
297 1 63 LEU MD2 1 76 LEU HA . . 4.780 3.175 2.159 4.155 . 0 0 "[ . 1 . 2]" 1
298 1 58 LEU HA 1 58 LEU QD . . 2.810 2.280 2.022 2.760 . 0 0 "[ . 1 . 2]" 1
299 1 58 LEU QD 1 61 GLU QB . . 3.550 3.157 2.515 3.938 0.388 20 0 "[ . 1 . 2]" 1
300 1 14 ILE H 1 58 LEU QD . . 4.530 4.430 3.769 5.682 1.152 15 3 "[ * -. 1 + 2]" 1
301 1 14 ILE MG 1 58 LEU QD . . 4.370 3.839 3.512 4.298 . 0 0 "[ . 1 . 2]" 1
302 1 76 LEU MD1 1 77 TYR QD . . 5.210 4.707 4.326 5.178 . 0 0 "[ . 1 . 2]" 1
303 1 27 VAL H 1 27 VAL MG1 . . 3.780 3.789 3.779 3.805 0.025 3 0 "[ . 1 . 2]" 1
304 1 27 VAL HA 1 30 VAL MG2 . . 3.700 1.956 1.924 2.064 . 0 0 "[ . 1 . 2]" 1
305 1 11 LEU H 1 11 LEU MD2 . . 5.010 3.519 2.435 4.038 . 0 0 "[ . 1 . 2]" 1
306 1 77 TYR HA 1 80 LEU QD . . 4.600 2.540 2.207 2.912 . 0 0 "[ . 1 . 2]" 1
307 1 15 LEU H 1 15 LEU MD1 . . 4.180 3.656 2.777 4.130 . 0 0 "[ . 1 . 2]" 1
308 1 15 LEU HA 1 15 LEU MD1 . . 4.560 2.713 1.975 3.801 . 0 0 "[ . 1 . 2]" 1
309 1 70 VAL MG1 1 71 LYS H . . 5.270 4.017 2.703 4.276 . 0 0 "[ . 1 . 2]" 1
310 1 26 THR MG 1 29 GLU H . . 4.480 4.282 4.025 4.488 0.008 4 0 "[ . 1 . 2]" 1
311 1 4 GLN HE21 1 26 THR MG . . 4.430 3.284 2.479 3.836 . 0 0 "[ . 1 . 2]" 1
312 1 26 THR MG 1 27 VAL H . . 3.240 1.957 1.906 2.065 . 0 0 "[ . 1 . 2]" 1
313 1 26 THR MG 1 28 LYS H . . 4.230 2.948 2.507 3.281 . 0 0 "[ . 1 . 2]" 1
314 1 4 GLN HE22 1 26 THR MG . . 4.430 2.967 2.536 3.661 . 0 0 "[ . 1 . 2]" 1
315 1 26 THR HA 1 26 THR MG . . 3.260 2.315 2.235 2.423 . 0 0 "[ . 1 . 2]" 1
316 1 26 THR MG 1 27 VAL HB . . 4.100 3.184 2.936 3.372 . 0 0 "[ . 1 . 2]" 1
317 1 86 THR MG 1 87 LEU H . . 3.930 2.861 2.595 3.276 . 0 0 "[ . 1 . 2]" 1
318 1 86 THR HA 1 86 THR MG . . 3.340 3.266 3.227 3.278 . 0 0 "[ . 1 . 2]" 1
319 1 40 VAL HA 1 40 VAL MG1 . . 2.960 2.531 2.498 2.566 . 0 0 "[ . 1 . 2]" 1
320 1 40 VAL H 1 40 VAL MG1 . . 4.180 3.781 3.756 3.792 . 0 0 "[ . 1 . 2]" 1
321 1 18 ALA HA 1 40 VAL MG1 . . 4.620 4.093 3.563 4.631 0.011 9 0 "[ . 1 . 2]" 1
322 1 27 VAL H 1 27 VAL MG2 . . 3.780 2.010 1.898 2.163 . 0 0 "[ . 1 . 2]" 1
323 1 5 VAL MG2 1 6 ARG H . . 4.610 3.724 1.733 4.001 . 0 0 "[ . 1 . 2]" 1
324 1 5 VAL H 1 5 VAL MG2 . . 4.110 2.149 1.928 3.781 . 0 0 "[ . 1 . 2]" 1
325 1 81 ARG QB 1 86 THR MG . . 5.000 3.601 2.745 4.725 . 0 0 "[ . 1 . 2]" 1
326 1 86 THR H 1 86 THR MG . . 4.410 2.633 2.191 3.590 . 0 0 "[ . 1 . 2]" 1
327 1 30 VAL MG1 1 31 MET H . . 3.980 3.962 3.642 3.992 0.012 10 0 "[ . 1 . 2]" 1
328 1 43 LEU H 1 43 LEU MD2 . . 4.910 3.942 3.527 4.282 . 0 0 "[ . 1 . 2]" 1
329 1 43 LEU HA 1 43 LEU MD2 . . 4.020 2.932 2.133 3.819 . 0 0 "[ . 1 . 2]" 1
330 1 18 ALA MB 1 37 TYR H . . 3.560 2.909 2.764 3.047 . 0 0 "[ . 1 . 2]" 1
331 1 18 ALA MB 1 37 TYR HA . . 3.340 2.397 2.155 3.348 0.008 13 0 "[ . 1 . 2]" 1
332 1 18 ALA MB 1 37 TYR HB2 . . 4.190 2.139 2.041 2.241 . 0 0 "[ . 1 . 2]" 1
333 1 40 VAL HA 1 40 VAL MG2 . . 2.960 2.300 2.287 2.325 . 0 0 "[ . 1 . 2]" 1
334 1 27 VAL HA 1 30 VAL MG1 . . 3.700 3.669 2.558 3.741 0.041 2 0 "[ . 1 . 2]" 1
335 1 29 GLU H 1 30 VAL MG1 . . 4.680 4.480 4.085 4.549 . 0 0 "[ . 1 . 2]" 1
336 1 17 ALA H 1 18 ALA MB . . 4.880 4.507 4.371 4.611 . 0 0 "[ . 1 . 2]" 1
337 1 86 THR MG 1 88 ALA MB . . 4.400 4.047 3.127 4.426 0.026 18 0 "[ . 1 . 2]" 1
338 1 88 ALA MB 1 89 THR H . . 4.150 2.363 2.122 3.344 . 0 0 "[ . 1 . 2]" 1
339 1 88 ALA MB 1 89 THR HB . . 4.470 4.546 4.524 4.558 0.088 13 0 "[ . 1 . 2]" 1
340 1 38 ILE H 1 38 ILE MG . . 4.080 3.803 3.780 3.841 . 0 0 "[ . 1 . 2]" 1
341 1 38 ILE MG 1 39 MET HA . . 4.690 3.451 3.223 3.604 . 0 0 "[ . 1 . 2]" 1
342 1 5 VAL H 1 5 VAL MG1 . . 4.110 3.403 1.968 3.887 . 0 0 "[ . 1 . 2]" 1
343 1 16 HIS HA 1 20 ALA MB . . 3.740 3.374 2.909 3.730 . 0 0 "[ . 1 . 2]" 1
344 1 15 LEU HB2 1 20 ALA MB . . 3.840 3.411 3.242 3.600 . 0 0 "[ . 1 . 2]" 1
345 1 5 VAL MG1 1 6 ARG H . . 4.610 2.488 1.787 3.790 . 0 0 "[ . 1 . 2]" 1
346 1 20 ALA MB 1 21 GLN H . . 3.470 1.998 1.927 2.044 . 0 0 "[ . 1 . 2]" 1
347 1 16 HIS HD2 1 20 ALA MB . . 3.500 3.523 3.507 3.538 0.038 18 0 "[ . 1 . 2]" 1
348 1 18 ALA MB 1 20 ALA MB . . 4.870 3.223 2.586 3.534 . 0 0 "[ . 1 . 2]" 1
349 1 15 LEU HG 1 20 ALA MB . . 5.340 3.857 2.711 4.602 . 0 0 "[ . 1 . 2]" 1
350 1 17 ALA MB 1 18 ALA H . . 3.650 2.952 2.894 3.052 . 0 0 "[ . 1 . 2]" 1
351 1 17 ALA MB 1 18 ALA HA . . 4.200 4.222 4.213 4.239 0.039 3 0 "[ . 1 . 2]" 1
352 1 14 ILE MG 1 17 ALA MB . . 5.500 3.868 3.591 4.189 . 0 0 "[ . 1 . 2]" 1
353 1 17 ALA MB 1 41 LYS QZ . . 3.490 3.509 3.499 3.537 0.047 3 0 "[ . 1 . 2]" 1
354 1 2 ILE HA 1 2 ILE MG . . 2.990 2.203 2.178 2.226 . 0 0 "[ . 1 . 2]" 1
355 1 2 ILE MG 1 4 GLN HG2 . . 4.180 3.754 3.667 3.857 . 0 0 "[ . 1 . 2]" 1
356 1 2 ILE MG 1 4 GLN HG3 . . 4.180 4.206 4.194 4.215 0.035 14 0 "[ . 1 . 2]" 1
357 1 79 MET H 1 79 MET ME . . 4.440 4.269 3.896 4.468 0.028 12 0 "[ . 1 . 2]" 1
358 1 79 MET ME 1 80 LEU QD . . 2.600 2.215 1.996 2.724 0.124 17 0 "[ . 1 . 2]" 1
359 1 79 MET ME 1 80 LEU H . . 4.030 3.612 3.297 3.860 . 0 0 "[ . 1 . 2]" 1
360 1 77 TYR HA 1 79 MET ME . . 4.440 4.476 4.457 4.518 0.078 6 0 "[ . 1 . 2]" 1
361 1 76 LEU HA 1 79 MET ME . . 3.750 2.624 2.271 3.095 . 0 0 "[ . 1 . 2]" 1
362 1 39 MET H 1 39 MET ME . . 4.920 4.227 3.660 4.965 0.045 6 0 "[ . 1 . 2]" 1
363 1 39 MET ME 1 44 TYR QE . . 3.810 2.806 2.217 3.811 0.001 4 0 "[ . 1 . 2]" 1
364 1 39 MET HA 1 39 MET ME . . 4.510 2.702 2.068 3.551 . 0 0 "[ . 1 . 2]" 1
365 1 39 MET QB 1 39 MET ME . . 3.920 2.745 2.219 3.729 . 0 0 "[ . 1 . 2]" 1
366 1 38 ILE HA 1 38 ILE MD . . 4.700 3.941 3.899 3.970 . 0 0 "[ . 1 . 2]" 1
367 1 38 ILE H 1 38 ILE MD . . 5.000 3.194 3.134 3.282 . 0 0 "[ . 1 . 2]" 1
368 1 35 GLY QA 1 38 ILE MD . . 4.870 2.226 2.099 2.321 . 0 0 "[ . 1 . 2]" 1
369 1 38 ILE MD 1 39 MET QB . . 5.080 5.108 5.098 5.118 0.038 6 0 "[ . 1 . 2]" 1
370 1 14 ILE MG 1 15 LEU H . . 4.040 3.422 3.227 3.596 . 0 0 "[ . 1 . 2]" 1
371 1 14 ILE HA 1 14 ILE MG . . 3.510 2.433 2.285 2.522 . 0 0 "[ . 1 . 2]" 1
372 1 2 ILE MD 1 24 MET QB . . 4.870 4.467 3.604 4.881 0.011 7 0 "[ . 1 . 2]" 1
373 1 2 ILE HA 1 2 ILE MD . . 4.250 4.255 4.245 4.263 0.013 15 0 "[ . 1 . 2]" 1
374 1 14 ILE MD 1 59 LEU H . . 4.130 4.148 4.055 4.186 0.056 2 0 "[ . 1 . 2]" 1
375 1 13 LYS H 1 14 ILE MD . . 4.940 4.967 4.849 4.989 0.049 15 0 "[ . 1 . 2]" 1
376 1 14 ILE MD 1 58 LEU H . . 5.190 4.945 4.723 5.240 0.050 7 0 "[ . 1 . 2]" 1
377 1 14 ILE H 1 14 ILE MD . . 3.800 3.361 2.768 3.487 . 0 0 "[ . 1 . 2]" 1
378 1 14 ILE HA 1 14 ILE MD . . 4.040 3.852 2.372 3.970 . 0 0 "[ . 1 . 2]" 1
379 1 14 ILE MD 1 58 LEU QD . . 3.780 2.679 2.051 2.933 . 0 0 "[ . 1 . 2]" 1
380 1 14 ILE MD 1 14 ILE MG . . 3.560 2.136 2.089 2.182 . 0 0 "[ . 1 . 2]" 1
381 1 2 ILE MD 1 25 PHE H . . 5.060 4.109 3.527 4.844 . 0 0 "[ . 1 . 2]" 1
382 1 2 ILE H 1 2 ILE MD . . 4.650 3.789 3.533 4.028 . 0 0 "[ . 1 . 2]" 1
383 1 2 ILE HB 1 2 ILE MD . . 3.660 2.488 2.463 2.509 . 0 0 "[ . 1 . 2]" 1
384 1 2 ILE MD 1 26 THR H . . 4.400 4.146 3.700 4.408 0.008 15 0 "[ . 1 . 2]" 1
385 1 58 LEU H 1 59 LEU H . . 4.670 2.749 2.623 2.825 . 0 0 "[ . 1 . 2]" 1
386 1 58 LEU H 1 58 LEU QD . . 4.820 2.759 2.155 3.646 . 0 0 "[ . 1 . 2]" 1
387 1 86 THR HA 1 87 LEU H . . 2.770 2.546 2.368 2.980 0.210 18 0 "[ . 1 . 2]" 1
388 1 87 LEU H 1 87 LEU QB . . 2.930 2.503 2.301 3.058 0.128 18 0 "[ . 1 . 2]" 1
389 1 53 TYR H 1 53 TYR QD . . 4.340 3.221 2.921 3.846 . 0 0 "[ . 1 . 2]" 1
390 1 44 TYR HA 1 53 TYR H . . 4.150 2.781 2.538 3.158 . 0 0 "[ . 1 . 2]" 1
391 1 88 ALA H 1 89 THR HB . . 4.750 4.745 4.536 4.810 0.060 12 0 "[ . 1 . 2]" 1
392 1 87 LEU QB 1 88 ALA H . . 3.830 2.574 1.834 3.452 . 0 0 "[ . 1 . 2]" 1
393 1 88 ALA H 1 88 ALA MB . . 3.500 2.645 2.402 2.761 . 0 0 "[ . 1 . 2]" 1
394 1 17 ALA H 1 20 ALA MB . . 5.500 5.303 5.130 5.508 0.008 13 0 "[ . 1 . 2]" 1
395 1 16 HIS H 1 17 ALA H . . 3.150 2.795 2.749 2.848 . 0 0 "[ . 1 . 2]" 1
396 1 17 ALA H 1 18 ALA H . . 3.160 2.787 2.674 2.848 . 0 0 "[ . 1 . 2]" 1
397 1 14 ILE H 1 17 ALA H . . 4.890 4.696 4.588 4.826 . 0 0 "[ . 1 . 2]" 1
398 1 13 LYS HA 1 17 ALA H . . 4.390 4.006 3.701 4.177 . 0 0 "[ . 1 . 2]" 1
399 1 17 ALA H 1 17 ALA MB . . 2.800 2.227 2.191 2.247 . 0 0 "[ . 1 . 2]" 1
400 1 16 HIS HD2 1 20 ALA H . . 4.840 4.269 4.037 4.784 . 0 0 "[ . 1 . 2]" 1
401 1 20 ALA H 1 21 GLN H . . 4.330 4.379 4.347 4.406 0.076 11 0 "[ . 1 . 2]" 1
402 1 16 HIS HA 1 20 ALA H . . 3.450 2.744 2.551 2.900 . 0 0 "[ . 1 . 2]" 1
403 1 18 ALA MB 1 20 ALA H . . 4.300 3.528 3.007 3.766 . 0 0 "[ . 1 . 2]" 1
404 1 20 ALA H 1 20 ALA MB . . 3.110 2.150 2.121 2.180 . 0 0 "[ . 1 . 2]" 1
405 1 16 HIS H 1 20 ALA H . . 4.730 4.650 4.540 4.737 0.007 15 0 "[ . 1 . 2]" 1
406 1 84 LEU HA 1 85 VAL H . . 3.430 2.275 2.196 2.368 . 0 0 "[ . 1 . 2]" 1
407 1 85 VAL H 1 85 VAL HB . . 3.670 2.895 2.469 3.733 0.063 10 0 "[ . 1 . 2]" 1
408 1 84 LEU HG 1 85 VAL H . . 4.720 3.961 3.268 4.792 0.072 10 0 "[ . 1 . 2]" 1
409 1 51 MET HA 1 52 VAL H . . 3.390 2.187 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
410 1 51 MET QB 1 52 VAL H . . 4.900 3.762 3.699 3.847 . 0 0 "[ . 1 . 2]" 1
411 1 45 ASP H 1 53 TYR QD . . 5.090 3.817 3.105 4.363 . 0 0 "[ . 1 . 2]" 1
412 1 44 TYR QD 1 45 ASP H . . 4.260 3.554 3.471 3.620 . 0 0 "[ . 1 . 2]" 1
413 1 44 TYR HA 1 45 ASP H . . 3.400 2.437 2.394 2.495 . 0 0 "[ . 1 . 2]" 1
414 1 45 ASP H 1 52 VAL HA . . 4.410 3.877 3.723 4.199 . 0 0 "[ . 1 . 2]" 1
415 1 45 ASP H 1 45 ASP HB2 . . 3.500 2.460 2.249 2.662 . 0 0 "[ . 1 . 2]" 1
416 1 45 ASP H 1 45 ASP HB3 . . 3.500 2.742 2.420 3.080 . 0 0 "[ . 1 . 2]" 1
417 1 45 ASP H 1 51 MET H . . 5.420 3.812 3.740 3.940 . 0 0 "[ . 1 . 2]" 1
418 1 45 ASP HB2 1 48 GLU H . . 3.990 4.026 3.994 4.071 0.081 17 0 "[ . 1 . 2]" 1
419 1 48 GLU H 1 48 GLU QB . . 3.500 3.356 2.689 3.488 . 0 0 "[ . 1 . 2]" 1
420 1 26 THR HB 1 27 VAL H . . 3.140 3.181 3.143 3.229 0.089 10 0 "[ . 1 . 2]" 1
421 1 27 VAL H 1 27 VAL HB . . 3.100 2.568 2.470 2.688 . 0 0 "[ . 1 . 2]" 1
422 1 12 LEU H 1 14 ILE H . . 4.780 4.404 4.274 4.659 . 0 0 "[ . 1 . 2]" 1
423 1 58 LEU QD 1 61 GLU H . . 5.310 4.490 4.152 4.934 . 0 0 "[ . 1 . 2]" 1
424 1 5 VAL H 1 6 ARG H . . 5.310 4.525 4.387 4.593 . 0 0 "[ . 1 . 2]" 1
425 1 5 VAL HA 1 6 ARG H . . 3.100 2.438 2.345 2.544 . 0 0 "[ . 1 . 2]" 1
426 1 5 VAL HB 1 6 ARG H . . 3.060 2.725 2.225 3.229 0.169 5 0 "[ . 1 . 2]" 1
427 1 6 ARG H 1 6 ARG HB3 . . 3.900 3.103 2.987 3.230 . 0 0 "[ . 1 . 2]" 1
428 1 8 LYS HA 1 9 LEU H . . 3.250 2.430 2.400 2.477 . 0 0 "[ . 1 . 2]" 1
429 1 9 LEU H 1 9 LEU QB . . 3.070 2.353 2.135 2.582 . 0 0 "[ . 1 . 2]" 1
430 1 9 LEU H 1 10 PRO HD3 . . 4.260 3.473 2.899 3.927 . 0 0 "[ . 1 . 2]" 1
431 1 80 LEU H 1 81 ARG H . . 3.780 2.662 2.586 2.809 . 0 0 "[ . 1 . 2]" 1
432 1 12 LEU H 1 12 LEU HB2 . . 3.200 2.425 2.263 2.528 . 0 0 "[ . 1 . 2]" 1
433 1 12 LEU H 1 12 LEU HB3 . . 3.200 2.416 2.222 2.559 . 0 0 "[ . 1 . 2]" 1
434 1 59 LEU H 1 61 GLU H . . 4.800 4.037 3.962 4.094 . 0 0 "[ . 1 . 2]" 1
435 1 14 ILE MD 1 61 GLU H . . 5.500 5.180 4.950 5.518 0.018 6 0 "[ . 1 . 2]" 1
436 1 61 GLU H 1 63 LEU H . . 4.930 4.392 4.323 4.536 . 0 0 "[ . 1 . 2]" 1
437 1 61 GLU H 1 62 LEU H . . 3.170 2.725 2.703 2.789 . 0 0 "[ . 1 . 2]" 1
438 1 61 GLU H 1 61 GLU QB . . 2.800 2.024 1.989 2.106 . 0 0 "[ . 1 . 2]" 1
439 1 8 LYS H 1 8 LYS QG . . 4.100 3.582 2.024 4.101 0.001 17 0 "[ . 1 . 2]" 1
440 1 37 TYR H 1 40 VAL H . . 5.360 4.752 4.708 4.797 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL H 1 40 VAL HB . . 3.230 2.344 2.298 2.364 . 0 0 "[ . 1 . 2]" 1
442 1 40 VAL H 1 41 LYS QB . . 4.940 4.460 4.154 4.775 . 0 0 "[ . 1 . 2]" 1
443 1 40 VAL H 1 40 VAL MG2 . . 4.180 2.482 2.319 2.532 . 0 0 "[ . 1 . 2]" 1
444 1 38 ILE HA 1 40 VAL H . . 5.110 4.487 4.400 4.649 . 0 0 "[ . 1 . 2]" 1
445 1 37 TYR H 1 37 TYR QD . . 4.400 4.262 4.159 4.280 . 0 0 "[ . 1 . 2]" 1
446 1 37 TYR H 1 38 ILE H . . 3.530 2.912 2.868 2.961 . 0 0 "[ . 1 . 2]" 1
447 1 37 TYR H 1 37 TYR HB2 . . 3.450 2.503 2.412 2.571 . 0 0 "[ . 1 . 2]" 1
448 1 37 TYR H 1 37 TYR HB3 . . 3.450 2.618 2.529 2.770 . 0 0 "[ . 1 . 2]" 1
449 1 39 MET QB 1 40 VAL H . . 5.030 2.830 2.511 2.962 . 0 0 "[ . 1 . 2]" 1
450 1 1 GLN HA 1 2 ILE H . . 2.860 2.477 2.232 2.920 0.060 2 0 "[ . 1 . 2]" 1
451 1 2 ILE H 1 2 ILE HG13 . . 4.050 2.840 2.750 2.982 . 0 0 "[ . 1 . 2]" 1
452 1 2 ILE H 1 2 ILE HG12 . . 4.050 2.126 1.816 2.500 . 0 0 "[ . 1 . 2]" 1
453 1 2 ILE H 1 2 ILE MG . . 4.130 3.021 2.603 3.507 . 0 0 "[ . 1 . 2]" 1
454 1 10 PRO HA 1 14 ILE H . . 5.500 4.923 4.605 5.186 . 0 0 "[ . 1 . 2]" 1
455 1 13 LYS H 1 14 ILE H . . 3.460 2.796 2.643 3.025 . 0 0 "[ . 1 . 2]" 1
456 1 14 ILE H 1 15 LEU H . . 3.320 2.760 2.615 2.867 . 0 0 "[ . 1 . 2]" 1
457 1 11 LEU HA 1 14 ILE H . . 3.950 3.527 3.319 3.855 . 0 0 "[ . 1 . 2]" 1
458 1 14 ILE H 1 14 ILE HB . . 2.830 2.567 2.474 2.814 . 0 0 "[ . 1 . 2]" 1
459 1 14 ILE H 1 16 HIS H . . 4.640 3.928 3.785 4.076 . 0 0 "[ . 1 . 2]" 1
460 1 14 ILE H 1 14 ILE MG . . 4.100 3.798 3.777 3.824 . 0 0 "[ . 1 . 2]" 1
461 1 25 PHE QD 1 29 GLU H . . 4.820 4.052 3.994 4.155 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLU H 1 29 GLU HB2 . . 3.660 2.453 2.426 2.503 . 0 0 "[ . 1 . 2]" 1
463 1 28 LYS QB 1 29 GLU H . . 3.800 3.455 2.734 3.686 . 0 0 "[ . 1 . 2]" 1
464 1 29 GLU H 1 30 VAL MG2 . . 4.680 3.809 3.659 4.489 . 0 0 "[ . 1 . 2]" 1
465 1 26 THR HB 1 29 GLU H . . 3.650 3.034 2.714 3.345 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLU H 1 29 GLU HG2 . . 3.870 2.621 2.472 3.483 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLU H 1 29 GLU HG3 . . 3.870 3.703 2.442 3.868 . 0 0 "[ . 1 . 2]" 1
468 1 29 GLU H 1 29 GLU HB3 . . 3.660 3.639 3.629 3.655 . 0 0 "[ . 1 . 2]" 1
469 1 29 GLU HB2 1 30 VAL H . . 4.200 2.687 2.633 2.791 . 0 0 "[ . 1 . 2]" 1
470 1 57 ASP H 1 60 GLY H . . 4.700 3.748 3.651 4.036 . 0 0 "[ . 1 . 2]" 1
471 1 57 ASP H 1 58 LEU H . . 4.940 4.576 4.531 4.652 . 0 0 "[ . 1 . 2]" 1
472 1 57 ASP H 1 57 ASP HB2 . . 3.310 2.600 2.298 2.716 . 0 0 "[ . 1 . 2]" 1
473 1 57 ASP H 1 57 ASP HB3 . . 3.310 2.615 2.485 2.918 . 0 0 "[ . 1 . 2]" 1
474 1 57 ASP H 1 59 LEU H . . 4.880 4.947 4.925 4.990 0.110 8 0 "[ . 1 . 2]" 1
475 1 56 GLY H 1 57 ASP H . . 4.060 2.849 2.688 3.036 . 0 0 "[ . 1 . 2]" 1
476 1 50 HIS H 1 51 MET H . . 4.330 2.662 2.575 2.825 . 0 0 "[ . 1 . 2]" 1
477 1 26 THR H 1 30 VAL H . . 5.020 4.982 4.900 5.038 0.018 16 0 "[ . 1 . 2]" 1
478 1 29 GLU H 1 30 VAL H . . 3.780 2.579 2.541 2.641 . 0 0 "[ . 1 . 2]" 1
479 1 49 GLN H 1 50 HIS H . . 4.060 2.807 2.721 2.854 . 0 0 "[ . 1 . 2]" 1
480 1 48 GLU HA 1 49 GLN H . . 2.720 2.176 2.124 2.355 . 0 0 "[ . 1 . 2]" 1
481 1 49 GLN H 1 49 GLN QG . . 3.610 3.005 1.962 3.327 . 0 0 "[ . 1 . 2]" 1
482 1 49 GLN H 1 49 GLN QB . . 3.190 2.410 2.335 2.489 . 0 0 "[ . 1 . 2]" 1
483 1 57 ASP HB2 1 59 LEU H . . 4.520 4.362 4.296 4.489 . 0 0 "[ . 1 . 2]" 1
484 1 59 LEU H 1 59 LEU HB2 . . 3.730 2.585 2.532 2.642 . 0 0 "[ . 1 . 2]" 1
485 1 59 LEU H 1 59 LEU HB3 . . 3.730 2.411 2.312 2.500 . 0 0 "[ . 1 . 2]" 1
486 1 59 LEU H 1 60 GLY H . . 3.900 2.658 2.603 2.722 . 0 0 "[ . 1 . 2]" 1
487 1 41 LYS QZ 1 59 LEU H . . 5.310 4.270 4.033 4.575 . 0 0 "[ . 1 . 2]" 1
488 1 5 VAL HA 1 25 PHE H . . 5.210 5.274 5.226 5.320 0.110 14 0 "[ . 1 . 2]" 1
489 1 5 VAL H 1 25 PHE H . . 3.610 3.558 3.370 3.650 0.040 9 0 "[ . 1 . 2]" 1
490 1 24 MET HA 1 25 PHE H . . 2.790 2.515 2.376 2.649 . 0 0 "[ . 1 . 2]" 1
491 1 4 GLN QB 1 25 PHE H . . 4.400 3.524 3.065 4.002 . 0 0 "[ . 1 . 2]" 1
492 1 25 PHE H 1 25 PHE QD . . 3.840 3.308 3.129 3.374 . 0 0 "[ . 1 . 2]" 1
493 1 6 ARG HA 1 25 PHE H . . 4.630 4.117 3.923 4.418 . 0 0 "[ . 1 . 2]" 1
494 1 3 ASN HB2 1 4 GLN H . . 4.440 4.318 4.208 4.505 0.065 9 0 "[ . 1 . 2]" 1
495 1 3 ASN HA 1 4 GLN H . . 2.740 2.606 2.317 2.767 0.027 10 0 "[ . 1 . 2]" 1
496 1 32 HIS H 1 32 HIS HB2 . . 3.650 2.963 2.900 3.031 . 0 0 "[ . 1 . 2]" 1
497 1 74 SER H 1 77 TYR QE . . 4.940 4.946 4.937 4.974 0.034 7 0 "[ . 1 . 2]" 1
498 1 74 SER H 1 74 SER QB . . 3.130 2.595 2.372 2.711 . 0 0 "[ . 1 . 2]" 1
499 1 73 PRO QB 1 74 SER H . . 4.210 3.866 3.767 4.005 . 0 0 "[ . 1 . 2]" 1
500 1 36 GLN H 1 37 TYR H . . 4.020 2.793 2.749 2.823 . 0 0 "[ . 1 . 2]" 1
501 1 84 LEU H 1 85 VAL HA . . 5.500 5.235 4.949 5.524 0.024 15 0 "[ . 1 . 2]" 1
502 1 80 LEU HA 1 84 LEU H . . 4.590 3.927 3.515 4.363 . 0 0 "[ . 1 . 2]" 1
503 1 79 MET H 1 80 LEU H . . 3.630 2.634 2.524 2.807 . 0 0 "[ . 1 . 2]" 1
504 1 78 ASP H 1 79 MET H . . 3.770 2.695 2.649 2.796 . 0 0 "[ . 1 . 2]" 1
505 1 78 ASP HB2 1 79 MET H . . 3.810 3.874 3.858 3.887 0.077 6 0 "[ . 1 . 2]" 1
506 1 79 MET H 1 79 MET QB . . 3.500 2.013 1.962 2.072 . 0 0 "[ . 1 . 2]" 1
507 1 58 LEU QD 1 59 LEU H . . 5.010 4.239 4.066 4.435 . 0 0 "[ . 1 . 2]" 1
508 1 2 ILE MD 1 4 GLN H . . 5.010 4.317 3.995 4.627 . 0 0 "[ . 1 . 2]" 1
509 1 26 THR HA 1 28 LYS H . . 4.550 4.569 4.512 4.606 0.056 20 0 "[ . 1 . 2]" 1
510 1 27 VAL H 1 28 LYS H . . 3.330 2.927 2.777 3.030 . 0 0 "[ . 1 . 2]" 1
511 1 28 LYS H 1 29 GLU H . . 3.460 2.761 2.650 2.821 . 0 0 "[ . 1 . 2]" 1
512 1 26 THR HB 1 28 LYS H . . 3.330 2.973 2.709 3.202 . 0 0 "[ . 1 . 2]" 1
513 1 27 VAL HB 1 28 LYS H . . 3.280 2.554 2.441 2.789 . 0 0 "[ . 1 . 2]" 1
514 1 28 LYS H 1 28 LYS HG2 . . 4.200 2.474 2.038 4.012 . 0 0 "[ . 1 . 2]" 1
515 1 28 LYS H 1 28 LYS HG3 . . 4.200 3.051 2.133 3.358 . 0 0 "[ . 1 . 2]" 1
516 1 61 GLU QB 1 62 LEU H . . 3.190 2.681 2.477 2.771 . 0 0 "[ . 1 . 2]" 1
517 1 62 LEU H 1 62 LEU HB2 . . 3.520 2.490 2.248 2.586 . 0 0 "[ . 1 . 2]" 1
518 1 58 LEU QD 1 62 LEU H . . 5.160 4.864 3.929 5.468 0.308 16 0 "[ . 1 . 2]" 1
519 1 84 LEU H 1 84 LEU MD2 . . 4.610 2.582 1.864 4.353 . 0 0 "[ . 1 . 2]" 1
520 1 4 GLN HA 1 84 LEU H . . 5.460 5.528 5.504 5.555 0.095 3 0 "[ . 1 . 2]" 1
521 1 88 ALA H 1 89 THR H . . 4.620 4.189 1.829 4.552 . 0 0 "[ . 1 . 2]" 1
522 1 88 ALA HA 1 89 THR H . . 2.920 2.511 2.280 3.052 0.132 12 0 "[ . 1 . 2]" 1
523 1 16 HIS HA 1 18 ALA H . . 4.210 3.735 3.595 3.932 . 0 0 "[ . 1 . 2]" 1
524 1 18 ALA H 1 37 TYR QD . . 4.250 3.324 3.027 3.667 . 0 0 "[ . 1 . 2]" 1
525 1 15 LEU HA 1 18 ALA H . . 4.210 3.249 2.837 3.730 . 0 0 "[ . 1 . 2]" 1
526 1 16 HIS H 1 18 ALA H . . 4.410 4.064 3.873 4.162 . 0 0 "[ . 1 . 2]" 1
527 1 18 ALA H 1 18 ALA MB . . 2.960 2.335 2.261 2.390 . 0 0 "[ . 1 . 2]" 1
528 1 77 TYR H 1 78 ASP H . . 4.430 2.738 2.638 2.825 . 0 0 "[ . 1 . 2]" 1
529 1 76 LEU H 1 77 TYR H . . 5.310 2.614 2.502 2.770 . 0 0 "[ . 1 . 2]" 1
530 1 16 HIS H 1 17 ALA HA . . 5.380 5.404 5.389 5.424 0.044 19 0 "[ . 1 . 2]" 1
531 1 12 LEU HA 1 16 HIS H . . 4.670 4.091 3.975 4.370 . 0 0 "[ . 1 . 2]" 1
532 1 15 LEU H 1 16 HIS H . . 3.470 2.693 2.618 2.764 . 0 0 "[ . 1 . 2]" 1
533 1 16 HIS H 1 17 ALA MB . . 4.750 4.437 4.329 4.524 . 0 0 "[ . 1 . 2]" 1
534 1 16 HIS H 1 20 ALA MB . . 4.510 3.925 3.742 4.206 . 0 0 "[ . 1 . 2]" 1
535 1 21 GLN H 1 25 PHE QE . . 4.470 2.562 2.353 2.742 . 0 0 "[ . 1 . 2]" 1
536 1 21 GLN H 1 25 PHE HZ . . 5.150 3.067 2.755 3.651 . 0 0 "[ . 1 . 2]" 1
537 1 77 TYR HA 1 81 ARG H . . 4.680 3.680 3.560 3.820 . 0 0 "[ . 1 . 2]" 1
538 1 81 ARG H 1 82 LYS H . . 3.710 2.768 2.657 2.882 . 0 0 "[ . 1 . 2]" 1
539 1 81 ARG H 1 81 ARG QB . . 3.060 2.393 2.333 2.450 . 0 0 "[ . 1 . 2]" 1
540 1 33 TYR H 1 33 TYR HB2 . . 3.810 2.561 2.456 2.633 . 0 0 "[ . 1 . 2]" 1
541 1 32 HIS HB2 1 33 TYR H . . 3.920 3.891 3.848 3.930 0.010 14 0 "[ . 1 . 2]" 1
542 1 38 ILE HA 1 41 LYS H . . 4.790 3.741 3.613 3.971 . 0 0 "[ . 1 . 2]" 1
543 1 40 VAL H 1 41 LYS H . . 3.380 2.637 2.495 2.811 . 0 0 "[ . 1 . 2]" 1
544 1 41 LYS H 1 42 GLN H . . 3.250 2.657 2.610 2.686 . 0 0 "[ . 1 . 2]" 1
545 1 40 VAL HB 1 41 LYS H . . 3.570 2.571 2.519 2.599 . 0 0 "[ . 1 . 2]" 1
546 1 40 VAL MG1 1 41 LYS H . . 3.980 3.155 3.104 3.258 . 0 0 "[ . 1 . 2]" 1
547 1 40 VAL MG2 1 41 LYS H . . 3.980 3.992 3.939 4.011 0.031 5 0 "[ . 1 . 2]" 1
548 1 15 LEU H 1 17 ALA H . . 4.440 4.266 4.197 4.350 . 0 0 "[ . 1 . 2]" 1
549 1 14 ILE HB 1 15 LEU H . . 3.040 2.423 2.289 2.625 . 0 0 "[ . 1 . 2]" 1
550 1 15 LEU H 1 15 LEU HB2 . . 3.860 2.243 2.160 2.311 . 0 0 "[ . 1 . 2]" 1
551 1 38 ILE H 1 40 VAL H . . 5.500 4.316 4.250 4.448 . 0 0 "[ . 1 . 2]" 1
552 1 38 ILE H 1 38 ILE HB . . 3.340 2.511 2.448 2.626 . 0 0 "[ . 1 . 2]" 1
553 1 32 HIS H 1 33 TYR H . . 4.000 2.892 2.838 2.952 . 0 0 "[ . 1 . 2]" 1
554 1 32 HIS HE1 1 33 TYR H . . 5.220 5.268 5.263 5.273 0.053 20 0 "[ . 1 . 2]" 1
555 1 33 TYR H 1 33 TYR QD . . 3.820 2.872 2.601 2.949 . 0 0 "[ . 1 . 2]" 1
556 1 33 TYR H 1 33 TYR HB3 . . 3.810 3.572 3.544 3.604 . 0 0 "[ . 1 . 2]" 1
557 1 70 VAL MG2 1 71 LYS H . . 5.270 3.316 2.725 4.210 . 0 0 "[ . 1 . 2]" 1
558 1 41 LYS H 1 41 LYS QB . . 3.350 2.256 2.064 2.612 . 0 0 "[ . 1 . 2]" 1
559 1 39 MET HA 1 41 LYS H . . 5.070 4.883 4.761 5.010 . 0 0 "[ . 1 . 2]" 1
560 1 66 GLN H 1 66 GLN HE21 . . 5.500 3.969 3.459 4.777 . 0 0 "[ . 1 . 2]" 1
561 1 71 LYS H 1 71 LYS QB . . 3.890 2.464 2.262 2.812 . 0 0 "[ . 1 . 2]" 1
562 1 66 GLN H 1 66 GLN HE22 . . 5.500 5.298 4.228 5.573 0.073 16 0 "[ . 1 . 2]" 1
563 1 68 PHE H 1 68 PHE QD . . 5.300 3.278 3.097 3.403 . 0 0 "[ . 1 . 2]" 1
564 1 42 GLN H 1 43 LEU H . . 4.310 2.850 2.725 2.945 . 0 0 "[ . 1 . 2]" 1
565 1 39 MET H 1 40 VAL H . . 4.550 2.863 2.810 2.981 . 0 0 "[ . 1 . 2]" 1
566 1 36 GLN HA 1 39 MET H . . 4.590 3.058 2.992 3.152 . 0 0 "[ . 1 . 2]" 1
567 1 39 MET H 1 39 MET QG . . 4.470 4.000 3.834 4.050 . 0 0 "[ . 1 . 2]" 1
568 1 38 ILE MG 1 39 MET H . . 5.050 3.378 3.247 3.531 . 0 0 "[ . 1 . 2]" 1
569 1 37 TYR H 1 39 MET H . . 5.460 4.221 4.167 4.316 . 0 0 "[ . 1 . 2]" 1
570 1 46 GLN H 1 47 GLN H . . 3.600 2.818 2.544 3.004 . 0 0 "[ . 1 . 2]" 1
571 1 47 GLN H 1 48 GLU H . . 2.890 2.387 2.002 2.631 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLN H 1 47 GLN HE22 . . 5.500 4.565 3.309 5.287 . 0 0 "[ . 1 . 2]" 1
573 1 43 LEU H 1 44 TYR HA . . 5.480 5.139 5.018 5.408 . 0 0 "[ . 1 . 2]" 1
574 1 40 VAL H 1 42 GLN H . . 4.750 3.713 3.534 3.887 . 0 0 "[ . 1 . 2]" 1
575 1 41 LYS QB 1 42 GLN H . . 4.440 3.111 3.018 3.194 . 0 0 "[ . 1 . 2]" 1
576 1 42 GLN H 1 44 TYR QE . . 4.010 3.951 3.729 4.016 0.006 16 0 "[ . 1 . 2]" 1
577 1 39 MET HA 1 42 GLN H . . 4.130 3.578 3.377 3.792 . 0 0 "[ . 1 . 2]" 1
578 1 40 VAL HA 1 42 GLN H . . 4.080 4.024 3.851 4.081 0.001 4 0 "[ . 1 . 2]" 1
579 1 42 GLN H 1 42 GLN QG . . 3.350 3.368 3.354 3.395 0.045 6 0 "[ . 1 . 2]" 1
580 1 71 LYS QB 1 72 ASP H . . 4.670 3.147 2.754 3.812 . 0 0 "[ . 1 . 2]" 1
581 1 72 ASP H 1 73 PRO HA . . 5.160 4.548 4.156 4.755 . 0 0 "[ . 1 . 2]" 1
582 1 23 GLU H 1 24 MET H . . 2.930 2.182 1.937 2.978 0.048 1 0 "[ . 1 . 2]" 1
583 1 24 MET H 1 24 MET QB . . 3.060 2.259 2.144 2.550 . 0 0 "[ . 1 . 2]" 1
584 1 62 LEU H 1 63 LEU H . . 3.330 2.785 2.719 2.826 . 0 0 "[ . 1 . 2]" 1
585 1 61 GLU QB 1 63 LEU H . . 5.000 4.997 4.873 5.031 0.031 15 0 "[ . 1 . 2]" 1
586 1 63 LEU H 1 63 LEU HB2 . . 3.780 2.270 2.129 2.397 . 0 0 "[ . 1 . 2]" 1
587 1 62 LEU HB2 1 63 LEU H . . 3.900 3.885 3.638 3.921 0.021 13 0 "[ . 1 . 2]" 1
588 1 62 LEU HB3 1 63 LEU H . . 3.900 2.552 2.435 2.620 . 0 0 "[ . 1 . 2]" 1
589 1 13 LYS H 1 15 LEU H . . 4.650 4.539 4.384 4.679 0.029 1 0 "[ . 1 . 2]" 1
590 1 11 LEU HA 1 13 LYS H . . 4.940 4.180 4.027 4.504 . 0 0 "[ . 1 . 2]" 1
591 1 12 LEU HB3 1 13 LYS H . . 4.010 2.770 2.574 2.890 . 0 0 "[ . 1 . 2]" 1
592 1 13 LYS H 1 16 HIS H . . 5.140 4.661 4.562 4.735 . 0 0 "[ . 1 . 2]" 1
593 1 71 LYS H 1 72 ASP H . . 3.290 2.236 2.121 2.500 . 0 0 "[ . 1 . 2]" 1
594 1 69 SER H 1 72 ASP H . . 5.120 3.244 3.058 3.691 . 0 0 "[ . 1 . 2]" 1
595 1 23 GLU H 1 25 PHE HZ . . 5.500 4.651 4.348 5.445 . 0 0 "[ . 1 . 2]" 1
596 1 28 LYS HA 1 31 MET H . . 4.080 3.822 3.758 3.984 . 0 0 "[ . 1 . 2]" 1
597 1 25 PHE QE 1 31 MET H . . 5.050 5.118 5.088 5.145 0.095 3 0 "[ . 1 . 2]" 1
598 1 31 MET H 1 31 MET HB2 . . 3.950 3.663 3.627 3.692 . 0 0 "[ . 1 . 2]" 1
599 1 30 VAL HB 1 31 MET H . . 3.380 3.458 3.441 3.542 0.162 16 0 "[ . 1 . 2]" 1
600 1 30 VAL MG2 1 31 MET H . . 3.980 2.056 2.026 2.105 . 0 0 "[ . 1 . 2]" 1
601 1 12 LEU H 1 13 LYS H . . 3.660 2.748 2.652 2.860 . 0 0 "[ . 1 . 2]" 1
602 1 13 LYS H 1 13 LYS QB . . 2.910 2.237 2.014 2.712 . 0 0 "[ . 1 . 2]" 1
603 1 13 LYS H 1 13 LYS QD . . 3.510 3.488 3.320 3.548 0.038 3 0 "[ . 1 . 2]" 1
604 1 22 GLY HA2 1 23 GLU H . . 3.540 3.158 2.673 3.322 . 0 0 "[ . 1 . 2]" 1
605 1 22 GLY HA3 1 23 GLU H . . 3.540 2.168 2.101 2.521 . 0 0 "[ . 1 . 2]" 1
606 1 23 GLU H 1 23 GLU HG3 . . 4.480 3.318 2.430 3.605 . 0 0 "[ . 1 . 2]" 1
607 1 7 PRO QG 1 23 GLU H . . 3.940 2.051 1.672 2.278 . 0 0 "[ . 1 . 2]" 1
608 1 27 VAL HA 1 31 MET H . . 4.520 3.901 3.729 3.960 . 0 0 "[ . 1 . 2]" 1
609 1 80 LEU H 1 83 ASN H . . 5.170 5.261 5.196 5.337 0.167 9 0 "[ . 1 . 2]" 1
610 1 83 ASN H 1 84 LEU H . . 3.270 2.716 2.383 3.233 . 0 0 "[ . 1 . 2]" 1
611 1 82 LYS H 1 83 ASN H . . 3.320 2.649 2.498 2.735 . 0 0 "[ . 1 . 2]" 1
612 1 81 ARG HA 1 83 ASN H . . 4.800 3.901 3.776 4.033 . 0 0 "[ . 1 . 2]" 1
613 1 83 ASN H 1 83 ASN HB3 . . 3.910 3.022 2.440 3.681 . 0 0 "[ . 1 . 2]" 1
614 1 82 LYS QB 1 83 ASN H . . 4.110 3.020 2.786 3.711 . 0 0 "[ . 1 . 2]" 1
615 1 81 ARG QB 1 82 LYS H . . 3.490 3.543 3.527 3.593 0.103 9 0 "[ . 1 . 2]" 1
616 1 82 LYS H 1 82 LYS QB . . 3.530 2.205 2.098 2.539 . 0 0 "[ . 1 . 2]" 1
617 1 4 GLN HG2 1 5 VAL H . . 4.700 4.439 3.698 4.710 0.010 3 0 "[ . 1 . 2]" 1
618 1 4 GLN HG3 1 5 VAL H . . 4.700 4.189 3.275 4.552 . 0 0 "[ . 1 . 2]" 1
619 1 4 GLN HA 1 5 VAL H . . 3.050 2.680 2.515 2.933 . 0 0 "[ . 1 . 2]" 1
620 1 4 GLN H 1 5 VAL H . . 4.760 4.375 4.227 4.417 . 0 0 "[ . 1 . 2]" 1
621 1 4 GLN QB 1 5 VAL H . . 3.410 2.051 1.859 2.205 . 0 0 "[ . 1 . 2]" 1
622 1 68 PHE QD 1 69 SER H . . 4.240 3.066 2.902 3.462 . 0 0 "[ . 1 . 2]" 1
623 1 68 PHE HA 1 69 SER H . . 3.330 2.613 2.492 2.711 . 0 0 "[ . 1 . 2]" 1
624 1 69 SER H 1 69 SER HB3 . . 3.940 3.155 2.700 3.871 . 0 0 "[ . 1 . 2]" 1
625 1 64 GLY H 1 65 ARG H . . 3.410 2.526 2.427 2.706 . 0 0 "[ . 1 . 2]" 1
626 1 63 LEU HB3 1 65 ARG H . . 4.110 2.992 2.491 3.370 . 0 0 "[ . 1 . 2]" 1
627 1 63 LEU MD1 1 65 ARG H . . 5.500 4.726 3.984 5.220 . 0 0 "[ . 1 . 2]" 1
628 1 43 LEU HB3 1 44 TYR H . . 5.020 4.209 3.962 4.451 . 0 0 "[ . 1 . 2]" 1
629 1 38 ILE MG 1 44 TYR H . . 4.840 3.960 3.541 4.700 . 0 0 "[ . 1 . 2]" 1
630 1 42 GLN HA 1 44 TYR H . . 4.710 3.481 3.126 4.070 . 0 0 "[ . 1 . 2]" 1
631 1 63 LEU HB2 1 65 ARG H . . 4.110 2.943 2.470 3.292 . 0 0 "[ . 1 . 2]" 1
632 1 65 ARG H 1 65 ARG HG2 . . 4.470 3.755 2.795 4.496 0.026 9 0 "[ . 1 . 2]" 1
633 1 43 LEU H 1 44 TYR H . . 3.950 2.976 2.677 3.621 . 0 0 "[ . 1 . 2]" 1
634 1 43 LEU HB2 1 44 TYR H . . 5.020 4.334 3.761 4.535 . 0 0 "[ . 1 . 2]" 1
635 1 11 LEU H 1 12 LEU H . . 3.050 2.394 2.276 2.493 . 0 0 "[ . 1 . 2]" 1
636 1 11 LEU H 1 11 LEU HB2 . . 3.630 2.427 2.234 2.604 . 0 0 "[ . 1 . 2]" 1
637 1 11 LEU H 1 11 LEU HG . . 4.620 3.190 2.329 4.192 . 0 0 "[ . 1 . 2]" 1
638 1 11 LEU H 1 11 LEU HB3 . . 3.630 3.613 3.526 3.656 0.026 1 0 "[ . 1 . 2]" 1
639 1 11 LEU H 1 13 LYS H . . 4.400 3.877 3.702 4.120 . 0 0 "[ . 1 . 2]" 1
640 1 11 LEU H 1 11 LEU MD1 . . 5.010 3.295 2.431 3.894 . 0 0 "[ . 1 . 2]" 1
641 1 47 GLN H 1 47 GLN HE21 . . 5.500 4.167 2.523 4.908 . 0 0 "[ . 1 . 2]" 1
642 1 33 TYR HA 1 36 GLN HE21 . . 4.750 2.963 2.824 3.100 . 0 0 "[ . 1 . 2]" 1
643 1 54 CYS H 1 55 GLY H . . 5.500 2.480 2.007 3.375 . 0 0 "[ . 1 . 2]" 1
644 1 3 ASN HA 1 4 GLN HE22 . . 5.180 5.200 5.021 5.266 0.086 8 0 "[ . 1 . 2]" 1
645 1 25 PHE QD 1 26 THR H . . 4.500 3.691 3.477 3.793 . 0 0 "[ . 1 . 2]" 1
646 1 26 THR H 1 29 GLU H . . 4.290 4.278 4.173 4.314 0.024 12 0 "[ . 1 . 2]" 1
647 1 25 PHE HB2 1 26 THR H . . 4.120 2.252 2.120 2.342 . 0 0 "[ . 1 . 2]" 1
648 1 26 THR H 1 26 THR MG . . 3.730 3.615 3.521 3.709 . 0 0 "[ . 1 . 2]" 1
649 1 66 GLN H 1 67 SER H . . 5.430 2.661 2.479 3.183 . 0 0 "[ . 1 . 2]" 1
650 1 65 ARG QD 1 67 SER H . . 5.370 4.872 3.548 5.380 0.010 11 0 "[ . 1 . 2]" 1
651 1 65 ARG HB2 1 67 SER H . . 4.210 3.224 2.575 4.190 . 0 0 "[ . 1 . 2]" 1
652 1 65 ARG HB3 1 67 SER H . . 4.210 3.358 2.382 4.309 0.099 4 0 "[ . 1 . 2]" 1
653 1 3 ASN HA 1 4 GLN HE21 . . 5.180 4.495 4.041 5.046 . 0 0 "[ . 1 . 2]" 1
654 1 67 SER H 1 68 PHE H . . 5.090 4.345 4.269 4.445 . 0 0 "[ . 1 . 2]" 1
655 1 22 GLY H 1 23 GLU H . . 5.170 4.491 4.362 4.618 . 0 0 "[ . 1 . 2]" 1
656 1 16 HIS HD2 1 22 GLY H . . 4.950 2.494 2.190 2.992 . 0 0 "[ . 1 . 2]" 1
657 1 21 GLN QB 1 22 GLY H . . 3.940 3.960 3.942 3.984 0.044 1 0 "[ . 1 . 2]" 1
658 1 7 PRO QG 1 22 GLY H . . 4.440 4.494 4.463 4.523 0.083 7 0 "[ . 1 . 2]" 1
659 1 63 LEU HB2 1 64 GLY H . . 4.420 3.207 2.943 3.415 . 0 0 "[ . 1 . 2]" 1
660 1 63 LEU HB3 1 64 GLY H . . 4.420 3.804 3.548 4.059 . 0 0 "[ . 1 . 2]" 1
661 1 58 LEU H 1 60 GLY H . . 5.360 4.347 4.232 4.477 . 0 0 "[ . 1 . 2]" 1
662 1 54 CYS HA 1 60 GLY H . . 5.500 4.741 4.358 5.520 0.020 17 0 "[ . 1 . 2]" 1
663 1 16 HIS HA 1 19 GLY H . . 4.390 3.349 3.260 3.411 . 0 0 "[ . 1 . 2]" 1
664 1 19 GLY H 1 20 ALA MB . . 4.530 4.345 4.246 4.421 . 0 0 "[ . 1 . 2]" 1
665 1 17 ALA H 1 19 GLY H . . 4.800 4.318 4.137 4.384 . 0 0 "[ . 1 . 2]" 1
666 1 17 ALA HA 1 19 GLY H . . 4.240 3.741 3.544 3.868 . 0 0 "[ . 1 . 2]" 1
667 1 18 ALA MB 1 19 GLY H . . 4.100 3.620 3.437 3.675 . 0 0 "[ . 1 . 2]" 1
668 1 48 GLU QB 1 50 HIS HE1 . . 5.010 3.693 2.991 5.018 0.008 18 0 "[ . 1 . 2]" 1
669 1 50 HIS HE1 1 51 MET HA . . 4.460 4.484 4.464 4.510 0.050 3 0 "[ . 1 . 2]" 1
670 1 32 HIS HE1 1 36 GLN QG . . 5.030 4.355 4.195 4.561 . 0 0 "[ . 1 . 2]" 1
671 1 43 LEU H 1 44 TYR QD . . 4.440 3.561 3.331 3.869 . 0 0 "[ . 1 . 2]" 1
672 1 42 GLN HB2 1 44 TYR QD . . 5.180 4.663 4.388 4.817 . 0 0 "[ . 1 . 2]" 1
673 1 42 GLN HA 1 44 TYR QD . . 5.120 3.181 2.878 3.338 . 0 0 "[ . 1 . 2]" 1
674 1 44 TYR QD 1 52 VAL HA . . 4.760 4.780 4.651 4.819 0.059 18 0 "[ . 1 . 2]" 1
675 1 53 TYR QD 1 54 CYS H . . 4.400 3.532 3.282 4.116 . 0 0 "[ . 1 . 2]" 1
676 1 42 GLN HB3 1 44 TYR QD . . 5.180 5.151 4.907 5.198 0.018 15 0 "[ . 1 . 2]" 1
677 1 68 PHE HA 1 68 PHE QD . . 4.130 3.792 3.782 3.804 . 0 0 "[ . 1 . 2]" 1
678 1 30 VAL HB 1 33 TYR QD . . 4.830 4.881 4.858 4.911 0.081 1 0 "[ . 1 . 2]" 1
679 1 18 ALA HA 1 37 TYR QD . . 4.580 4.022 2.334 4.415 . 0 0 "[ . 1 . 2]" 1
680 1 37 TYR QD 1 41 LYS H . . 4.660 4.475 4.185 4.663 0.003 7 0 "[ . 1 . 2]" 1
681 1 76 LEU MD2 1 77 TYR QD . . 5.210 4.004 3.145 4.924 . 0 0 "[ . 1 . 2]" 1
682 1 25 PHE QE 1 30 VAL H . . 4.690 3.308 3.109 3.471 . 0 0 "[ . 1 . 2]" 1
683 1 77 TYR QD 1 78 ASP H . . 5.100 4.305 4.162 4.477 . 0 0 "[ . 1 . 2]" 1
684 1 21 GLN QB 1 25 PHE QE . . 4.660 3.012 2.206 4.372 . 0 0 "[ . 1 . 2]" 1
685 1 25 PHE H 1 25 PHE QE . . 4.540 4.546 4.443 4.590 0.050 9 0 "[ . 1 . 2]" 1
686 1 25 PHE QE 1 30 VAL HB . . 5.210 3.767 3.422 3.886 . 0 0 "[ . 1 . 2]" 1
687 1 24 MET QB 1 25 PHE QE . . 4.580 4.266 3.734 4.624 0.044 11 0 "[ . 1 . 2]" 1
688 1 52 VAL HB 1 68 PHE QE . . 3.690 3.509 3.236 3.701 0.011 6 0 "[ . 1 . 2]" 1
689 1 63 LEU MD1 1 68 PHE HZ . . 4.880 4.166 2.905 4.898 0.018 16 0 "[ . 1 . 2]" 1
690 1 63 LEU MD2 1 68 PHE HZ . . 4.880 4.050 3.142 4.904 0.024 17 0 "[ . 1 . 2]" 1
691 1 45 ASP H 1 53 TYR QE . . 4.880 4.174 3.731 4.809 . 0 0 "[ . 1 . 2]" 1
692 1 53 TYR HA 1 53 TYR QE . . 4.200 4.272 4.260 4.291 0.091 17 0 "[ . 1 . 2]" 1
693 1 38 ILE MG 1 44 TYR QE . . 3.770 3.712 3.442 3.780 0.010 7 0 "[ . 1 . 2]" 1
694 1 42 GLN HB2 1 44 TYR QE . . 5.010 3.442 3.258 3.548 . 0 0 "[ . 1 . 2]" 1
695 1 39 MET H 1 44 TYR QE . . 5.350 4.944 4.771 5.103 . 0 0 "[ . 1 . 2]" 1
696 1 18 ALA MB 1 37 TYR QE . . 4.790 4.081 3.627 4.254 . 0 0 "[ . 1 . 2]" 1
697 1 44 TYR QE 1 49 GLN QG . . 4.960 2.786 2.542 2.981 . 0 0 "[ . 1 . 2]" 1
698 1 44 TYR QE 1 46 GLN HA . . 4.130 4.082 3.830 4.156 0.026 12 0 "[ . 1 . 2]" 1
699 1 42 GLN HB3 1 44 TYR QE . . 5.010 3.524 3.255 3.673 . 0 0 "[ . 1 . 2]" 1
700 1 30 VAL HA 1 33 TYR QE . . 4.780 4.561 4.507 4.774 . 0 0 "[ . 1 . 2]" 1
701 1 32 HIS HE1 1 33 TYR QE . . 4.840 4.770 4.638 4.839 . 0 0 "[ . 1 . 2]" 1
702 1 77 TYR HA 1 77 TYR QE . . 4.960 4.621 4.506 4.723 . 0 0 "[ . 1 . 2]" 1
703 1 67 SER H 1 68 PHE QD . . 5.200 3.819 3.228 4.181 . 0 0 "[ . 1 . 2]" 1
704 1 68 PHE QD 1 75 PRO QD . . 4.900 4.202 3.596 4.634 . 0 0 "[ . 1 . 2]" 1
705 1 68 PHE HA 1 75 PRO QD . . 4.680 4.444 3.680 4.700 0.020 3 0 "[ . 1 . 2]" 1
706 1 74 SER QB 1 75 PRO QD . . 3.590 2.316 2.086 3.437 . 0 0 "[ . 1 . 2]" 1
707 1 21 GLN H 1 25 PHE QD . . 4.820 4.817 4.653 4.886 0.066 11 0 "[ . 1 . 2]" 1
708 1 18 ALA MB 1 37 TYR QD . . 3.600 2.154 2.086 2.333 . 0 0 "[ . 1 . 2]" 1
709 1 53 TYR QD 1 67 SER HA . . 4.260 3.793 3.580 4.183 . 0 0 "[ . 1 . 2]" 1
710 1 37 TYR QD 1 38 ILE HA . . 4.310 3.026 2.784 4.324 0.014 3 0 "[ . 1 . 2]" 1
711 1 67 SER HA 1 68 PHE QD . . 4.390 3.473 3.269 3.648 . 0 0 "[ . 1 . 2]" 1
712 1 52 VAL HB 1 68 PHE QD . . 3.960 3.407 3.216 3.594 . 0 0 "[ . 1 . 2]" 1
713 1 77 TYR H 1 77 TYR QD . . 4.820 2.400 2.087 2.613 . 0 0 "[ . 1 . 2]" 1
714 1 73 PRO HA 1 77 TYR QD . . 5.110 5.004 4.765 5.128 0.018 17 0 "[ . 1 . 2]" 1
715 1 74 SER H 1 77 TYR QD . . 4.610 4.041 3.874 4.187 . 0 0 "[ . 1 . 2]" 1
716 1 15 LEU HB2 1 25 PHE QE . . 5.500 5.561 5.516 5.616 0.116 20 0 "[ . 1 . 2]" 1
717 1 20 ALA MB 1 25 PHE QE . . 4.070 3.392 3.197 3.532 . 0 0 "[ . 1 . 2]" 1
718 1 15 LEU HB3 1 25 PHE QE . . 5.500 4.791 4.620 4.873 . 0 0 "[ . 1 . 2]" 1
719 1 60 GLY QA 1 68 PHE QE . . 4.900 4.593 4.117 4.906 0.006 13 0 "[ . 1 . 2]" 1
720 1 23 GLU HA 1 25 PHE HZ . . 4.770 3.087 2.839 3.684 . 0 0 "[ . 1 . 2]" 1
721 1 20 ALA MB 1 33 TYR QE . . 4.150 3.299 3.092 3.452 . 0 0 "[ . 1 . 2]" 1
722 1 33 TYR HA 1 33 TYR QE . . 4.990 4.528 4.488 4.619 . 0 0 "[ . 1 . 2]" 1
723 1 14 ILE HA 1 37 TYR QE . . 4.120 2.940 2.577 4.029 . 0 0 "[ . 1 . 2]" 1
724 1 50 HIS HD2 1 71 LYS QE . . 5.350 3.929 2.839 5.201 . 0 0 "[ . 1 . 2]" 1
725 1 76 LEU MD1 1 77 TYR QE . . 5.000 4.641 4.017 5.025 0.025 11 0 "[ . 1 . 2]" 1
726 1 17 ALA MB 1 37 TYR QE . . 3.440 2.346 2.071 2.626 . 0 0 "[ . 1 . 2]" 1
727 1 14 ILE MG 1 37 TYR QE . . 4.880 2.505 2.301 2.965 . 0 0 "[ . 1 . 2]" 1
728 1 17 ALA H 1 37 TYR QE . . 5.040 4.426 4.282 4.623 . 0 0 "[ . 1 . 2]" 1
729 1 37 TYR QE 1 60 GLY H . . 5.430 5.336 5.038 5.465 0.035 3 0 "[ . 1 . 2]" 1
730 1 16 HIS H 1 16 HIS HD2 . . 4.310 3.410 2.590 4.219 . 0 0 "[ . 1 . 2]" 1
731 1 16 HIS HA 1 16 HIS HD2 . . 3.080 2.573 2.345 3.077 . 0 0 "[ . 1 . 2]" 1
732 1 52 VAL MG2 1 68 PHE HZ . . 4.840 3.893 3.235 4.245 . 0 0 "[ . 1 . 2]" 1
733 1 52 VAL MG1 1 68 PHE HZ . . 4.840 2.690 2.553 2.913 . 0 0 "[ . 1 . 2]" 1
734 1 38 ILE MG 1 68 PHE HZ . . 4.490 4.244 3.993 4.503 0.013 6 0 "[ . 1 . 2]" 1
735 1 20 ALA MB 1 25 PHE HZ . . 3.880 2.532 2.278 2.745 . 0 0 "[ . 1 . 2]" 1
736 1 38 ILE MD 1 68 PHE HZ . . 4.680 2.287 2.185 2.387 . 0 0 "[ . 1 . 2]" 1
737 1 73 PRO HA 1 77 TYR QE . . 5.190 4.941 4.691 5.084 . 0 0 "[ . 1 . 2]" 1
738 1 39 MET HA 1 44 TYR QE . . 3.240 2.356 2.179 2.585 . 0 0 "[ . 1 . 2]" 1
739 1 20 ALA HA 1 33 TYR QE . . 4.250 2.643 2.502 2.777 . 0 0 "[ . 1 . 2]" 1
740 1 45 ASP HB2 1 53 TYR QE . . 4.580 2.571 2.346 3.076 . 0 0 "[ . 1 . 2]" 1
741 1 45 ASP HB3 1 48 GLU H . . 3.990 2.338 2.260 2.496 . 0 0 "[ . 1 . 2]" 1
742 1 45 ASP HB3 1 53 TYR QE . . 4.580 4.216 3.967 4.586 0.006 17 0 "[ . 1 . 2]" 1
743 1 37 TYR QE 1 59 LEU HB2 . . 4.510 2.515 2.157 3.036 . 0 0 "[ . 1 . 2]" 1
744 1 37 TYR QE 1 59 LEU HB3 . . 4.510 2.919 2.600 3.563 . 0 0 "[ . 1 . 2]" 1
745 1 51 MET ME 1 53 TYR QE . . 4.300 2.912 2.400 3.860 . 0 0 "[ . 1 . 2]" 1
746 1 30 VAL H 1 33 TYR QD . . 5.500 4.251 4.166 4.327 . 0 0 "[ . 1 . 2]" 1
747 1 48 GLU QB 1 49 GLN H . . 4.240 3.691 3.560 3.865 . 0 0 "[ . 1 . 2]" 1
748 1 44 TYR QD 1 49 GLN H . . 5.300 4.726 4.557 4.982 . 0 0 "[ . 1 . 2]" 1
749 1 74 SER HA 1 77 TYR QD . . 3.730 2.361 2.243 2.543 . 0 0 "[ . 1 . 2]" 1
750 1 44 TYR QD 1 49 GLN HA . . 3.970 2.729 2.509 3.101 . 0 0 "[ . 1 . 2]" 1
751 1 45 ASP HA 1 53 TYR QD . . 4.860 3.820 3.230 4.405 . 0 0 "[ . 1 . 2]" 1
752 1 44 TYR QD 1 49 GLN HG2 . . 4.650 4.111 2.578 4.653 0.003 1 0 "[ . 1 . 2]" 1
753 1 44 TYR QD 1 49 GLN HG3 . . 4.650 2.937 2.408 4.090 . 0 0 "[ . 1 . 2]" 1
754 1 37 TYR QD 1 59 LEU MD1 . . 4.630 3.843 2.464 4.272 . 0 0 "[ . 1 . 2]" 1
755 1 37 TYR QD 1 59 LEU MD2 . . 4.630 2.311 2.176 2.646 . 0 0 "[ . 1 . 2]" 1
756 1 38 ILE MG 1 44 TYR QD . . 3.480 2.261 2.120 2.400 . 0 0 "[ . 1 . 2]" 1
757 1 17 ALA MB 1 37 TYR QD . . 3.780 3.071 2.698 3.736 . 0 0 "[ . 1 . 2]" 1
758 1 37 TYR QD 1 38 ILE MD . . 5.500 4.545 4.352 4.930 . 0 0 "[ . 1 . 2]" 1
759 1 14 ILE MG 1 37 TYR QD . . 3.730 3.397 3.133 3.584 . 0 0 "[ . 1 . 2]" 1
760 1 51 MET ME 1 53 TYR QD . . 5.030 3.897 3.398 5.050 0.020 17 0 "[ . 1 . 2]" 1
761 1 2 ILE H 1 2 ILE QG . . 3.430 2.055 1.796 2.320 . 0 0 "[ . 1 . 2]" 1
762 1 2 ILE H 1 4 GLN QG . . 4.630 4.623 4.397 4.690 0.060 10 0 "[ . 1 . 2]" 1
763 1 2 ILE HA 1 2 ILE QG . . 3.400 3.382 3.376 3.394 . 0 0 "[ . 1 . 2]" 1
764 1 2 ILE HA 1 3 ASN QD . . 3.980 3.874 3.037 4.019 0.039 19 0 "[ . 1 . 2]" 1
765 1 2 ILE MG 1 3 ASN QB . . 4.970 4.972 4.876 4.991 0.021 5 0 "[ . 1 . 2]" 1
766 1 2 ILE MG 1 3 ASN QD . . 5.340 5.086 4.475 5.252 . 0 0 "[ . 1 . 2]" 1
767 1 2 ILE MG 1 4 GLN QE . . 5.340 4.261 3.803 5.265 . 0 0 "[ . 1 . 2]" 1
768 1 2 ILE QG 1 25 PHE HA . . 4.540 4.378 4.153 4.551 0.011 4 0 "[ . 1 . 2]" 1
769 1 2 ILE MD 1 4 GLN QE . . 5.340 4.093 3.622 4.680 . 0 0 "[ . 1 . 2]" 1
770 1 2 ILE MD 1 25 PHE QB . . 3.670 3.700 3.621 3.732 0.062 18 0 "[ . 1 . 2]" 1
771 1 3 ASN H 1 3 ASN QB . . 3.480 2.457 2.176 2.549 . 0 0 "[ . 1 . 2]" 1
772 1 3 ASN H 1 3 ASN QD . . 5.220 3.335 2.405 3.585 . 0 0 "[ . 1 . 2]" 1
773 1 3 ASN HA 1 3 ASN QD . . 2.710 2.439 2.346 2.741 0.031 9 0 "[ . 1 . 2]" 1
774 1 3 ASN HA 1 4 GLN QE . . 4.450 4.212 3.912 4.485 0.035 10 0 "[ . 1 . 2]" 1
775 1 3 ASN QB 1 4 GLN H . . 3.890 3.894 3.857 3.920 0.030 4 0 "[ . 1 . 2]" 1
776 1 3 ASN QB 1 4 GLN QE . . 4.220 2.649 2.475 2.988 . 0 0 "[ . 1 . 2]" 1
777 1 3 ASN QB 1 26 THR MG . . 5.020 5.008 4.836 5.049 0.029 3 0 "[ . 1 . 2]" 1
778 1 3 ASN QD 1 4 GLN H . . 5.050 4.721 4.532 4.847 . 0 0 "[ . 1 . 2]" 1
779 1 4 GLN H 1 4 GLN QG . . 3.750 2.551 2.453 2.667 . 0 0 "[ . 1 . 2]" 1
780 1 4 GLN H 1 84 LEU QD . . 5.120 4.276 3.475 4.927 . 0 0 "[ . 1 . 2]" 1
781 1 4 GLN HA 1 4 GLN QG . . 3.560 3.366 3.244 3.486 . 0 0 "[ . 1 . 2]" 1
782 1 4 GLN HA 1 5 VAL QG . . 3.920 3.359 3.126 3.565 . 0 0 "[ . 1 . 2]" 1
783 1 4 GLN HA 1 84 LEU QD . . 3.840 2.290 2.004 3.152 . 0 0 "[ . 1 . 2]" 1
784 1 4 GLN QG 1 5 VAL H . . 4.070 3.830 3.067 4.095 0.025 2 0 "[ . 1 . 2]" 1
785 1 4 GLN QG 1 26 THR H . . 4.260 3.213 2.992 3.407 . 0 0 "[ . 1 . 2]" 1
786 1 4 GLN QG 1 26 THR HA . . 4.880 3.370 2.815 3.646 . 0 0 "[ . 1 . 2]" 1
787 1 4 GLN QG 1 26 THR MG . . 4.780 3.795 3.275 4.207 . 0 0 "[ . 1 . 2]" 1
788 1 4 GLN QE 1 26 THR H . . 5.060 4.886 4.513 5.091 0.031 12 0 "[ . 1 . 2]" 1
789 1 4 GLN QE 1 84 LEU QD . . 4.850 3.366 2.079 4.101 . 0 0 "[ . 1 . 2]" 1
790 1 5 VAL H 1 5 VAL QG . . 3.050 2.040 1.914 2.237 . 0 0 "[ . 1 . 2]" 1
791 1 5 VAL H 1 84 LEU QD . . 4.090 3.465 2.597 3.951 . 0 0 "[ . 1 . 2]" 1
792 1 5 VAL HA 1 6 ARG QB . . 4.210 4.006 3.657 4.204 . 0 0 "[ . 1 . 2]" 1
793 1 5 VAL QG 1 6 ARG H . . 3.540 2.311 1.730 3.001 . 0 0 "[ . 1 . 2]" 1
794 1 5 VAL QG 1 6 ARG HA . . 5.210 3.844 3.090 4.267 . 0 0 "[ . 1 . 2]" 1
795 1 5 VAL QG 1 7 PRO QD . . 4.710 4.313 3.500 4.900 0.190 4 0 "[ . 1 . 2]" 1
796 1 5 VAL QG 1 23 GLU QB . . 3.840 2.496 2.008 2.663 . 0 0 "[ . 1 . 2]" 1
797 1 5 VAL QG 1 25 PHE H . . 4.280 3.560 2.948 4.235 . 0 0 "[ . 1 . 2]" 1
798 1 5 VAL QG 1 25 PHE QD . . 4.390 4.459 3.767 5.247 0.857 7 8 "[* * .*+- 1 *. **]" 1
799 1 5 VAL QG 1 26 THR HA . . 4.670 4.090 3.841 4.559 . 0 0 "[ . 1 . 2]" 1
800 1 5 VAL QG 1 80 LEU HA . . 4.990 3.138 2.841 3.707 . 0 0 "[ . 1 . 2]" 1
801 1 5 VAL QG 1 80 LEU QB . . 4.120 3.401 2.336 3.900 . 0 0 "[ . 1 . 2]" 1
802 1 5 VAL QG 1 83 ASN H . . 4.520 4.079 3.887 4.809 0.289 5 0 "[ . 1 . 2]" 1
803 1 5 VAL QG 1 83 ASN HA . . 4.320 4.113 3.828 4.759 0.439 5 0 "[ . 1 . 2]" 1
804 1 5 VAL QG 1 83 ASN QB . . 3.110 2.065 1.898 2.725 . 0 0 "[ . 1 . 2]" 1
805 1 6 ARG H 1 6 ARG QB . . 3.330 2.899 2.768 3.025 . 0 0 "[ . 1 . 2]" 1
806 1 6 ARG H 1 23 GLU QB . . 4.530 3.649 3.354 4.010 . 0 0 "[ . 1 . 2]" 1
807 1 6 ARG HA 1 7 PRO QD . . 3.190 2.015 1.968 2.080 . 0 0 "[ . 1 . 2]" 1
808 1 6 ARG HA 1 24 MET QG . . 4.450 3.840 3.551 4.520 0.070 11 0 "[ . 1 . 2]" 1
809 1 6 ARG QB 1 6 ARG QD . . 3.370 2.484 2.356 2.756 . 0 0 "[ . 1 . 2]" 1
810 1 6 ARG QB 1 24 MET QB . . 3.450 3.269 2.916 3.480 0.030 8 0 "[ . 1 . 2]" 1
811 1 6 ARG QG 1 7 PRO QD . . 3.960 2.448 1.982 3.228 . 0 0 "[ . 1 . 2]" 1
812 1 6 ARG QD 1 12 LEU QD . . 4.770 4.427 4.269 4.566 . 0 0 "[ . 1 . 2]" 1
813 1 7 PRO HA 1 11 LEU QB . . 4.720 3.505 3.307 3.747 . 0 0 "[ . 1 . 2]" 1
814 1 7 PRO HA 1 11 LEU QD . . 3.310 3.527 3.182 4.509 1.199 18 1 "[ . 1 . + 2]" 1
815 1 7 PRO QB 1 11 LEU H . . 4.380 3.872 3.697 4.065 . 0 0 "[ . 1 . 2]" 1
816 1 7 PRO QB 1 11 LEU QB . . 4.140 2.236 2.065 2.481 . 0 0 "[ . 1 . 2]" 1
817 1 7 PRO QB 1 11 LEU QD . . 3.450 3.346 3.042 3.919 0.469 18 0 "[ . 1 . 2]" 1
818 1 7 PRO QB 1 12 LEU H . . 4.240 2.650 2.460 2.809 . 0 0 "[ . 1 . 2]" 1
819 1 7 PRO QB 1 12 LEU HA . . 4.200 3.237 2.925 3.486 . 0 0 "[ . 1 . 2]" 1
820 1 7 PRO QB 1 22 GLY QA . . 4.220 3.678 3.410 3.802 . 0 0 "[ . 1 . 2]" 1
821 1 7 PRO QG 1 11 LEU QD . . 4.820 4.857 4.529 5.304 0.484 18 0 "[ . 1 . 2]" 1
822 1 7 PRO QG 1 12 LEU QD . . 4.130 2.540 2.331 2.936 . 0 0 "[ . 1 . 2]" 1
823 1 7 PRO QG 1 15 LEU QD . . 3.810 4.280 3.482 4.980 1.170 13 8 "[ * . * **- + . ** 2]" 1
824 1 7 PRO QG 1 22 GLY QA . . 3.920 2.067 1.986 2.204 . 0 0 "[ . 1 . 2]" 1
825 1 7 PRO QG 1 23 GLU QG . . 3.700 2.849 2.223 3.483 . 0 0 "[ . 1 . 2]" 1
826 1 7 PRO QD 1 12 LEU QD . . 4.190 3.197 2.477 3.666 . 0 0 "[ . 1 . 2]" 1
827 1 7 PRO QD 1 23 GLU QG . . 4.550 3.709 3.461 3.978 . 0 0 "[ . 1 . 2]" 1
828 1 8 LYS H 1 12 LEU QD . . 5.030 5.321 5.007 5.621 0.591 15 1 "[ . 1 + 2]" 1
829 1 8 LYS QB 1 9 LEU H . . 3.960 3.197 2.393 3.486 . 0 0 "[ . 1 . 2]" 1
830 1 8 LYS QB 1 10 PRO QD . . 4.750 2.787 2.478 3.168 . 0 0 "[ . 1 . 2]" 1
831 1 8 LYS QE 1 9 LEU QD . . 3.900 4.604 4.069 5.025 1.125 3 15 "[ *+ -****** * .*****]" 1
832 1 8 LYS QE 1 10 PRO QG . . 4.480 3.526 2.464 4.082 . 0 0 "[ . 1 . 2]" 1
833 1 9 LEU H 1 9 LEU QD . . 3.690 3.005 2.029 3.699 0.009 10 0 "[ . 1 . 2]" 1
834 1 9 LEU H 1 10 PRO QD . . 3.700 2.761 2.693 2.857 . 0 0 "[ . 1 . 2]" 1
835 1 9 LEU HA 1 12 LEU QB . . 3.370 2.432 2.173 2.819 . 0 0 "[ . 1 . 2]" 1
836 1 9 LEU QB 1 10 PRO QD . . 2.940 2.157 2.067 2.239 . 0 0 "[ . 1 . 2]" 1
837 1 9 LEU HG 1 10 PRO QD . . 5.070 3.782 2.802 4.732 . 0 0 "[ . 1 . 2]" 1
838 1 9 LEU QD 1 10 PRO QD . . 4.070 3.475 3.087 3.695 . 0 0 "[ . 1 . 2]" 1
839 1 10 PRO HA 1 11 LEU QD . . 5.100 4.558 4.286 4.818 . 0 0 "[ . 1 . 2]" 1
840 1 10 PRO QB 1 11 LEU H . . 3.700 3.256 2.839 3.511 . 0 0 "[ . 1 . 2]" 1
841 1 10 PRO QB 1 11 LEU QD . . 3.680 2.950 2.342 3.429 . 0 0 "[ . 1 . 2]" 1
842 1 10 PRO QB 1 13 LYS H . . 5.190 5.046 4.837 5.221 0.031 19 0 "[ . 1 . 2]" 1
843 1 10 PRO QB 1 58 LEU QD . . 4.230 3.925 3.331 4.376 0.146 17 0 "[ . 1 . 2]" 1
844 1 10 PRO QG 1 11 LEU H . . 4.230 3.208 2.584 4.153 . 0 0 "[ . 1 . 2]" 1
845 1 10 PRO QG 1 11 LEU QD . . 4.380 3.320 2.222 4.538 0.158 20 0 "[ . 1 . 2]" 1
846 1 10 PRO QD 1 11 LEU H . . 3.780 2.825 2.560 3.009 . 0 0 "[ . 1 . 2]" 1
847 1 10 PRO QD 1 11 LEU QD . . 4.920 3.816 3.061 4.519 . 0 0 "[ . 1 . 2]" 1
848 1 11 LEU H 1 11 LEU QB . . 3.130 2.390 2.211 2.551 . 0 0 "[ . 1 . 2]" 1
849 1 11 LEU H 1 11 LEU QD . . 3.760 2.814 2.405 3.200 . 0 0 "[ . 1 . 2]" 1
850 1 11 LEU HA 1 11 LEU QD . . 3.160 2.353 2.071 2.734 . 0 0 "[ . 1 . 2]" 1
851 1 11 LEU HA 1 14 ILE QG . . 4.640 2.946 2.379 3.732 . 0 0 "[ . 1 . 2]" 1
852 1 11 LEU QB 1 12 LEU H . . 3.410 2.746 2.618 2.896 . 0 0 "[ . 1 . 2]" 1
853 1 11 LEU QD 1 12 LEU H . . 4.530 4.094 3.915 4.231 . 0 0 "[ . 1 . 2]" 1
854 1 12 LEU H 1 12 LEU QD . . 4.010 3.704 3.610 3.749 . 0 0 "[ . 1 . 2]" 1
855 1 12 LEU HA 1 12 LEU QD . . 3.060 3.173 3.089 3.252 0.192 20 0 "[ . 1 . 2]" 1
856 1 12 LEU HA 1 15 LEU QB . . 3.730 3.130 2.741 3.587 . 0 0 "[ . 1 . 2]" 1
857 1 12 LEU HA 1 15 LEU QD . . 3.910 4.081 3.661 4.543 0.633 1 1 "[+ . 1 . 2]" 1
858 1 12 LEU QB 1 13 LYS H . . 3.510 2.720 2.535 2.830 . 0 0 "[ . 1 . 2]" 1
859 1 12 LEU QD 1 13 LYS H . . 3.950 3.262 3.016 3.531 . 0 0 "[ . 1 . 2]" 1
860 1 12 LEU QD 1 13 LYS HA . . 4.430 2.943 2.526 3.382 . 0 0 "[ . 1 . 2]" 1
861 1 12 LEU QD 1 13 LYS QD . . 4.170 3.722 3.148 4.329 0.159 6 0 "[ . 1 . 2]" 1
862 1 12 LEU QD 1 15 LEU H . . 5.440 4.967 4.821 5.073 . 0 0 "[ . 1 . 2]" 1
863 1 12 LEU QD 1 15 LEU QB . . 4.310 4.505 4.306 4.715 0.405 8 0 "[ . 1 . 2]" 1
864 1 12 LEU QD 1 16 HIS H . . 4.890 3.774 3.481 3.958 . 0 0 "[ . 1 . 2]" 1
865 1 12 LEU QD 1 16 HIS HD2 . . 4.200 3.196 2.813 3.812 . 0 0 "[ . 1 . 2]" 1
866 1 12 LEU QD 1 21 GLN HA . . 4.210 3.855 3.590 4.014 . 0 0 "[ . 1 . 2]" 1
867 1 14 ILE H 1 14 ILE QG . . 3.350 1.984 1.807 2.152 . 0 0 "[ . 1 . 2]" 1
868 1 14 ILE HA 1 14 ILE QG . . 3.340 2.534 2.386 3.231 . 0 0 "[ . 1 . 2]" 1
869 1 14 ILE QG 1 14 ILE MG . . 3.180 2.301 2.249 2.379 . 0 0 "[ . 1 . 2]" 1
870 1 14 ILE MG 1 15 LEU QD . . 4.290 2.974 2.394 3.736 . 0 0 "[ . 1 . 2]" 1
871 1 14 ILE MG 1 59 LEU QD . . 3.950 2.893 2.362 3.495 . 0 0 "[ . 1 . 2]" 1
872 1 14 ILE MG 1 62 LEU QD . . 4.170 2.746 2.210 4.070 . 0 0 "[ . 1 . 2]" 1
873 1 14 ILE QG 1 15 LEU H . . 4.880 3.926 3.627 4.099 . 0 0 "[ . 1 . 2]" 1
874 1 14 ILE MD 1 58 LEU QB . . 3.470 2.279 2.078 3.417 . 0 0 "[ . 1 . 2]" 1
875 1 14 ILE MD 1 61 GLU QG . . 4.980 4.234 3.778 4.803 . 0 0 "[ . 1 . 2]" 1
876 1 14 ILE MD 1 62 LEU QB . . 3.920 2.461 2.205 3.185 . 0 0 "[ . 1 . 2]" 1
877 1 14 ILE MD 1 62 LEU QD . . 2.900 2.369 2.062 3.278 0.378 10 0 "[ . 1 . 2]" 1
878 1 15 LEU H 1 15 LEU QB . . 3.210 2.217 2.139 2.282 . 0 0 "[ . 1 . 2]" 1
879 1 15 LEU H 1 15 LEU QD . . 3.570 2.821 2.361 3.254 . 0 0 "[ . 1 . 2]" 1
880 1 15 LEU HA 1 15 LEU QD . . 3.180 2.093 1.951 2.435 . 0 0 "[ . 1 . 2]" 1
881 1 15 LEU HA 1 33 TYR QB . . 4.580 3.901 3.566 4.194 . 0 0 "[ . 1 . 2]" 1
882 1 15 LEU QB 1 16 HIS H . . 3.390 3.072 2.781 3.244 . 0 0 "[ . 1 . 2]" 1
883 1 15 LEU QB 1 16 HIS HD2 . . 4.580 4.170 3.655 4.616 0.036 7 0 "[ . 1 . 2]" 1
884 1 15 LEU QB 1 20 ALA H . . 5.180 4.098 3.946 4.191 . 0 0 "[ . 1 . 2]" 1
885 1 15 LEU QD 1 16 HIS H . . 4.960 4.299 4.087 4.513 . 0 0 "[ . 1 . 2]" 1
886 1 15 LEU QD 1 18 ALA H . . 5.440 4.358 3.898 4.805 . 0 0 "[ . 1 . 2]" 1
887 1 15 LEU QD 1 18 ALA MB . . 5.170 2.952 2.297 3.710 . 0 0 "[ . 1 . 2]" 1
888 1 15 LEU QD 1 30 VAL HA . . 3.640 3.127 2.514 3.848 0.208 19 0 "[ . 1 . 2]" 1
889 1 15 LEU QD 1 30 VAL QG . . 3.690 3.171 2.745 3.681 . 0 0 "[ . 1 . 2]" 1
890 1 15 LEU QD 1 33 TYR H . . 4.790 4.223 3.944 4.449 . 0 0 "[ . 1 . 2]" 1
891 1 15 LEU QD 1 33 TYR HA . . 4.800 4.033 3.785 4.528 . 0 0 "[ . 1 . 2]" 1
892 1 15 LEU QD 1 33 TYR QB . . 3.180 1.989 1.892 2.296 . 0 0 "[ . 1 . 2]" 1
893 1 15 LEU QD 1 33 TYR QD . . 4.220 3.177 2.670 3.693 . 0 0 "[ . 1 . 2]" 1
894 1 15 LEU QD 1 34 LEU H . . 3.920 3.270 2.864 3.643 . 0 0 "[ . 1 . 2]" 1
895 1 18 ALA H 1 37 TYR QB . . 4.740 4.558 4.261 4.711 . 0 0 "[ . 1 . 2]" 1
896 1 18 ALA HA 1 36 GLN QE . . 5.160 4.252 4.146 4.360 . 0 0 "[ . 1 . 2]" 1
897 1 18 ALA HA 1 40 VAL QG . . 3.770 3.411 2.927 3.962 0.192 9 0 "[ . 1 . 2]" 1
898 1 18 ALA MB 1 33 TYR QB . . 3.590 3.068 2.347 3.450 . 0 0 "[ . 1 . 2]" 1
899 1 18 ALA MB 1 36 GLN QE . . 4.270 3.038 2.915 3.352 . 0 0 "[ . 1 . 2]" 1
900 1 18 ALA MB 1 37 TYR QB . . 3.590 2.121 2.027 2.219 . 0 0 "[ . 1 . 2]" 1
901 1 18 ALA MB 1 40 VAL QG . . 4.780 3.775 3.350 4.686 . 0 0 "[ . 1 . 2]" 1
902 1 19 GLY QA 1 36 GLN QE . . 4.620 3.571 3.219 3.760 . 0 0 "[ . 1 . 2]" 1
903 1 20 ALA H 1 36 GLN QE . . 4.730 4.175 4.111 4.244 . 0 0 "[ . 1 . 2]" 1
904 1 20 ALA HA 1 36 GLN QE . . 4.090 4.147 4.126 4.171 0.081 1 0 "[ . 1 . 2]" 1
905 1 21 GLN HA 1 22 GLY QA . . 4.550 3.951 3.883 4.018 . 0 0 "[ . 1 . 2]" 1
906 1 21 GLN QE 1 25 PHE QE . . 4.670 4.221 2.859 4.674 0.004 2 0 "[ . 1 . 2]" 1
907 1 22 GLY QA 1 23 GLU H . . 3.060 2.125 2.072 2.307 . 0 0 "[ . 1 . 2]" 1
908 1 22 GLY QA 1 23 GLU QG . . 4.280 3.395 3.226 3.646 . 0 0 "[ . 1 . 2]" 1
909 1 22 GLY QA 1 24 MET H . . 4.020 3.415 3.087 3.624 . 0 0 "[ . 1 . 2]" 1
910 1 23 GLU H 1 23 GLU QB . . 3.640 2.767 2.410 2.937 . 0 0 "[ . 1 . 2]" 1
911 1 23 GLU H 1 23 GLU QG . . 3.650 3.195 2.394 3.442 . 0 0 "[ . 1 . 2]" 1
912 1 23 GLU HA 1 23 GLU QG . . 3.310 2.428 2.357 2.482 . 0 0 "[ . 1 . 2]" 1
913 1 23 GLU QB 1 24 MET H . . 4.180 3.775 3.712 3.821 . 0 0 "[ . 1 . 2]" 1
914 1 23 GLU QB 1 25 PHE QE . . 4.440 4.252 4.071 4.440 . 0 0 "[ . 1 . 2]" 1
915 1 24 MET HA 1 24 MET QG . . 3.570 2.557 2.318 3.337 . 0 0 "[ . 1 . 2]" 1
916 1 25 PHE H 1 25 PHE QB . . 3.550 3.420 3.370 3.463 . 0 0 "[ . 1 . 2]" 1
917 1 25 PHE HA 1 29 GLU QB . . 4.460 4.483 4.470 4.496 0.036 18 0 "[ . 1 . 2]" 1
918 1 25 PHE QB 1 26 THR H . . 3.410 2.223 2.099 2.308 . 0 0 "[ . 1 . 2]" 1
919 1 25 PHE QB 1 29 GLU H . . 5.050 4.453 4.336 4.563 . 0 0 "[ . 1 . 2]" 1
920 1 25 PHE QB 1 29 GLU QB . . 3.500 2.337 2.250 2.409 . 0 0 "[ . 1 . 2]" 1
921 1 25 PHE QB 1 30 VAL H . . 4.600 4.563 4.437 4.617 0.017 13 0 "[ . 1 . 2]" 1
922 1 25 PHE QB 1 33 TYR QE . . 4.380 4.156 3.929 4.367 . 0 0 "[ . 1 . 2]" 1
923 1 25 PHE QD 1 29 GLU QB . . 4.410 2.208 2.139 2.292 . 0 0 "[ . 1 . 2]" 1
924 1 25 PHE QE 1 29 GLU QB . . 4.980 3.414 3.293 3.583 . 0 0 "[ . 1 . 2]" 1
925 1 25 PHE QE 1 30 VAL QG . . 3.630 2.090 2.055 2.199 . 0 0 "[ . 1 . 2]" 1
926 1 26 THR H 1 29 GLU QB . . 3.450 3.237 3.059 3.323 . 0 0 "[ . 1 . 2]" 1
927 1 26 THR H 1 29 GLU QG . . 4.740 3.265 2.982 3.724 . 0 0 "[ . 1 . 2]" 1
928 1 26 THR HA 1 27 VAL QG . . 4.220 3.646 3.518 3.712 . 0 0 "[ . 1 . 2]" 1
929 1 26 THR HB 1 27 VAL QG . . 4.540 4.523 4.380 4.730 0.190 16 0 "[ . 1 . 2]" 1
930 1 26 THR HB 1 28 LYS QE . . 3.020 3.038 3.025 3.064 0.044 10 0 "[ . 1 . 2]" 1
931 1 26 THR HB 1 29 GLU QB . . 4.700 3.852 3.607 4.091 . 0 0 "[ . 1 . 2]" 1
932 1 26 THR MG 1 28 LYS QE . . 3.930 2.832 2.405 3.215 . 0 0 "[ . 1 . 2]" 1
933 1 27 VAL H 1 27 VAL QG . . 2.910 2.003 1.893 2.151 . 0 0 "[ . 1 . 2]" 1
934 1 27 VAL H 1 30 VAL QG . . 4.190 3.836 3.738 3.954 . 0 0 "[ . 1 . 2]" 1
935 1 27 VAL HA 1 27 VAL QG . . 2.960 2.149 2.079 2.182 . 0 0 "[ . 1 . 2]" 1
936 1 27 VAL HA 1 30 VAL QG . . 3.120 1.946 1.918 1.982 . 0 0 "[ . 1 . 2]" 1
937 1 27 VAL QG 1 28 LYS H . . 4.420 3.177 3.070 3.262 . 0 0 "[ . 1 . 2]" 1
938 1 27 VAL QG 1 31 MET H . . 3.670 3.969 3.662 4.029 0.359 14 0 "[ . 1 . 2]" 1
939 1 27 VAL QG 1 77 TYR QD . . 4.620 3.230 2.940 4.018 . 0 0 "[ . 1 . 2]" 1
940 1 27 VAL QG 1 77 TYR QE . . 3.940 2.493 2.189 3.291 . 0 0 "[ . 1 . 2]" 1
941 1 27 VAL QG 1 86 THR MG . . 3.890 2.297 2.000 2.761 . 0 0 "[ . 1 . 2]" 1
942 1 28 LYS H 1 28 LYS QE . . 5.340 3.866 3.030 4.201 . 0 0 "[ . 1 . 2]" 1
943 1 28 LYS H 1 30 VAL QG . . 4.550 4.159 4.064 4.335 . 0 0 "[ . 1 . 2]" 1
944 1 28 LYS HA 1 30 VAL QG . . 4.140 4.420 4.369 4.544 0.404 16 0 "[ . 1 . 2]" 1
945 1 28 LYS HA 1 31 MET QB . . 4.320 3.979 3.859 4.077 . 0 0 "[ . 1 . 2]" 1
946 1 28 LYS QE 1 28 LYS QG . . 3.140 2.178 2.087 2.846 . 0 0 "[ . 1 . 2]" 1
947 1 28 LYS QG 1 29 GLU H . . 4.540 2.982 2.518 4.570 0.030 18 0 "[ . 1 . 2]" 1
948 1 29 GLU H 1 29 GLU QB . . 3.140 2.416 2.392 2.462 . 0 0 "[ . 1 . 2]" 1
949 1 29 GLU H 1 29 GLU QG . . 3.320 2.484 2.397 2.527 . 0 0 "[ . 1 . 2]" 1
950 1 29 GLU H 1 30 VAL QG . . 3.830 3.599 3.505 3.790 . 0 0 "[ . 1 . 2]" 1
951 1 29 GLU HA 1 32 HIS QB . . 3.110 2.301 2.247 2.372 . 0 0 "[ . 1 . 2]" 1
952 1 29 GLU QB 1 30 VAL HA . . 4.630 4.133 4.062 4.235 . 0 0 "[ . 1 . 2]" 1
953 1 29 GLU QB 1 32 HIS HD2 . . 4.840 3.677 3.420 3.893 . 0 0 "[ . 1 . 2]" 1
954 1 29 GLU QG 1 33 TYR QE . . 4.900 4.216 4.078 4.412 . 0 0 "[ . 1 . 2]" 1
955 1 30 VAL H 1 30 VAL QG . . 3.160 2.008 1.939 2.109 . 0 0 "[ . 1 . 2]" 1
956 1 30 VAL HA 1 30 VAL QG . . 2.960 2.302 2.267 2.427 . 0 0 "[ . 1 . 2]" 1
957 1 30 VAL HA 1 33 TYR QB . . 4.560 3.036 2.920 3.159 . 0 0 "[ . 1 . 2]" 1
958 1 30 VAL QG 1 31 MET H . . 3.100 2.049 2.020 2.093 . 0 0 "[ . 1 . 2]" 1
959 1 30 VAL QG 1 31 MET HA . . 4.170 3.501 3.086 3.563 . 0 0 "[ . 1 . 2]" 1
960 1 30 VAL QG 1 31 MET QB . . 3.830 2.859 2.757 2.949 . 0 0 "[ . 1 . 2]" 1
961 1 30 VAL QG 1 33 TYR H . . 5.440 5.010 4.950 5.060 . 0 0 "[ . 1 . 2]" 1
962 1 30 VAL QG 1 33 TYR QD . . 4.500 3.810 3.748 4.089 . 0 0 "[ . 1 . 2]" 1
963 1 30 VAL QG 1 33 TYR QE . . 4.620 4.770 4.680 5.055 0.435 16 0 "[ . 1 . 2]" 1
964 1 30 VAL QG 1 80 LEU QD . . 3.320 1.915 1.753 2.163 . 0 0 "[ . 1 . 2]" 1
965 1 31 MET H 1 31 MET QB . . 3.230 2.425 2.355 2.480 . 0 0 "[ . 1 . 2]" 1
966 1 31 MET H 1 31 MET QG . . 3.390 2.517 2.443 2.691 . 0 0 "[ . 1 . 2]" 1
967 1 31 MET QB 1 31 MET ME . . 4.450 2.145 2.114 2.199 . 0 0 "[ . 1 . 2]" 1
968 1 31 MET QB 1 80 LEU QD . . 4.680 3.819 3.536 4.090 . 0 0 "[ . 1 . 2]" 1
969 1 31 MET QG 1 32 HIS H . . 4.240 2.612 2.524 2.787 . 0 0 "[ . 1 . 2]" 1
970 1 31 MET QG 1 32 HIS HA . . 4.600 3.629 3.553 3.707 . 0 0 "[ . 1 . 2]" 1
971 1 31 MET QG 1 33 TYR H . . 5.220 5.118 5.057 5.223 0.003 7 0 "[ . 1 . 2]" 1
972 1 32 HIS H 1 32 HIS QB . . 3.170 2.068 2.041 2.092 . 0 0 "[ . 1 . 2]" 1
973 1 32 HIS QB 1 33 TYR H . . 3.330 2.575 2.495 2.664 . 0 0 "[ . 1 . 2]" 1
974 1 32 HIS HE1 1 36 GLN QE . . 4.520 3.347 3.162 3.478 . 0 0 "[ . 1 . 2]" 1
975 1 33 TYR H 1 33 TYR QB . . 3.280 2.507 2.413 2.570 . 0 0 "[ . 1 . 2]" 1
976 1 33 TYR H 1 36 GLN QE . . 4.920 4.961 4.948 4.973 0.053 9 0 "[ . 1 . 2]" 1
977 1 33 TYR QB 1 36 GLN QE . . 4.670 3.657 3.490 3.763 . 0 0 "[ . 1 . 2]" 1
978 1 33 TYR QD 1 36 GLN QE . . 3.770 2.134 2.063 2.203 . 0 0 "[ . 1 . 2]" 1
979 1 34 LEU QD 1 68 PHE HZ . . 3.700 3.250 2.434 4.462 0.762 18 3 "[ - . *1 . + 2]" 1
980 1 36 GLN H 1 37 TYR QB . . 4.650 4.550 4.508 4.584 . 0 0 "[ . 1 . 2]" 1
981 1 36 GLN QG 1 37 TYR QB . . 4.860 3.872 3.745 3.987 . 0 0 "[ . 1 . 2]" 1
982 1 37 TYR HA 1 40 VAL QG . . 4.540 3.485 3.326 3.656 . 0 0 "[ . 1 . 2]" 1
983 1 37 TYR QB 1 38 ILE H . . 3.600 2.388 2.296 2.468 . 0 0 "[ . 1 . 2]" 1
984 1 37 TYR QB 1 38 ILE QG . . 4.650 3.180 2.949 3.443 . 0 0 "[ . 1 . 2]" 1
985 1 37 TYR QD 1 38 ILE QG . . 4.570 2.931 2.716 3.601 . 0 0 "[ . 1 . 2]" 1
986 1 37 TYR QD 1 41 LYS QD . . 4.470 3.942 3.275 4.526 0.056 20 0 "[ . 1 . 2]" 1
987 1 37 TYR QD 1 59 LEU QD . . 4.050 2.278 2.166 2.446 . 0 0 "[ . 1 . 2]" 1
988 1 37 TYR QE 1 41 LYS QD . . 4.750 3.501 2.869 4.253 . 0 0 "[ . 1 . 2]" 1
989 1 37 TYR QE 1 59 LEU QB . . 3.870 2.363 2.140 2.721 . 0 0 "[ . 1 . 2]" 1
990 1 37 TYR QE 1 59 LEU QD . . 4.030 2.565 2.326 3.213 . 0 0 "[ . 1 . 2]" 1
991 1 38 ILE H 1 38 ILE QG . . 3.840 2.160 2.111 2.263 . 0 0 "[ . 1 . 2]" 1
992 1 38 ILE HA 1 38 ILE QG . . 3.240 2.530 2.443 2.589 . 0 0 "[ . 1 . 2]" 1
993 1 38 ILE HA 1 43 LEU QB . . 4.010 3.819 2.804 4.046 0.036 13 0 "[ . 1 . 2]" 1
994 1 38 ILE MG 1 43 LEU QB . . 4.360 3.229 2.288 3.722 . 0 0 "[ . 1 . 2]" 1
995 1 38 ILE QG 1 68 PHE HZ . . 4.220 2.792 2.594 3.185 . 0 0 "[ . 1 . 2]" 1
996 1 39 MET QB 1 44 TYR QE . . 4.710 4.287 4.083 4.605 . 0 0 "[ . 1 . 2]" 1
997 1 39 MET QB 1 40 VAL QG . . 5.240 3.333 3.164 3.558 . 0 0 "[ . 1 . 2]" 1
998 1 40 VAL H 1 40 VAL QG . . 3.080 2.451 2.300 2.494 . 0 0 "[ . 1 . 2]" 1
999 1 40 VAL H 1 41 LYS QD . . 5.140 5.095 4.640 5.210 0.070 1 0 "[ . 1 . 2]" 1
1000 1 40 VAL HA 1 40 VAL QG . . 2.580 2.135 2.131 2.144 . 0 0 "[ . 1 . 2]" 1
1001 1 40 VAL HB 1 41 LYS QD . . 4.610 3.789 3.251 4.022 . 0 0 "[ . 1 . 2]" 1
1002 1 40 VAL QG 1 41 LYS H . . 3.320 3.042 3.002 3.119 . 0 0 "[ . 1 . 2]" 1
1003 1 40 VAL QG 1 41 LYS HA . . 3.480 3.442 3.379 3.600 0.120 7 0 "[ . 1 . 2]" 1
1004 1 40 VAL QG 1 41 LYS QD . . 3.350 2.749 2.460 3.056 . 0 0 "[ . 1 . 2]" 1
1005 1 40 VAL QG 1 41 LYS QE . . 5.190 3.885 3.511 4.253 . 0 0 "[ . 1 . 2]" 1
1006 1 40 VAL QG 1 42 GLN H . . 4.290 4.379 4.318 4.406 0.116 1 0 "[ . 1 . 2]" 1
1007 1 41 LYS H 1 41 LYS QD . . 4.030 3.037 2.587 3.255 . 0 0 "[ . 1 . 2]" 1
1008 1 41 LYS HA 1 41 LYS QD . . 3.630 2.344 2.230 2.815 . 0 0 "[ . 1 . 2]" 1
1009 1 41 LYS HA 1 42 GLN QE . . 4.800 4.118 3.892 4.298 . 0 0 "[ . 1 . 2]" 1
1010 1 41 LYS QZ 1 59 LEU QB . . 4.250 4.200 4.058 4.275 0.025 7 0 "[ . 1 . 2]" 1
1011 1 41 LYS QZ 1 59 LEU QD . . 4.680 4.679 4.438 4.768 0.088 1 0 "[ . 1 . 2]" 1
1012 1 42 GLN H 1 42 GLN QB . . 3.420 2.831 2.792 2.904 . 0 0 "[ . 1 . 2]" 1
1013 1 42 GLN H 1 42 GLN QE . . 4.560 3.993 3.781 4.072 . 0 0 "[ . 1 . 2]" 1
1014 1 42 GLN H 1 43 LEU QD . . 5.440 4.851 4.281 5.258 . 0 0 "[ . 1 . 2]" 1
1015 1 42 GLN HA 1 42 GLN QE . . 4.820 4.547 4.348 4.604 . 0 0 "[ . 1 . 2]" 1
1016 1 42 GLN QB 1 44 TYR H . . 5.080 4.244 4.114 4.330 . 0 0 "[ . 1 . 2]" 1
1017 1 42 GLN QB 1 44 TYR QE . . 4.360 3.099 2.901 3.174 . 0 0 "[ . 1 . 2]" 1
1018 1 43 LEU H 1 43 LEU QD . . 4.020 3.502 3.157 3.771 . 0 0 "[ . 1 . 2]" 1
1019 1 43 LEU HA 1 43 LEU QD . . 2.920 2.119 1.987 2.300 . 0 0 "[ . 1 . 2]" 1
1020 1 43 LEU QB 1 53 TYR H . . 4.940 3.487 2.607 3.977 . 0 0 "[ . 1 . 2]" 1
1021 1 43 LEU QB 1 53 TYR QB . . 4.230 3.899 2.703 4.247 0.017 3 0 "[ . 1 . 2]" 1
1022 1 43 LEU QD 1 53 TYR H . . 4.850 4.051 3.285 4.688 . 0 0 "[ . 1 . 2]" 1
1023 1 43 LEU QD 1 54 CYS HA . . 3.980 2.221 1.998 3.190 . 0 0 "[ . 1 . 2]" 1
1024 1 43 LEU QD 1 54 CYS QB . . 3.710 3.694 3.007 4.477 0.767 2 3 "[ + . - *. 2]" 1
1025 1 44 TYR QD 1 49 GLN QG . . 4.090 2.711 2.387 3.111 . 0 0 "[ . 1 . 2]" 1
1026 1 44 TYR QE 1 49 GLN QE . . 4.560 3.219 2.641 4.033 . 0 0 "[ . 1 . 2]" 1
1027 1 45 ASP QB 1 46 GLN H . . 4.090 3.556 3.191 3.749 . 0 0 "[ . 1 . 2]" 1
1028 1 45 ASP QB 1 47 GLN H . . 4.940 3.398 3.115 3.763 . 0 0 "[ . 1 . 2]" 1
1029 1 45 ASP QB 1 48 GLU H . . 3.470 2.323 2.248 2.473 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ASP QB 1 48 GLU QB . . 4.290 3.644 2.108 3.842 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ASP QB 1 51 MET H . . 5.170 3.872 3.710 4.227 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ASP QB 1 51 MET QB . . 4.280 2.623 2.342 2.873 . 0 0 "[ . 1 . 2]" 1
1033 1 45 ASP QB 1 51 MET QG . . 4.840 3.138 2.606 3.553 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ASP QB 1 53 TYR QD . . 4.720 3.526 2.636 4.321 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ASP QB 1 53 TYR QE . . 3.750 2.549 2.332 3.032 . 0 0 "[ . 1 . 2]" 1
1036 1 46 GLN H 1 46 GLN QB . . 3.340 2.625 1.925 2.995 . 0 0 "[ . 1 . 2]" 1
1037 1 46 GLN QB 1 47 GLN H . . 2.950 2.715 2.516 3.012 0.062 18 0 "[ . 1 . 2]" 1
1038 1 46 GLN QB 1 47 GLN HA . . 4.270 3.982 3.811 4.149 . 0 0 "[ . 1 . 2]" 1
1039 1 46 GLN QB 1 47 GLN QE . . 4.070 2.679 2.252 3.294 . 0 0 "[ . 1 . 2]" 1
1040 1 46 GLN QB 1 48 GLU H . . 4.710 4.626 4.448 4.773 0.063 14 0 "[ . 1 . 2]" 1
1041 1 46 GLN QG 1 47 GLN QE . . 4.250 3.901 3.589 4.252 0.002 20 0 "[ . 1 . 2]" 1
1042 1 46 GLN QE 1 47 GLN H . . 4.510 2.862 2.511 3.872 . 0 0 "[ . 1 . 2]" 1
1043 1 46 GLN QE 1 47 GLN HA . . 5.270 4.624 2.708 5.247 . 0 0 "[ . 1 . 2]" 1
1044 1 46 GLN QE 1 47 GLN QG . . 4.830 3.657 2.275 4.823 . 0 0 "[ . 1 . 2]" 1
1045 1 46 GLN QE 1 47 GLN QE . . 4.560 3.197 2.168 3.952 . 0 0 "[ . 1 . 2]" 1
1046 1 46 GLN QE 1 48 GLU H . . 4.450 4.477 4.380 4.557 0.107 17 0 "[ . 1 . 2]" 1
1047 1 47 GLN H 1 47 GLN QB . . 3.150 2.413 2.257 2.521 . 0 0 "[ . 1 . 2]" 1
1048 1 47 GLN H 1 48 GLU QG . . 4.140 3.785 3.648 3.926 . 0 0 "[ . 1 . 2]" 1
1049 1 47 GLN HA 1 47 GLN QE . . 5.140 3.929 2.941 4.312 . 0 0 "[ . 1 . 2]" 1
1050 1 47 GLN HA 1 48 GLU QG . . 4.520 4.550 4.531 4.572 0.052 2 0 "[ . 1 . 2]" 1
1051 1 47 GLN HA 1 49 GLN QE . . 5.340 4.436 3.529 5.367 0.027 5 0 "[ . 1 . 2]" 1
1052 1 47 GLN QB 1 47 GLN QG . . 2.310 2.007 1.989 2.020 . 0 0 "[ . 1 . 2]" 1
1053 1 47 GLN QB 1 48 GLU H . . 3.920 3.130 2.827 3.418 . 0 0 "[ . 1 . 2]" 1
1054 1 47 GLN QB 1 48 GLU HA . . 4.620 4.518 4.279 4.633 0.013 17 0 "[ . 1 . 2]" 1
1055 1 48 GLU H 1 48 GLU QG . . 3.480 2.578 2.399 2.777 . 0 0 "[ . 1 . 2]" 1
1056 1 48 GLU QG 1 51 MET H . . 4.360 3.739 3.480 4.468 0.108 12 0 "[ . 1 . 2]" 1
1057 1 50 HIS HA 1 52 VAL QG . . 5.230 4.257 3.869 4.604 . 0 0 "[ . 1 . 2]" 1
1058 1 50 HIS HD2 1 69 SER QB . . 4.400 3.341 2.683 4.403 0.003 3 0 "[ . 1 . 2]" 1
1059 1 50 HIS HD2 1 70 VAL QG . . 4.790 2.590 2.198 3.666 . 0 0 "[ . 1 . 2]" 1
1060 1 51 MET H 1 52 VAL QG . . 5.440 4.238 4.092 4.516 . 0 0 "[ . 1 . 2]" 1
1061 1 52 VAL HA 1 53 TYR QB . . 4.650 4.321 4.102 4.474 . 0 0 "[ . 1 . 2]" 1
1062 1 52 VAL QG 1 53 TYR H . . 3.990 2.632 2.412 2.989 . 0 0 "[ . 1 . 2]" 1
1063 1 52 VAL QG 1 53 TYR HA . . 5.100 3.775 3.669 3.964 . 0 0 "[ . 1 . 2]" 1
1064 1 52 VAL QG 1 68 PHE QD . . 3.550 3.264 2.937 3.435 . 0 0 "[ . 1 . 2]" 1
1065 1 52 VAL QG 1 68 PHE QE . . 3.770 2.562 2.450 2.735 . 0 0 "[ . 1 . 2]" 1
1066 1 52 VAL QG 1 68 PHE HZ . . 4.140 2.637 2.515 2.856 . 0 0 "[ . 1 . 2]" 1
1067 1 53 TYR H 1 53 TYR QB . . 3.430 2.488 2.364 2.661 . 0 0 "[ . 1 . 2]" 1
1068 1 53 TYR H 1 67 SER QB . . 5.050 5.078 5.067 5.093 0.043 4 0 "[ . 1 . 2]" 1
1069 1 53 TYR HA 1 54 CYS QB . . 4.110 4.032 3.801 4.162 0.052 7 0 "[ . 1 . 2]" 1
1070 1 53 TYR HA 1 67 SER QB . . 3.630 2.859 2.744 2.980 . 0 0 "[ . 1 . 2]" 1
1071 1 53 TYR QB 1 54 CYS H . . 3.650 2.775 2.335 3.715 0.065 17 0 "[ . 1 . 2]" 1
1072 1 53 TYR QB 1 55 GLY H . . 5.340 2.961 2.640 3.771 . 0 0 "[ . 1 . 2]" 1
1073 1 53 TYR QD 1 67 SER QB . . 3.780 2.274 2.175 2.475 . 0 0 "[ . 1 . 2]" 1
1074 1 53 TYR QE 1 67 SER QB . . 4.550 2.721 2.569 3.082 . 0 0 "[ . 1 . 2]" 1
1075 1 54 CYS H 1 55 GLY QA . . 5.210 3.862 3.585 4.521 . 0 0 "[ . 1 . 2]" 1
1076 1 54 CYS HA 1 55 GLY QA . . 4.580 4.376 4.328 4.506 . 0 0 "[ . 1 . 2]" 1
1077 1 54 CYS HA 1 57 ASP QB . . 4.410 3.030 2.621 3.464 . 0 0 "[ . 1 . 2]" 1
1078 1 54 CYS QB 1 55 GLY QA . . 4.080 4.109 3.923 4.146 0.066 17 0 "[ . 1 . 2]" 1
1079 1 54 CYS QB 1 57 ASP H . . 5.210 3.553 2.800 3.875 . 0 0 "[ . 1 . 2]" 1
1080 1 54 CYS QB 1 57 ASP QB . . 3.960 2.888 2.286 3.727 . 0 0 "[ . 1 . 2]" 1
1081 1 54 CYS QB 1 59 LEU QB . . 3.980 3.513 3.043 3.943 . 0 0 "[ . 1 . 2]" 1
1082 1 54 CYS QB 1 59 LEU HG . . 4.650 3.981 3.490 4.622 . 0 0 "[ . 1 . 2]" 1
1083 1 54 CYS QB 1 59 LEU QD . . 3.650 3.880 3.466 4.157 0.507 2 1 "[ + . 1 . 2]" 1
1084 1 54 CYS QB 1 60 GLY H . . 4.020 2.736 2.493 3.004 . 0 0 "[ . 1 . 2]" 1
1085 1 54 CYS QB 1 60 GLY QA . . 3.890 2.372 2.073 3.158 . 0 0 "[ . 1 . 2]" 1
1086 1 54 CYS QB 1 66 GLN HA . . 3.280 2.079 1.925 2.269 . 0 0 "[ . 1 . 2]" 1
1087 1 54 CYS QB 1 66 GLN QG . . 3.120 3.158 3.136 3.210 0.090 13 0 "[ . 1 . 2]" 1
1088 1 55 GLY QA 1 66 GLN QG . . 4.130 3.037 2.295 3.428 . 0 0 "[ . 1 . 2]" 1
1089 1 55 GLY QA 1 66 GLN QE . . 5.180 3.984 3.773 4.613 . 0 0 "[ . 1 . 2]" 1
1090 1 56 GLY H 1 57 ASP QB . . 5.340 4.636 4.342 4.826 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ASP H 1 59 LEU QB . . 5.220 5.228 4.771 5.274 0.054 12 0 "[ . 1 . 2]" 1
1092 1 57 ASP QB 1 58 LEU QB . . 5.180 4.832 4.550 5.016 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ASP QB 1 59 LEU H . . 3.840 2.984 2.645 3.113 . 0 0 "[ . 1 . 2]" 1
1094 1 57 ASP QB 1 59 LEU QB . . 4.680 2.986 2.622 3.172 . 0 0 "[ . 1 . 2]" 1
1095 1 57 ASP QB 1 60 GLY H . . 3.970 2.686 2.468 3.060 . 0 0 "[ . 1 . 2]" 1
1096 1 58 LEU H 1 58 LEU QB . . 3.490 2.280 2.045 2.449 . 0 0 "[ . 1 . 2]" 1
1097 1 58 LEU QB 1 59 LEU H . . 3.910 3.020 2.967 3.101 . 0 0 "[ . 1 . 2]" 1
1098 1 59 LEU H 1 59 LEU QB . . 3.250 2.215 2.156 2.275 . 0 0 "[ . 1 . 2]" 1
1099 1 59 LEU HA 1 59 LEU QD . . 3.210 2.129 2.059 2.289 . 0 0 "[ . 1 . 2]" 1
1100 1 59 LEU HA 1 62 LEU QB . . 3.760 2.401 2.274 2.722 . 0 0 "[ . 1 . 2]" 1
1101 1 59 LEU QB 1 60 GLY H . . 4.000 2.705 2.488 2.795 . 0 0 "[ . 1 . 2]" 1
1102 1 59 LEU QD 1 60 GLY H . . 4.810 4.010 3.770 4.095 . 0 0 "[ . 1 . 2]" 1
1103 1 59 LEU QD 1 63 LEU QD . . 3.830 2.061 1.925 2.232 . 0 0 "[ . 1 . 2]" 1
1104 1 60 GLY H 1 63 LEU QD . . 5.440 4.694 4.371 5.018 . 0 0 "[ . 1 . 2]" 1
1105 1 60 GLY QA 1 63 LEU QB . . 3.710 2.842 2.519 3.149 . 0 0 "[ . 1 . 2]" 1
1106 1 60 GLY QA 1 63 LEU QD . . 4.960 3.475 2.916 3.932 . 0 0 "[ . 1 . 2]" 1
1107 1 61 GLU H 1 61 GLU QG . . 3.610 3.751 3.730 3.787 0.177 16 0 "[ . 1 . 2]" 1
1108 1 61 GLU H 1 62 LEU QB . . 4.760 4.396 4.333 4.464 . 0 0 "[ . 1 . 2]" 1
1109 1 61 GLU QG 1 62 LEU H . . 4.390 3.304 3.216 3.544 . 0 0 "[ . 1 . 2]" 1
1110 1 61 GLU QG 1 62 LEU HA . . 3.600 3.601 3.567 3.639 0.039 14 0 "[ . 1 . 2]" 1
1111 1 61 GLU QG 1 62 LEU QB . . 4.480 4.053 3.824 4.281 . 0 0 "[ . 1 . 2]" 1
1112 1 61 GLU QG 1 62 LEU QD . . 4.100 4.664 4.437 5.219 1.119 14 8 "[ * . 1- *+**** 2]" 1
1113 1 62 LEU H 1 62 LEU QB . . 2.890 2.176 2.144 2.233 . 0 0 "[ . 1 . 2]" 1
1114 1 62 LEU H 1 62 LEU QD . . 4.050 3.739 3.711 3.786 . 0 0 "[ . 1 . 2]" 1
1115 1 62 LEU QB 1 63 LEU H . . 3.320 2.520 2.403 2.582 . 0 0 "[ . 1 . 2]" 1
1116 1 62 LEU QD 1 63 LEU H . . 4.850 3.674 3.028 3.909 . 0 0 "[ . 1 . 2]" 1
1117 1 63 LEU H 1 63 LEU QB . . 3.050 2.244 2.109 2.364 . 0 0 "[ . 1 . 2]" 1
1118 1 63 LEU H 1 63 LEU QD . . 4.000 2.787 2.426 3.246 . 0 0 "[ . 1 . 2]" 1
1119 1 63 LEU HA 1 63 LEU QD . . 3.330 2.303 2.126 2.631 . 0 0 "[ . 1 . 2]" 1
1120 1 63 LEU QB 1 63 LEU QD . . 2.860 1.963 1.930 1.988 . 0 0 "[ . 1 . 2]" 1
1121 1 63 LEU QB 1 64 GLY H . . 3.770 3.040 2.847 3.194 . 0 0 "[ . 1 . 2]" 1
1122 1 63 LEU QB 1 65 ARG QD . . 4.560 3.876 2.194 4.591 0.031 8 0 "[ . 1 . 2]" 1
1123 1 63 LEU QB 1 68 PHE QE . . 4.640 4.226 3.954 4.555 . 0 0 "[ . 1 . 2]" 1
1124 1 63 LEU QD 1 65 ARG H . . 4.630 4.102 3.764 4.341 . 0 0 "[ . 1 . 2]" 1
1125 1 63 LEU QD 1 65 ARG QD . . 5.330 4.442 3.266 5.002 . 0 0 "[ . 1 . 2]" 1
1126 1 63 LEU QD 1 68 PHE QD . . 5.250 2.881 2.646 3.155 . 0 0 "[ . 1 . 2]" 1
1127 1 63 LEU QD 1 68 PHE QE . . 3.660 2.392 2.164 2.612 . 0 0 "[ . 1 . 2]" 1
1128 1 63 LEU QD 1 68 PHE HZ . . 4.290 3.280 2.882 3.740 . 0 0 "[ . 1 . 2]" 1
1129 1 63 LEU QD 1 75 PRO QB . . 4.590 2.306 2.134 2.768 . 0 0 "[ . 1 . 2]" 1
1130 1 63 LEU QD 1 76 LEU HA . . 3.390 2.844 2.154 3.395 0.005 15 0 "[ . 1 . 2]" 1
1131 1 63 LEU QD 1 79 MET H . . 4.530 4.519 3.901 5.184 0.654 4 2 "[ +. 1 .- 2]" 1
1132 1 63 LEU QD 1 79 MET QG . . 4.850 3.878 3.574 4.276 . 0 0 "[ . 1 . 2]" 1
1133 1 63 LEU QD 1 79 MET ME . . 3.470 3.258 2.991 3.582 0.112 1 0 "[ . 1 . 2]" 1
1134 1 64 GLY QA 1 65 ARG HA . . 4.550 4.138 4.054 4.250 . 0 0 "[ . 1 . 2]" 1
1135 1 64 GLY QA 1 65 ARG QG . . 4.820 4.004 3.296 4.827 0.007 7 0 "[ . 1 . 2]" 1
1136 1 65 ARG H 1 65 ARG QG . . 3.640 3.157 2.578 3.687 0.047 11 0 "[ . 1 . 2]" 1
1137 1 65 ARG QB 1 66 GLN H . . 4.120 2.800 2.447 3.256 . 0 0 "[ . 1 . 2]" 1
1138 1 65 ARG QB 1 67 SER H . . 3.430 2.560 2.362 2.846 . 0 0 "[ . 1 . 2]" 1
1139 1 65 ARG QB 1 68 PHE QD . . 5.340 4.439 3.581 5.356 0.016 19 0 "[ . 1 . 2]" 1
1140 1 65 ARG QG 1 67 SER H . . 4.530 3.962 2.834 4.625 0.095 17 0 "[ . 1 . 2]" 1
1141 1 65 ARG QG 1 75 PRO QB . . 3.870 3.291 2.638 3.894 0.024 16 0 "[ . 1 . 2]" 1
1142 1 65 ARG QD 1 75 PRO QB . . 4.110 2.535 2.099 3.497 . 0 0 "[ . 1 . 2]" 1
1143 1 67 SER QB 1 68 PHE H . . 4.020 2.717 2.567 2.865 . 0 0 "[ . 1 . 2]" 1
1144 1 68 PHE HA 1 69 SER QB . . 4.360 4.070 3.815 4.360 . 0 0 "[ . 1 . 2]" 1
1145 1 68 PHE QB 1 69 SER H . . 3.670 2.271 2.153 2.361 . 0 0 "[ . 1 . 2]" 1
1146 1 68 PHE QD 1 75 PRO QG . . 4.580 3.738 2.712 4.159 . 0 0 "[ . 1 . 2]" 1
1147 1 69 SER H 1 69 SER QB . . 3.450 2.984 2.605 3.090 . 0 0 "[ . 1 . 2]" 1
1148 1 69 SER H 1 70 VAL QG . . 5.440 5.144 5.017 5.467 0.027 9 0 "[ . 1 . 2]" 1
1149 1 69 SER QB 1 71 LYS H . . 4.910 2.792 2.474 3.080 . 0 0 "[ . 1 . 2]" 1
1150 1 69 SER QB 1 72 ASP H . . 4.390 3.347 2.686 3.595 . 0 0 "[ . 1 . 2]" 1
1151 1 70 VAL QG 1 71 LYS H . . 4.350 3.017 2.670 3.610 . 0 0 "[ . 1 . 2]" 1
1152 1 71 LYS H 1 71 LYS QG . . 4.140 2.945 2.327 4.070 . 0 0 "[ . 1 . 2]" 1
1153 1 71 LYS H 1 73 PRO QD . . 5.070 3.953 3.765 4.381 . 0 0 "[ . 1 . 2]" 1
1154 1 71 LYS HA 1 71 LYS QG . . 3.630 2.705 2.340 3.381 . 0 0 "[ . 1 . 2]" 1
1155 1 72 ASP H 1 72 ASP QB . . 3.620 2.554 2.458 2.724 . 0 0 "[ . 1 . 2]" 1
1156 1 72 ASP H 1 73 PRO QD . . 4.670 2.890 2.544 3.094 . 0 0 "[ . 1 . 2]" 1
1157 1 72 ASP HA 1 73 PRO QG . . 4.560 4.175 4.046 4.300 . 0 0 "[ . 1 . 2]" 1
1158 1 72 ASP HA 1 73 PRO QD . . 3.210 2.294 2.140 2.410 . 0 0 "[ . 1 . 2]" 1
1159 1 73 PRO QG 1 74 SER H . . 4.380 3.229 2.959 3.589 . 0 0 "[ . 1 . 2]" 1
1160 1 73 PRO QG 1 77 TYR QD . . 4.810 3.253 3.019 3.528 . 0 0 "[ . 1 . 2]" 1
1161 1 73 PRO QG 1 77 TYR QE . . 3.690 2.306 2.124 2.583 . 0 0 "[ . 1 . 2]" 1
1162 1 73 PRO QD 1 74 SER H . . 3.240 2.941 2.706 3.245 0.005 7 0 "[ . 1 . 2]" 1
1163 1 74 SER HA 1 77 TYR QB . . 3.910 2.776 2.490 3.038 . 0 0 "[ . 1 . 2]" 1
1164 1 75 PRO HA 1 78 ASP QB . . 3.030 2.473 2.109 2.789 . 0 0 "[ . 1 . 2]" 1
1165 1 76 LEU HA 1 76 LEU QD . . 3.900 2.851 2.304 3.192 . 0 0 "[ . 1 . 2]" 1
1166 1 76 LEU QB 1 77 TYR QE . . 4.870 3.871 3.363 4.176 . 0 0 "[ . 1 . 2]" 1
1167 1 76 LEU QD 1 77 TYR QD . . 4.570 3.716 3.113 4.279 . 0 0 "[ . 1 . 2]" 1
1168 1 76 LEU QD 1 77 TYR QE . . 4.140 3.551 2.711 4.295 0.155 18 0 "[ . 1 . 2]" 1
1169 1 76 LEU QD 1 79 MET ME . . 4.350 2.480 1.950 3.039 . 0 0 "[ . 1 . 2]" 1
1170 1 77 TYR H 1 77 TYR QB . . 3.620 2.446 2.401 2.488 . 0 0 "[ . 1 . 2]" 1
1171 1 77 TYR QB 1 78 ASP H . . 3.970 2.806 2.676 2.914 . 0 0 "[ . 1 . 2]" 1
1172 1 77 TYR QD 1 80 LEU QD . . 3.790 3.197 2.360 3.871 0.081 3 0 "[ . 1 . 2]" 1
1173 1 78 ASP HA 1 81 ARG QG . . 4.890 2.026 1.945 2.092 . 0 0 "[ . 1 . 2]" 1
1174 1 78 ASP QB 1 81 ARG QG . . 4.210 3.842 3.725 3.940 . 0 0 "[ . 1 . 2]" 1
1175 1 79 MET H 1 79 MET QG . . 3.560 3.595 3.371 3.717 0.157 17 0 "[ . 1 . 2]" 1
1176 1 79 MET QG 1 80 LEU H . . 4.690 2.776 2.457 3.073 . 0 0 "[ . 1 . 2]" 1
1177 1 80 LEU H 1 80 LEU QB . . 3.560 2.433 2.261 2.825 . 0 0 "[ . 1 . 2]" 1
1178 1 80 LEU H 1 80 LEU QD . . 4.130 3.144 2.963 3.240 . 0 0 "[ . 1 . 2]" 1
1179 1 80 LEU HA 1 83 ASN QB . . 3.970 3.024 2.617 3.541 . 0 0 "[ . 1 . 2]" 1
1180 1 80 LEU HA 1 84 LEU QD . . 4.080 3.748 3.055 5.222 1.142 17 4 "[ - . 1* * + 2]" 1
1181 1 80 LEU QB 1 81 ARG H . . 3.850 2.950 2.537 3.775 . 0 0 "[ . 1 . 2]" 1
1182 1 80 LEU QB 1 81 ARG HA . . 4.400 4.099 3.771 4.466 0.066 2 0 "[ . 1 . 2]" 1
1183 1 80 LEU QB 1 83 ASN H . . 5.260 4.475 4.112 4.686 . 0 0 "[ . 1 . 2]" 1
1184 1 80 LEU QB 1 86 THR MG . . 4.500 3.048 2.220 4.515 0.015 10 0 "[ . 1 . 2]" 1
1185 1 80 LEU QD 1 81 ARG H . . 5.440 3.869 2.336 4.335 . 0 0 "[ . 1 . 2]" 1
1186 1 81 ARG H 1 81 ARG QG . . 3.760 2.294 2.172 2.496 . 0 0 "[ . 1 . 2]" 1
1187 1 81 ARG HA 1 81 ARG QG . . 3.650 3.515 3.482 3.549 . 0 0 "[ . 1 . 2]" 1
1188 1 81 ARG QG 1 82 LYS H . . 3.650 2.555 2.236 2.973 . 0 0 "[ . 1 . 2]" 1
1189 1 82 LYS QB 1 83 ASN QB . . 4.790 4.162 3.107 4.807 0.017 9 0 "[ . 1 . 2]" 1
1190 1 82 LYS QG 1 83 ASN QB . . 4.720 4.263 3.119 4.771 0.051 10 0 "[ . 1 . 2]" 1
1191 1 83 ASN H 1 83 ASN QB . . 3.270 2.384 2.231 2.540 . 0 0 "[ . 1 . 2]" 1
1192 1 83 ASN H 1 84 LEU QD . . 4.660 4.120 3.585 5.815 1.155 17 3 "[ - . 1* . + 2]" 1
1193 1 84 LEU H 1 84 LEU QB . . 3.110 2.746 2.048 3.107 . 0 0 "[ . 1 . 2]" 1
1194 1 84 LEU H 1 84 LEU QD . . 3.970 2.328 1.860 3.836 . 0 0 "[ . 1 . 2]" 1
1195 1 84 LEU HA 1 85 VAL QG . . 4.650 3.607 3.285 4.099 . 0 0 "[ . 1 . 2]" 1
1196 1 84 LEU QD 1 85 VAL H . . 4.440 3.576 2.008 4.131 . 0 0 "[ . 1 . 2]" 1
1197 1 84 LEU QD 1 86 THR H . . 4.120 3.966 2.608 4.849 0.729 6 3 "[ .+ -1 . * 2]" 1
1198 1 84 LEU QD 1 86 THR HB . . 4.320 2.501 1.837 3.115 . 0 0 "[ . 1 . 2]" 1
1199 1 85 VAL H 1 85 VAL QG . . 4.050 2.187 1.916 2.370 . 0 0 "[ . 1 . 2]" 1
1200 1 85 VAL HA 1 85 VAL QG . . 3.070 2.178 2.117 2.307 . 0 0 "[ . 1 . 2]" 1
1201 1 85 VAL QG 1 86 THR HA . . 4.410 3.842 3.524 4.399 . 0 0 "[ . 1 . 2]" 1
1202 1 87 LEU HA 1 87 LEU QD . . 3.160 2.249 2.090 3.433 0.273 8 0 "[ . 1 . 2]" 1
1203 1 87 LEU QD 1 88 ALA H . . 4.500 3.431 3.001 4.414 . 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 40
_Distance_constraint_stats_list.Viol_count 335
_Distance_constraint_stats_list.Viol_total 189.523
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0208
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.0283
_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 12 LEU 0.039 0.039 19 0 "[ . 1 . 2]"
1 13 LYS 0.511 0.050 19 0 "[ . 1 . 2]"
1 16 HIS 0.299 0.039 19 0 "[ . 1 . 2]"
1 17 ALA 0.511 0.050 19 0 "[ . 1 . 2]"
1 19 GLY 0.260 0.022 18 0 "[ . 1 . 2]"
1 26 THR 0.872 0.034 5 0 "[ . 1 . 2]"
1 27 VAL 0.828 0.037 14 0 "[ . 1 . 2]"
1 30 VAL 0.872 0.034 5 0 "[ . 1 . 2]"
1 31 MET 0.828 0.037 14 0 "[ . 1 . 2]"
1 33 TYR 0.007 0.003 16 0 "[ . 1 . 2]"
1 34 LEU 0.024 0.012 16 0 "[ . 1 . 2]"
1 35 GLY 0.659 0.043 8 0 "[ . 1 . 2]"
1 36 GLN 0.066 0.030 1 0 "[ . 1 . 2]"
1 37 TYR 0.007 0.003 16 0 "[ . 1 . 2]"
1 38 ILE 0.816 0.085 7 0 "[ . 1 . 2]"
1 39 MET 0.659 0.043 8 0 "[ . 1 . 2]"
1 40 VAL 0.066 0.030 1 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 0.792 0.085 7 0 "[ . 1 . 2]"
1 48 GLU 0.267 0.026 12 0 "[ . 1 . 2]"
1 51 MET 0.267 0.026 12 0 "[ . 1 . 2]"
1 54 CYS 0.192 0.038 3 0 "[ . 1 . 2]"
1 57 ASP 2.194 0.081 17 0 "[ . 1 . 2]"
1 58 LEU 0.002 0.002 7 0 "[ . 1 . 2]"
1 59 LEU 0.042 0.017 3 0 "[ . 1 . 2]"
1 60 GLY 0.689 0.048 16 0 "[ . 1 . 2]"
1 61 GLU 2.003 0.081 17 0 "[ . 1 . 2]"
1 62 LEU 0.002 0.002 7 0 "[ . 1 . 2]"
1 63 LEU 0.042 0.017 3 0 "[ . 1 . 2]"
1 64 GLY 0.689 0.048 16 0 "[ . 1 . 2]"
1 76 LEU 2.181 0.139 14 0 "[ . 1 . 2]"
1 77 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 2.223 0.139 14 0 "[ . 1 . 2]"
1 81 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.042 0.021 19 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 12 LEU O 1 16 HIS H . . 2.000 1.902 1.827 2.039 0.039 19 0 "[ . 1 . 2]" 2
2 1 12 LEU O 1 16 HIS N . . 3.000 2.853 2.802 2.981 . 0 0 "[ . 1 . 2]" 2
3 1 13 LYS O 1 17 ALA H . . 2.000 2.026 2.004 2.050 0.050 19 0 "[ . 1 . 2]" 2
4 1 13 LYS O 1 17 ALA N . . 3.000 2.956 2.915 2.985 . 0 0 "[ . 1 . 2]" 2
5 1 16 HIS O 1 19 GLY H . . 2.000 2.013 2.005 2.022 0.022 18 0 "[ . 1 . 2]" 2
6 1 16 HIS O 1 19 GLY N . . 3.000 2.953 2.929 2.974 . 0 0 "[ . 1 . 2]" 2
7 1 26 THR O 1 30 VAL H . . 2.000 2.021 2.009 2.030 0.030 5 0 "[ . 1 . 2]" 2
8 1 26 THR O 1 30 VAL N . . 3.000 3.023 3.008 3.034 0.034 5 0 "[ . 1 . 2]" 2
9 1 27 VAL O 1 31 MET H . . 2.000 2.024 2.011 2.037 0.037 14 0 "[ . 1 . 2]" 2
10 1 27 VAL O 1 31 MET N . . 3.000 3.017 3.003 3.033 0.033 19 0 "[ . 1 . 2]" 2
11 1 33 TYR O 1 37 TYR H . . 2.000 1.957 1.885 2.003 0.003 16 0 "[ . 1 . 2]" 2
12 1 33 TYR O 1 37 TYR N . . 3.000 2.884 2.840 2.929 . 0 0 "[ . 1 . 2]" 2
13 1 34 LEU O 1 38 ILE H . . 2.000 1.946 1.890 2.004 0.004 16 0 "[ . 1 . 2]" 2
14 1 34 LEU O 1 38 ILE N . . 3.000 2.956 2.901 3.012 0.012 16 0 "[ . 1 . 2]" 2
15 1 35 GLY O 1 39 MET H . . 2.000 2.022 2.002 2.031 0.031 11 0 "[ . 1 . 2]" 2
16 1 35 GLY O 1 39 MET N . . 3.000 3.010 2.984 3.043 0.043 8 0 "[ . 1 . 2]" 2
17 1 36 GLN O 1 40 VAL H . . 2.000 1.957 1.860 2.030 0.030 1 0 "[ . 1 . 2]" 2
18 1 36 GLN O 1 40 VAL N . . 3.000 2.884 2.823 2.933 . 0 0 "[ . 1 . 2]" 2
19 1 38 ILE O 1 42 GLN H . . 2.000 2.040 2.020 2.085 0.085 7 0 "[ . 1 . 2]" 2
20 1 38 ILE O 1 42 GLN N . . 3.000 2.765 2.697 2.812 . 0 0 "[ . 1 . 2]" 2
21 1 37 TYR O 1 41 LYS H . . 2.000 1.830 1.798 1.920 . 0 0 "[ . 1 . 2]" 2
22 1 37 TYR O 1 41 LYS N . . 3.000 2.841 2.810 2.931 . 0 0 "[ . 1 . 2]" 2
23 1 48 GLU O 1 51 MET H . . 2.000 2.006 1.947 2.026 0.026 12 0 "[ . 1 . 2]" 2
24 1 48 GLU O 1 51 MET N . . 3.000 2.989 2.898 3.011 0.011 3 0 "[ . 1 . 2]" 2
25 1 54 CYS O 1 57 ASP H . . 2.000 1.992 1.888 2.038 0.038 3 0 "[ . 1 . 2]" 2
26 1 54 CYS O 1 57 ASP N . . 3.000 2.983 2.883 3.027 0.027 18 0 "[ . 1 . 2]" 2
27 1 57 ASP O 1 61 GLU H . . 2.000 2.071 2.049 2.081 0.081 17 0 "[ . 1 . 2]" 2
28 1 57 ASP O 1 61 GLU N . . 3.000 3.029 3.010 3.047 0.047 8 0 "[ . 1 . 2]" 2
29 1 58 LEU O 1 62 LEU H . . 2.000 1.925 1.862 2.002 0.002 7 0 "[ . 1 . 2]" 2
30 1 58 LEU O 1 62 LEU N . . 3.000 2.860 2.807 2.922 . 0 0 "[ . 1 . 2]" 2
31 1 59 LEU O 1 63 LEU H . . 2.000 1.932 1.871 2.017 0.017 3 0 "[ . 1 . 2]" 2
32 1 59 LEU O 1 63 LEU N . . 3.000 2.929 2.868 3.007 0.007 3 0 "[ . 1 . 2]" 2
33 1 60 GLY O 1 64 GLY H . . 2.000 2.034 2.021 2.048 0.048 16 0 "[ . 1 . 2]" 2
34 1 60 GLY O 1 64 GLY N . . 3.000 2.851 2.761 2.911 . 0 0 "[ . 1 . 2]" 2
35 1 76 LEU O 1 80 LEU H . . 2.000 2.089 2.052 2.139 0.139 14 0 "[ . 1 . 2]" 2
36 1 76 LEU O 1 80 LEU N . . 3.000 3.003 2.928 3.062 0.062 2 0 "[ . 1 . 2]" 2
37 1 77 TYR O 1 81 ARG H . . 2.000 1.805 1.777 1.854 . 0 0 "[ . 1 . 2]" 2
38 1 77 TYR O 1 81 ARG N . . 3.000 2.797 2.764 2.827 . 0 0 "[ . 1 . 2]" 2
39 1 80 LEU O 1 83 ASN H . . 2.000 1.963 1.899 2.021 0.021 19 0 "[ . 1 . 2]" 2
40 1 80 LEU O 1 83 ASN N . . 3.000 2.841 2.787 2.915 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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