NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400074 |
1ujr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ujr
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 1257
_Distance_constraint_stats_list.Viol_count 1466
_Distance_constraint_stats_list.Viol_total 4848.439
_Distance_constraint_stats_list.Viol_max 2.640
_Distance_constraint_stats_list.Viol_rms 0.0812
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1654
_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 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.838 0.421 6 0 "[ . 1 . 2]"
1 10 ASP 0.041 0.020 8 0 "[ . 1 . 2]"
1 11 LYS 4.403 0.607 2 5 "[ +**. * 1 - . 2]"
1 12 PRO 3.099 0.570 7 4 "[ **. + 1 - . 2]"
1 13 THR 1.187 0.164 20 0 "[ . 1 . 2]"
1 14 LEU 2.916 0.440 9 0 "[ . 1 . 2]"
1 15 LEU 8.297 0.818 4 5 "[ +.* *- . *2]"
1 16 SER 0.689 0.339 19 0 "[ . 1 . 2]"
1 17 PRO 0.268 0.044 19 0 "[ . 1 . 2]"
1 18 GLU 1.568 0.687 9 1 "[ . +1 . 2]"
1 19 GLU 6.075 0.818 4 5 "[ +.* *- . *2]"
1 20 LEU 0.048 0.025 19 0 "[ . 1 . 2]"
1 21 LYS 2.709 0.687 9 1 "[ . +1 . 2]"
1 22 ALA 0.999 0.083 1 0 "[ . 1 . 2]"
1 23 ALA 0.728 0.083 1 0 "[ . 1 . 2]"
1 24 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 1.285 0.665 6 1 "[ .+ 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 3.617 0.254 9 0 "[ . 1 . 2]"
1 29 GLU 12.597 0.707 1 7 "[+ - ** 1 *** 2]"
1 30 TYR 8.554 0.740 2 3 "[ + . 1 * . *2]"
1 31 ALA 2.218 0.718 2 2 "[ + . 1 . -2]"
1 32 TRP 61.187 2.640 4 20 [*-*+****************]
1 33 TYR 2.522 0.219 19 0 "[ . 1 . 2]"
1 34 TYR 4.062 0.345 9 0 "[ . 1 . 2]"
1 35 GLU 1.114 0.286 2 0 "[ . 1 . 2]"
1 36 GLY 1.385 0.286 2 0 "[ . 1 . 2]"
1 37 ARG 3.390 0.728 15 3 "[ . 1- + * 2]"
1 38 ASN 0.365 0.044 20 0 "[ . 1 . 2]"
1 39 GLY 0.491 0.126 18 0 "[ . 1 . 2]"
1 40 TRP 3.429 0.518 19 1 "[ . 1 . +2]"
1 41 TRP 0.899 0.186 8 0 "[ . 1 . 2]"
1 42 GLN 4.824 0.461 8 0 "[ . 1 . 2]"
1 43 TYR 14.370 0.537 19 1 "[ . 1 . +2]"
1 44 ASP 0.727 0.208 4 0 "[ . 1 . 2]"
1 45 GLU 2.756 0.295 15 0 "[ . 1 . 2]"
1 46 ARG 7.142 0.723 6 5 "[ .+ * - *. *]"
1 47 THR 7.934 0.723 6 6 "[ .+ * * *. -*]"
1 48 SER 0.630 0.171 19 0 "[ . 1 . 2]"
1 49 ARG 0.007 0.003 4 0 "[ . 1 . 2]"
1 50 GLU 0.742 0.174 19 0 "[ . 1 . 2]"
1 51 LEU 2.327 0.233 16 0 "[ . 1 . 2]"
1 52 GLU 0.177 0.097 13 0 "[ . 1 . 2]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.150 0.039 9 0 "[ . 1 . 2]"
1 55 PHE 0.711 0.400 10 0 "[ . 1 . 2]"
1 56 SER 0.014 0.012 19 0 "[ . 1 . 2]"
1 57 LYS 12.360 0.800 7 6 "[ * -. + 1* ** 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 3.857 0.800 7 2 "[ . + 1 - 2]"
1 60 LYS 10.050 0.726 20 3 "[ . * - . +]"
1 61 ASN 4.742 0.660 10 1 "[ . + . 2]"
1 62 THR 3.045 0.659 6 1 "[ .+ 1 . 2]"
1 63 GLU 4.840 0.787 19 2 "[ .- 1 . +2]"
1 64 MET 0.503 0.068 1 0 "[ . 1 . 2]"
1 65 LEU 4.761 0.805 18 2 "[ - 1 . + 2]"
1 66 ILE 3.726 0.739 18 2 "[ - 1 . + 2]"
1 67 ALA 0.038 0.038 12 0 "[ . 1 . 2]"
1 68 GLY 3.386 0.805 18 2 "[ - 1 . + 2]"
1 69 PHE 2.225 0.203 10 0 "[ . 1 . 2]"
1 70 LEU 2.970 0.787 19 1 "[ . 1 . +2]"
1 71 TYR 4.704 0.633 20 1 "[ . 1 . +]"
1 72 VAL 3.633 0.433 10 0 "[ . 1 . 2]"
1 73 ALA 0.222 0.098 12 0 "[ . 1 . 2]"
1 74 ASP 1.886 0.317 15 0 "[ . 1 . 2]"
1 75 LEU 4.936 0.317 15 0 "[ . 1 . 2]"
1 76 GLU 4.072 0.705 8 1 "[ . + 1 . 2]"
1 77 ASN 1.624 0.162 10 0 "[ . 1 . 2]"
1 78 MET 7.738 0.725 20 7 "[ ** * * .*- +]"
1 79 VAL 2.860 0.355 18 0 "[ . 1 . 2]"
1 80 GLN 1.388 0.355 18 0 "[ . 1 . 2]"
1 81 TYR 9.652 0.829 13 1 "[ . 1 + . 2]"
1 82 ARG 3.966 0.633 20 1 "[ . 1 . +]"
1 83 ARG 7.258 0.732 18 1 "[ . 1 . + 2]"
1 84 ASN 0.733 0.171 9 0 "[ . 1 . 2]"
1 85 GLU 4.040 0.441 7 0 "[ . 1 . 2]"
1 86 HIS 0.003 0.003 10 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.850 0.127 11 0 "[ . 1 . 2]"
1 89 ARG 12.389 0.829 13 7 "[- .*** 1 +*. *2]"
1 90 ARG 8.183 0.722 6 7 "[- .+** 1 **. *2]"
1 91 LYS 3.590 0.719 7 2 "[ . + 1 . -2]"
1 92 ILE 9.185 0.725 20 7 "[ ** * * .*- +]"
1 93 LYS 2.202 0.483 12 0 "[ . 1 . 2]"
1 94 ARG 61.583 2.640 4 20 [*-*+****************]
1 95 ASP 1.509 0.439 12 0 "[ . 1 . 2]"
1 96 ILE 2.259 0.237 2 0 "[ . 1 . 2]"
1 97 ILE 9.267 0.604 13 2 "[ - . 1 + . 2]"
1 98 ASP 7.203 0.444 13 0 "[ . 1 . 2]"
1 99 ILE 2.514 0.444 13 0 "[ . 1 . 2]"
1 100 PRO 0.154 0.112 16 0 "[ . 1 . 2]"
1 101 LYS 1.107 0.216 12 0 "[ . 1 . 2]"
1 102 LYS 0.987 0.216 12 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 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 72 VAL HA 1 73 ALA H . . 3.390 2.206 2.182 2.289 . 0 0 "[ . 1 . 2]" 1
2 1 73 ALA H 1 73 ALA MB . . 3.670 2.178 2.045 2.360 . 0 0 "[ . 1 . 2]" 1
3 1 62 THR MG 1 73 ALA H . . 3.750 2.907 1.981 3.727 . 0 0 "[ . 1 . 2]" 1
4 1 65 LEU HG 1 68 GLY H . . 4.730 4.356 4.109 4.846 0.116 5 0 "[ . 1 . 2]" 1
5 1 67 ALA MB 1 68 GLY H . . 4.580 3.646 3.634 3.666 . 0 0 "[ . 1 . 2]" 1
6 1 65 LEU MD1 1 68 GLY H . . 4.760 3.446 2.702 4.980 0.220 18 0 "[ . 1 . 2]" 1
7 1 70 LEU QD 1 71 TYR H . . 4.360 2.877 2.133 4.073 . 0 0 "[ . 1 . 2]" 1
8 1 65 LEU HA 1 71 TYR H . . 4.810 2.779 2.510 3.101 . 0 0 "[ . 1 . 2]" 1
9 1 70 LEU HA 1 71 TYR H . . 3.400 2.182 2.176 2.190 . 0 0 "[ . 1 . 2]" 1
10 1 71 TYR H 1 71 TYR HB2 . . 4.100 2.216 2.101 2.301 . 0 0 "[ . 1 . 2]" 1
11 1 65 LEU HA 1 66 ILE H . . 3.340 2.196 2.177 2.214 . 0 0 "[ . 1 . 2]" 1
12 1 66 ILE H 1 70 LEU HA . . 4.190 3.232 2.757 3.793 . 0 0 "[ . 1 . 2]" 1
13 1 65 LEU HB3 1 66 ILE H . . 4.860 4.518 4.291 4.639 . 0 0 "[ . 1 . 2]" 1
14 1 66 ILE H 1 66 ILE HG12 . . 4.510 2.449 2.005 3.273 . 0 0 "[ . 1 . 2]" 1
15 1 65 LEU MD1 1 66 ILE H . . 4.330 2.658 1.891 5.069 0.739 18 2 "[ - 1 . + 2]" 1
16 1 66 ILE H 1 66 ILE HG13 . . 4.590 3.066 1.930 3.744 . 0 0 "[ . 1 . 2]" 1
17 1 66 ILE H 1 66 ILE MG . . 4.170 3.774 3.729 3.887 . 0 0 "[ . 1 . 2]" 1
18 1 66 ILE H 1 66 ILE MD . . 5.500 3.480 3.178 3.778 . 0 0 "[ . 1 . 2]" 1
19 1 43 TYR H 1 43 TYR HB3 . . 3.770 3.437 3.397 3.468 . 0 0 "[ . 1 . 2]" 1
20 1 64 MET HA 1 65 LEU H . . 3.330 2.308 2.203 2.527 . 0 0 "[ . 1 . 2]" 1
21 1 65 LEU H 1 65 LEU HB2 . . 3.900 2.931 2.587 3.293 . 0 0 "[ . 1 . 2]" 1
22 1 65 LEU H 1 65 LEU HB3 . . 3.650 2.436 2.189 2.695 . 0 0 "[ . 1 . 2]" 1
23 1 65 LEU H 1 65 LEU MD1 . . 4.860 4.162 4.057 4.580 . 0 0 "[ . 1 . 2]" 1
24 1 13 THR HA 1 14 LEU H . . 3.490 2.641 2.247 3.631 0.141 3 0 "[ . 1 . 2]" 1
25 1 13 THR HB 1 14 LEU H . . 3.750 3.600 2.093 3.879 0.129 19 0 "[ . 1 . 2]" 1
26 1 14 LEU H 1 14 LEU HB2 . . 3.640 2.897 2.074 4.080 0.440 9 0 "[ . 1 . 2]" 1
27 1 41 TRP H 1 41 TRP HB3 . . 3.960 3.512 3.191 3.739 . 0 0 "[ . 1 . 2]" 1
28 1 74 ASP HB2 1 75 LEU H . . 5.120 4.525 4.281 4.703 . 0 0 "[ . 1 . 2]" 1
29 1 61 ASN HB3 1 75 LEU H . . 5.470 4.033 3.078 4.795 . 0 0 "[ . 1 . 2]" 1
30 1 61 ASN HA 1 75 LEU H . . 4.400 2.523 2.046 2.927 . 0 0 "[ . 1 . 2]" 1
31 1 75 LEU H 1 75 LEU HB2 . . 3.930 2.560 2.435 2.648 . 0 0 "[ . 1 . 2]" 1
32 1 97 ILE MD 1 98 ASP H . . 4.670 3.337 2.334 4.196 . 0 0 "[ . 1 . 2]" 1
33 1 96 ILE HG12 1 97 ILE H . . 5.300 4.790 4.307 5.382 0.082 2 0 "[ . 1 . 2]" 1
34 1 97 ILE H 1 97 ILE MG . . 3.990 3.668 2.785 3.982 . 0 0 "[ . 1 . 2]" 1
35 1 96 ILE MG 1 97 ILE H . . 3.940 2.387 1.910 3.531 . 0 0 "[ . 1 . 2]" 1
36 1 94 ARG H 1 95 ASP H . . 5.070 4.328 4.079 4.477 . 0 0 "[ . 1 . 2]" 1
37 1 93 LYS HA 1 94 ARG H . . 3.330 2.380 2.221 2.492 . 0 0 "[ . 1 . 2]" 1
38 1 93 LYS HB2 1 94 ARG H . . 3.810 2.824 2.535 3.256 . 0 0 "[ . 1 . 2]" 1
39 1 94 ARG H 1 94 ARG HB3 . . 3.720 2.856 2.495 3.179 . 0 0 "[ . 1 . 2]" 1
40 1 83 ARG H 1 83 ARG HB2 . . 3.590 2.139 2.024 2.312 . 0 0 "[ . 1 . 2]" 1
41 1 82 ARG HA 1 83 ARG H . . 3.350 2.333 2.244 2.537 . 0 0 "[ . 1 . 2]" 1
42 1 83 ARG H 1 83 ARG HB3 . . 3.550 3.073 2.651 3.482 . 0 0 "[ . 1 . 2]" 1
43 1 41 TRP HA 1 42 GLN H . . 3.600 2.346 2.219 2.529 . 0 0 "[ . 1 . 2]" 1
44 1 41 TRP HB3 1 42 GLN H . . 4.320 2.980 2.465 3.677 . 0 0 "[ . 1 . 2]" 1
45 1 42 GLN H 1 42 GLN HB3 . . 3.470 2.915 2.368 3.038 . 0 0 "[ . 1 . 2]" 1
46 1 42 GLN H 1 42 GLN HB2 . . 3.340 2.323 2.224 2.823 . 0 0 "[ . 1 . 2]" 1
47 1 63 GLU H 1 72 VAL QG . . 5.050 4.136 3.762 4.893 . 0 0 "[ . 1 . 2]" 1
48 1 31 ALA H 1 33 TYR QE . . 5.120 4.461 3.699 4.898 . 0 0 "[ . 1 . 2]" 1
49 1 30 TYR HA 1 31 ALA H . . 3.490 2.367 2.209 2.591 . 0 0 "[ . 1 . 2]" 1
50 1 30 TYR HB2 1 31 ALA H . . 3.800 3.001 2.280 4.518 0.718 2 2 "[ + . 1 . -2]" 1
51 1 88 ARG HA 1 89 ARG H . . 3.380 2.228 2.225 2.232 . 0 0 "[ . 1 . 2]" 1
52 1 89 ARG H 1 89 ARG HD3 . . 5.330 4.823 4.295 5.386 0.056 8 0 "[ . 1 . 2]" 1
53 1 89 ARG H 1 89 ARG HB3 . . 3.500 3.191 3.074 3.344 . 0 0 "[ . 1 . 2]" 1
54 1 62 THR HA 1 63 GLU H . . 3.440 2.232 2.149 2.435 . 0 0 "[ . 1 . 2]" 1
55 1 62 THR HB 1 63 GLU H . . 4.510 4.218 2.809 4.449 . 0 0 "[ . 1 . 2]" 1
56 1 63 GLU H 1 63 GLU HG3 . . 4.670 2.948 2.386 4.046 . 0 0 "[ . 1 . 2]" 1
57 1 63 GLU H 1 63 GLU HB2 . . 3.510 2.528 2.330 3.636 0.126 19 0 "[ . 1 . 2]" 1
58 1 62 THR MG 1 63 GLU H . . 4.280 3.794 2.961 4.163 . 0 0 "[ . 1 . 2]" 1
59 1 34 TYR HB2 1 35 GLU H . . 4.670 3.119 2.815 3.471 . 0 0 "[ . 1 . 2]" 1
60 1 14 LEU HA 1 15 LEU H . . 3.230 2.691 2.184 3.278 0.048 10 0 "[ . 1 . 2]" 1
61 1 15 LEU H 1 15 LEU MD2 . . 4.320 3.498 1.862 4.402 0.082 2 0 "[ . 1 . 2]" 1
62 1 13 THR MG 1 15 LEU H . . 5.230 4.206 2.224 5.230 0.000 17 0 "[ . 1 . 2]" 1
63 1 34 TYR HB3 1 35 GLU H . . 4.380 4.272 4.083 4.454 0.074 20 0 "[ . 1 . 2]" 1
64 1 35 GLU H 1 35 GLU HB3 . . 3.780 2.696 2.411 3.073 . 0 0 "[ . 1 . 2]" 1
65 1 35 GLU H 1 35 GLU HB2 . . 4.170 2.309 2.092 2.546 . 0 0 "[ . 1 . 2]" 1
66 1 8 PHE HB3 1 9 LEU H . . 5.170 3.903 2.315 4.718 . 0 0 "[ . 1 . 2]" 1
67 1 8 PHE HB2 1 9 LEU H . . 5.050 4.106 3.245 4.735 . 0 0 "[ . 1 . 2]" 1
68 1 91 LYS H 1 91 LYS HB2 . . 4.070 2.167 2.027 2.562 . 0 0 "[ . 1 . 2]" 1
69 1 35 GLU HB3 1 91 LYS H . . 3.230 2.728 2.195 3.193 . 0 0 "[ . 1 . 2]" 1
70 1 90 ARG HB2 1 91 LYS H . . 4.150 3.974 3.446 4.197 0.047 10 0 "[ . 1 . 2]" 1
71 1 35 GLU HB2 1 91 LYS H . . 4.540 2.521 1.944 3.247 . 0 0 "[ . 1 . 2]" 1
72 1 65 LEU MD1 1 70 LEU H . . 4.570 3.485 3.082 4.826 0.256 5 0 "[ . 1 . 2]" 1
73 1 21 LYS QB 1 22 ALA H . . 4.470 3.028 2.428 3.726 . 0 0 "[ . 1 . 2]" 1
74 1 70 LEU H 1 70 LEU QD . . 4.730 2.938 2.097 3.716 . 0 0 "[ . 1 . 2]" 1
75 1 101 LYS HA 1 102 LYS H . . 3.590 3.600 3.424 3.639 0.049 14 0 "[ . 1 . 2]" 1
76 1 102 LYS H 1 102 LYS HB2 . . 3.780 2.437 2.061 3.628 . 0 0 "[ . 1 . 2]" 1
77 1 102 LYS H 1 102 LYS HB3 . . 3.770 2.852 2.268 3.452 . 0 0 "[ . 1 . 2]" 1
78 1 101 LYS HG2 1 102 LYS H . . 4.610 4.064 1.966 4.826 0.216 12 0 "[ . 1 . 2]" 1
79 1 98 ASP HA 1 99 ILE H . . 3.420 2.734 2.253 3.655 0.235 16 0 "[ . 1 . 2]" 1
80 1 98 ASP HB2 1 99 ILE H . . 5.300 4.064 1.901 4.713 . 0 0 "[ . 1 . 2]" 1
81 1 98 ASP HB3 1 99 ILE H . . 5.330 3.965 1.853 4.680 . 0 0 "[ . 1 . 2]" 1
82 1 99 ILE H 1 99 ILE HB . . 3.780 3.308 2.401 3.804 0.024 3 0 "[ . 1 . 2]" 1
83 1 99 ILE H 1 99 ILE HG13 . . 4.320 3.238 1.966 4.286 . 0 0 "[ . 1 . 2]" 1
84 1 99 ILE H 1 99 ILE HG12 . . 4.480 3.569 2.246 4.623 0.143 16 0 "[ . 1 . 2]" 1
85 1 98 ASP H 1 99 ILE H . . 3.750 3.213 1.873 4.020 0.270 5 0 "[ . 1 . 2]" 1
86 1 51 LEU H 1 52 GLU H . . 3.170 2.756 2.442 2.979 . 0 0 "[ . 1 . 2]" 1
87 1 99 ILE H 1 100 PRO HD3 . . 5.190 4.369 3.529 4.799 . 0 0 "[ . 1 . 2]" 1
88 1 50 GLU HG2 1 51 LEU H . . 4.700 4.372 2.265 4.573 . 0 0 "[ . 1 . 2]" 1
89 1 50 GLU QB 1 51 LEU H . . 4.080 2.830 2.661 3.515 . 0 0 "[ . 1 . 2]" 1
90 1 51 LEU H 1 51 LEU HG . . 3.470 2.545 1.989 3.687 0.217 19 0 "[ . 1 . 2]" 1
91 1 99 ILE H 1 99 ILE MD . . 4.130 2.966 1.797 4.153 0.023 7 0 "[ . 1 . 2]" 1
92 1 51 LEU H 1 51 LEU HB2 . . 3.830 2.405 2.269 2.560 . 0 0 "[ . 1 . 2]" 1
93 1 51 LEU H 1 51 LEU QD . . 4.500 2.760 1.746 3.296 . 0 0 "[ . 1 . 2]" 1
94 1 24 SER HB2 1 25 ARG H . . 4.950 3.097 2.086 4.071 . 0 0 "[ . 1 . 2]" 1
95 1 25 ARG H 1 25 ARG HB3 . . 4.130 3.279 2.222 3.577 . 0 0 "[ . 1 . 2]" 1
96 1 44 ASP HB3 1 45 GLU H . . 3.840 2.369 1.934 3.329 . 0 0 "[ . 1 . 2]" 1
97 1 44 ASP HB2 1 45 GLU H . . 4.070 2.804 1.912 3.517 . 0 0 "[ . 1 . 2]" 1
98 1 45 GLU H 1 45 GLU HG3 . . 4.540 4.609 4.525 4.835 0.295 15 0 "[ . 1 . 2]" 1
99 1 45 GLU H 1 45 GLU HB3 . . 3.590 3.252 3.115 3.537 . 0 0 "[ . 1 . 2]" 1
100 1 89 ARG HA 1 90 ARG H . . 3.330 2.524 2.409 2.637 . 0 0 "[ . 1 . 2]" 1
101 1 90 ARG H 1 90 ARG HB2 . . 4.080 2.827 2.723 2.988 . 0 0 "[ . 1 . 2]" 1
102 1 89 ARG HB3 1 90 ARG H . . 4.190 3.985 3.831 4.148 . 0 0 "[ . 1 . 2]" 1
103 1 89 ARG HB2 1 90 ARG H . . 3.590 2.617 2.379 2.865 . 0 0 "[ . 1 . 2]" 1
104 1 89 ARG HG2 1 90 ARG H . . 3.970 4.154 3.664 4.692 0.722 6 7 "[- .+** 1 **. *2]" 1
105 1 89 ARG HG3 1 90 ARG H . . 4.590 3.264 2.703 3.872 . 0 0 "[ . 1 . 2]" 1
106 1 79 VAL QG 1 90 ARG H . . 5.010 3.843 2.380 4.233 . 0 0 "[ . 1 . 2]" 1
107 1 19 GLU H 1 20 LEU H . . 3.420 2.708 2.420 3.010 . 0 0 "[ . 1 . 2]" 1
108 1 20 LEU H 1 21 LYS H . . 3.490 2.724 2.278 3.052 . 0 0 "[ . 1 . 2]" 1
109 1 17 PRO HA 1 20 LEU H . . 4.780 3.620 3.393 3.925 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLU HB2 1 20 LEU H . . 4.110 3.446 2.822 4.075 . 0 0 "[ . 1 . 2]" 1
111 1 19 GLU HB3 1 20 LEU H . . 4.250 3.202 2.823 3.511 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU H 1 20 LEU QB . . 3.220 1.989 1.962 2.065 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU H 1 20 LEU QD . . 4.670 3.616 3.445 3.696 . 0 0 "[ . 1 . 2]" 1
114 1 101 LYS H 1 101 LYS HB3 . . 3.690 2.640 2.315 3.496 . 0 0 "[ . 1 . 2]" 1
115 1 100 PRO HA 1 101 LYS H . . 3.160 2.407 2.148 2.668 . 0 0 "[ . 1 . 2]" 1
116 1 101 LYS H 1 101 LYS HB2 . . 3.710 2.838 2.218 3.663 . 0 0 "[ . 1 . 2]" 1
117 1 101 LYS H 1 101 LYS HG2 . . 5.090 4.058 1.993 4.739 . 0 0 "[ . 1 . 2]" 1
118 1 11 LYS H 1 12 PRO HD2 . . 5.500 4.527 3.446 5.033 . 0 0 "[ . 1 . 2]" 1
119 1 11 LYS H 1 11 LYS HB3 . . 4.080 3.544 2.863 3.990 . 0 0 "[ . 1 . 2]" 1
120 1 22 ALA HA 1 23 ALA H . . 3.560 3.591 3.538 3.643 0.083 1 0 "[ . 1 . 2]" 1
121 1 71 TYR QD 1 82 ARG H . . 4.530 3.788 2.824 4.343 . 0 0 "[ . 1 . 2]" 1
122 1 81 TYR HB3 1 82 ARG H . . 3.690 3.817 3.648 4.040 0.350 8 0 "[ . 1 . 2]" 1
123 1 82 ARG H 1 82 ARG HB3 . . 3.710 3.252 3.001 3.561 . 0 0 "[ . 1 . 2]" 1
124 1 82 ARG H 1 82 ARG HB2 . . 3.590 2.104 2.021 2.642 . 0 0 "[ . 1 . 2]" 1
125 1 82 ARG H 1 82 ARG HG3 . . 4.550 3.531 2.092 4.307 . 0 0 "[ . 1 . 2]" 1
126 1 82 ARG H 1 82 ARG HG2 . . 4.880 3.913 2.524 4.592 . 0 0 "[ . 1 . 2]" 1
127 1 88 ARG H 1 88 ARG HB3 . . 3.840 3.543 3.463 3.561 . 0 0 "[ . 1 . 2]" 1
128 1 88 ARG H 1 88 ARG HB2 . . 3.850 2.431 2.172 2.642 . 0 0 "[ . 1 . 2]" 1
129 1 88 ARG H 1 88 ARG HG2 . . 4.060 2.608 1.947 4.008 . 0 0 "[ . 1 . 2]" 1
130 1 87 GLY H 1 88 ARG H . . 4.550 2.962 2.750 3.124 . 0 0 "[ . 1 . 2]" 1
131 1 16 SER QB 1 19 GLU H . . 4.860 2.833 2.478 3.338 . 0 0 "[ . 1 . 2]" 1
132 1 16 SER H 1 19 GLU H . . 4.160 3.614 3.226 4.499 0.339 19 0 "[ . 1 . 2]" 1
133 1 19 GLU H 1 19 GLU HG2 . . 4.650 4.213 3.239 4.636 . 0 0 "[ . 1 . 2]" 1
134 1 19 GLU H 1 19 GLU HB2 . . 3.620 2.097 2.021 2.502 . 0 0 "[ . 1 . 2]" 1
135 1 18 GLU HB2 1 19 GLU H . . 3.870 3.058 2.607 4.137 0.267 9 0 "[ . 1 . 2]" 1
136 1 54 ALA H 1 75 LEU QD . . 4.640 4.254 3.777 4.489 . 0 0 "[ . 1 . 2]" 1
137 1 53 ASP H 1 54 ALA H . . 3.920 2.914 2.664 3.095 . 0 0 "[ . 1 . 2]" 1
138 1 51 LEU HA 1 54 ALA H . . 4.820 3.784 3.387 4.090 . 0 0 "[ . 1 . 2]" 1
139 1 53 ASP HB2 1 54 ALA H . . 4.020 2.968 2.289 3.832 . 0 0 "[ . 1 . 2]" 1
140 1 53 ASP HB3 1 54 ALA H . . 3.780 2.719 2.379 3.001 . 0 0 "[ . 1 . 2]" 1
141 1 54 ALA H 1 54 ALA MB . . 3.330 2.109 1.969 2.174 . 0 0 "[ . 1 . 2]" 1
142 1 54 ALA H 1 62 THR MG . . 4.850 4.382 3.862 4.708 . 0 0 "[ . 1 . 2]" 1
143 1 20 LEU QD 1 21 LYS H . . 5.330 3.691 3.223 4.160 . 0 0 "[ . 1 . 2]" 1
144 1 71 TYR HB2 1 72 VAL H . . 4.640 4.051 3.854 4.179 . 0 0 "[ . 1 . 2]" 1
145 1 71 TYR HA 1 72 VAL H . . 3.520 2.417 2.338 2.528 . 0 0 "[ . 1 . 2]" 1
146 1 71 TYR HB3 1 72 VAL H . . 4.130 2.744 2.459 2.949 . 0 0 "[ . 1 . 2]" 1
147 1 72 VAL H 1 72 VAL HB . . 3.970 3.001 2.616 3.892 . 0 0 "[ . 1 . 2]" 1
148 1 72 VAL H 1 72 VAL QG . . 3.720 2.680 2.231 2.963 . 0 0 "[ . 1 . 2]" 1
149 1 60 LYS HB3 1 76 GLU H . . 4.220 3.493 2.648 4.925 0.705 8 1 "[ . + 1 . 2]" 1
150 1 76 GLU H 1 76 GLU HG2 . . 4.220 3.501 2.863 4.060 . 0 0 "[ . 1 . 2]" 1
151 1 76 GLU H 1 76 GLU HG3 . . 3.410 3.402 3.011 3.678 0.268 11 0 "[ . 1 . 2]" 1
152 1 75 LEU HB2 1 76 GLU H . . 4.240 2.976 2.800 3.250 . 0 0 "[ . 1 . 2]" 1
153 1 21 LYS H 1 21 LYS QB . . 3.480 2.184 1.983 2.475 . 0 0 "[ . 1 . 2]" 1
154 1 20 LEU QB 1 21 LYS H . . 3.650 2.716 2.126 3.399 . 0 0 "[ . 1 . 2]" 1
155 1 50 GLU H 1 51 LEU H . . 3.450 2.271 2.183 2.448 . 0 0 "[ . 1 . 2]" 1
156 1 47 THR HA 1 50 GLU H . . 4.470 3.748 3.547 3.935 . 0 0 "[ . 1 . 2]" 1
157 1 50 GLU H 1 50 GLU HG3 . . 3.800 3.690 3.375 3.798 . 0 0 "[ . 1 . 2]" 1
158 1 50 GLU H 1 50 GLU QB . . 3.450 2.348 2.302 2.471 . 0 0 "[ . 1 . 2]" 1
159 1 49 ARG HB3 1 50 GLU H . . 3.970 3.639 3.332 3.867 . 0 0 "[ . 1 . 2]" 1
160 1 53 ASP H 1 53 ASP HB3 . . 3.850 3.220 2.518 3.550 . 0 0 "[ . 1 . 2]" 1
161 1 52 GLU QB 1 53 ASP H . . 3.590 2.695 2.164 3.440 . 0 0 "[ . 1 . 2]" 1
162 1 80 GLN H 1 90 ARG H . . 4.190 2.614 2.360 2.799 . 0 0 "[ . 1 . 2]" 1
163 1 79 VAL HB 1 80 GLN H . . 3.500 2.879 2.221 3.855 0.355 18 0 "[ . 1 . 2]" 1
164 1 80 GLN H 1 92 ILE MG . . 4.630 2.743 2.347 3.756 . 0 0 "[ . 1 . 2]" 1
165 1 79 VAL HA 1 80 GLN H . . 3.500 2.397 2.243 2.779 . 0 0 "[ . 1 . 2]" 1
166 1 80 GLN H 1 91 LYS HA . . 4.740 3.741 3.521 3.874 . 0 0 "[ . 1 . 2]" 1
167 1 80 GLN H 1 80 GLN QB . . 3.570 2.891 2.277 3.294 . 0 0 "[ . 1 . 2]" 1
168 1 80 GLN H 1 89 ARG HB2 . . 4.460 3.917 3.271 4.491 0.031 12 0 "[ . 1 . 2]" 1
169 1 79 VAL QG 1 80 GLN H . . 4.250 3.092 1.774 3.442 . 0 0 "[ . 1 . 2]" 1
170 1 80 GLN H 1 92 ILE HG12 . . 4.590 3.747 3.237 4.624 0.034 10 0 "[ . 1 . 2]" 1
171 1 45 GLU H 1 46 ARG H . . 4.530 2.050 1.837 2.344 . 0 0 "[ . 1 . 2]" 1
172 1 44 ASP HB3 1 46 ARG H . . 4.650 3.197 2.385 4.080 . 0 0 "[ . 1 . 2]" 1
173 1 45 GLU HB3 1 46 ARG H . . 3.710 2.749 2.369 3.135 . 0 0 "[ . 1 . 2]" 1
174 1 46 ARG H 1 46 ARG QB . . 3.240 2.365 2.142 2.630 . 0 0 "[ . 1 . 2]" 1
175 1 28 GLY HA2 1 29 GLU H . . 3.390 3.015 2.208 3.644 0.254 7 0 "[ . 1 . 2]" 1
176 1 29 GLU H 1 29 GLU QB . . 3.800 2.863 2.515 3.439 . 0 0 "[ . 1 . 2]" 1
177 1 40 TRP H 1 40 TRP HB2 . . 3.660 2.662 2.390 2.817 . 0 0 "[ . 1 . 2]" 1
178 1 33 TYR H 1 93 LYS H . . 4.190 2.554 2.293 2.836 . 0 0 "[ . 1 . 2]" 1
179 1 32 TRP HA 1 33 TYR H . . 3.430 2.316 2.220 2.478 . 0 0 "[ . 1 . 2]" 1
180 1 32 TRP HB3 1 33 TYR H . . 4.970 2.985 2.510 3.419 . 0 0 "[ . 1 . 2]" 1
181 1 32 TRP HB2 1 33 TYR H . . 4.430 4.118 3.789 4.421 . 0 0 "[ . 1 . 2]" 1
182 1 33 TYR H 1 93 LYS HG3 . . 5.500 3.286 2.610 3.647 . 0 0 "[ . 1 . 2]" 1
183 1 33 TYR H 1 43 TYR QD . . 5.090 4.461 3.852 4.891 . 0 0 "[ . 1 . 2]" 1
184 1 54 ALA H 1 55 PHE H . . 3.950 2.882 2.599 3.122 . 0 0 "[ . 1 . 2]" 1
185 1 32 TRP HZ2 1 55 PHE H . . 5.360 4.071 3.734 4.677 . 0 0 "[ . 1 . 2]" 1
186 1 52 GLU HA 1 55 PHE H . . 4.640 3.639 3.255 4.062 . 0 0 "[ . 1 . 2]" 1
187 1 55 PHE H 1 55 PHE HB3 . . 3.300 2.453 2.227 2.650 . 0 0 "[ . 1 . 2]" 1
188 1 54 ALA MB 1 55 PHE H . . 3.740 2.206 1.998 2.532 . 0 0 "[ . 1 . 2]" 1
189 1 55 PHE H 1 56 SER H . . 3.110 3.006 2.874 3.122 0.012 19 0 "[ . 1 . 2]" 1
190 1 64 MET H 1 71 TYR H . . 4.250 3.437 3.023 3.782 . 0 0 "[ . 1 . 2]" 1
191 1 64 MET H 1 64 MET HG2 . . 4.270 2.135 1.946 2.415 . 0 0 "[ . 1 . 2]" 1
192 1 64 MET H 1 64 MET HG3 . . 4.460 3.689 3.160 4.004 . 0 0 "[ . 1 . 2]" 1
193 1 64 MET H 1 64 MET HB3 . . 3.730 3.246 2.952 3.577 . 0 0 "[ . 1 . 2]" 1
194 1 55 PHE H 1 75 LEU QD . . 4.000 2.462 2.118 3.038 . 0 0 "[ . 1 . 2]" 1
195 1 95 ASP HB3 1 96 ILE H . . 4.540 3.191 2.668 4.185 . 0 0 "[ . 1 . 2]" 1
196 1 96 ILE H 1 96 ILE MD . . 4.100 3.504 2.775 3.931 . 0 0 "[ . 1 . 2]" 1
197 1 46 ARG H 1 46 ARG HG3 . . 4.360 3.423 2.149 4.400 0.040 5 0 "[ . 1 . 2]" 1
198 1 46 ARG H 1 46 ARG HG2 . . 4.190 3.084 1.996 4.521 0.331 7 0 "[ . 1 . 2]" 1
199 1 8 PHE H 1 8 PHE HB2 . . 4.110 3.279 2.198 4.023 . 0 0 "[ . 1 . 2]" 1
200 1 8 PHE H 1 8 PHE QD . . 5.380 3.408 2.137 4.502 . 0 0 "[ . 1 . 2]" 1
201 1 56 SER H 1 57 LYS H . . 3.950 2.784 2.433 2.953 . 0 0 "[ . 1 . 2]" 1
202 1 57 LYS H 1 58 GLY H . . 3.630 2.903 2.793 2.986 . 0 0 "[ . 1 . 2]" 1
203 1 56 SER HB3 1 57 LYS H . . 3.800 2.228 2.043 2.497 . 0 0 "[ . 1 . 2]" 1
204 1 54 ALA HA 1 57 LYS H . . 4.390 3.631 3.226 3.911 . 0 0 "[ . 1 . 2]" 1
205 1 57 LYS H 1 57 LYS HB2 . . 4.150 2.327 2.185 2.418 . 0 0 "[ . 1 . 2]" 1
206 1 57 LYS H 1 57 LYS HB3 . . 3.340 3.521 3.469 3.546 0.206 10 0 "[ . 1 . 2]" 1
207 1 57 LYS H 1 57 LYS HG2 . . 3.300 3.372 2.542 3.864 0.564 11 4 "[ * -. 1+ .* 2]" 1
208 1 57 LYS H 1 57 LYS HG3 . . 3.920 2.562 2.283 3.380 . 0 0 "[ . 1 . 2]" 1
209 1 64 MET H 1 64 MET ME . . 5.050 4.449 3.711 4.873 . 0 0 "[ . 1 . 2]" 1
210 1 104 VAL MG1 1 105 SER H . . 5.250 3.654 2.263 4.311 . 0 0 "[ . 1 . 2]" 1
211 1 48 SER H 1 49 ARG H . . 3.970 2.638 2.339 3.025 . 0 0 "[ . 1 . 2]" 1
212 1 49 ARG H 1 49 ARG HB2 . . 3.290 2.248 2.044 2.544 . 0 0 "[ . 1 . 2]" 1
213 1 49 ARG H 1 49 ARG HG2 . . 3.470 3.025 2.324 3.375 . 0 0 "[ . 1 . 2]" 1
214 1 49 ARG H 1 49 ARG HG3 . . 3.940 3.176 2.082 3.867 . 0 0 "[ . 1 . 2]" 1
215 1 59 LYS HA 1 60 LYS H . . 3.170 2.286 2.178 3.533 0.363 20 0 "[ . 1 . 2]" 1
216 1 60 LYS H 1 60 LYS HB3 . . 3.790 3.471 2.534 4.085 0.295 20 0 "[ . 1 . 2]" 1
217 1 60 LYS H 1 60 LYS HB2 . . 3.560 2.560 2.213 3.606 0.046 8 0 "[ . 1 . 2]" 1
218 1 60 LYS H 1 60 LYS HD3 . . 3.630 3.267 2.264 4.141 0.511 10 1 "[ . + . 2]" 1
219 1 60 LYS H 1 60 LYS HG2 . . 3.900 3.460 1.920 4.626 0.726 20 1 "[ . 1 . +]" 1
220 1 66 ILE H 1 69 PHE H . . 4.090 3.226 2.845 3.397 . 0 0 "[ . 1 . 2]" 1
221 1 68 GLY H 1 69 PHE H . . 2.920 2.934 2.762 3.064 0.144 6 0 "[ . 1 . 2]" 1
222 1 69 PHE H 1 69 PHE QD . . 4.240 4.093 4.004 4.284 0.044 10 0 "[ . 1 . 2]" 1
223 1 69 PHE H 1 71 TYR QD . . 4.520 4.549 4.304 4.723 0.203 10 0 "[ . 1 . 2]" 1
224 1 65 LEU HA 1 69 PHE H . . 5.210 4.277 4.135 4.446 . 0 0 "[ . 1 . 2]" 1
225 1 69 PHE H 1 69 PHE HB3 . . 3.750 3.639 3.314 3.791 0.041 11 0 "[ . 1 . 2]" 1
226 1 69 PHE H 1 69 PHE HB2 . . 4.030 2.711 2.533 2.817 . 0 0 "[ . 1 . 2]" 1
227 1 66 ILE HB 1 69 PHE H . . 5.500 3.744 3.557 3.894 . 0 0 "[ . 1 . 2]" 1
228 1 67 ALA MB 1 69 PHE H . . 5.280 4.664 4.382 4.786 . 0 0 "[ . 1 . 2]" 1
229 1 65 LEU HG 1 69 PHE H . . 5.140 4.153 3.526 4.407 . 0 0 "[ . 1 . 2]" 1
230 1 65 LEU MD1 1 69 PHE H . . 4.770 2.385 1.909 4.674 . 0 0 "[ . 1 . 2]" 1
231 1 76 GLU HB3 1 77 ASN HD22 . . 5.120 3.740 2.889 4.898 . 0 0 "[ . 1 . 2]" 1
232 1 32 TRP H 1 32 TRP HB2 . . 4.100 2.370 2.238 2.572 . 0 0 "[ . 1 . 2]" 1
233 1 72 VAL H 1 81 TYR H . . 4.120 3.165 2.744 3.461 . 0 0 "[ . 1 . 2]" 1
234 1 71 TYR QD 1 81 TYR H . . 5.000 4.313 3.774 4.637 . 0 0 "[ . 1 . 2]" 1
235 1 80 GLN QG 1 81 TYR H . . 4.680 4.034 3.442 4.340 . 0 0 "[ . 1 . 2]" 1
236 1 80 GLN QB 1 81 TYR H . . 4.040 3.148 2.754 3.570 . 0 0 "[ . 1 . 2]" 1
237 1 73 ALA MB 1 81 TYR H . . 4.820 4.786 4.636 4.918 0.098 12 0 "[ . 1 . 2]" 1
238 1 72 VAL HB 1 81 TYR H . . 4.650 3.833 3.304 4.942 0.292 13 0 "[ . 1 . 2]" 1
239 1 72 VAL QG 1 81 TYR H . . 4.860 3.436 2.110 3.975 . 0 0 "[ . 1 . 2]" 1
240 1 32 TRP HE1 1 52 GLU H . . 4.850 3.079 2.536 3.614 . 0 0 "[ . 1 . 2]" 1
241 1 52 GLU H 1 53 ASP H . . 3.440 2.735 2.437 2.955 . 0 0 "[ . 1 . 2]" 1
242 1 52 GLU H 1 52 GLU QB . . 3.480 2.308 2.031 2.691 . 0 0 "[ . 1 . 2]" 1
243 1 51 LEU HB2 1 52 GLU H . . 4.180 2.623 2.220 2.985 . 0 0 "[ . 1 . 2]" 1
244 1 51 LEU HB3 1 52 GLU H . . 4.490 3.587 3.198 4.064 . 0 0 "[ . 1 . 2]" 1
245 1 84 ASN HB2 1 85 GLU H . . 4.740 2.992 2.166 3.661 . 0 0 "[ . 1 . 2]" 1
246 1 85 GLU H 1 85 GLU HG2 . . 4.260 4.036 2.409 4.701 0.441 7 0 "[ . 1 . 2]" 1
247 1 85 GLU H 1 85 GLU HB2 . . 4.130 2.225 2.037 2.511 . 0 0 "[ . 1 . 2]" 1
248 1 85 GLU H 1 85 GLU HB3 . . 3.940 3.271 2.622 3.575 . 0 0 "[ . 1 . 2]" 1
249 1 84 ASN H 1 85 GLU H . . 4.440 2.634 2.322 2.990 . 0 0 "[ . 1 . 2]" 1
250 1 83 ARG HA 1 85 GLU H . . 5.500 5.078 4.660 5.396 . 0 0 "[ . 1 . 2]" 1
251 1 82 ARG HB2 1 85 GLU H . . 4.060 3.610 2.301 4.093 0.033 13 0 "[ . 1 . 2]" 1
252 1 15 LEU H 1 16 SER H . . 4.920 4.544 4.332 4.674 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU HA 1 16 SER H . . 3.390 2.677 2.431 3.466 0.076 19 0 "[ . 1 . 2]" 1
254 1 16 SER H 1 19 GLU HB2 . . 3.770 2.556 2.161 4.004 0.234 19 0 "[ . 1 . 2]" 1
255 1 16 SER H 1 19 GLU HB3 . . 3.910 3.644 3.261 3.922 0.012 1 0 "[ . 1 . 2]" 1
256 1 15 LEU HB2 1 16 SER H . . 4.030 2.542 1.881 3.478 . 0 0 "[ . 1 . 2]" 1
257 1 15 LEU HB3 1 16 SER H . . 3.960 3.035 2.143 3.802 . 0 0 "[ . 1 . 2]" 1
258 1 15 LEU MD2 1 16 SER H . . 5.500 4.073 3.151 4.800 . 0 0 "[ . 1 . 2]" 1
259 1 76 GLU H 1 78 MET H . . 3.670 3.574 3.458 3.663 . 0 0 "[ . 1 . 2]" 1
260 1 75 LEU HA 1 78 MET H . . 3.560 2.748 2.666 2.846 . 0 0 "[ . 1 . 2]" 1
261 1 104 VAL H 1 104 VAL HB . . 4.100 2.994 2.267 3.618 . 0 0 "[ . 1 . 2]" 1
262 1 104 VAL H 1 104 VAL MG2 . . 4.080 2.922 1.924 3.884 . 0 0 "[ . 1 . 2]" 1
263 1 29 GLU QB 1 30 TYR H . . 4.170 2.325 1.722 3.818 . 0 0 "[ . 1 . 2]" 1
264 1 30 TYR H 1 30 TYR HB3 . . 3.740 2.836 2.050 3.377 . 0 0 "[ . 1 . 2]" 1
265 1 83 ARG HB3 1 85 GLU H . . 4.780 4.761 4.514 5.100 0.320 9 0 "[ . 1 . 2]" 1
266 1 46 ARG HG2 1 47 THR H . . 4.800 3.844 1.946 4.817 0.017 4 0 "[ . 1 . 2]" 1
267 1 27 ASN H 1 27 ASN HB3 . . 4.180 3.278 2.490 3.514 . 0 0 "[ . 1 . 2]" 1
268 1 77 ASN H 1 78 MET H . . 3.360 2.123 2.058 2.186 . 0 0 "[ . 1 . 2]" 1
269 1 78 MET H 1 79 VAL H . . 3.450 2.679 2.527 2.843 . 0 0 "[ . 1 . 2]" 1
270 1 77 ASN HB2 1 78 MET H . . 4.620 3.426 3.260 3.603 . 0 0 "[ . 1 . 2]" 1
271 1 78 MET H 1 78 MET HB2 . . 3.720 3.219 3.045 3.423 . 0 0 "[ . 1 . 2]" 1
272 1 78 MET H 1 79 VAL QG . . 4.730 3.602 3.404 4.590 . 0 0 "[ . 1 . 2]" 1
273 1 54 ALA HA 1 59 LYS H . . 3.950 3.240 2.980 3.520 . 0 0 "[ . 1 . 2]" 1
274 1 57 LYS HB3 1 59 LYS H . . 4.240 3.340 2.805 3.715 . 0 0 "[ . 1 . 2]" 1
275 1 59 LYS H 1 59 LYS HB2 . . 3.210 2.297 2.122 2.512 . 0 0 "[ . 1 . 2]" 1
276 1 59 LYS H 1 75 LEU QD . . 4.920 4.666 4.059 4.896 . 0 0 "[ . 1 . 2]" 1
277 1 59 LYS H 1 59 LYS HB3 . . 4.030 3.502 3.428 3.547 . 0 0 "[ . 1 . 2]" 1
278 1 54 ALA MB 1 59 LYS H . . 3.820 3.773 3.636 3.834 0.014 1 0 "[ . 1 . 2]" 1
279 1 46 ARG QB 1 47 THR H . . 3.800 2.482 2.028 3.566 . 0 0 "[ . 1 . 2]" 1
280 1 18 GLU H 1 19 GLU H . . 4.190 2.350 2.214 2.490 . 0 0 "[ . 1 . 2]" 1
281 1 17 PRO HD3 1 18 GLU H . . 3.970 3.711 3.665 3.748 . 0 0 "[ . 1 . 2]" 1
282 1 18 GLU H 1 18 GLU HG3 . . 4.260 3.281 2.218 4.202 . 0 0 "[ . 1 . 2]" 1
283 1 17 PRO HG2 1 18 GLU H . . 4.770 3.481 3.225 3.630 . 0 0 "[ . 1 . 2]" 1
284 1 18 GLU H 1 18 GLU HB2 . . 3.370 2.305 2.068 3.555 0.185 9 0 "[ . 1 . 2]" 1
285 1 18 GLU H 1 20 LEU QB . . 5.170 4.827 4.593 5.011 . 0 0 "[ . 1 . 2]" 1
286 1 93 LYS H 1 93 LYS HG3 . . 5.210 3.142 2.813 3.319 . 0 0 "[ . 1 . 2]" 1
287 1 93 LYS H 1 93 LYS HG2 . . 4.880 2.836 2.675 3.185 . 0 0 "[ . 1 . 2]" 1
288 1 92 ILE HB 1 93 LYS H . . 3.950 2.741 2.525 3.006 . 0 0 "[ . 1 . 2]" 1
289 1 54 ALA HA 1 56 SER H . . 4.660 4.394 3.962 4.661 0.001 5 0 "[ . 1 . 2]" 1
290 1 55 PHE HB3 1 56 SER H . . 3.690 2.433 2.218 2.852 . 0 0 "[ . 1 . 2]" 1
291 1 52 GLU HA 1 56 SER H . . 4.670 3.641 3.287 4.016 . 0 0 "[ . 1 . 2]" 1
292 1 53 ASP HA 1 56 SER H . . 4.150 3.856 3.629 4.054 . 0 0 "[ . 1 . 2]" 1
293 1 92 ILE MG 1 93 LYS H . . 4.240 3.791 3.594 3.985 . 0 0 "[ . 1 . 2]" 1
294 1 92 ILE MD 1 93 LYS H . . 5.300 4.213 3.957 4.601 . 0 0 "[ . 1 . 2]" 1
295 1 48 SER H 1 48 SER QB . . 3.650 2.463 2.032 2.886 . 0 0 "[ . 1 . 2]" 1
296 1 47 THR HB 1 48 SER H . . 3.770 2.706 2.407 3.069 . 0 0 "[ . 1 . 2]" 1
297 1 43 TYR HB2 1 48 SER H . . 4.770 3.646 3.244 4.354 . 0 0 "[ . 1 . 2]" 1
298 1 43 TYR HB3 1 48 SER H . . 5.070 3.497 2.905 4.340 . 0 0 "[ . 1 . 2]" 1
299 1 46 ARG H 1 48 SER H . . 4.400 4.126 3.750 4.571 0.171 19 0 "[ . 1 . 2]" 1
300 1 33 TYR HA 1 34 TYR H . . 3.620 2.322 2.198 2.435 . 0 0 "[ . 1 . 2]" 1
301 1 34 TYR H 1 42 GLN HA . . 5.110 3.620 3.461 3.806 . 0 0 "[ . 1 . 2]" 1
302 1 34 TYR H 1 34 TYR HB2 . . 3.890 3.725 3.579 3.823 . 0 0 "[ . 1 . 2]" 1
303 1 33 TYR HB3 1 34 TYR H . . 4.510 3.009 2.651 3.541 . 0 0 "[ . 1 . 2]" 1
304 1 34 TYR H 1 41 TRP HB2 . . 4.610 4.083 3.697 4.297 . 0 0 "[ . 1 . 2]" 1
305 1 12 PRO HA 1 13 THR H . . 3.510 2.574 2.190 3.540 0.030 6 0 "[ . 1 . 2]" 1
306 1 13 THR H 1 13 THR HB . . 4.080 3.088 2.446 3.637 . 0 0 "[ . 1 . 2]" 1
307 1 12 PRO HG2 1 13 THR H . . 5.250 4.520 2.385 5.256 0.006 4 0 "[ . 1 . 2]" 1
308 1 12 PRO HB3 1 13 THR H . . 4.740 3.597 3.141 4.688 . 0 0 "[ . 1 . 2]" 1
309 1 77 ASN H 1 77 ASN HD21 . . 4.480 3.143 2.051 4.420 . 0 0 "[ . 1 . 2]" 1
310 1 76 GLU H 1 77 ASN H . . 2.830 2.900 2.745 2.992 0.162 10 0 "[ . 1 . 2]" 1
311 1 77 ASN H 1 77 ASN HD22 . . 4.980 4.259 3.630 4.736 . 0 0 "[ . 1 . 2]" 1
312 1 77 ASN H 1 77 ASN HB3 . . 3.760 3.573 3.422 3.653 . 0 0 "[ . 1 . 2]" 1
313 1 76 GLU HB2 1 77 ASN H . . 3.720 2.983 2.743 3.236 . 0 0 "[ . 1 . 2]" 1
314 1 83 ARG H 1 84 ASN H . . 5.050 3.040 2.491 3.278 . 0 0 "[ . 1 . 2]" 1
315 1 83 ARG HB2 1 84 ASN H . . 4.610 3.044 2.275 3.634 . 0 0 "[ . 1 . 2]" 1
316 1 83 ARG HG2 1 84 ASN H . . 4.500 4.319 3.715 4.671 0.171 9 0 "[ . 1 . 2]" 1
317 1 35 GLU HA 1 36 GLY H . . 3.280 2.234 2.202 2.323 . 0 0 "[ . 1 . 2]" 1
318 1 35 GLU HG2 1 36 GLY H . . 4.460 3.759 2.559 4.746 0.286 2 0 "[ . 1 . 2]" 1
319 1 35 GLU HB2 1 36 GLY H . . 5.230 4.407 4.145 4.636 . 0 0 "[ . 1 . 2]" 1
320 1 60 LYS HB2 1 61 ASN HD22 . . 5.500 3.846 3.239 5.472 . 0 0 "[ . 1 . 2]" 1
321 1 60 LYS HB3 1 61 ASN HD21 . . 5.500 4.013 2.933 5.640 0.140 17 0 "[ . 1 . 2]" 1
322 1 79 VAL HA 1 92 ILE H . . 4.090 2.604 2.082 2.892 . 0 0 "[ . 1 . 2]" 1
323 1 78 MET HB2 1 92 ILE H . . 4.610 4.902 4.589 5.335 0.725 20 7 "[ ** * * .*- +]" 1
324 1 91 LYS HB3 1 92 ILE H . . 4.080 3.098 2.651 3.564 . 0 0 "[ . 1 . 2]" 1
325 1 92 ILE H 1 92 ILE HG13 . . 4.530 2.654 2.297 3.129 . 0 0 "[ . 1 . 2]" 1
326 1 79 VAL QG 1 92 ILE H . . 4.250 3.025 2.807 3.320 . 0 0 "[ . 1 . 2]" 1
327 1 91 LYS HA 1 92 ILE H . . 3.440 2.319 2.208 2.402 . 0 0 "[ . 1 . 2]" 1
328 1 92 ILE H 1 92 ILE HG12 . . 3.790 2.545 2.224 2.877 . 0 0 "[ . 1 . 2]" 1
329 1 23 ALA MB 1 24 SER H . . 4.510 2.585 2.002 3.021 . 0 0 "[ . 1 . 2]" 1
330 1 74 ASP H 1 79 VAL H . . 4.560 3.408 2.943 3.643 . 0 0 "[ . 1 . 2]" 1
331 1 75 LEU HA 1 79 VAL H . . 3.760 3.821 3.740 3.898 0.138 3 0 "[ . 1 . 2]" 1
332 1 74 ASP HB3 1 79 VAL H . . 4.250 2.778 2.582 3.110 . 0 0 "[ . 1 . 2]" 1
333 1 74 ASP HB2 1 79 VAL H . . 4.730 4.254 3.219 4.705 . 0 0 "[ . 1 . 2]" 1
334 1 78 MET HB2 1 79 VAL H . . 4.610 4.514 4.307 4.682 0.072 16 0 "[ . 1 . 2]" 1
335 1 79 VAL H 1 92 ILE HG13 . . 5.500 4.085 3.601 5.106 . 0 0 "[ . 1 . 2]" 1
336 1 79 VAL H 1 79 VAL QG . . 3.730 2.337 2.158 3.120 . 0 0 "[ . 1 . 2]" 1
337 1 79 VAL H 1 92 ILE HG12 . . 3.820 3.106 2.794 3.601 . 0 0 "[ . 1 . 2]" 1
338 1 62 THR H 1 73 ALA H . . 4.030 3.172 2.419 3.779 . 0 0 "[ . 1 . 2]" 1
339 1 62 THR H 1 74 ASP HA . . 5.250 3.439 3.118 3.789 . 0 0 "[ . 1 . 2]" 1
340 1 61 ASN HB3 1 62 THR H . . 4.540 3.912 2.960 4.401 . 0 0 "[ . 1 . 2]" 1
341 1 62 THR H 1 73 ALA MB . . 3.960 3.301 2.809 3.588 . 0 0 "[ . 1 . 2]" 1
342 1 62 THR H 1 62 THR MG . . 3.750 2.266 1.946 2.651 . 0 0 "[ . 1 . 2]" 1
343 1 60 LYS H 1 61 ASN H . . 3.670 2.633 2.232 3.662 . 0 0 "[ . 1 . 2]" 1
344 1 59 LYS HB3 1 61 ASN H . . 3.880 3.445 2.771 3.904 0.024 18 0 "[ . 1 . 2]" 1
345 1 60 LYS HB2 1 61 ASN H . . 3.890 2.887 2.452 4.022 0.132 8 0 "[ . 1 . 2]" 1
346 1 102 LYS HB2 1 103 GLY H . . 5.210 3.603 2.802 4.315 . 0 0 "[ . 1 . 2]" 1
347 1 25 ARG H 1 26 GLY H . . 4.520 2.816 2.179 3.146 . 0 0 "[ . 1 . 2]" 1
348 1 25 ARG HB2 1 26 GLY H . . 5.000 3.265 2.691 4.194 . 0 0 "[ . 1 . 2]" 1
349 1 25 ARG HB3 1 26 GLY H . . 4.930 3.774 2.339 4.172 . 0 0 "[ . 1 . 2]" 1
350 1 28 GLY H 1 29 GLU H . . 3.220 3.219 2.589 3.474 0.254 9 0 "[ . 1 . 2]" 1
351 1 27 ASN HB2 1 28 GLY H . . 5.250 3.280 2.480 4.294 . 0 0 "[ . 1 . 2]" 1
352 1 57 LYS HB2 1 58 GLY H . . 5.500 2.929 2.757 3.177 . 0 0 "[ . 1 . 2]" 1
353 1 56 SER HA 1 58 GLY H . . 4.360 4.121 3.767 4.327 . 0 0 "[ . 1 . 2]" 1
354 1 57 LYS HB3 1 58 GLY H . . 4.830 3.616 3.270 3.844 . 0 0 "[ . 1 . 2]" 1
355 1 58 GLY H 1 59 LYS HB2 . . 4.510 3.860 3.724 4.115 . 0 0 "[ . 1 . 2]" 1
356 1 38 ASN HB3 1 39 GLY H . . 5.500 2.874 2.298 3.317 . 0 0 "[ . 1 . 2]" 1
357 1 38 ASN HA 1 39 GLY H . . 3.610 3.622 3.533 3.654 0.044 20 0 "[ . 1 . 2]" 1
358 1 67 ALA H 1 68 GLY H . . 4.650 4.211 4.192 4.227 . 0 0 "[ . 1 . 2]" 1
359 1 66 ILE MG 1 67 ALA H . . 4.610 1.755 1.727 1.818 . 0 0 "[ . 1 . 2]" 1
360 1 29 GLU H 1 96 ILE MG . . 4.740 3.392 2.372 3.771 . 0 0 "[ . 1 . 2]" 1
361 1 70 LEU H 1 70 LEU HB3 . . 3.330 3.169 2.520 3.461 0.131 19 0 "[ . 1 . 2]" 1
362 1 21 LYS HA 1 22 ALA H . . 3.580 3.552 3.380 3.639 0.059 2 0 "[ . 1 . 2]" 1
363 1 25 ARG H 1 25 ARG HG3 . . 4.080 2.995 2.010 3.821 . 0 0 "[ . 1 . 2]" 1
364 1 29 GLU H 1 29 GLU HG3 . . 4.150 4.309 3.602 4.857 0.707 1 7 "[+ - ** 1 *** 2]" 1
365 1 36 GLY HA2 1 41 TRP HE1 . . 5.500 5.114 4.278 5.524 0.024 10 0 "[ . 1 . 2]" 1
366 1 9 LEU HB2 1 10 ASP H . . 4.650 4.179 2.178 4.662 0.012 10 0 "[ . 1 . 2]" 1
367 1 25 ARG HG3 1 26 GLY H . . 5.210 4.364 2.353 5.191 . 0 0 "[ . 1 . 2]" 1
368 1 105 SER HB3 1 106 GLY H . . 5.500 3.591 2.294 4.578 . 0 0 "[ . 1 . 2]" 1
369 1 34 TYR HA 1 93 LYS H . . 3.860 3.653 3.513 3.757 . 0 0 "[ . 1 . 2]" 1
370 1 35 GLU H 1 91 LYS H . . 5.090 3.363 3.130 3.711 . 0 0 "[ . 1 . 2]" 1
371 1 9 LEU H 1 9 LEU HB2 . . 3.240 2.980 2.239 3.661 0.421 6 0 "[ . 1 . 2]" 1
372 1 31 ALA H 1 95 ASP H . . 3.620 3.221 2.913 3.552 . 0 0 "[ . 1 . 2]" 1
373 1 31 ALA MB 1 97 ILE H . . 4.490 3.776 2.970 4.602 0.112 12 0 "[ . 1 . 2]" 1
374 1 33 TYR H 1 43 TYR QE . . 3.930 3.614 2.774 3.952 0.022 12 0 "[ . 1 . 2]" 1
375 1 74 ASP H 1 92 ILE MD . . 4.440 3.651 2.753 3.911 . 0 0 "[ . 1 . 2]" 1
376 1 77 ASN H 1 78 MET HA . . 4.420 4.252 4.213 4.306 . 0 0 "[ . 1 . 2]" 1
377 1 76 GLU HB3 1 77 ASN H . . 3.650 3.037 2.811 3.326 . 0 0 "[ . 1 . 2]" 1
378 1 93 LYS HG3 1 94 ARG H . . 3.910 3.608 3.304 3.936 0.026 17 0 "[ . 1 . 2]" 1
379 1 50 GLU H 1 50 GLU HG2 . . 3.760 2.588 2.399 2.858 . 0 0 "[ . 1 . 2]" 1
380 1 49 ARG H 1 50 GLU H . . 3.450 2.840 2.741 2.925 . 0 0 "[ . 1 . 2]" 1
381 1 89 ARG H 1 89 ARG HG2 . . 3.510 2.957 2.536 3.923 0.413 8 0 "[ . 1 . 2]" 1
382 1 15 LEU H 1 15 LEU HG . . 3.250 2.521 1.947 3.450 0.200 8 0 "[ . 1 . 2]" 1
383 1 16 SER QB 1 18 GLU H . . 3.910 2.067 1.971 2.631 . 0 0 "[ . 1 . 2]" 1
384 1 24 SER H 1 25 ARG H . . 2.970 2.718 2.227 2.941 . 0 0 "[ . 1 . 2]" 1
385 1 45 GLU H 1 45 GLU HB2 . . 3.620 3.621 3.295 3.813 0.193 4 0 "[ . 1 . 2]" 1
386 1 46 ARG H 1 47 THR H . . 3.560 2.629 2.369 2.829 . 0 0 "[ . 1 . 2]" 1
387 1 50 GLU HA 1 54 ALA H . . 3.840 3.699 3.354 3.879 0.039 9 0 "[ . 1 . 2]" 1
388 1 51 LEU HA 1 55 PHE H . . 3.770 3.698 3.455 3.794 0.024 6 0 "[ . 1 . 2]" 1
389 1 80 GLN H 1 80 GLN QG . . 3.960 2.477 2.049 3.841 . 0 0 "[ . 1 . 2]" 1
390 1 56 SER H 1 56 SER HB2 . . 3.270 2.318 2.033 2.682 . 0 0 "[ . 1 . 2]" 1
391 1 15 LEU HB2 1 19 GLU H . . 5.170 5.152 4.475 5.988 0.818 4 5 "[ +.* *- . *2]" 1
392 1 21 LYS H 1 21 LYS HD3 . . 3.930 3.672 2.238 4.269 0.339 1 0 "[ . 1 . 2]" 1
393 1 91 LYS H 1 92 ILE MG . . 5.140 4.505 4.247 4.761 . 0 0 "[ . 1 . 2]" 1
394 1 90 ARG HB3 1 91 LYS H . . 3.230 2.708 2.370 2.981 . 0 0 "[ . 1 . 2]" 1
395 1 90 ARG HA 1 91 LYS H . . 3.390 2.447 2.339 2.579 . 0 0 "[ . 1 . 2]" 1
396 1 36 GLY H 1 39 GLY H . . 4.360 3.518 3.127 4.251 . 0 0 "[ . 1 . 2]" 1
397 1 38 ASN H 1 39 GLY H . . 4.600 2.634 2.166 2.859 . 0 0 "[ . 1 . 2]" 1
398 1 35 GLU H 1 92 ILE HA . . 3.590 3.482 3.333 3.629 0.039 12 0 "[ . 1 . 2]" 1
399 1 35 GLU H 1 92 ILE MG . . 4.780 3.665 3.065 3.855 . 0 0 "[ . 1 . 2]" 1
400 1 34 TYR H 1 41 TRP H . . 2.940 2.703 2.248 2.979 0.039 8 0 "[ . 1 . 2]" 1
401 1 48 SER H 1 48 SER HG . . 4.670 2.760 2.026 3.440 . 0 0 "[ . 1 . 2]" 1
402 1 46 ARG H 1 47 THR HB . . 4.470 4.456 4.252 4.501 0.031 2 0 "[ . 1 . 2]" 1
403 1 42 GLN H 1 42 GLN HG3 . . 4.200 4.226 4.111 4.661 0.461 8 0 "[ . 1 . 2]" 1
404 1 40 TRP HA 1 41 TRP H . . 3.640 2.252 2.205 2.372 . 0 0 "[ . 1 . 2]" 1
405 1 36 GLY H 1 40 TRP HA . . 4.210 2.526 2.020 3.121 . 0 0 "[ . 1 . 2]" 1
406 1 61 ASN H 1 75 LEU QD . . 4.950 4.106 3.086 4.866 . 0 0 "[ . 1 . 2]" 1
407 1 37 ARG H 1 38 ASN H . . 3.070 2.725 2.320 3.019 . 0 0 "[ . 1 . 2]" 1
408 1 32 TRP HE1 1 94 ARG QH2 . . 5.500 6.391 5.533 7.202 1.702 19 18 "[*-****** ** ******+*]" 1
409 1 37 ARG HB3 1 39 GLY H . . 5.500 4.996 4.639 5.626 0.126 18 0 "[ . 1 . 2]" 1
410 1 45 GLU HG2 1 46 ARG H . . 4.900 3.841 3.299 4.721 . 0 0 "[ . 1 . 2]" 1
411 1 69 PHE QD 1 70 LEU H . . 5.210 3.706 3.064 4.024 . 0 0 "[ . 1 . 2]" 1
412 1 57 LYS H 1 59 LYS H . . 4.520 4.237 4.072 4.402 . 0 0 "[ . 1 . 2]" 1
413 1 29 GLU H 1 30 TYR H . . 4.080 4.220 3.586 4.508 0.428 14 0 "[ . 1 . 2]" 1
414 1 51 LEU HG 1 52 GLU H . . 5.140 4.546 4.181 5.199 0.059 20 0 "[ . 1 . 2]" 1
415 1 48 SER H 1 50 GLU H . . 5.500 4.004 3.805 4.329 . 0 0 "[ . 1 . 2]" 1
416 1 50 GLU H 1 52 GLU H . . 5.470 4.069 3.725 4.507 . 0 0 "[ . 1 . 2]" 1
417 1 50 GLU H 1 51 LEU HG . . 5.500 4.262 3.648 5.674 0.174 19 0 "[ . 1 . 2]" 1
418 1 72 VAL H 1 73 ALA H . . 4.900 4.204 4.085 4.376 . 0 0 "[ . 1 . 2]" 1
419 1 47 THR H 1 47 THR HB . . 3.680 2.328 2.116 2.467 . 0 0 "[ . 1 . 2]" 1
420 1 43 TYR HB2 1 47 THR HB . . 4.210 3.806 2.733 4.747 0.537 19 1 "[ . 1 . +2]" 1
421 1 43 TYR HB3 1 47 THR HB . . 4.700 2.507 2.016 3.303 . 0 0 "[ . 1 . 2]" 1
422 1 47 THR HA 1 50 GLU HG3 . . 4.990 3.944 3.491 5.061 0.071 19 0 "[ . 1 . 2]" 1
423 1 47 THR HA 1 50 GLU QB . . 4.390 3.398 3.106 3.883 . 0 0 "[ . 1 . 2]" 1
424 1 46 ARG QB 1 47 THR HA . . 4.450 3.926 3.663 4.376 . 0 0 "[ . 1 . 2]" 1
425 1 17 PRO HA 1 20 LEU QB . . 4.470 3.102 2.774 3.372 . 0 0 "[ . 1 . 2]" 1
426 1 17 PRO HA 1 20 LEU QD . . 4.600 3.550 3.120 4.055 . 0 0 "[ . 1 . 2]" 1
427 1 56 SER HB2 1 57 LYS H . . 4.760 3.432 2.758 3.763 . 0 0 "[ . 1 . 2]" 1
428 1 32 TRP HD1 1 48 SER QB . . 4.140 2.337 1.994 2.725 . 0 0 "[ . 1 . 2]" 1
429 1 48 SER QB 1 51 LEU QD . . 4.420 3.107 2.726 3.899 . 0 0 "[ . 1 . 2]" 1
430 1 48 SER QB 1 49 ARG H . . 4.640 3.172 2.388 3.520 . 0 0 "[ . 1 . 2]" 1
431 1 16 SER QB 1 18 GLU HB2 . . 5.150 2.944 2.727 4.581 . 0 0 "[ . 1 . 2]" 1
432 1 48 SER QB 1 51 LEU HB2 . . 4.900 3.458 3.141 3.640 . 0 0 "[ . 1 . 2]" 1
433 1 32 TRP HB2 1 48 SER QB . . 5.120 2.498 1.929 3.355 . 0 0 "[ . 1 . 2]" 1
434 1 48 SER QB 1 51 LEU HG . . 5.500 4.541 3.832 5.290 . 0 0 "[ . 1 . 2]" 1
435 1 48 SER QB 1 51 LEU HB3 . . 5.290 4.830 4.378 5.097 . 0 0 "[ . 1 . 2]" 1
436 1 13 THR HA 1 14 LEU HB2 . . 5.400 4.535 3.783 5.564 0.164 20 0 "[ . 1 . 2]" 1
437 1 72 VAL HA 1 72 VAL QG . . 3.260 2.192 2.060 2.458 . 0 0 "[ . 1 . 2]" 1
438 1 63 GLU HG2 1 72 VAL HA . . 5.340 4.311 3.728 5.396 0.056 19 0 "[ . 1 . 2]" 1
439 1 54 ALA MB 1 55 PHE HA . . 4.860 3.709 3.629 3.752 . 0 0 "[ . 1 . 2]" 1
440 1 55 PHE HA 1 75 LEU QD . . 2.950 2.269 1.892 2.942 . 0 0 "[ . 1 . 2]" 1
441 1 66 ILE HA 1 67 ALA MB . . 4.430 4.288 4.200 4.468 0.038 12 0 "[ . 1 . 2]" 1
442 1 34 TYR QD 1 43 TYR HA . . 5.500 3.725 3.413 4.114 . 0 0 "[ . 1 . 2]" 1
443 1 43 TYR HA 1 44 ASP H . . 3.580 2.921 2.513 3.642 0.062 18 0 "[ . 1 . 2]" 1
444 1 97 ILE HA 1 98 ASP H . . 3.390 2.588 2.231 3.289 . 0 0 "[ . 1 . 2]" 1
445 1 31 ALA MB 1 97 ILE HA . . 4.440 4.344 3.645 4.594 0.154 20 0 "[ . 1 . 2]" 1
446 1 97 ILE HA 1 97 ILE MD . . 3.850 2.277 1.916 3.853 0.003 2 0 "[ . 1 . 2]" 1
447 1 54 ALA MB 1 62 THR HA . . 5.450 3.739 3.338 4.406 . 0 0 "[ . 1 . 2]" 1
448 1 96 ILE HA 1 97 ILE H . . 3.350 2.237 2.184 2.346 . 0 0 "[ . 1 . 2]" 1
449 1 96 ILE HA 1 96 ILE MD . . 3.880 3.225 2.042 4.117 0.237 2 0 "[ . 1 . 2]" 1
450 1 45 GLU HA 1 48 SER H . . 4.510 3.920 3.760 4.033 . 0 0 "[ . 1 . 2]" 1
451 1 45 GLU HA 1 45 GLU HG2 . . 4.200 3.412 2.716 3.655 . 0 0 "[ . 1 . 2]" 1
452 1 79 VAL HA 1 92 ILE HG13 . . 5.020 3.661 3.215 4.590 . 0 0 "[ . 1 . 2]" 1
453 1 79 VAL HA 1 92 ILE HG12 . . 3.930 2.231 1.983 2.947 . 0 0 "[ . 1 . 2]" 1
454 1 79 VAL HA 1 91 LYS HA . . 3.720 2.333 2.124 2.514 . 0 0 "[ . 1 . 2]" 1
455 1 79 VAL HA 1 80 GLN QG . . 4.840 3.851 3.425 4.678 . 0 0 "[ . 1 . 2]" 1
456 1 79 VAL HA 1 91 LYS HG2 . . 5.160 3.855 3.319 4.573 . 0 0 "[ . 1 . 2]" 1
457 1 46 ARG HA 1 49 ARG HG3 . . 4.160 2.782 2.045 3.254 . 0 0 "[ . 1 . 2]" 1
458 1 49 ARG HA 1 53 ASP H . . 5.210 4.226 3.941 4.501 . 0 0 "[ . 1 . 2]" 1
459 1 49 ARG HA 1 49 ARG HD3 . . 5.500 3.463 2.784 4.329 . 0 0 "[ . 1 . 2]" 1
460 1 50 GLU HA 1 53 ASP H . . 4.640 3.401 3.130 3.669 . 0 0 "[ . 1 . 2]" 1
461 1 50 GLU HA 1 53 ASP HB2 . . 4.300 2.490 1.987 3.516 . 0 0 "[ . 1 . 2]" 1
462 1 50 GLU HA 1 53 ASP HB3 . . 4.180 3.338 2.251 3.987 . 0 0 "[ . 1 . 2]" 1
463 1 50 GLU HA 1 50 GLU HG2 . . 3.820 2.844 2.527 3.803 . 0 0 "[ . 1 . 2]" 1
464 1 23 ALA MB 1 24 SER HA . . 5.210 3.759 3.621 3.923 . 0 0 "[ . 1 . 2]" 1
465 1 76 GLU HA 1 76 GLU HG2 . . 3.820 2.067 1.960 2.233 . 0 0 "[ . 1 . 2]" 1
466 1 99 ILE HA 1 100 PRO HG3 . . 5.180 4.221 4.176 4.325 . 0 0 "[ . 1 . 2]" 1
467 1 99 ILE HA 1 100 PRO HG2 . . 4.830 4.528 4.345 4.741 . 0 0 "[ . 1 . 2]" 1
468 1 99 ILE HA 1 99 ILE MD . . 4.620 3.269 1.943 4.073 . 0 0 "[ . 1 . 2]" 1
469 1 18 GLU HA 1 18 GLU HG2 . . 3.770 2.709 2.006 3.653 . 0 0 "[ . 1 . 2]" 1
470 1 83 ARG HA 1 83 ARG HG2 . . 3.440 2.587 2.088 3.690 0.250 18 0 "[ . 1 . 2]" 1
471 1 72 VAL QG 1 83 ARG HA . . 4.080 2.198 1.762 2.959 . 0 0 "[ . 1 . 2]" 1
472 1 32 TRP HE1 1 52 GLU HA . . 3.850 2.579 1.938 3.361 . 0 0 "[ . 1 . 2]" 1
473 1 37 ARG HA 1 37 ARG HG2 . . 4.060 2.647 1.991 3.711 . 0 0 "[ . 1 . 2]" 1
474 1 60 LYS HA 1 76 GLU H . . 4.150 3.625 3.168 4.046 . 0 0 "[ . 1 . 2]" 1
475 1 60 LYS HA 1 76 GLU HG2 . . 4.170 3.991 3.241 4.502 0.332 10 0 "[ . 1 . 2]" 1
476 1 19 GLU HA 1 19 GLU HG3 . . 3.610 2.620 1.967 3.613 0.003 5 0 "[ . 1 . 2]" 1
477 1 51 LEU HA 1 51 LEU HG . . 3.810 2.986 2.601 3.292 . 0 0 "[ . 1 . 2]" 1
478 1 51 LEU HA 1 51 LEU QD . . 3.550 2.100 1.935 2.394 . 0 0 "[ . 1 . 2]" 1
479 1 60 LYS HA 1 60 LYS HG3 . . 3.570 2.698 2.093 3.916 0.346 17 0 "[ . 1 . 2]" 1
480 1 32 TRP HA 1 95 ASP H . . 4.740 3.105 2.715 3.555 . 0 0 "[ . 1 . 2]" 1
481 1 32 TRP HA 1 94 ARG HA . . 4.080 2.279 2.092 2.465 . 0 0 "[ . 1 . 2]" 1
482 1 32 TRP HA 1 51 LEU QD . . 5.500 4.243 3.917 4.950 . 0 0 "[ . 1 . 2]" 1
483 1 81 TYR QD 1 86 HIS HA . . 4.540 3.361 2.839 3.656 . 0 0 "[ . 1 . 2]" 1
484 1 25 ARG HA 1 25 ARG HG3 . . 3.850 3.032 2.027 3.765 . 0 0 "[ . 1 . 2]" 1
485 1 25 ARG HA 1 25 ARG HD2 . . 4.890 4.397 3.172 5.555 0.665 6 1 "[ .+ 1 . 2]" 1
486 1 57 LYS HA 1 57 LYS HG2 . . 3.460 2.350 2.082 2.942 . 0 0 "[ . 1 . 2]" 1
487 1 59 LYS HA 1 61 ASN H . . 4.830 3.910 3.282 4.442 . 0 0 "[ . 1 . 2]" 1
488 1 20 LEU HA 1 20 LEU QD . . 3.780 2.409 2.140 2.701 . 0 0 "[ . 1 . 2]" 1
489 1 35 GLU HA 1 41 TRP H . . 4.730 3.932 3.433 4.335 . 0 0 "[ . 1 . 2]" 1
490 1 33 TYR HA 1 42 GLN HG2 . . 5.040 3.879 3.482 4.685 . 0 0 "[ . 1 . 2]" 1
491 1 33 TYR HA 1 43 TYR H . . 4.250 3.631 3.065 4.172 . 0 0 "[ . 1 . 2]" 1
492 1 33 TYR HA 1 42 GLN HA . . 3.800 2.385 2.127 2.538 . 0 0 "[ . 1 . 2]" 1
493 1 33 TYR HA 1 42 GLN HG3 . . 4.870 3.837 3.452 4.485 . 0 0 "[ . 1 . 2]" 1
494 1 81 TYR HA 1 82 ARG H . . 3.470 2.361 2.274 2.421 . 0 0 "[ . 1 . 2]" 1
495 1 29 GLU HA 1 30 TYR H . . 3.460 2.776 2.222 3.623 0.163 6 0 "[ . 1 . 2]" 1
496 1 29 GLU HA 1 30 TYR QD . . 5.030 3.993 3.092 4.803 . 0 0 "[ . 1 . 2]" 1
497 1 29 GLU HA 1 96 ILE MG . . 5.320 3.946 2.877 4.522 . 0 0 "[ . 1 . 2]" 1
498 1 33 TYR QE 1 42 GLN HA . . 4.360 4.085 3.824 4.407 0.047 7 0 "[ . 1 . 2]" 1
499 1 33 TYR HB2 1 42 GLN HA . . 5.230 4.963 4.608 5.333 0.103 9 0 "[ . 1 . 2]" 1
500 1 42 GLN HA 1 42 GLN HG2 . . 3.600 2.387 2.120 2.801 . 0 0 "[ . 1 . 2]" 1
501 1 72 VAL H 1 82 ARG HA . . 4.550 3.192 2.859 3.447 . 0 0 "[ . 1 . 2]" 1
502 1 81 TYR HA 1 89 ARG HA . . 3.890 1.965 1.876 2.076 . 0 0 "[ . 1 . 2]" 1
503 1 71 TYR QD 1 81 TYR HA . . 4.660 3.846 3.108 4.297 . 0 0 "[ . 1 . 2]" 1
504 1 81 TYR QD 1 89 ARG HA . . 5.500 4.812 4.266 5.207 . 0 0 "[ . 1 . 2]" 1
505 1 81 TYR HB2 1 89 ARG HA . . 4.100 4.128 3.692 4.475 0.375 1 0 "[ . 1 . 2]" 1
506 1 89 ARG HA 1 89 ARG HG2 . . 4.090 3.821 3.562 4.255 0.165 8 0 "[ . 1 . 2]" 1
507 1 79 VAL QG 1 89 ARG HA . . 5.500 4.926 4.101 5.271 . 0 0 "[ . 1 . 2]" 1
508 1 89 ARG HA 1 90 ARG HB2 . . 5.030 4.227 3.940 4.636 . 0 0 "[ . 1 . 2]" 1
509 1 78 MET QG 1 93 LYS HA . . 4.870 3.681 2.549 4.585 . 0 0 "[ . 1 . 2]" 1
510 1 88 ARG HA 1 88 ARG HG2 . . 3.910 2.631 2.362 3.583 . 0 0 "[ . 1 . 2]" 1
511 1 63 GLU HA 1 64 MET H . . 3.340 2.280 2.202 2.533 . 0 0 "[ . 1 . 2]" 1
512 1 63 GLU HA 1 72 VAL HA . . 3.680 2.110 1.861 2.627 . 0 0 "[ . 1 . 2]" 1
513 1 63 GLU HA 1 63 GLU HG2 . . 4.180 3.120 2.399 3.781 . 0 0 "[ . 1 . 2]" 1
514 1 63 GLU HA 1 63 GLU HG3 . . 3.940 2.548 2.296 3.633 . 0 0 "[ . 1 . 2]" 1
515 1 63 GLU HA 1 72 VAL QG . . 4.500 2.537 2.279 2.770 . 0 0 "[ . 1 . 2]" 1
516 1 63 GLU HA 1 72 VAL HB . . 4.580 4.321 3.284 4.778 0.198 18 0 "[ . 1 . 2]" 1
517 1 78 MET HA 1 79 VAL H . . 3.480 2.788 2.644 2.937 . 0 0 "[ . 1 . 2]" 1
518 1 78 MET HA 1 92 ILE MD . . 3.840 2.747 2.400 3.098 . 0 0 "[ . 1 . 2]" 1
519 1 78 MET HA 1 78 MET QG . . 3.520 2.255 2.017 2.641 . 0 0 "[ . 1 . 2]" 1
520 1 78 MET HA 1 79 VAL QG . . 4.080 3.819 3.698 4.329 0.249 18 0 "[ . 1 . 2]" 1
521 1 54 ALA HA 1 59 LYS QD . . 3.750 2.358 1.999 3.073 . 0 0 "[ . 1 . 2]" 1
522 1 54 ALA HA 1 57 LYS HB2 . . 5.070 2.472 1.983 2.736 . 0 0 "[ . 1 . 2]" 1
523 1 54 ALA HA 1 59 LYS HB3 . . 5.040 3.840 3.470 4.660 . 0 0 "[ . 1 . 2]" 1
524 1 54 ALA HA 1 59 LYS HB2 . . 3.780 2.260 1.987 2.992 . 0 0 "[ . 1 . 2]" 1
525 1 34 TYR HA 1 35 GLU HB3 . . 5.310 4.925 4.580 5.266 . 0 0 "[ . 1 . 2]" 1
526 1 63 GLU HA 1 73 ALA H . . 4.280 3.173 2.567 3.901 . 0 0 "[ . 1 . 2]" 1
527 1 64 MET HB2 1 65 LEU HA . . 4.840 4.704 4.427 4.892 0.052 16 0 "[ . 1 . 2]" 1
528 1 65 LEU HA 1 65 LEU MD1 . . 3.770 2.153 1.895 3.677 . 0 0 "[ . 1 . 2]" 1
529 1 79 VAL QG 1 80 GLN HA . . 4.540 3.569 3.086 3.834 . 0 0 "[ . 1 . 2]" 1
530 1 80 GLN HA 1 92 ILE MD . . 4.500 4.316 3.665 4.519 0.019 1 0 "[ . 1 . 2]" 1
531 1 33 TYR H 1 94 ARG HA . . 5.040 3.371 3.069 3.632 . 0 0 "[ . 1 . 2]" 1
532 1 94 ARG HA 1 95 ASP H . . 3.490 2.231 2.225 2.273 . 0 0 "[ . 1 . 2]" 1
533 1 33 TYR QD 1 94 ARG HA . . 4.750 3.948 3.542 4.186 . 0 0 "[ . 1 . 2]" 1
534 1 66 ILE MG 1 67 ALA HA . . 5.360 3.936 3.862 4.026 . 0 0 "[ . 1 . 2]" 1
535 1 74 ASP HA 1 75 LEU H . . 3.370 2.271 2.252 2.305 . 0 0 "[ . 1 . 2]" 1
536 1 61 ASN HB2 1 74 ASP HA . . 4.400 3.282 2.094 4.397 . 0 0 "[ . 1 . 2]" 1
537 1 61 ASN HA 1 62 THR H . . 3.270 2.363 2.252 2.585 . 0 0 "[ . 1 . 2]" 1
538 1 61 ASN HA 1 75 LEU HB2 . . 4.720 4.380 3.972 4.766 0.046 11 0 "[ . 1 . 2]" 1
539 1 61 ASN HA 1 75 LEU HG . . 4.240 3.892 3.199 4.489 0.249 7 0 "[ . 1 . 2]" 1
540 1 61 ASN HA 1 72 VAL QG . . 4.790 4.494 3.963 4.790 . 0 0 "[ . 1 . 2]" 1
541 1 95 ASP HA 1 96 ILE H . . 3.440 2.581 2.252 2.807 . 0 0 "[ . 1 . 2]" 1
542 1 61 ASN HA 1 75 LEU QD . . 4.260 3.215 1.734 4.127 . 0 0 "[ . 1 . 2]" 1
543 1 61 ASN HA 1 74 ASP HA . . 4.070 2.173 2.013 2.356 . 0 0 "[ . 1 . 2]" 1
544 1 31 ALA HA 1 32 TRP H . . 3.590 2.331 2.187 2.658 . 0 0 "[ . 1 . 2]" 1
545 1 30 TYR QD 1 31 ALA HA . . 4.880 3.317 2.511 4.826 . 0 0 "[ . 1 . 2]" 1
546 1 31 ALA HA 1 32 TRP HB2 . . 5.500 4.487 4.364 4.579 . 0 0 "[ . 1 . 2]" 1
547 1 99 ILE HA 1 100 PRO HD2 . . 3.410 2.550 2.231 2.848 . 0 0 "[ . 1 . 2]" 1
548 1 99 ILE HB 1 100 PRO HD2 . . 4.070 3.278 1.959 4.182 0.112 16 0 "[ . 1 . 2]" 1
549 1 99 ILE MG 1 100 PRO HD2 . . 4.770 2.657 1.784 4.070 . 0 0 "[ . 1 . 2]" 1
550 1 11 LYS HB2 1 12 PRO HD2 . . 4.540 4.310 2.320 5.110 0.570 7 4 "[ **. + 1 - . 2]" 1
551 1 11 LYS HA 1 12 PRO HD2 . . 3.650 2.414 2.177 2.944 . 0 0 "[ . 1 . 2]" 1
552 1 11 LYS HA 1 12 PRO HD3 . . 3.680 2.167 1.910 2.699 . 0 0 "[ . 1 . 2]" 1
553 1 99 ILE HA 1 100 PRO HD3 . . 3.480 1.958 1.911 2.074 . 0 0 "[ . 1 . 2]" 1
554 1 99 ILE MG 1 100 PRO HD3 . . 4.340 3.269 2.809 4.059 . 0 0 "[ . 1 . 2]" 1
555 1 17 PRO HD2 1 18 GLU H . . 4.970 2.445 2.318 2.535 . 0 0 "[ . 1 . 2]" 1
556 1 58 GLY HA2 1 59 LYS H . . 3.630 3.446 3.409 3.501 . 0 0 "[ . 1 . 2]" 1
557 1 65 LEU MD1 1 68 GLY HA2 . . 4.680 3.217 2.873 4.829 0.149 18 0 "[ . 1 . 2]" 1
558 1 93 LYS HD2 1 95 ASP HB2 . . 4.470 4.450 4.163 4.909 0.439 12 0 "[ . 1 . 2]" 1
559 1 95 ASP HB2 1 96 ILE H . . 5.160 3.975 3.690 4.559 . 0 0 "[ . 1 . 2]" 1
560 1 93 LYS QE 1 95 ASP HB2 . . 4.670 2.590 1.931 3.133 . 0 0 "[ . 1 . 2]" 1
561 1 93 LYS HG3 1 95 ASP HB2 . . 4.650 3.531 3.143 3.997 . 0 0 "[ . 1 . 2]" 1
562 1 90 ARG HA 1 90 ARG QD . . 3.900 3.423 1.970 3.753 . 0 0 "[ . 1 . 2]" 1
563 1 79 VAL QG 1 89 ARG HD3 . . 4.200 3.466 2.389 4.127 . 0 0 "[ . 1 . 2]" 1
564 1 83 ARG HB3 1 83 ARG HD3 . . 3.210 2.687 2.010 3.942 0.732 18 1 "[ . 1 . + 2]" 1
565 1 83 ARG HA 1 83 ARG HD3 . . 4.240 4.119 3.291 4.642 0.402 5 0 "[ . 1 . 2]" 1
566 1 70 LEU QD 1 83 ARG HD2 . . 3.730 2.676 1.689 3.586 . 0 0 "[ . 1 . 2]" 1
567 1 72 VAL QG 1 83 ARG HD2 . . 3.760 3.153 1.943 4.193 0.433 10 0 "[ . 1 . 2]" 1
568 1 34 TYR QD 1 90 ARG QD . . 3.710 3.257 2.819 3.646 . 0 0 "[ . 1 . 2]" 1
569 1 89 ARG HB2 1 89 ARG HD2 . . 4.040 3.064 2.175 3.552 . 0 0 "[ . 1 . 2]" 1
570 1 79 VAL QG 1 89 ARG HD2 . . 4.230 3.331 2.132 4.209 . 0 0 "[ . 1 . 2]" 1
571 1 37 ARG HA 1 37 ARG HD2 . . 3.810 3.451 2.174 4.538 0.728 15 3 "[ . 1- + * 2]" 1
572 1 82 ARG HB2 1 82 ARG HD2 . . 4.170 3.182 2.340 4.110 . 0 0 "[ . 1 . 2]" 1
573 1 71 TYR QE 1 82 ARG HD3 . . 4.670 4.003 2.811 5.004 0.334 12 0 "[ . 1 . 2]" 1
574 1 82 ARG HA 1 82 ARG HD3 . . 4.640 4.103 2.946 4.622 . 0 0 "[ . 1 . 2]" 1
575 1 82 ARG HB3 1 82 ARG HD2 . . 4.070 2.699 2.037 4.113 0.043 4 0 "[ . 1 . 2]" 1
576 1 65 LEU HB2 1 66 ILE H . . 5.230 4.437 4.281 4.564 . 0 0 "[ . 1 . 2]" 1
577 1 70 LEU HB2 1 71 TYR H . . 5.250 4.581 4.469 4.670 . 0 0 "[ . 1 . 2]" 1
578 1 70 LEU H 1 70 LEU HB2 . . 4.080 2.127 1.998 2.408 . 0 0 "[ . 1 . 2]" 1
579 1 70 LEU HB3 1 71 TYR H . . 5.500 3.903 3.603 4.376 . 0 0 "[ . 1 . 2]" 1
580 1 32 TRP HZ3 1 92 ILE HB . . 5.500 4.004 3.586 4.447 . 0 0 "[ . 1 . 2]" 1
581 1 15 LEU H 1 15 LEU HB2 . . 4.130 3.475 2.436 4.037 . 0 0 "[ . 1 . 2]" 1
582 1 69 PHE HB3 1 70 LEU H . . 4.270 3.900 3.621 4.169 . 0 0 "[ . 1 . 2]" 1
583 1 64 MET H 1 71 TYR HB2 . . 4.820 3.913 3.522 4.184 . 0 0 "[ . 1 . 2]" 1
584 1 55 PHE QD 1 94 ARG HD2 . . 5.070 3.757 2.956 4.663 . 0 0 "[ . 1 . 2]" 1
585 1 74 ASP H 1 74 ASP HB3 . . 4.080 2.632 2.311 3.220 . 0 0 "[ . 1 . 2]" 1
586 1 91 LYS HE3 1 91 LYS HG3 . . 3.620 2.900 2.097 3.591 . 0 0 "[ . 1 . 2]" 1
587 1 61 ASN HB3 1 61 ASN HD22 . . 4.120 3.522 3.445 4.152 0.032 7 0 "[ . 1 . 2]" 1
588 1 61 ASN HB3 1 74 ASP HA . . 4.410 2.696 1.934 3.544 . 0 0 "[ . 1 . 2]" 1
589 1 61 ASN HB3 1 72 VAL QG . . 4.280 3.840 2.615 4.243 . 0 0 "[ . 1 . 2]" 1
590 1 53 ASP H 1 53 ASP HB2 . . 3.760 2.151 2.018 2.443 . 0 0 "[ . 1 . 2]" 1
591 1 74 ASP H 1 74 ASP HB2 . . 4.100 2.607 2.167 3.042 . 0 0 "[ . 1 . 2]" 1
592 1 61 ASN HB2 1 62 THR H . . 3.750 3.133 2.391 4.219 0.469 20 0 "[ . 1 . 2]" 1
593 1 61 ASN H 1 61 ASN HB2 . . 4.140 3.594 2.692 3.987 . 0 0 "[ . 1 . 2]" 1
594 1 61 ASN HB2 1 72 VAL QG . . 4.080 3.126 2.522 3.890 . 0 0 "[ . 1 . 2]" 1
595 1 60 LYS HA 1 75 LEU HB3 . . 5.180 4.704 4.047 5.255 0.075 4 0 "[ . 1 . 2]" 1
596 1 60 LYS HA 1 75 LEU HB2 . . 4.810 3.063 2.465 3.553 . 0 0 "[ . 1 . 2]" 1
597 1 33 TYR HB3 1 93 LYS QE . . 4.590 3.228 2.815 4.156 . 0 0 "[ . 1 . 2]" 1
598 1 40 TRP HE3 1 93 LYS QE . . 5.500 4.135 3.742 4.914 . 0 0 "[ . 1 . 2]" 1
599 1 9 LEU H 1 10 ASP HB3 . . 5.480 4.945 3.747 5.500 0.020 8 0 "[ . 1 . 2]" 1
600 1 43 TYR HB2 1 44 ASP H . . 4.170 3.050 1.862 3.714 . 0 0 "[ . 1 . 2]" 1
601 1 43 TYR H 1 43 TYR HB2 . . 4.140 2.219 2.079 2.523 . 0 0 "[ . 1 . 2]" 1
602 1 77 ASN HB2 1 79 VAL QG . . 4.250 2.454 1.980 3.855 . 0 0 "[ . 1 . 2]" 1
603 1 77 ASN H 1 77 ASN HB2 . . 3.980 2.379 2.211 2.582 . 0 0 "[ . 1 . 2]" 1
604 1 77 ASN HB2 1 77 ASN HD22 . . 4.120 3.644 3.447 4.156 0.036 13 0 "[ . 1 . 2]" 1
605 1 77 ASN HB3 1 79 VAL QG . . 4.130 2.416 2.089 3.276 . 0 0 "[ . 1 . 2]" 1
606 1 27 ASN HB3 1 28 GLY H . . 5.030 3.290 2.239 4.270 . 0 0 "[ . 1 . 2]" 1
607 1 97 ILE HB 1 98 ASP H . . 4.080 3.445 1.912 4.426 0.346 12 0 "[ . 1 . 2]" 1
608 1 97 ILE H 1 97 ILE HB . . 3.710 2.638 2.280 3.056 . 0 0 "[ . 1 . 2]" 1
609 1 29 GLU QB 1 97 ILE HB . . 4.450 3.961 2.586 4.409 . 0 0 "[ . 1 . 2]" 1
610 1 97 ILE HB 1 97 ILE MD . . 3.270 3.120 2.377 3.211 . 0 0 "[ . 1 . 2]" 1
611 1 96 ILE HB 1 96 ILE MD . . 3.500 2.626 2.117 3.216 . 0 0 "[ . 1 . 2]" 1
612 1 96 ILE H 1 96 ILE HB . . 3.800 2.586 2.354 3.651 . 0 0 "[ . 1 . 2]" 1
613 1 79 VAL HB 1 90 ARG H . . 5.350 3.750 3.382 5.452 0.102 18 0 "[ . 1 . 2]" 1
614 1 79 VAL HB 1 91 LYS HA . . 5.100 2.787 2.295 4.219 . 0 0 "[ . 1 . 2]" 1
615 1 63 GLU H 1 63 GLU HG2 . . 4.260 3.953 2.348 4.545 0.285 6 0 "[ . 1 . 2]" 1
616 1 63 GLU HG2 1 64 MET H . . 5.380 4.585 2.746 5.322 . 0 0 "[ . 1 . 2]" 1
617 1 62 THR HA 1 63 GLU HG2 . . 5.500 5.457 4.364 6.159 0.659 6 1 "[ .+ 1 . 2]" 1
618 1 63 GLU HG2 1 72 VAL QG . . 4.560 2.434 1.918 4.261 . 0 0 "[ . 1 . 2]" 1
619 1 63 GLU HG3 1 64 MET H . . 5.380 4.516 3.765 4.919 . 0 0 "[ . 1 . 2]" 1
620 1 63 GLU HG3 1 72 VAL QG . . 4.250 2.449 1.865 4.115 . 0 0 "[ . 1 . 2]" 1
621 1 18 GLU H 1 18 GLU HG2 . . 5.300 3.824 2.445 4.721 . 0 0 "[ . 1 . 2]" 1
622 1 29 GLU H 1 29 GLU HG2 . . 4.840 3.728 2.349 4.934 0.094 11 0 "[ . 1 . 2]" 1
623 1 45 GLU HB3 1 45 GLU HG3 . . 3.040 3.013 2.959 3.055 0.015 15 0 "[ . 1 . 2]" 1
624 1 45 GLU HA 1 45 GLU HG3 . . 4.140 2.510 2.231 2.679 . 0 0 "[ . 1 . 2]" 1
625 1 45 GLU H 1 45 GLU HG2 . . 4.830 4.681 4.442 4.884 0.054 19 0 "[ . 1 . 2]" 1
626 1 93 LYS HB3 1 94 ARG H . . 4.290 4.095 3.925 4.333 0.043 1 0 "[ . 1 . 2]" 1
627 1 93 LYS HB3 1 93 LYS HD2 . . 4.030 3.059 2.582 3.488 . 0 0 "[ . 1 . 2]" 1
628 1 35 GLU HG3 1 36 GLY H . . 4.910 3.070 2.159 4.410 . 0 0 "[ . 1 . 2]" 1
629 1 35 GLU HA 1 35 GLU HG3 . . 4.230 2.539 2.147 3.058 . 0 0 "[ . 1 . 2]" 1
630 1 64 MET HB2 1 65 LEU H . . 3.950 3.102 2.407 3.660 . 0 0 "[ . 1 . 2]" 1
631 1 64 MET HB2 1 71 TYR HB2 . . 4.420 4.195 3.883 4.488 0.068 1 0 "[ . 1 . 2]" 1
632 1 64 MET HB2 1 66 ILE HG12 . . 4.360 3.792 3.203 4.026 . 0 0 "[ . 1 . 2]" 1
633 1 64 MET HB2 1 66 ILE MD . . 4.770 3.254 2.212 4.774 0.004 1 0 "[ . 1 . 2]" 1
634 1 32 TRP HE1 1 52 GLU HG3 . . 5.230 3.804 2.327 5.327 0.097 13 0 "[ . 1 . 2]" 1
635 1 91 LYS HB2 1 92 ILE H . . 4.700 4.210 3.785 4.475 . 0 0 "[ . 1 . 2]" 1
636 1 91 LYS HB2 1 91 LYS HE2 . . 5.090 4.539 3.189 5.018 . 0 0 "[ . 1 . 2]" 1
637 1 35 GLU HB2 1 91 LYS HB2 . . 4.790 2.691 2.026 3.715 . 0 0 "[ . 1 . 2]" 1
638 1 80 GLN QG 1 92 ILE MG . . 4.900 2.061 1.801 2.719 . 0 0 "[ . 1 . 2]" 1
639 1 71 TYR QD 1 80 GLN QG . . 4.790 4.537 4.070 4.728 . 0 0 "[ . 1 . 2]" 1
640 1 57 LYS HB2 1 57 LYS HD2 . . 3.680 3.282 2.830 3.708 0.028 20 0 "[ . 1 . 2]" 1
641 1 35 GLU HB2 1 91 LYS HB3 . . 4.830 3.597 2.807 4.290 . 0 0 "[ . 1 . 2]" 1
642 1 54 ALA HA 1 57 LYS HB3 . . 5.220 3.982 3.384 4.374 . 0 0 "[ . 1 . 2]" 1
643 1 57 LYS HB3 1 57 LYS HE2 . . 5.300 3.723 2.995 4.764 . 0 0 "[ . 1 . 2]" 1
644 1 78 MET H 1 78 MET QG . . 4.810 3.653 2.872 4.330 . 0 0 "[ . 1 . 2]" 1
645 1 42 GLN HG3 1 43 TYR H . . 4.580 3.777 3.307 4.174 . 0 0 "[ . 1 . 2]" 1
646 1 75 LEU HA 1 78 MET QG . . 4.740 3.597 2.803 4.463 . 0 0 "[ . 1 . 2]" 1
647 1 35 GLU H 1 90 ARG HB2 . . 5.480 4.306 3.805 5.171 . 0 0 "[ . 1 . 2]" 1
648 1 33 TYR QE 1 42 GLN HG2 . . 5.170 4.149 3.849 4.918 . 0 0 "[ . 1 . 2]" 1
649 1 72 VAL HB 1 81 TYR QD . . 5.480 3.038 2.236 5.171 . 0 0 "[ . 1 . 2]" 1
650 1 72 VAL HB 1 73 ALA H . . 4.960 4.046 3.010 4.464 . 0 0 "[ . 1 . 2]" 1
651 1 73 ALA MB 1 80 GLN QB . . 4.750 2.541 2.076 3.723 . 0 0 "[ . 1 . 2]" 1
652 1 60 LYS HB3 1 61 ASN HD22 . . 4.770 4.717 4.213 5.430 0.660 10 1 "[ . + . 2]" 1
653 1 101 LYS HB3 1 102 LYS H . . 4.290 2.826 2.104 4.361 0.071 9 0 "[ . 1 . 2]" 1
654 1 59 LYS HB3 1 60 LYS H . . 4.240 3.571 2.981 4.119 . 0 0 "[ . 1 . 2]" 1
655 1 63 GLU HB2 1 64 MET H . . 4.550 4.099 3.231 4.457 . 0 0 "[ . 1 . 2]" 1
656 1 59 LYS HB2 1 60 LYS H . . 5.100 4.383 3.077 4.709 . 0 0 "[ . 1 . 2]" 1
657 1 54 ALA MB 1 59 LYS HB2 . . 3.580 2.056 1.935 2.481 . 0 0 "[ . 1 . 2]" 1
658 1 59 LYS HB2 1 61 ASN H . . 5.500 4.858 4.096 5.433 . 0 0 "[ . 1 . 2]" 1
659 1 59 LYS HB2 1 75 LEU QD . . 5.080 3.854 3.294 4.306 . 0 0 "[ . 1 . 2]" 1
660 1 17 PRO HB3 1 18 GLU H . . 4.500 4.492 4.397 4.544 0.044 19 0 "[ . 1 . 2]" 1
661 1 79 VAL QG 1 89 ARG HB3 . . 4.860 4.296 3.875 4.640 . 0 0 "[ . 1 . 2]" 1
662 1 100 PRO HB2 1 101 LYS H . . 4.500 3.700 2.179 4.454 . 0 0 "[ . 1 . 2]" 1
663 1 81 TYR HB2 1 89 ARG HB2 . . 4.570 3.644 3.396 3.982 . 0 0 "[ . 1 . 2]" 1
664 1 79 VAL QG 1 89 ARG HB2 . . 4.700 3.138 2.628 3.443 . 0 0 "[ . 1 . 2]" 1
665 1 64 MET HG2 1 66 ILE HG12 . . 4.690 3.790 3.171 4.716 0.026 1 0 "[ . 1 . 2]" 1
666 1 64 MET HG2 1 71 TYR HB2 . . 4.650 2.291 1.999 2.781 . 0 0 "[ . 1 . 2]" 1
667 1 64 MET HG2 1 71 TYR HB3 . . 4.270 2.532 2.221 2.898 . 0 0 "[ . 1 . 2]" 1
668 1 64 MET HG2 1 66 ILE MD . . 5.480 3.725 3.286 4.288 . 0 0 "[ . 1 . 2]" 1
669 1 51 LEU QD 1 64 MET HG2 . . 5.500 5.178 4.456 5.319 . 0 0 "[ . 1 . 2]" 1
670 1 64 MET HG3 1 71 TYR HB2 . . 4.650 2.606 1.985 3.018 . 0 0 "[ . 1 . 2]" 1
671 1 64 MET HG3 1 66 ILE MD . . 5.180 2.575 2.043 3.348 . 0 0 "[ . 1 . 2]" 1
672 1 51 LEU QD 1 64 MET HG3 . . 5.500 4.701 4.321 5.271 . 0 0 "[ . 1 . 2]" 1
673 1 64 MET HG3 1 71 TYR HB3 . . 4.570 2.900 2.416 3.440 . 0 0 "[ . 1 . 2]" 1
674 1 64 MET HG3 1 66 ILE HG12 . . 4.670 3.093 2.661 3.780 . 0 0 "[ . 1 . 2]" 1
675 1 29 GLU QB 1 96 ILE MG . . 5.240 4.682 3.919 4.900 . 0 0 "[ . 1 . 2]" 1
676 1 41 TRP HB2 1 42 GLN H . . 4.360 4.198 3.872 4.546 0.186 8 0 "[ . 1 . 2]" 1
677 1 76 GLU H 1 76 GLU HB2 . . 3.970 2.088 2.033 2.193 . 0 0 "[ . 1 . 2]" 1
678 1 76 GLU H 1 76 GLU HB3 . . 3.930 3.378 3.276 3.475 . 0 0 "[ . 1 . 2]" 1
679 1 82 ARG HD3 1 85 GLU HB2 . . 5.230 3.659 2.000 5.166 . 0 0 "[ . 1 . 2]" 1
680 1 85 GLU HB3 1 85 GLU HG2 . . 2.970 2.626 2.266 3.056 0.086 1 0 "[ . 1 . 2]" 1
681 1 82 ARG HB2 1 83 ARG H . . 5.080 4.315 3.990 4.539 . 0 0 "[ . 1 . 2]" 1
682 1 94 ARG HB3 1 94 ARG HD3 . . 4.210 2.879 2.461 3.285 . 0 0 "[ . 1 . 2]" 1
683 1 94 ARG HB3 1 94 ARG HD2 . . 4.200 3.766 3.596 3.990 . 0 0 "[ . 1 . 2]" 1
684 1 15 LEU MD2 1 19 GLU HB2 . . 5.500 4.549 3.544 5.457 . 0 0 "[ . 1 . 2]" 1
685 1 15 LEU MD2 1 19 GLU HB3 . . 5.150 4.130 3.058 5.399 0.249 8 0 "[ . 1 . 2]" 1
686 1 88 ARG HB3 1 89 ARG H . . 3.640 3.681 3.610 3.767 0.127 11 0 "[ . 1 . 2]" 1
687 1 35 GLU HB3 1 90 ARG HA . . 4.040 3.645 3.125 4.024 . 0 0 "[ . 1 . 2]" 1
688 1 83 ARG HB2 1 83 ARG HD3 . . 4.150 3.038 2.094 4.274 0.124 8 0 "[ . 1 . 2]" 1
689 1 83 ARG HB3 1 83 ARG HG2 . . 2.690 2.650 2.272 3.047 0.357 8 0 "[ . 1 . 2]" 1
690 1 45 GLU HB2 1 46 ARG H . . 4.560 3.967 3.381 4.298 . 0 0 "[ . 1 . 2]" 1
691 1 44 ASP HB3 1 45 GLU HB2 . . 5.250 4.482 3.766 5.077 . 0 0 "[ . 1 . 2]" 1
692 1 44 ASP HB3 1 45 GLU HB3 . . 5.120 3.999 3.354 5.134 0.014 19 0 "[ . 1 . 2]" 1
693 1 49 ARG HB2 1 50 GLU H . . 4.610 3.149 2.900 3.427 . 0 0 "[ . 1 . 2]" 1
694 1 49 ARG H 1 49 ARG HB3 . . 4.040 3.485 3.318 3.575 . 0 0 "[ . 1 . 2]" 1
695 1 49 ARG HB3 1 49 ARG HD2 . . 3.950 2.402 1.993 3.473 . 0 0 "[ . 1 . 2]" 1
696 1 32 TRP HE1 1 52 GLU QB . . 4.820 2.043 1.925 2.516 . 0 0 "[ . 1 . 2]" 1
697 1 49 ARG HA 1 52 GLU QB . . 5.150 3.722 3.137 4.715 . 0 0 "[ . 1 . 2]" 1
698 1 33 TYR QD 1 42 GLN HB2 . . 4.320 3.868 3.426 4.181 . 0 0 "[ . 1 . 2]" 1
699 1 57 LYS HE3 1 59 LYS QD . . 3.550 2.968 2.087 4.350 0.800 7 2 "[ . + 1 - 2]" 1
700 1 59 LYS HB2 1 59 LYS QD . . 3.180 2.260 2.069 2.456 . 0 0 "[ . 1 . 2]" 1
701 1 54 ALA MB 1 59 LYS QD . . 3.990 2.714 2.170 3.111 . 0 0 "[ . 1 . 2]" 1
702 1 57 LYS H 1 57 LYS HD2 . . 5.500 4.546 3.207 4.913 . 0 0 "[ . 1 . 2]" 1
703 1 57 LYS HA 1 57 LYS HD2 . . 5.010 4.057 2.737 4.682 . 0 0 "[ . 1 . 2]" 1
704 1 93 LYS HB2 1 93 LYS HD2 . . 3.910 2.267 2.111 2.391 . 0 0 "[ . 1 . 2]" 1
705 1 93 LYS HB2 1 93 LYS HD3 . . 3.830 3.112 2.636 3.636 . 0 0 "[ . 1 . 2]" 1
706 1 79 VAL QG 1 91 LYS HD3 . . 5.500 3.166 2.097 4.490 . 0 0 "[ . 1 . 2]" 1
707 1 79 VAL QG 1 91 LYS HD2 . . 5.500 3.905 3.242 4.448 . 0 0 "[ . 1 . 2]" 1
708 1 75 LEU H 1 75 LEU HG . . 4.050 2.670 1.971 3.948 . 0 0 "[ . 1 . 2]" 1
709 1 74 ASP HA 1 75 LEU HG . . 5.260 4.367 3.620 5.577 0.317 15 0 "[ . 1 . 2]" 1
710 1 78 MET HB2 1 92 ILE MD . . 5.350 5.033 4.690 5.326 . 0 0 "[ . 1 . 2]" 1
711 1 78 MET HB2 1 78 MET ME . . 4.830 4.056 3.689 4.245 . 0 0 "[ . 1 . 2]" 1
712 1 78 MET HB3 1 78 MET ME . . 4.730 3.805 3.147 4.301 . 0 0 "[ . 1 . 2]" 1
713 1 78 MET HB3 1 92 ILE MD . . 5.290 4.546 3.858 5.137 . 0 0 "[ . 1 . 2]" 1
714 1 81 TYR QD 1 89 ARG HG3 . . 5.290 4.979 4.425 6.119 0.829 13 1 "[ . 1 + . 2]" 1
715 1 89 ARG H 1 89 ARG HG3 . . 5.090 3.564 2.520 4.175 . 0 0 "[ . 1 . 2]" 1
716 1 82 ARG HG3 1 83 ARG H . . 5.500 4.389 2.911 5.386 . 0 0 "[ . 1 . 2]" 1
717 1 97 ILE HG12 1 98 ASP H . . 4.520 4.477 2.319 4.938 0.418 1 0 "[ . 1 . 2]" 1
718 1 97 ILE H 1 97 ILE HG12 . . 4.340 3.108 2.273 4.653 0.313 13 0 "[ . 1 . 2]" 1
719 1 30 TYR HA 1 97 ILE HG12 . . 4.910 4.269 3.042 5.514 0.604 13 2 "[ - . 1 + . 2]" 1
720 1 97 ILE HG12 1 97 ILE MG . . 3.490 3.156 2.480 3.242 . 0 0 "[ . 1 . 2]" 1
721 1 82 ARG HG2 1 83 ARG H . . 5.500 3.283 2.071 4.621 . 0 0 "[ . 1 . 2]" 1
722 1 97 ILE HG13 1 98 ASP H . . 4.780 4.671 3.715 5.212 0.432 14 0 "[ . 1 . 2]" 1
723 1 97 ILE H 1 97 ILE HG13 . . 4.500 4.086 1.938 4.590 0.090 8 0 "[ . 1 . 2]" 1
724 1 97 ILE HG13 1 97 ILE MG . . 3.400 2.542 2.292 3.233 . 0 0 "[ . 1 . 2]" 1
725 1 94 ARG QG 1 95 ASP H . . 4.870 3.096 2.355 3.376 . 0 0 "[ . 1 . 2]" 1
726 1 94 ARG QG 1 94 ARG QH2 . . 4.670 4.187 3.917 4.390 . 0 0 "[ . 1 . 2]" 1
727 1 32 TRP HZ2 1 94 ARG QG . . 5.010 3.866 3.310 4.499 . 0 0 "[ . 1 . 2]" 1
728 1 90 ARG HA 1 90 ARG HG2 . . 4.020 2.908 2.251 3.380 . 0 0 "[ . 1 . 2]" 1
729 1 90 ARG HG2 1 91 LYS H . . 5.340 4.083 3.175 4.471 . 0 0 "[ . 1 . 2]" 1
730 1 90 ARG H 1 90 ARG HG2 . . 4.710 4.464 3.313 5.129 0.419 13 0 "[ . 1 . 2]" 1
731 1 46 ARG HA 1 46 ARG HG3 . . 3.920 3.298 2.549 3.841 . 0 0 "[ . 1 . 2]" 1
732 1 46 ARG HG3 1 47 THR H . . 4.130 3.981 1.974 4.853 0.723 6 5 "[ .+ * - *. *]" 1
733 1 70 LEU HG 1 71 TYR H . . 5.430 4.792 3.308 5.553 0.123 1 0 "[ . 1 . 2]" 1
734 1 70 LEU H 1 70 LEU HG . . 4.740 4.088 3.428 4.554 . 0 0 "[ . 1 . 2]" 1
735 1 65 LEU H 1 65 LEU HG . . 4.980 4.347 4.072 4.658 . 0 0 "[ . 1 . 2]" 1
736 1 96 ILE H 1 96 ILE HG12 . . 4.650 3.169 1.960 4.166 . 0 0 "[ . 1 . 2]" 1
737 1 96 ILE HG12 1 96 ILE MG . . 3.570 2.664 2.117 3.229 . 0 0 "[ . 1 . 2]" 1
738 1 96 ILE H 1 96 ILE HG13 . . 4.250 2.960 1.924 3.977 . 0 0 "[ . 1 . 2]" 1
739 1 20 LEU HA 1 20 LEU HG . . 4.220 2.817 2.206 3.647 . 0 0 "[ . 1 . 2]" 1
740 1 20 LEU H 1 20 LEU HG . . 3.770 3.741 3.585 3.795 0.025 19 0 "[ . 1 . 2]" 1
741 1 9 LEU H 1 9 LEU HG . . 5.500 4.238 3.511 5.287 . 0 0 "[ . 1 . 2]" 1
742 1 99 ILE HG13 1 99 ILE MG . . 3.560 2.665 2.358 3.222 . 0 0 "[ . 1 . 2]" 1
743 1 57 LYS HE2 1 57 LYS HG2 . . 4.050 3.551 3.307 3.705 . 0 0 "[ . 1 . 2]" 1
744 1 57 LYS HE2 1 57 LYS HG3 . . 4.150 2.866 2.163 4.200 0.050 14 0 "[ . 1 . 2]" 1
745 1 66 ILE HG13 1 66 ILE MG . . 3.190 2.672 2.346 3.231 0.041 10 0 "[ . 1 . 2]" 1
746 1 91 LYS HA 1 91 LYS HG3 . . 4.140 3.188 2.654 3.649 . 0 0 "[ . 1 . 2]" 1
747 1 79 VAL QG 1 91 LYS HG3 . . 4.560 3.114 1.949 4.057 . 0 0 "[ . 1 . 2]" 1
748 1 40 TRP HH2 1 91 LYS HG3 . . 4.780 4.504 4.088 4.813 0.033 5 0 "[ . 1 . 2]" 1
749 1 91 LYS HG2 1 92 ILE H . . 5.210 3.539 2.355 4.575 . 0 0 "[ . 1 . 2]" 1
750 1 40 TRP HH2 1 91 LYS HG2 . . 4.810 4.490 3.793 4.855 0.045 12 0 "[ . 1 . 2]" 1
751 1 91 LYS HA 1 91 LYS HG2 . . 4.240 2.095 1.926 2.478 . 0 0 "[ . 1 . 2]" 1
752 1 79 VAL HB 1 91 LYS HG2 . . 4.200 3.487 2.787 4.421 0.221 18 0 "[ . 1 . 2]" 1
753 1 32 TRP HE3 1 92 ILE HG13 . . 5.340 4.107 3.291 4.824 . 0 0 "[ . 1 . 2]" 1
754 1 78 MET HA 1 92 ILE HG13 . . 4.660 2.792 2.502 3.448 . 0 0 "[ . 1 . 2]" 1
755 1 78 MET HB2 1 92 ILE HG13 . . 4.740 4.477 4.178 4.837 0.097 10 0 "[ . 1 . 2]" 1
756 1 59 LYS H 1 59 LYS HG2 . . 4.230 3.768 3.182 4.171 . 0 0 "[ . 1 . 2]" 1
757 1 59 LYS HA 1 59 LYS HG2 . . 4.220 2.601 2.400 2.997 . 0 0 "[ . 1 . 2]" 1
758 1 54 ALA HA 1 59 LYS HG2 . . 4.940 4.715 4.417 4.968 0.028 20 0 "[ . 1 . 2]" 1
759 1 59 LYS H 1 59 LYS HG3 . . 4.370 2.480 1.973 3.004 . 0 0 "[ . 1 . 2]" 1
760 1 54 ALA HA 1 59 LYS HG3 . . 5.010 3.903 3.450 4.403 . 0 0 "[ . 1 . 2]" 1
761 1 78 MET HB2 1 92 ILE HG12 . . 5.170 5.152 4.690 5.565 0.395 12 0 "[ . 1 . 2]" 1
762 1 78 MET HA 1 92 ILE HG12 . . 5.280 3.189 2.820 3.429 . 0 0 "[ . 1 . 2]" 1
763 1 91 LYS H 1 91 LYS HG3 . . 4.130 3.445 2.531 4.162 0.032 13 0 "[ . 1 . 2]" 1
764 1 91 LYS H 1 91 LYS HG2 . . 4.250 3.609 2.432 4.245 . 0 0 "[ . 1 . 2]" 1
765 1 60 LYS H 1 60 LYS HG3 . . 4.350 3.234 2.064 4.115 . 0 0 "[ . 1 . 2]" 1
766 1 60 LYS HE3 1 60 LYS HG3 . . 4.100 2.987 2.233 3.983 . 0 0 "[ . 1 . 2]" 1
767 1 75 LEU H 1 75 LEU QD . . 4.210 2.648 1.807 3.066 . 0 0 "[ . 1 . 2]" 1
768 1 32 TRP HH2 1 75 LEU QD . . 3.680 2.042 1.757 2.491 . 0 0 "[ . 1 . 2]" 1
769 1 75 LEU HA 1 75 LEU QD . . 3.600 2.263 1.985 2.586 . 0 0 "[ . 1 . 2]" 1
770 1 62 THR HB 1 75 LEU QD . . 5.140 3.327 2.698 4.418 . 0 0 "[ . 1 . 2]" 1
771 1 55 PHE HB2 1 75 LEU QD . . 4.260 2.330 1.777 3.080 . 0 0 "[ . 1 . 2]" 1
772 1 51 LEU QD 1 75 LEU QD . . 4.130 2.593 2.093 3.417 . 0 0 "[ . 1 . 2]" 1
773 1 32 TRP HZ3 1 51 LEU QD . . 4.720 3.761 3.220 4.361 . 0 0 "[ . 1 . 2]" 1
774 1 32 TRP HB3 1 51 LEU QD . . 4.340 2.271 1.946 2.902 . 0 0 "[ . 1 . 2]" 1
775 1 47 THR MG 1 51 LEU QD . . 4.110 2.396 1.636 3.090 . 0 0 "[ . 1 . 2]" 1
776 1 32 TRP HB2 1 51 LEU QD . . 4.800 2.371 1.942 3.163 . 0 0 "[ . 1 . 2]" 1
777 1 21 LYS H 1 21 LYS HD2 . . 4.260 3.316 1.952 4.249 . 0 0 "[ . 1 . 2]" 1
778 1 65 LEU HA 1 70 LEU QD . . 4.270 2.615 1.943 3.236 . 0 0 "[ . 1 . 2]" 1
779 1 70 LEU HA 1 70 LEU QD . . 3.830 2.048 1.858 2.639 . 0 0 "[ . 1 . 2]" 1
780 1 65 LEU MD2 1 66 ILE H . . 5.500 4.787 3.387 5.128 . 0 0 "[ . 1 . 2]" 1
781 1 65 LEU MD2 1 70 LEU H . . 5.330 5.236 4.630 5.370 0.040 9 0 "[ . 1 . 2]" 1
782 1 65 LEU HA 1 65 LEU MD2 . . 4.500 3.683 3.152 3.897 . 0 0 "[ . 1 . 2]" 1
783 1 65 LEU MD2 1 70 LEU HA . . 4.620 4.336 3.945 4.621 0.001 8 0 "[ . 1 . 2]" 1
784 1 65 LEU MD2 1 68 GLY HA2 . . 5.500 4.423 3.245 4.798 . 0 0 "[ . 1 . 2]" 1
785 1 65 LEU MD2 1 68 GLY H . . 5.430 4.627 2.626 5.169 . 0 0 "[ . 1 . 2]" 1
786 1 11 LYS H 1 11 LYS HG3 . . 4.300 3.953 2.478 4.907 0.607 2 1 "[ + . 1 . 2]" 1
787 1 33 TYR HB3 1 93 LYS HG3 . . 4.590 3.510 3.288 3.914 . 0 0 "[ . 1 . 2]" 1
788 1 33 TYR HB3 1 93 LYS HG2 . . 4.380 2.911 2.512 3.083 . 0 0 "[ . 1 . 2]" 1
789 1 70 LEU QD 1 83 ARG HD3 . . 5.090 2.640 1.835 3.775 . 0 0 "[ . 1 . 2]" 1
790 1 55 PHE QD 1 75 LEU QD . . 3.850 2.793 1.964 3.551 . 0 0 "[ . 1 . 2]" 1
791 1 32 TRP HZ2 1 75 LEU QD . . 4.250 3.445 2.884 4.059 . 0 0 "[ . 1 . 2]" 1
792 1 51 LEU HA 1 75 LEU QD . . 3.900 2.999 2.674 3.348 . 0 0 "[ . 1 . 2]" 1
793 1 51 LEU HB3 1 75 LEU QD . . 5.240 2.882 2.459 3.239 . 0 0 "[ . 1 . 2]" 1
794 1 65 LEU MD1 1 71 TYR H . . 5.500 3.975 3.413 5.435 . 0 0 "[ . 1 . 2]" 1
795 1 65 LEU MD1 1 70 LEU HA . . 4.640 2.510 1.952 3.952 . 0 0 "[ . 1 . 2]" 1
796 1 65 LEU MD1 1 68 GLY HA3 . . 5.500 4.585 4.175 6.305 0.805 18 2 "[ - 1 . + 2]" 1
797 1 65 LEU HB3 1 65 LEU MD1 . . 3.460 3.125 2.594 3.208 . 0 0 "[ . 1 . 2]" 1
798 1 14 LEU HA 1 14 LEU QD . . 3.980 2.576 1.938 3.413 . 0 0 "[ . 1 . 2]" 1
799 1 9 LEU HA 1 9 LEU MD2 . . 4.160 2.851 1.990 4.018 . 0 0 "[ . 1 . 2]" 1
800 1 15 LEU HA 1 15 LEU MD2 . . 3.800 3.420 2.349 4.046 0.246 17 0 "[ . 1 . 2]" 1
801 1 31 ALA MB 1 32 TRP H . . 3.730 2.875 2.353 3.315 . 0 0 "[ . 1 . 2]" 1
802 1 31 ALA MB 1 42 GLN HE21 . . 4.520 3.056 1.987 4.022 . 0 0 "[ . 1 . 2]" 1
803 1 31 ALA MB 1 42 GLN HE22 . . 4.200 3.050 2.267 4.429 0.229 8 0 "[ . 1 . 2]" 1
804 1 30 TYR HA 1 31 ALA MB . . 4.100 3.777 3.666 3.896 . 0 0 "[ . 1 . 2]" 1
805 1 31 ALA MB 1 42 GLN HG3 . . 4.960 2.887 2.430 3.328 . 0 0 "[ . 1 . 2]" 1
806 1 31 ALA MB 1 42 GLN HG2 . . 3.950 3.149 2.577 3.897 . 0 0 "[ . 1 . 2]" 1
807 1 47 THR MG 1 48 SER H . . 4.430 3.300 2.602 3.734 . 0 0 "[ . 1 . 2]" 1
808 1 47 THR MG 1 51 LEU H . . 5.120 4.329 3.677 4.871 . 0 0 "[ . 1 . 2]" 1
809 1 43 TYR HB2 1 47 THR MG . . 4.860 4.030 3.418 4.668 . 0 0 "[ . 1 . 2]" 1
810 1 43 TYR HB3 1 47 THR MG . . 5.260 3.114 2.414 3.787 . 0 0 "[ . 1 . 2]" 1
811 1 47 THR MG 1 64 MET HG2 . . 4.670 4.511 3.962 4.685 0.015 2 0 "[ . 1 . 2]" 1
812 1 47 THR MG 1 66 ILE MD . . 4.100 3.000 2.318 4.036 . 0 0 "[ . 1 . 2]" 1
813 1 51 LEU QD 1 64 MET ME . . 4.330 2.212 1.937 2.541 . 0 0 "[ . 1 . 2]" 1
814 1 51 LEU QD 1 54 ALA MB . . 4.660 3.766 3.264 4.262 . 0 0 "[ . 1 . 2]" 1
815 1 51 LEU QD 1 73 ALA MB . . 3.170 1.986 1.630 2.993 . 0 0 "[ . 1 . 2]" 1
816 1 79 VAL QG 1 91 LYS H . . 5.490 4.209 3.373 4.682 . 0 0 "[ . 1 . 2]" 1
817 1 79 VAL QG 1 81 TYR QD . . 3.420 2.374 2.037 2.669 . 0 0 "[ . 1 . 2]" 1
818 1 79 VAL QG 1 91 LYS HA . . 3.710 2.192 1.796 2.472 . 0 0 "[ . 1 . 2]" 1
819 1 13 THR MG 1 14 LEU H . . 4.130 2.395 1.788 3.954 . 0 0 "[ . 1 . 2]" 1
820 1 12 PRO HA 1 13 THR MG . . 5.500 4.549 3.218 5.533 0.033 20 0 "[ . 1 . 2]" 1
821 1 72 VAL QG 1 73 ALA H . . 3.750 2.960 2.466 3.521 . 0 0 "[ . 1 . 2]" 1
822 1 72 VAL QG 1 83 ARG H . . 5.080 3.104 2.680 3.694 . 0 0 "[ . 1 . 2]" 1
823 1 72 VAL QG 1 81 TYR QD . . 3.960 2.883 2.082 3.281 . 0 0 "[ . 1 . 2]" 1
824 1 72 VAL QG 1 81 TYR QE . . 3.530 1.951 1.828 2.239 . 0 0 "[ . 1 . 2]" 1
825 1 63 GLU HB2 1 72 VAL QG . . 5.030 3.912 1.972 4.810 . 0 0 "[ . 1 . 2]" 1
826 1 72 VAL QG 1 83 ARG HB2 . . 4.490 2.941 2.268 4.141 . 0 0 "[ . 1 . 2]" 1
827 1 72 VAL QG 1 83 ARG HG2 . . 3.920 2.710 1.806 4.120 0.200 18 0 "[ . 1 . 2]" 1
828 1 72 VAL QG 1 83 ARG HB3 . . 3.980 3.777 3.556 4.030 0.050 13 0 "[ . 1 . 2]" 1
829 1 72 VAL QG 1 74 ASP H . . 5.100 4.074 3.708 4.597 . 0 0 "[ . 1 . 2]" 1
830 1 72 VAL QG 1 74 ASP HA . . 4.970 4.101 3.809 4.558 . 0 0 "[ . 1 . 2]" 1
831 1 72 VAL QG 1 74 ASP HB2 . . 4.570 3.669 3.307 4.219 . 0 0 "[ . 1 . 2]" 1
832 1 62 THR H 1 72 VAL QG . . 4.290 3.798 3.121 4.137 . 0 0 "[ . 1 . 2]" 1
833 1 74 ASP HB3 1 79 VAL QG . . 3.810 2.533 1.988 3.779 . 0 0 "[ . 1 . 2]" 1
834 1 73 ALA MB 1 74 ASP H . . 4.300 3.360 3.032 3.489 . 0 0 "[ . 1 . 2]" 1
835 1 43 TYR HH 1 92 ILE MG . . 4.700 2.214 1.815 2.717 . 0 0 "[ . 1 . 2]" 1
836 1 92 ILE H 1 92 ILE MG . . 4.740 2.971 2.564 3.209 . 0 0 "[ . 1 . 2]" 1
837 1 32 TRP HZ3 1 92 ILE MG . . 4.890 4.891 4.669 4.994 0.104 13 0 "[ . 1 . 2]" 1
838 1 32 TRP HE3 1 92 ILE MG . . 4.560 4.126 3.916 4.354 . 0 0 "[ . 1 . 2]" 1
839 1 79 VAL HA 1 92 ILE MG . . 4.890 2.688 2.359 3.012 . 0 0 "[ . 1 . 2]" 1
840 1 91 LYS HA 1 92 ILE MG . . 4.900 3.500 3.216 3.682 . 0 0 "[ . 1 . 2]" 1
841 1 34 TYR HB2 1 92 ILE MG . . 4.340 2.537 2.222 2.887 . 0 0 "[ . 1 . 2]" 1
842 1 34 TYR HB3 1 92 ILE MG . . 4.580 2.590 2.061 3.087 . 0 0 "[ . 1 . 2]" 1
843 1 51 LEU QD 1 92 ILE MG . . 5.500 3.383 2.986 3.845 . 0 0 "[ . 1 . 2]" 1
844 1 61 ASN HA 1 62 THR MG . . 5.500 3.887 3.082 4.541 . 0 0 "[ . 1 . 2]" 1
845 1 51 LEU HA 1 62 THR MG . . 4.570 2.398 2.079 2.814 . 0 0 "[ . 1 . 2]" 1
846 1 51 LEU QD 1 62 THR MG . . 4.090 2.002 1.673 2.799 . 0 0 "[ . 1 . 2]" 1
847 1 23 ALA H 1 23 ALA MB . . 3.210 2.043 1.939 2.153 . 0 0 "[ . 1 . 2]" 1
848 1 22 ALA H 1 22 ALA MB . . 3.550 2.073 1.950 2.177 . 0 0 "[ . 1 . 2]" 1
849 1 51 LEU HA 1 54 ALA MB . . 4.460 2.885 2.475 3.259 . 0 0 "[ . 1 . 2]" 1
850 1 54 ALA MB 1 62 THR MG . . 3.460 2.696 1.754 3.052 . 0 0 "[ . 1 . 2]" 1
851 1 54 ALA MB 1 75 LEU QD . . 3.480 2.280 2.020 2.636 . 0 0 "[ . 1 . 2]" 1
852 1 78 MET ME 1 93 LYS H . . 5.020 4.057 3.592 4.524 . 0 0 "[ . 1 . 2]" 1
853 1 78 MET ME 1 78 MET QG . . 3.170 2.070 1.970 2.205 . 0 0 "[ . 1 . 2]" 1
854 1 43 TYR HH 1 64 MET ME . . 4.580 3.524 2.393 4.495 . 0 0 "[ . 1 . 2]" 1
855 1 47 THR MG 1 64 MET ME . . 4.330 2.122 1.843 3.155 . 0 0 "[ . 1 . 2]" 1
856 1 64 MET ME 1 64 MET HG2 . . 3.450 3.084 2.189 3.257 . 0 0 "[ . 1 . 2]" 1
857 1 64 MET ME 1 66 ILE MD . . 4.230 3.121 2.603 3.785 . 0 0 "[ . 1 . 2]" 1
858 1 96 ILE H 1 96 ILE MG . . 3.960 3.762 3.493 3.895 . 0 0 "[ . 1 . 2]" 1
859 1 96 ILE HG13 1 96 ILE MG . . 3.080 2.891 2.307 3.237 0.157 2 0 "[ . 1 . 2]" 1
860 1 96 ILE MD 1 96 ILE MG . . 2.400 2.063 1.870 2.371 . 0 0 "[ . 1 . 2]" 1
861 1 99 ILE H 1 99 ILE MG . . 4.700 3.129 1.820 4.052 . 0 0 "[ . 1 . 2]" 1
862 1 97 ILE MG 1 99 ILE H . . 4.640 3.842 2.062 4.870 0.230 17 0 "[ . 1 . 2]" 1
863 1 97 ILE MG 1 98 ASP HB3 . . 5.380 4.044 2.497 5.091 . 0 0 "[ . 1 . 2]" 1
864 1 97 ILE MG 1 98 ASP H . . 4.420 2.030 1.720 2.648 . 0 0 "[ . 1 . 2]" 1
865 1 97 ILE MG 1 98 ASP HA . . 5.140 3.695 2.939 4.508 . 0 0 "[ . 1 . 2]" 1
866 1 66 ILE MG 1 67 ALA MB . . 3.930 2.661 2.487 2.935 . 0 0 "[ . 1 . 2]" 1
867 1 66 ILE MD 1 66 ILE MG . . 3.590 1.979 1.913 2.066 . 0 0 "[ . 1 . 2]" 1
868 1 92 ILE H 1 92 ILE MD . . 4.400 3.977 3.866 4.163 . 0 0 "[ . 1 . 2]" 1
869 1 79 VAL HA 1 92 ILE MD . . 4.810 3.752 3.475 4.028 . 0 0 "[ . 1 . 2]" 1
870 1 78 MET QG 1 92 ILE MD . . 4.470 3.342 2.745 4.182 . 0 0 "[ . 1 . 2]" 1
871 1 92 ILE MD 1 92 ILE MG . . 3.450 2.266 1.937 2.499 . 0 0 "[ . 1 . 2]" 1
872 1 51 LEU QD 1 92 ILE MD . . 4.510 2.669 2.271 3.213 . 0 0 "[ . 1 . 2]" 1
873 1 79 VAL H 1 92 ILE MD . . 4.580 3.478 2.961 3.958 . 0 0 "[ . 1 . 2]" 1
874 1 92 ILE HA 1 92 ILE MD . . 4.540 4.078 3.991 4.131 . 0 0 "[ . 1 . 2]" 1
875 1 92 ILE HB 1 92 ILE MD . . 3.690 2.109 1.978 2.326 . 0 0 "[ . 1 . 2]" 1
876 1 80 GLN QB 1 92 ILE MD . . 4.100 3.321 2.738 3.974 . 0 0 "[ . 1 . 2]" 1
877 1 97 ILE H 1 97 ILE MD . . 5.190 3.953 3.359 4.582 . 0 0 "[ . 1 . 2]" 1
878 1 31 ALA MB 1 97 ILE MD . . 3.570 2.959 1.873 3.543 . 0 0 "[ . 1 . 2]" 1
879 1 32 TRP HB3 1 32 TRP HZ3 . . 5.120 4.823 4.792 4.927 . 0 0 "[ . 1 . 2]" 1
880 1 33 TYR HB2 1 93 LYS HG2 . . 5.500 2.417 1.995 2.793 . 0 0 "[ . 1 . 2]" 1
881 1 33 TYR HB2 1 40 TRP HB3 . . 4.430 3.526 3.107 3.891 . 0 0 "[ . 1 . 2]" 1
882 1 33 TYR HB2 1 34 TYR H . . 4.590 4.185 3.922 4.495 . 0 0 "[ . 1 . 2]" 1
883 1 33 TYR HB3 1 93 LYS H . . 4.900 4.083 3.646 4.553 . 0 0 "[ . 1 . 2]" 1
884 1 33 TYR HB3 1 40 TRP HB3 . . 4.420 2.062 1.980 2.357 . 0 0 "[ . 1 . 2]" 1
885 1 34 TYR HA 1 92 ILE MD . . 5.500 5.262 4.807 5.493 . 0 0 "[ . 1 . 2]" 1
886 1 73 ALA HA 1 74 ASP HB2 . . 5.320 4.422 4.080 4.726 . 0 0 "[ . 1 . 2]" 1
887 1 52 GLU HA 1 55 PHE HB2 . . 5.020 3.426 2.860 4.124 . 0 0 "[ . 1 . 2]" 1
888 1 55 PHE HB2 1 56 SER H . . 4.900 3.815 3.613 4.131 . 0 0 "[ . 1 . 2]" 1
889 1 32 TRP HZ2 1 55 PHE HB3 . . 4.780 2.514 2.212 3.003 . 0 0 "[ . 1 . 2]" 1
890 1 55 PHE HB3 1 75 LEU QD . . 5.110 3.504 2.863 4.228 . 0 0 "[ . 1 . 2]" 1
891 1 70 LEU HA 1 71 TYR QD . . 5.240 4.111 3.735 4.337 . 0 0 "[ . 1 . 2]" 1
892 1 17 PRO HA 1 19 GLU H . . 5.500 4.220 3.717 4.692 . 0 0 "[ . 1 . 2]" 1
893 1 18 GLU HA 1 21 LYS QB . . 4.350 3.197 2.106 4.132 . 0 0 "[ . 1 . 2]" 1
894 1 18 GLU HA 1 21 LYS HG2 . . 5.210 4.363 2.466 5.897 0.687 9 1 "[ . +1 . 2]" 1
895 1 18 GLU HA 1 21 LYS HD2 . . 5.500 3.791 2.126 5.156 . 0 0 "[ . 1 . 2]" 1
896 1 30 TYR HB3 1 31 ALA H . . 4.690 3.981 3.336 4.356 . 0 0 "[ . 1 . 2]" 1
897 1 57 LYS HA 1 57 LYS HG3 . . 3.740 2.905 2.260 3.535 . 0 0 "[ . 1 . 2]" 1
898 1 59 LYS HB2 1 62 THR HB . . 5.500 4.104 3.625 5.309 . 0 0 "[ . 1 . 2]" 1
899 1 64 MET ME 1 73 ALA HA . . 4.520 3.533 2.466 3.912 . 0 0 "[ . 1 . 2]" 1
900 1 11 LYS HB3 1 12 PRO HD3 . . 5.500 4.322 3.186 4.880 . 0 0 "[ . 1 . 2]" 1
901 1 11 LYS HB2 1 12 PRO HD3 . . 5.340 4.525 3.188 4.868 . 0 0 "[ . 1 . 2]" 1
902 1 30 TYR HA 1 96 ILE MG . . 5.360 3.087 1.997 3.839 . 0 0 "[ . 1 . 2]" 1
903 1 35 GLU HA 1 40 TRP HB3 . . 5.500 4.426 3.816 4.990 . 0 0 "[ . 1 . 2]" 1
904 1 33 TYR QD 1 40 TRP HB2 . . 5.000 3.206 2.604 3.668 . 0 0 "[ . 1 . 2]" 1
905 1 91 LYS H 1 91 LYS HD3 . . 5.180 5.108 4.597 5.899 0.719 7 1 "[ . + 1 . 2]" 1
906 1 91 LYS HA 1 91 LYS HD3 . . 4.630 3.654 2.878 4.489 . 0 0 "[ . 1 . 2]" 1
907 1 32 TRP HH2 1 92 ILE MD . . 4.670 3.934 3.636 4.304 . 0 0 "[ . 1 . 2]" 1
908 1 33 TYR HB2 1 93 LYS QE . . 5.500 2.640 2.152 3.084 . 0 0 "[ . 1 . 2]" 1
909 1 33 TYR QD 1 95 ASP HB3 . . 4.400 2.972 2.261 3.611 . 0 0 "[ . 1 . 2]" 1
910 1 96 ILE MD 1 97 ILE H . . 5.500 4.557 3.238 5.290 . 0 0 "[ . 1 . 2]" 1
911 1 30 TYR HA 1 96 ILE MD . . 5.500 4.148 2.554 5.384 . 0 0 "[ . 1 . 2]" 1
912 1 98 ASP HB3 1 99 ILE MD . . 5.500 4.846 3.229 5.944 0.444 13 0 "[ . 1 . 2]" 1
913 1 64 MET ME 1 73 ALA MB . . 3.700 1.930 1.734 2.399 . 0 0 "[ . 1 . 2]" 1
914 1 15 LEU HA 1 19 GLU HB2 . . 5.170 4.329 1.924 5.177 0.007 1 0 "[ . 1 . 2]" 1
915 1 55 PHE QD 1 75 LEU HB2 . . 5.210 3.566 2.439 4.435 . 0 0 "[ . 1 . 2]" 1
916 1 54 ALA H 1 62 THR HB . . 5.500 4.589 3.969 5.131 . 0 0 "[ . 1 . 2]" 1
917 1 54 ALA MB 1 62 THR HB . . 5.500 2.098 1.851 2.864 . 0 0 "[ . 1 . 2]" 1
918 1 59 LYS HB3 1 62 THR HB . . 5.500 3.778 3.075 5.056 . 0 0 "[ . 1 . 2]" 1
919 1 51 LEU QD 1 62 THR HB . . 5.500 4.038 3.084 5.087 . 0 0 "[ . 1 . 2]" 1
920 1 64 MET ME 1 71 TYR H . . 5.500 5.348 5.098 5.511 0.011 9 0 "[ . 1 . 2]" 1
921 1 64 MET ME 1 74 ASP H . . 5.500 5.333 4.440 5.543 0.043 3 0 "[ . 1 . 2]" 1
922 1 64 MET ME 1 73 ALA H . . 5.090 3.683 3.125 4.149 . 0 0 "[ . 1 . 2]" 1
923 1 43 TYR QD 1 64 MET ME . . 5.500 4.265 3.499 4.917 . 0 0 "[ . 1 . 2]" 1
924 1 51 LEU HA 1 64 MET ME . . 5.500 5.319 5.021 5.530 0.030 8 0 "[ . 1 . 2]" 1
925 1 99 ILE H 1 100 PRO HD2 . . 5.500 4.894 4.531 5.036 . 0 0 "[ . 1 . 2]" 1
926 1 64 MET ME 1 80 GLN QG . . 5.500 3.572 1.944 4.589 . 0 0 "[ . 1 . 2]" 1
927 1 82 ARG HD3 1 83 ARG H . . 5.500 4.644 3.139 5.561 0.061 17 0 "[ . 1 . 2]" 1
928 1 55 PHE HZ 1 94 ARG HD3 . . 5.340 4.716 3.391 5.328 . 0 0 "[ . 1 . 2]" 1
929 1 40 TRP HB3 1 93 LYS QE . . 5.500 3.301 2.291 4.795 . 0 0 "[ . 1 . 2]" 1
930 1 33 TYR QD 1 93 LYS QE . . 4.260 3.240 2.675 3.546 . 0 0 "[ . 1 . 2]" 1
931 1 64 MET HB3 1 64 MET ME . . 4.860 3.214 2.823 3.640 . 0 0 "[ . 1 . 2]" 1
932 1 52 GLU H 1 52 GLU HG3 . . 4.880 3.838 1.921 4.593 . 0 0 "[ . 1 . 2]" 1
933 1 52 GLU HG3 1 53 ASP H . . 5.500 3.727 1.912 5.163 . 0 0 "[ . 1 . 2]" 1
934 1 52 GLU HA 1 55 PHE HB3 . . 4.610 2.372 1.997 2.884 . 0 0 "[ . 1 . 2]" 1
935 1 30 TYR HB2 1 94 ARG QG . . 5.170 3.175 2.128 5.910 0.740 2 2 "[ + . 1 . -2]" 1
936 1 15 LEU HB3 1 19 GLU HB3 . . 4.470 3.882 2.800 4.454 . 0 0 "[ . 1 . 2]" 1
937 1 15 LEU HB3 1 19 GLU HB2 . . 4.460 3.949 2.949 4.484 0.024 8 0 "[ . 1 . 2]" 1
938 1 15 LEU HB2 1 19 GLU HB2 . . 4.380 3.589 2.633 4.466 0.086 9 0 "[ . 1 . 2]" 1
939 1 15 LEU HB2 1 19 GLU HB3 . . 4.380 3.608 2.659 4.399 0.019 9 0 "[ . 1 . 2]" 1
940 1 16 SER HA 1 17 PRO HG2 . . 5.500 4.890 4.728 5.074 . 0 0 "[ . 1 . 2]" 1
941 1 17 PRO HG2 1 18 GLU HA . . 4.990 4.878 4.761 4.960 . 0 0 "[ . 1 . 2]" 1
942 1 29 GLU HA 1 30 TYR HB3 . . 5.500 4.464 4.174 5.223 . 0 0 "[ . 1 . 2]" 1
943 1 30 TYR HA 1 97 ILE H . . 4.470 2.572 1.887 4.211 . 0 0 "[ . 1 . 2]" 1
944 1 74 ASP H 1 79 VAL QG . . 4.380 3.499 2.676 3.970 . 0 0 "[ . 1 . 2]" 1
945 1 76 GLU HB2 1 78 MET H . . 5.500 4.629 4.446 4.843 . 0 0 "[ . 1 . 2]" 1
946 1 76 GLU HB2 1 77 ASN HD22 . . 5.500 4.783 3.914 5.480 . 0 0 "[ . 1 . 2]" 1
947 1 57 LYS HB3 1 57 LYS HD2 . . 3.760 2.789 2.056 4.043 0.283 11 0 "[ . 1 . 2]" 1
948 1 79 VAL QG 1 91 LYS HE3 . . 4.860 3.683 2.345 4.664 . 0 0 "[ . 1 . 2]" 1
949 1 79 VAL QG 1 91 LYS HG2 . . 3.770 2.035 1.769 2.779 . 0 0 "[ . 1 . 2]" 1
950 1 47 THR MG 1 64 MET HG3 . . 4.560 3.213 2.471 4.240 . 0 0 "[ . 1 . 2]" 1
951 1 47 THR MG 1 64 MET HB2 . . 4.330 3.246 2.520 3.865 . 0 0 "[ . 1 . 2]" 1
952 1 47 THR MG 1 66 ILE HG13 . . 5.090 4.865 4.397 5.148 0.058 20 0 "[ . 1 . 2]" 1
953 1 49 ARG HA 1 52 GLU H . . 4.850 3.897 3.582 4.221 . 0 0 "[ . 1 . 2]" 1
954 1 49 ARG HA 1 49 ARG HG3 . . 4.200 3.401 2.998 3.675 . 0 0 "[ . 1 . 2]" 1
955 1 57 LYS HA 1 57 LYS HD3 . . 5.330 4.315 3.748 4.628 . 0 0 "[ . 1 . 2]" 1
956 1 57 LYS H 1 57 LYS HD3 . . 5.310 4.472 3.156 5.152 . 0 0 "[ . 1 . 2]" 1
957 1 54 ALA MB 1 59 LYS HB3 . . 3.700 2.616 2.072 3.688 . 0 0 "[ . 1 . 2]" 1
958 1 60 LYS HG2 1 76 GLU HG3 . . 5.020 2.813 1.991 4.664 . 0 0 "[ . 1 . 2]" 1
959 1 64 MET ME 1 71 TYR HB3 . . 3.990 3.078 2.709 3.315 . 0 0 "[ . 1 . 2]" 1
960 1 64 MET ME 1 71 TYR HB2 . . 4.000 3.805 3.586 4.009 0.009 9 0 "[ . 1 . 2]" 1
961 1 72 VAL HA 1 73 ALA MB . . 4.030 3.893 3.774 3.949 . 0 0 "[ . 1 . 2]" 1
962 1 76 GLU HG2 1 77 ASN H . . 4.940 4.906 4.797 4.955 0.015 12 0 "[ . 1 . 2]" 1
963 1 78 MET HA 1 78 MET ME . . 5.120 3.356 2.849 3.741 . 0 0 "[ . 1 . 2]" 1
964 1 78 MET ME 1 94 ARG HB2 . . 4.450 2.770 2.078 3.510 . 0 0 "[ . 1 . 2]" 1
965 1 78 MET ME 1 94 ARG QG . . 5.500 4.233 3.461 5.056 . 0 0 "[ . 1 . 2]" 1
966 1 78 MET ME 1 94 ARG HB3 . . 4.760 3.798 2.886 4.459 . 0 0 "[ . 1 . 2]" 1
967 1 75 LEU QD 1 78 MET ME . . 3.870 3.118 2.120 3.539 . 0 0 "[ . 1 . 2]" 1
968 1 78 MET ME 1 92 ILE MD . . 3.860 2.946 2.328 3.326 . 0 0 "[ . 1 . 2]" 1
969 1 78 MET H 1 78 MET ME . . 5.500 4.881 4.293 5.206 . 0 0 "[ . 1 . 2]" 1
970 1 78 MET ME 1 94 ARG H . . 4.160 2.705 1.935 3.578 . 0 0 "[ . 1 . 2]" 1
971 1 32 TRP HE3 1 78 MET ME . . 3.650 3.531 3.066 3.666 0.016 12 0 "[ . 1 . 2]" 1
972 1 32 TRP HH2 1 78 MET ME . . 3.660 3.029 2.415 3.644 . 0 0 "[ . 1 . 2]" 1
973 1 74 ASP HB2 1 79 VAL QG . . 3.930 3.433 1.933 3.984 0.054 18 0 "[ . 1 . 2]" 1
974 1 81 TYR HB2 1 86 HIS HA . . 3.980 2.630 2.380 3.056 . 0 0 "[ . 1 . 2]" 1
975 1 91 LYS HB3 1 92 ILE MG . . 5.500 4.837 4.587 5.008 . 0 0 "[ . 1 . 2]" 1
976 1 94 ARG HB2 1 95 ASP H . . 5.500 4.571 4.167 4.671 . 0 0 "[ . 1 . 2]" 1
977 1 95 ASP HA 1 96 ILE HB . . 5.500 4.871 4.609 5.667 0.167 2 0 "[ . 1 . 2]" 1
978 1 95 ASP HA 1 96 ILE HG13 . . 5.500 4.124 3.059 5.361 . 0 0 "[ . 1 . 2]" 1
979 1 95 ASP HA 1 96 ILE MD . . 5.160 4.336 3.002 4.806 . 0 0 "[ . 1 . 2]" 1
980 1 31 ALA H 1 96 ILE HA . . 4.480 3.153 2.823 3.542 . 0 0 "[ . 1 . 2]" 1
981 1 96 ILE HB 1 97 ILE H . . 4.560 4.069 3.413 4.246 . 0 0 "[ . 1 . 2]" 1
982 1 62 THR HB 1 73 ALA MB . . 5.500 4.326 3.224 5.071 . 0 0 "[ . 1 . 2]" 1
983 1 21 LYS HA 1 21 LYS HD3 . . 5.220 4.248 3.231 5.245 0.025 11 0 "[ . 1 . 2]" 1
984 1 21 LYS HA 1 21 LYS HD2 . . 4.830 3.676 2.156 4.775 . 0 0 "[ . 1 . 2]" 1
985 1 21 LYS QB 1 21 LYS HD3 . . 3.630 2.668 2.033 3.470 . 0 0 "[ . 1 . 2]" 1
986 1 16 SER QB 1 17 PRO HD3 . . 3.090 2.956 2.602 3.106 0.016 2 0 "[ . 1 . 2]" 1
987 1 16 SER QB 1 17 PRO HB3 . . 5.460 5.220 5.067 5.425 . 0 0 "[ . 1 . 2]" 1
988 1 16 SER QB 1 17 PRO HD2 . . 3.650 1.991 1.883 2.101 . 0 0 "[ . 1 . 2]" 1
989 1 18 GLU HA 1 21 LYS HD3 . . 5.410 3.288 2.026 4.741 . 0 0 "[ . 1 . 2]" 1
990 1 18 GLU HA 1 18 GLU HG3 . . 4.280 2.796 1.987 3.763 . 0 0 "[ . 1 . 2]" 1
991 1 29 GLU HA 1 29 GLU HG2 . . 4.070 2.566 2.000 3.449 . 0 0 "[ . 1 . 2]" 1
992 1 29 GLU HA 1 29 GLU HG3 . . 3.970 3.366 2.180 4.192 0.222 17 0 "[ . 1 . 2]" 1
993 1 40 TRP HB3 1 41 TRP H . . 4.920 3.251 2.781 3.711 . 0 0 "[ . 1 . 2]" 1
994 1 43 TYR HB3 1 44 ASP H . . 4.190 2.296 1.946 3.150 . 0 0 "[ . 1 . 2]" 1
995 1 45 GLU HG2 1 46 ARG HA . . 4.700 3.812 3.231 4.750 0.050 19 0 "[ . 1 . 2]" 1
996 1 47 THR MG 1 51 LEU HG . . 3.510 3.239 2.664 3.743 0.233 16 0 "[ . 1 . 2]" 1
997 1 49 ARG HA 1 49 ARG HG2 . . 3.630 2.186 2.022 2.573 . 0 0 "[ . 1 . 2]" 1
998 1 50 GLU HA 1 50 GLU HG3 . . 3.850 3.709 3.604 3.746 . 0 0 "[ . 1 . 2]" 1
999 1 91 LYS HD3 1 92 ILE H . . 5.500 3.915 2.901 4.707 . 0 0 "[ . 1 . 2]" 1
1000 1 53 ASP HA 1 56 SER HB3 . . 4.290 3.237 2.481 3.835 . 0 0 "[ . 1 . 2]" 1
1001 1 57 LYS HD2 1 57 LYS HG2 . . 2.870 2.624 2.526 2.869 . 0 0 "[ . 1 . 2]" 1
1002 1 59 LYS HA 1 59 LYS HG3 . . 3.430 2.551 2.173 3.034 . 0 0 "[ . 1 . 2]" 1
1003 1 63 GLU HB3 1 64 MET H . . 4.870 3.238 2.384 4.345 . 0 0 "[ . 1 . 2]" 1
1004 1 57 LYS HB2 1 59 LYS HG3 . . 4.270 3.755 2.710 4.384 0.114 4 0 "[ . 1 . 2]" 1
1005 1 60 LYS HB3 1 61 ASN H . . 4.790 3.668 2.938 4.120 . 0 0 "[ . 1 . 2]" 1
1006 1 65 LEU HA 1 70 LEU HA . . 4.010 2.325 1.959 2.732 . 0 0 "[ . 1 . 2]" 1
1007 1 80 GLN QB 1 92 ILE MG . . 4.070 2.480 1.952 2.820 . 0 0 "[ . 1 . 2]" 1
1008 1 82 ARG HB3 1 83 ARG H . . 4.450 3.316 2.887 3.775 . 0 0 "[ . 1 . 2]" 1
1009 1 82 ARG HB2 1 85 GLU HB2 . . 4.500 3.219 2.106 4.424 . 0 0 "[ . 1 . 2]" 1
1010 1 83 ARG HA 1 84 ASN HA . . 5.500 4.686 4.589 4.791 . 0 0 "[ . 1 . 2]" 1
1011 1 85 GLU HA 1 85 GLU HG2 . . 3.530 2.749 2.003 3.687 0.157 19 0 "[ . 1 . 2]" 1
1012 1 79 VAL QG 1 89 ARG HG3 . . 4.840 3.685 2.659 5.122 0.282 13 0 "[ . 1 . 2]" 1
1013 1 40 TRP HZ3 1 91 LYS HB2 . . 4.440 4.074 3.051 4.449 0.009 20 0 "[ . 1 . 2]" 1
1014 1 33 TYR QE 1 93 LYS QE . . 4.810 4.406 3.863 4.624 . 0 0 "[ . 1 . 2]" 1
1015 1 30 TYR HA 1 97 ILE HG13 . . 5.500 5.166 4.403 5.659 0.159 19 0 "[ . 1 . 2]" 1
1016 1 31 ALA MB 1 97 ILE HG13 . . 3.180 1.992 1.746 2.488 . 0 0 "[ . 1 . 2]" 1
1017 1 99 ILE MD 1 100 PRO HD2 . . 5.500 4.051 2.589 5.103 . 0 0 "[ . 1 . 2]" 1
1018 1 101 LYS HA 1 101 LYS HG2 . . 4.050 3.207 2.001 4.134 0.084 19 0 "[ . 1 . 2]" 1
1019 1 9 LEU H 1 10 ASP HB2 . . 5.500 4.470 3.456 5.505 0.005 2 0 "[ . 1 . 2]" 1
1020 1 42 GLN HG2 1 43 TYR H . . 4.210 2.370 1.978 3.082 . 0 0 "[ . 1 . 2]" 1
1021 1 42 GLN H 1 42 GLN HG2 . . 4.810 4.450 4.289 4.535 . 0 0 "[ . 1 . 2]" 1
1022 1 56 SER H 1 56 SER HB3 . . 3.960 2.721 2.322 3.285 . 0 0 "[ . 1 . 2]" 1
1023 1 11 LYS HB3 1 12 PRO HD2 . . 5.410 3.837 2.106 4.997 . 0 0 "[ . 1 . 2]" 1
1024 1 14 LEU HB3 1 15 LEU H . . 4.010 3.547 1.947 4.297 0.287 20 0 "[ . 1 . 2]" 1
1025 1 15 LEU HA 1 19 GLU HB3 . . 5.500 5.004 2.741 5.503 0.003 9 0 "[ . 1 . 2]" 1
1026 1 59 LYS HA 1 59 LYS QD . . 4.600 3.972 3.863 4.033 . 0 0 "[ . 1 . 2]" 1
1027 1 37 ARG HB3 1 38 ASN H . . 4.760 2.612 1.984 3.574 . 0 0 "[ . 1 . 2]" 1
1028 1 78 MET ME 1 93 LYS HA . . 3.610 2.355 1.920 2.951 . 0 0 "[ . 1 . 2]" 1
1029 1 30 TYR HA 1 96 ILE HA . . 3.610 2.055 1.868 2.773 . 0 0 "[ . 1 . 2]" 1
1030 1 35 GLU HA 1 40 TRP HA . . 4.410 2.618 2.059 3.079 . 0 0 "[ . 1 . 2]" 1
1031 1 36 GLY HA3 1 40 TRP HA . . 4.370 3.891 3.389 4.388 0.018 14 0 "[ . 1 . 2]" 1
1032 1 14 LEU QD 1 15 LEU HA . . 5.500 4.818 3.959 5.271 . 0 0 "[ . 1 . 2]" 1
1033 1 59 LYS QD 1 62 THR HB . . 5.500 4.140 3.402 4.816 . 0 0 "[ . 1 . 2]" 1
1034 1 45 GLU HA 1 48 SER HG . . 4.590 2.865 2.220 3.817 . 0 0 "[ . 1 . 2]" 1
1035 1 59 LYS HB3 1 59 LYS QD . . 3.520 2.612 2.328 2.933 . 0 0 "[ . 1 . 2]" 1
1036 1 57 LYS HE3 1 59 LYS HG3 . . 4.860 4.379 2.629 5.388 0.528 15 1 "[ . 1 + 2]" 1
1037 1 59 LYS HG2 1 60 LYS H . . 5.070 4.310 3.634 5.122 0.052 20 0 "[ . 1 . 2]" 1
1038 1 60 LYS HA 1 60 LYS HG2 . . 3.910 3.287 2.941 3.622 . 0 0 "[ . 1 . 2]" 1
1039 1 21 LYS HA 1 21 LYS HG3 . . 4.010 2.722 1.993 3.834 . 0 0 "[ . 1 . 2]" 1
1040 1 44 ASP H 1 47 THR HB . . 4.430 3.471 2.916 4.354 . 0 0 "[ . 1 . 2]" 1
1041 1 42 GLN HA 1 43 TYR HB3 . . 5.500 5.672 5.616 5.713 0.213 11 0 "[ . 1 . 2]" 1
1042 1 43 TYR HB3 1 51 LEU QD . . 5.500 4.410 3.812 4.904 . 0 0 "[ . 1 . 2]" 1
1043 1 45 GLU HA 1 49 ARG H . . 5.310 4.266 3.756 4.560 . 0 0 "[ . 1 . 2]" 1
1044 1 45 GLU HG3 1 46 ARG H . . 5.500 4.445 4.086 5.118 . 0 0 "[ . 1 . 2]" 1
1045 1 46 ARG HA 1 46 ARG HG2 . . 4.240 3.072 2.386 3.887 . 0 0 "[ . 1 . 2]" 1
1046 1 47 THR HA 1 51 LEU H . . 5.500 4.773 4.467 5.049 . 0 0 "[ . 1 . 2]" 1
1047 1 46 ARG HA 1 47 THR HA . . 4.990 4.899 4.751 4.963 . 0 0 "[ . 1 . 2]" 1
1048 1 48 SER HA 1 51 LEU QD . . 5.500 2.116 1.747 2.640 . 0 0 "[ . 1 . 2]" 1
1049 1 65 LEU MD2 1 69 PHE H . . 5.450 4.401 2.510 4.791 . 0 0 "[ . 1 . 2]" 1
1050 1 65 LEU HB3 1 65 LEU MD2 . . 3.580 2.451 2.166 2.676 . 0 0 "[ . 1 . 2]" 1
1051 1 63 GLU HG3 1 72 VAL HA . . 5.070 3.845 3.243 5.129 0.059 19 0 "[ . 1 . 2]" 1
1052 1 63 GLU HB3 1 70 LEU QD . . 4.560 3.575 2.529 5.347 0.787 19 1 "[ . 1 . +2]" 1
1053 1 54 ALA HA 1 57 LYS HE2 . . 5.500 3.973 2.838 4.991 . 0 0 "[ . 1 . 2]" 1
1054 1 32 TRP HE3 1 51 LEU QD . . 5.320 2.639 2.066 3.199 . 0 0 "[ . 1 . 2]" 1
1055 1 43 TYR QE 1 51 LEU QD . . 4.150 2.362 1.914 2.929 . 0 0 "[ . 1 . 2]" 1
1056 1 46 ARG HA 1 49 ARG H . . 4.760 3.242 2.854 4.007 . 0 0 "[ . 1 . 2]" 1
1057 1 50 GLU HG3 1 51 LEU H . . 5.500 4.971 2.726 5.334 . 0 0 "[ . 1 . 2]" 1
1058 1 46 ARG HA 1 49 ARG HG2 . . 4.330 4.069 3.401 4.333 0.003 4 0 "[ . 1 . 2]" 1
1059 1 45 GLU HG2 1 49 ARG HG3 . . 4.540 3.507 2.832 4.237 . 0 0 "[ . 1 . 2]" 1
1060 1 45 GLU HG2 1 49 ARG HG2 . . 4.830 4.453 3.552 4.832 0.002 12 0 "[ . 1 . 2]" 1
1061 1 32 TRP HB2 1 48 SER HA . . 5.500 3.231 2.743 3.862 . 0 0 "[ . 1 . 2]" 1
1062 1 48 SER QB 1 51 LEU H . . 4.600 4.292 4.237 4.329 . 0 0 "[ . 1 . 2]" 1
1063 1 47 THR HA 1 50 GLU HG2 . . 5.000 4.068 3.350 4.541 . 0 0 "[ . 1 . 2]" 1
1064 1 44 ASP HA 1 45 GLU HA . . 5.110 4.826 4.783 4.912 . 0 0 "[ . 1 . 2]" 1
1065 1 98 ASP HA 1 99 ILE MD . . 5.120 4.040 2.738 5.125 0.005 13 0 "[ . 1 . 2]" 1
1066 1 42 GLN HB2 1 43 TYR H . . 5.170 4.265 4.079 4.587 . 0 0 "[ . 1 . 2]" 1
1067 1 33 TYR QE 1 42 GLN HB3 . . 5.150 4.425 3.876 4.851 . 0 0 "[ . 1 . 2]" 1
1068 1 33 TYR QD 1 42 GLN HG3 . . 4.710 3.347 2.887 3.696 . 0 0 "[ . 1 . 2]" 1
1069 1 33 TYR QD 1 42 GLN HG2 . . 4.790 4.264 3.881 4.800 0.010 9 0 "[ . 1 . 2]" 1
1070 1 41 TRP H 1 41 TRP HD1 . . 4.400 4.302 3.962 4.442 0.042 9 0 "[ . 1 . 2]" 1
1071 1 36 GLY H 1 41 TRP HD1 . . 4.280 4.291 4.232 4.352 0.072 15 0 "[ . 1 . 2]" 1
1072 1 34 TYR QE 1 41 TRP HD1 . . 4.430 3.979 3.411 4.416 . 0 0 "[ . 1 . 2]" 1
1073 1 36 GLY HA2 1 41 TRP HD1 . . 4.140 2.898 2.008 3.575 . 0 0 "[ . 1 . 2]" 1
1074 1 32 TRP H 1 32 TRP HD1 . . 4.300 2.792 2.587 3.133 . 0 0 "[ . 1 . 2]" 1
1075 1 30 TYR QD 1 32 TRP HD1 . . 3.320 2.991 2.102 3.365 0.045 10 0 "[ . 1 . 2]" 1
1076 1 31 ALA HA 1 32 TRP HD1 . . 4.110 3.323 2.810 3.836 . 0 0 "[ . 1 . 2]" 1
1077 1 32 TRP HD1 1 48 SER HA . . 3.880 3.896 3.875 3.964 0.084 19 0 "[ . 1 . 2]" 1
1078 1 32 TRP HD1 1 52 GLU QB . . 4.250 3.564 2.893 4.025 . 0 0 "[ . 1 . 2]" 1
1079 1 32 TRP HD1 1 51 LEU QD . . 5.120 3.820 3.426 4.600 . 0 0 "[ . 1 . 2]" 1
1080 1 40 TRP HH2 1 91 LYS HB2 . . 3.500 3.286 2.236 3.597 0.097 15 0 "[ . 1 . 2]" 1
1081 1 40 TRP HH2 1 91 LYS HB3 . . 3.310 2.007 1.960 2.134 . 0 0 "[ . 1 . 2]" 1
1082 1 32 TRP HH2 1 55 PHE HB2 . . 3.910 2.511 2.269 2.996 . 0 0 "[ . 1 . 2]" 1
1083 1 40 TRP HZ3 1 91 LYS HB3 . . 4.250 3.074 2.727 3.501 . 0 0 "[ . 1 . 2]" 1
1084 1 40 TRP HZ3 1 92 ILE MG . . 4.380 3.976 3.786 4.129 . 0 0 "[ . 1 . 2]" 1
1085 1 40 TRP HZ3 1 93 LYS HG2 . . 5.260 3.261 2.862 3.657 . 0 0 "[ . 1 . 2]" 1
1086 1 40 TRP HZ3 1 93 LYS H . . 4.370 3.279 2.879 3.652 . 0 0 "[ . 1 . 2]" 1
1087 1 35 GLU H 1 40 TRP HZ3 . . 4.310 3.146 2.531 3.711 . 0 0 "[ . 1 . 2]" 1
1088 1 35 GLU HB2 1 40 TRP HZ3 . . 4.810 4.029 3.446 4.669 . 0 0 "[ . 1 . 2]" 1
1089 1 32 TRP HE3 1 92 ILE MD . . 3.630 2.424 1.962 3.159 . 0 0 "[ . 1 . 2]" 1
1090 1 32 TRP HE3 1 75 LEU QD . . 3.670 3.671 3.565 3.749 0.079 13 0 "[ . 1 . 2]" 1
1091 1 32 TRP HZ3 1 92 ILE MD . . 4.370 2.089 1.893 2.593 . 0 0 "[ . 1 . 2]" 1
1092 1 40 TRP HE3 1 41 TRP H . . 4.170 3.911 3.594 4.182 0.012 4 0 "[ . 1 . 2]" 1
1093 1 34 TYR H 1 40 TRP HE3 . . 4.150 3.482 2.855 3.935 . 0 0 "[ . 1 . 2]" 1
1094 1 35 GLU H 1 40 TRP HE3 . . 4.830 3.434 3.052 3.910 . 0 0 "[ . 1 . 2]" 1
1095 1 40 TRP HE3 1 92 ILE HA . . 4.640 3.516 3.043 3.985 . 0 0 "[ . 1 . 2]" 1
1096 1 40 TRP HA 1 40 TRP HE3 . . 4.020 3.203 2.886 3.644 . 0 0 "[ . 1 . 2]" 1
1097 1 35 GLU HA 1 40 TRP HE3 . . 4.410 3.501 3.083 4.037 . 0 0 "[ . 1 . 2]" 1
1098 1 33 TYR HB2 1 40 TRP HE3 . . 3.730 3.588 3.098 3.926 0.196 7 0 "[ . 1 . 2]" 1
1099 1 40 TRP HB3 1 40 TRP HE3 . . 3.640 2.481 2.365 2.580 . 0 0 "[ . 1 . 2]" 1
1100 1 33 TYR HB3 1 40 TRP HE3 . . 4.010 2.614 2.273 2.989 . 0 0 "[ . 1 . 2]" 1
1101 1 86 HIS HA 1 86 HIS HD2 . . 4.400 3.713 2.730 4.403 0.003 10 0 "[ . 1 . 2]" 1
1102 1 66 ILE H 1 71 TYR QE . . 4.540 4.611 4.547 4.681 0.141 10 0 "[ . 1 . 2]" 1
1103 1 69 PHE HB3 1 71 TYR QE . . 3.570 1.980 1.937 2.014 . 0 0 "[ . 1 . 2]" 1
1104 1 69 PHE HB2 1 71 TYR QE . . 3.590 2.694 2.284 3.179 . 0 0 "[ . 1 . 2]" 1
1105 1 66 ILE HB 1 71 TYR QE . . 3.320 2.755 2.540 3.118 . 0 0 "[ . 1 . 2]" 1
1106 1 71 TYR QE 1 82 ARG HB2 . . 4.580 3.993 3.135 5.213 0.633 20 1 "[ . 1 . +]" 1
1107 1 71 TYR QE 1 82 ARG HG3 . . 4.220 2.987 2.160 3.980 . 0 0 "[ . 1 . 2]" 1
1108 1 66 ILE HG13 1 71 TYR QE . . 4.250 3.558 3.117 4.158 . 0 0 "[ . 1 . 2]" 1
1109 1 71 TYR QE 1 82 ARG HG2 . . 4.530 3.458 1.987 4.525 . 0 0 "[ . 1 . 2]" 1
1110 1 66 ILE MG 1 71 TYR QE . . 4.080 3.437 3.048 4.078 . 0 0 "[ . 1 . 2]" 1
1111 1 66 ILE MD 1 71 TYR QE . . 4.600 4.002 2.263 4.739 0.139 13 0 "[ . 1 . 2]" 1
1112 1 32 TRP HB3 1 43 TYR QE . . 4.610 2.108 1.987 2.441 . 0 0 "[ . 1 . 2]" 1
1113 1 34 TYR HB2 1 43 TYR QE . . 3.730 3.867 3.152 4.075 0.345 9 0 "[ . 1 . 2]" 1
1114 1 43 TYR QE 1 92 ILE HB . . 4.250 3.439 2.856 3.703 . 0 0 "[ . 1 . 2]" 1
1115 1 43 TYR QE 1 64 MET ME . . 4.150 3.280 2.458 4.075 . 0 0 "[ . 1 . 2]" 1
1116 1 43 TYR QE 1 92 ILE MG . . 3.710 3.174 2.402 3.421 . 0 0 "[ . 1 . 2]" 1
1117 1 43 TYR QE 1 92 ILE MD . . 4.080 3.847 3.170 4.113 0.033 8 0 "[ . 1 . 2]" 1
1118 1 34 TYR HB3 1 43 TYR QE . . 4.030 2.920 2.455 3.184 . 0 0 "[ . 1 . 2]" 1
1119 1 43 TYR QE 1 47 THR MG . . 3.980 3.162 2.423 3.959 . 0 0 "[ . 1 . 2]" 1
1120 1 33 TYR QE 1 42 GLN HG3 . . 4.000 2.839 2.393 3.533 . 0 0 "[ . 1 . 2]" 1
1121 1 33 TYR QE 1 95 ASP H . . 4.040 3.997 3.480 4.098 0.058 19 0 "[ . 1 . 2]" 1
1122 1 33 TYR QE 1 95 ASP HB3 . . 3.730 2.405 1.995 3.113 . 0 0 "[ . 1 . 2]" 1
1123 1 33 TYR QE 1 95 ASP HB2 . . 3.730 3.412 2.684 3.741 0.011 15 0 "[ . 1 . 2]" 1
1124 1 33 TYR QE 1 42 GLN HB2 . . 3.530 2.855 2.393 3.396 . 0 0 "[ . 1 . 2]" 1
1125 1 31 ALA MB 1 33 TYR QE . . 3.540 2.290 1.972 2.869 . 0 0 "[ . 1 . 2]" 1
1126 1 30 TYR H 1 30 TYR QE . . 5.170 4.319 3.776 5.178 0.008 19 0 "[ . 1 . 2]" 1
1127 1 30 TYR QE 1 32 TRP HD1 . . 4.390 3.363 2.071 4.461 0.071 2 0 "[ . 1 . 2]" 1
1128 1 30 TYR QE 1 52 GLU QB . . 4.170 2.291 1.823 2.871 . 0 0 "[ . 1 . 2]" 1
1129 1 30 TYR QE 1 94 ARG QG . . 5.400 4.551 2.707 5.126 . 0 0 "[ . 1 . 2]" 1
1130 1 92 ILE HA 1 93 LYS H . . 3.210 2.364 2.267 2.476 . 0 0 "[ . 1 . 2]" 1
1131 1 40 TRP HZ3 1 92 ILE HA . . 3.500 2.223 1.998 2.480 . 0 0 "[ . 1 . 2]" 1
1132 1 92 ILE HA 1 92 ILE MG . . 3.410 2.310 2.167 2.437 . 0 0 "[ . 1 . 2]" 1
1133 1 81 TYR QE 1 83 ARG HA . . 4.680 4.384 3.636 4.735 0.055 13 0 "[ . 1 . 2]" 1
1134 1 74 ASP HB3 1 81 TYR QE . . 4.150 2.689 2.181 3.471 . 0 0 "[ . 1 . 2]" 1
1135 1 74 ASP HB2 1 81 TYR QE . . 3.730 1.994 1.954 2.180 . 0 0 "[ . 1 . 2]" 1
1136 1 79 VAL QG 1 81 TYR QE . . 3.790 3.049 2.511 3.570 . 0 0 "[ . 1 . 2]" 1
1137 1 72 VAL HB 1 81 TYR QE . . 3.960 2.717 1.986 4.228 0.268 13 0 "[ . 1 . 2]" 1
1138 1 34 TYR QE 1 43 TYR HA . . 3.560 3.376 2.918 3.580 0.020 15 0 "[ . 1 . 2]" 1
1139 1 34 TYR QE 1 41 TRP HB3 . . 3.810 2.335 2.028 2.875 . 0 0 "[ . 1 . 2]" 1
1140 1 34 TYR HB3 1 92 ILE HA . . 4.430 4.007 3.610 4.370 . 0 0 "[ . 1 . 2]" 1
1141 1 40 TRP HH2 1 92 ILE HA . . 4.420 4.356 4.100 4.445 0.025 7 0 "[ . 1 . 2]" 1
1142 1 34 TYR HB2 1 92 ILE HA . . 4.480 3.958 3.576 4.344 . 0 0 "[ . 1 . 2]" 1
1143 1 33 TYR HB3 1 92 ILE HA . . 4.970 4.937 4.629 5.189 0.219 19 0 "[ . 1 . 2]" 1
1144 1 91 LYS HB3 1 92 ILE HA . . 5.500 4.353 4.181 4.662 . 0 0 "[ . 1 . 2]" 1
1145 1 92 ILE HA 1 92 ILE HG12 . . 4.020 3.863 3.744 3.974 . 0 0 "[ . 1 . 2]" 1
1146 1 34 TYR QE 1 43 TYR QD . . 4.590 4.356 3.162 4.603 0.013 20 0 "[ . 1 . 2]" 1
1147 1 34 TYR QE 1 41 TRP HB2 . . 3.850 2.955 2.802 3.218 . 0 0 "[ . 1 . 2]" 1
1148 1 40 TRP HZ2 1 93 LYS HD3 . . 4.840 4.284 3.568 5.323 0.483 12 0 "[ . 1 . 2]" 1
1149 1 40 TRP HZ2 1 91 LYS HB3 . . 4.180 4.063 3.790 4.246 0.066 1 0 "[ . 1 . 2]" 1
1150 1 32 TRP HZ2 1 94 ARG QH2 . . 4.110 6.183 5.566 6.750 2.640 4 20 [*-*+****************] 1
1151 1 32 TRP HZ2 1 52 GLU HA . . 3.980 2.448 1.999 2.855 . 0 0 "[ . 1 . 2]" 1
1152 1 32 TRP HZ2 1 55 PHE HB2 . . 3.510 2.445 2.038 3.198 . 0 0 "[ . 1 . 2]" 1
1153 1 32 TRP HZ2 1 94 ARG HD3 . . 3.730 3.040 2.191 3.808 0.078 10 0 "[ . 1 . 2]" 1
1154 1 32 TRP HZ2 1 94 ARG HD2 . . 3.850 3.175 2.375 3.870 0.020 19 0 "[ . 1 . 2]" 1
1155 1 32 TRP HZ2 1 94 ARG HB2 . . 5.080 4.563 3.066 5.100 0.020 4 0 "[ . 1 . 2]" 1
1156 1 34 TYR HA 1 43 TYR QE . . 5.080 4.532 4.184 4.812 . 0 0 "[ . 1 . 2]" 1
1157 1 34 TYR HA 1 35 GLU H . . 3.260 2.290 2.204 2.379 . 0 0 "[ . 1 . 2]" 1
1158 1 34 TYR HA 1 40 TRP HE3 . . 4.510 2.885 2.620 3.198 . 0 0 "[ . 1 . 2]" 1
1159 1 34 TYR HA 1 40 TRP HZ3 . . 3.930 2.946 2.375 3.448 . 0 0 "[ . 1 . 2]" 1
1160 1 34 TYR HA 1 92 ILE HA . . 3.010 2.079 1.934 2.254 . 0 0 "[ . 1 . 2]" 1
1161 1 33 TYR HA 1 34 TYR HA . . 4.790 4.424 4.375 4.476 . 0 0 "[ . 1 . 2]" 1
1162 1 34 TYR HA 1 92 ILE HB . . 4.790 3.843 3.276 4.177 . 0 0 "[ . 1 . 2]" 1
1163 1 34 TYR HA 1 92 ILE MG . . 3.840 2.532 2.278 2.787 . 0 0 "[ . 1 . 2]" 1
1164 1 34 TYR HA 1 35 GLU HB2 . . 4.800 4.492 4.322 4.668 . 0 0 "[ . 1 . 2]" 1
1165 1 74 ASP H 1 80 GLN HA . . 3.970 2.340 2.134 2.802 . 0 0 "[ . 1 . 2]" 1
1166 1 80 GLN HA 1 81 TYR H . . 3.000 2.254 2.203 2.358 . 0 0 "[ . 1 . 2]" 1
1167 1 80 GLN HA 1 80 GLN HE21 . . 4.500 4.309 3.987 4.498 . 0 0 "[ . 1 . 2]" 1
1168 1 80 GLN HA 1 81 TYR HA . . 4.800 4.424 4.401 4.480 . 0 0 "[ . 1 . 2]" 1
1169 1 73 ALA HA 1 80 GLN HA . . 3.270 2.049 1.953 2.317 . 0 0 "[ . 1 . 2]" 1
1170 1 74 ASP HB2 1 80 GLN HA . . 5.500 4.139 3.663 4.791 . 0 0 "[ . 1 . 2]" 1
1171 1 80 GLN HA 1 80 GLN QG . . 3.770 3.097 2.159 3.335 . 0 0 "[ . 1 . 2]" 1
1172 1 64 MET ME 1 80 GLN HA . . 5.500 4.594 3.764 4.930 . 0 0 "[ . 1 . 2]" 1
1173 1 73 ALA MB 1 80 GLN HA . . 3.890 3.630 3.481 3.894 0.004 18 0 "[ . 1 . 2]" 1
1174 1 72 VAL H 1 80 GLN HA . . 4.900 4.684 4.463 4.933 0.033 18 0 "[ . 1 . 2]" 1
1175 1 79 VAL HA 1 80 GLN HA . . 4.740 4.384 4.329 4.569 . 0 0 "[ . 1 . 2]" 1
1176 1 80 GLN HA 1 81 TYR HB2 . . 5.500 5.541 5.470 5.593 0.093 15 0 "[ . 1 . 2]" 1
1177 1 80 GLN HA 1 92 ILE MG . . 5.500 4.097 3.748 4.561 . 0 0 "[ . 1 . 2]" 1
1178 1 72 VAL QG 1 80 GLN HA . . 5.440 4.284 3.466 4.811 . 0 0 "[ . 1 . 2]" 1
1179 1 80 GLN HA 1 81 TYR QD . . 4.540 3.662 2.532 4.027 . 0 0 "[ . 1 . 2]" 1
1180 1 81 TYR HA 1 81 TYR QD . . 4.400 3.744 3.656 3.767 . 0 0 "[ . 1 . 2]" 1
1181 1 81 TYR QD 1 83 ARG HA . . 4.560 3.678 3.324 4.401 . 0 0 "[ . 1 . 2]" 1
1182 1 81 TYR QD 1 89 ARG HB2 . . 3.940 3.122 2.735 3.550 . 0 0 "[ . 1 . 2]" 1
1183 1 81 TYR QD 1 82 ARG H . . 4.190 4.077 3.785 4.225 0.035 17 0 "[ . 1 . 2]" 1
1184 1 81 TYR H 1 81 TYR QD . . 4.000 2.920 2.155 3.096 . 0 0 "[ . 1 . 2]" 1
1185 1 79 VAL HB 1 81 TYR QD . . 4.760 4.465 4.115 4.793 0.033 16 0 "[ . 1 . 2]" 1
1186 1 34 TYR H 1 34 TYR QD . . 3.540 2.407 1.980 2.795 . 0 0 "[ . 1 . 2]" 1
1187 1 34 TYR QD 1 35 GLU H . . 3.940 3.550 3.186 3.909 . 0 0 "[ . 1 . 2]" 1
1188 1 33 TYR HA 1 34 TYR QD . . 3.650 3.427 3.062 3.672 0.022 8 0 "[ . 1 . 2]" 1
1189 1 34 TYR QD 1 43 TYR QD . . 4.330 3.631 3.091 3.909 . 0 0 "[ . 1 . 2]" 1
1190 1 71 TYR H 1 71 TYR QD . . 4.020 3.267 3.082 3.404 . 0 0 "[ . 1 . 2]" 1
1191 1 66 ILE H 1 71 TYR QD . . 4.130 2.694 2.551 3.008 . 0 0 "[ . 1 . 2]" 1
1192 1 71 TYR QD 1 72 VAL H . . 4.360 3.064 2.917 3.244 . 0 0 "[ . 1 . 2]" 1
1193 1 65 LEU HA 1 71 TYR QD . . 4.790 4.296 4.019 4.499 . 0 0 "[ . 1 . 2]" 1
1194 1 71 TYR QD 1 82 ARG HA . . 4.460 2.732 2.242 3.152 . 0 0 "[ . 1 . 2]" 1
1195 1 69 PHE HB3 1 71 TYR QD . . 4.370 2.615 2.030 3.093 . 0 0 "[ . 1 . 2]" 1
1196 1 64 MET HG2 1 71 TYR QD . . 4.760 4.247 4.019 4.501 . 0 0 "[ . 1 . 2]" 1
1197 1 71 TYR QD 1 80 GLN QB . . 3.990 3.808 3.515 3.969 . 0 0 "[ . 1 . 2]" 1
1198 1 66 ILE HB 1 71 TYR QD . . 3.580 2.216 1.979 2.804 . 0 0 "[ . 1 . 2]" 1
1199 1 66 ILE HG13 1 71 TYR QD . . 4.150 2.102 1.967 2.258 . 0 0 "[ . 1 . 2]" 1
1200 1 66 ILE HG12 1 71 TYR QD . . 4.210 2.571 2.001 3.713 . 0 0 "[ . 1 . 2]" 1
1201 1 66 ILE MG 1 71 TYR QD . . 4.190 3.608 3.383 4.107 . 0 0 "[ . 1 . 2]" 1
1202 1 66 ILE MD 1 71 TYR QD . . 4.310 3.176 2.069 3.692 . 0 0 "[ . 1 . 2]" 1
1203 1 64 MET ME 1 71 TYR QD . . 4.370 4.202 3.814 4.414 0.044 8 0 "[ . 1 . 2]" 1
1204 1 43 TYR H 1 43 TYR QD . . 3.340 2.632 1.944 3.110 . 0 0 "[ . 1 . 2]" 1
1205 1 43 TYR HA 1 43 TYR QD . . 3.420 2.608 2.254 3.091 . 0 0 "[ . 1 . 2]" 1
1206 1 43 TYR QD 1 47 THR HB . . 4.220 3.540 2.646 4.185 . 0 0 "[ . 1 . 2]" 1
1207 1 32 TRP HB3 1 43 TYR QD . . 3.320 2.942 2.244 3.368 0.048 10 0 "[ . 1 . 2]" 1
1208 1 32 TRP HB2 1 43 TYR QD . . 3.530 2.268 1.986 2.852 . 0 0 "[ . 1 . 2]" 1
1209 1 43 TYR QD 1 47 THR MG . . 3.580 2.626 2.098 3.602 0.022 19 0 "[ . 1 . 2]" 1
1210 1 43 TYR QD 1 51 LEU QD . . 3.810 2.953 2.612 3.392 . 0 0 "[ . 1 . 2]" 1
1211 1 30 TYR QD 1 32 TRP HE1 . . 4.480 3.192 2.257 4.017 . 0 0 "[ . 1 . 2]" 1
1212 1 30 TYR QD 1 31 ALA H . . 4.150 3.463 2.444 4.189 0.039 5 0 "[ . 1 . 2]" 1
1213 1 30 TYR H 1 30 TYR QD . . 3.580 2.676 2.137 3.097 . 0 0 "[ . 1 . 2]" 1
1214 1 30 TYR QD 1 94 ARG QG . . 3.880 3.223 2.527 3.580 . 0 0 "[ . 1 . 2]" 1
1215 1 33 TYR QD 1 34 TYR H . . 4.140 3.687 3.227 4.124 . 0 0 "[ . 1 . 2]" 1
1216 1 33 TYR QD 1 95 ASP H . . 4.090 2.802 2.494 3.508 . 0 0 "[ . 1 . 2]" 1
1217 1 33 TYR QD 1 42 GLN H . . 4.800 3.808 3.324 4.346 . 0 0 "[ . 1 . 2]" 1
1218 1 33 TYR QD 1 40 TRP HA . . 4.180 4.178 4.027 4.243 0.063 19 0 "[ . 1 . 2]" 1
1219 1 33 TYR QD 1 40 TRP HB3 . . 3.720 2.643 1.995 2.965 . 0 0 "[ . 1 . 2]" 1
1220 1 33 TYR QD 1 93 LYS HG3 . . 4.040 3.596 3.194 4.066 0.026 7 0 "[ . 1 . 2]" 1
1221 1 33 TYR QD 1 93 LYS HG2 . . 4.440 4.335 4.038 4.519 0.079 10 0 "[ . 1 . 2]" 1
1222 1 33 TYR H 1 33 TYR QD . . 3.870 3.113 2.487 3.528 . 0 0 "[ . 1 . 2]" 1
1223 1 33 TYR HA 1 33 TYR QD . . 4.100 3.065 2.849 3.191 . 0 0 "[ . 1 . 2]" 1
1224 1 32 TRP HA 1 33 TYR QD . . 4.240 3.330 2.905 3.829 . 0 0 "[ . 1 . 2]" 1
1225 1 33 TYR QD 1 42 GLN HA . . 3.910 3.412 3.072 3.818 . 0 0 "[ . 1 . 2]" 1
1226 1 33 TYR QD 1 95 ASP HB2 . . 4.310 2.727 2.152 3.428 . 0 0 "[ . 1 . 2]" 1
1227 1 31 ALA MB 1 33 TYR QD . . 4.250 3.327 2.899 3.681 . 0 0 "[ . 1 . 2]" 1
1228 1 69 PHE HA 1 69 PHE QD . . 4.070 2.377 2.026 3.009 . 0 0 "[ . 1 . 2]" 1
1229 1 67 ALA MB 1 69 PHE QD . . 4.630 3.453 2.766 4.172 . 0 0 "[ . 1 . 2]" 1
1230 1 55 PHE QD 1 56 SER H . . 4.030 3.550 2.755 4.000 . 0 0 "[ . 1 . 2]" 1
1231 1 55 PHE H 1 55 PHE QD . . 4.250 4.056 3.957 4.104 . 0 0 "[ . 1 . 2]" 1
1232 1 52 GLU HA 1 55 PHE QD . . 4.540 3.273 2.750 3.966 . 0 0 "[ . 1 . 2]" 1
1233 1 55 PHE HA 1 55 PHE QD . . 3.700 2.468 2.212 3.284 . 0 0 "[ . 1 . 2]" 1
1234 1 55 PHE QD 1 75 LEU HB3 . . 3.830 2.882 2.010 3.702 . 0 0 "[ . 1 . 2]" 1
1235 1 55 PHE QD 1 94 ARG HD3 . . 3.780 3.553 3.002 4.180 0.400 10 0 "[ . 1 . 2]" 1
1236 1 40 TRP H 1 40 TRP HD1 . . 3.990 3.172 2.431 3.571 . 0 0 "[ . 1 . 2]" 1
1237 1 40 TRP HB2 1 40 TRP HD1 . . 3.680 2.761 2.688 2.885 . 0 0 "[ . 1 . 2]" 1
1238 1 69 PHE QD 1 71 TYR QE . . 4.160 3.286 2.277 3.600 . 0 0 "[ . 1 . 2]" 1
1239 1 33 TYR HA 1 43 TYR QE . . 4.610 3.917 3.137 4.196 . 0 0 "[ . 1 . 2]" 1
1240 1 34 TYR QD 1 43 TYR QE . . 3.770 3.542 2.725 3.820 0.050 16 0 "[ . 1 . 2]" 1
1241 1 40 TRP HH2 1 91 LYS HD2 . . 3.700 3.259 1.979 4.218 0.518 19 1 "[ . 1 . +2]" 1
1242 1 41 TRP HA 1 41 TRP HZ3 . . 4.620 4.372 4.197 4.674 0.054 8 0 "[ . 1 . 2]" 1
1243 1 43 TYR QD 1 44 ASP H . . 3.700 3.531 3.244 3.908 0.208 4 0 "[ . 1 . 2]" 1
1244 1 32 TRP HH2 1 55 PHE QD . . 3.790 3.062 2.045 3.772 . 0 0 "[ . 1 . 2]" 1
1245 1 32 TRP HZ2 1 55 PHE QD . . 3.630 2.829 1.999 3.528 . 0 0 "[ . 1 . 2]" 1
1246 1 32 TRP HH2 1 55 PHE HB3 . . 3.930 3.829 3.476 3.954 0.024 10 0 "[ . 1 . 2]" 1
1247 1 30 TYR QE 1 32 TRP HE1 . . 5.120 2.782 1.939 3.780 . 0 0 "[ . 1 . 2]" 1
1248 1 39 GLY HA3 1 40 TRP HD1 . . 4.920 3.340 2.845 3.811 . 0 0 "[ . 1 . 2]" 1
1249 1 33 TYR HA 1 40 TRP HE3 . . 5.020 4.505 4.228 4.858 . 0 0 "[ . 1 . 2]" 1
1250 1 40 TRP HE3 1 92 ILE MG . . 5.170 4.868 4.468 5.159 . 0 0 "[ . 1 . 2]" 1
1251 1 40 TRP HH2 1 93 LYS HB3 . . 4.460 3.349 3.050 3.699 . 0 0 "[ . 1 . 2]" 1
1252 1 36 GLY HA3 1 41 TRP HD1 . . 4.950 1.988 1.965 2.012 . 0 0 "[ . 1 . 2]" 1
1253 1 33 TYR HA 1 43 TYR QD . . 4.750 3.831 3.201 4.156 . 0 0 "[ . 1 . 2]" 1
1254 1 55 PHE QD 1 56 SER HA . . 4.250 3.876 2.648 4.243 . 0 0 "[ . 1 . 2]" 1
1255 1 43 TYR QD 1 43 TYR HH . . 4.040 4.272 4.270 4.287 0.247 4 0 "[ . 1 . 2]" 1
1256 1 32 TRP HB2 1 43 TYR QE . . 3.730 3.019 2.614 3.640 . 0 0 "[ . 1 . 2]" 1
1257 1 71 TYR HA 1 71 TYR QD . . 3.650 2.891 2.785 3.003 . 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 52
_Distance_constraint_stats_list.Viol_count 553
_Distance_constraint_stats_list.Viol_total 204.613
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0152
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0098
_Distance_constraint_stats_list.Viol_average_violations_only 0.0185
_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 29 GLU 1.264 0.128 17 0 "[ . 1 . 2]"
1 31 ALA 0.686 0.050 12 0 "[ . 1 . 2]"
1 33 TYR 0.459 0.037 12 0 "[ . 1 . 2]"
1 34 TYR 1.007 0.054 15 0 "[ . 1 . 2]"
1 35 GLU 0.339 0.043 20 0 "[ . 1 . 2]"
1 36 GLY 0.205 0.038 5 0 "[ . 1 . 2]"
1 39 GLY 0.205 0.038 5 0 "[ . 1 . 2]"
1 41 TRP 1.007 0.054 15 0 "[ . 1 . 2]"
1 60 LYS 0.312 0.063 7 0 "[ . 1 . 2]"
1 62 THR 0.479 0.034 17 0 "[ . 1 . 2]"
1 64 MET 0.591 0.049 8 0 "[ . 1 . 2]"
1 66 ILE 0.398 0.027 7 0 "[ . 1 . 2]"
1 69 PHE 0.398 0.027 7 0 "[ . 1 . 2]"
1 70 LEU 0.448 0.053 11 0 "[ . 1 . 2]"
1 71 TYR 0.591 0.049 8 0 "[ . 1 . 2]"
1 72 VAL 0.919 0.055 10 0 "[ . 1 . 2]"
1 73 ALA 0.479 0.034 17 0 "[ . 1 . 2]"
1 74 ASP 0.816 0.112 7 0 "[ . 1 . 2]"
1 75 LEU 0.312 0.063 7 0 "[ . 1 . 2]"
1 78 MET 0.731 0.067 10 0 "[ . 1 . 2]"
1 79 VAL 0.816 0.112 7 0 "[ . 1 . 2]"
1 80 GLN 0.763 0.049 18 0 "[ . 1 . 2]"
1 81 TYR 0.919 0.055 10 0 "[ . 1 . 2]"
1 82 ARG 0.815 0.061 3 0 "[ . 1 . 2]"
1 83 ARG 0.448 0.053 11 0 "[ . 1 . 2]"
1 88 ARG 0.815 0.061 3 0 "[ . 1 . 2]"
1 90 ARG 0.763 0.049 18 0 "[ . 1 . 2]"
1 91 LYS 0.339 0.043 20 0 "[ . 1 . 2]"
1 92 ILE 0.731 0.067 10 0 "[ . 1 . 2]"
1 93 LYS 0.459 0.037 12 0 "[ . 1 . 2]"
1 95 ASP 0.686 0.050 12 0 "[ . 1 . 2]"
1 97 ILE 1.264 0.128 17 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 66 ILE O 1 69 PHE H . . 1.800 1.809 1.775 1.827 0.027 11 0 "[ . 1 . 2]" 2
2 1 66 ILE O 1 69 PHE N . . 2.700 2.689 2.671 2.724 0.024 12 0 "[ . 1 . 2]" 2
3 1 66 ILE H 1 69 PHE O . . 1.800 1.789 1.763 1.805 0.005 19 0 "[ . 1 . 2]" 2
4 1 66 ILE N 1 69 PHE O . . 2.700 2.701 2.682 2.727 0.027 7 0 "[ . 1 . 2]" 2
5 1 64 MET O 1 71 TYR H . . 1.800 1.787 1.754 1.833 0.033 5 0 "[ . 1 . 2]" 2
6 1 64 MET O 1 71 TYR N . . 2.700 2.707 2.655 2.740 0.040 19 0 "[ . 1 . 2]" 2
7 1 64 MET H 1 71 TYR O . . 1.800 1.802 1.755 1.821 0.021 1 0 "[ . 1 . 2]" 2
8 1 64 MET N 1 71 TYR O . . 2.700 2.697 2.678 2.749 0.049 8 0 "[ . 1 . 2]" 2
9 1 62 THR O 1 73 ALA H . . 1.800 1.796 1.763 1.826 0.026 13 0 "[ . 1 . 2]" 2
10 1 62 THR O 1 73 ALA N . . 2.700 2.707 2.686 2.734 0.034 17 0 "[ . 1 . 2]" 2
11 1 62 THR H 1 73 ALA O . . 1.800 1.799 1.750 1.832 0.032 10 0 "[ . 1 . 2]" 2
12 1 62 THR N 1 73 ALA O . . 2.700 2.698 2.676 2.730 0.030 9 0 "[ . 1 . 2]" 2
13 1 60 LYS O 1 75 LEU H . . 1.800 1.809 1.773 1.863 0.063 7 0 "[ . 1 . 2]" 2
14 1 60 LYS O 1 75 LEU N . . 2.700 2.697 2.673 2.726 0.026 16 0 "[ . 1 . 2]" 2
15 1 74 ASP H 1 79 VAL O . . 1.800 1.803 1.782 1.822 0.022 16 0 "[ . 1 . 2]" 2
16 1 74 ASP N 1 79 VAL O . . 2.700 2.678 2.602 2.713 0.013 8 0 "[ . 1 . 2]" 2
17 1 74 ASP O 1 79 VAL H . . 1.800 1.830 1.794 1.912 0.112 7 0 "[ . 1 . 2]" 2
18 1 74 ASP O 1 79 VAL N . . 2.700 2.686 2.648 2.723 0.023 1 0 "[ . 1 . 2]" 2
19 1 72 VAL H 1 81 TYR O . . 1.800 1.805 1.766 1.828 0.028 12 0 "[ . 1 . 2]" 2
20 1 72 VAL N 1 81 TYR O . . 2.700 2.689 2.656 2.717 0.017 19 0 "[ . 1 . 2]" 2
21 1 72 VAL O 1 81 TYR H . . 1.800 1.819 1.780 1.855 0.055 10 0 "[ . 1 . 2]" 2
22 1 72 VAL O 1 81 TYR N . . 2.700 2.705 2.653 2.748 0.048 18 0 "[ . 1 . 2]" 2
23 1 70 LEU O 1 83 ARG H . . 1.800 1.790 1.754 1.815 0.015 16 0 "[ . 1 . 2]" 2
24 1 70 LEU O 1 83 ARG N . . 2.700 2.718 2.692 2.753 0.053 11 0 "[ . 1 . 2]" 2
25 1 78 MET O 1 92 ILE H . . 1.800 1.778 1.756 1.808 0.008 2 0 "[ . 1 . 2]" 2
26 1 78 MET O 1 92 ILE N . . 2.700 2.736 2.691 2.767 0.067 10 0 "[ . 1 . 2]" 2
27 1 80 GLN O 1 90 ARG H . . 1.800 1.817 1.796 1.849 0.049 18 0 "[ . 1 . 2]" 2
28 1 80 GLN O 1 90 ARG N . . 2.700 2.677 2.630 2.706 0.006 19 0 "[ . 1 . 2]" 2
29 1 80 GLN H 1 90 ARG O . . 1.800 1.796 1.751 1.847 0.047 16 0 "[ . 1 . 2]" 2
30 1 80 GLN N 1 90 ARG O . . 2.700 2.708 2.654 2.743 0.043 7 0 "[ . 1 . 2]" 2
31 1 82 ARG H 1 88 ARG O . . 1.800 1.804 1.775 1.843 0.043 11 0 "[ . 1 . 2]" 2
32 1 82 ARG N 1 88 ARG O . . 2.700 2.731 2.710 2.761 0.061 3 0 "[ . 1 . 2]" 2
33 1 29 GLU O 1 97 ILE H . . 1.800 1.797 1.756 1.840 0.040 20 0 "[ . 1 . 2]" 2
34 1 29 GLU O 1 97 ILE N . . 2.700 2.706 2.647 2.754 0.054 12 0 "[ . 1 . 2]" 2
35 1 29 GLU H 1 97 ILE O . . 1.800 1.811 1.769 1.890 0.090 17 0 "[ . 1 . 2]" 2
36 1 29 GLU N 1 97 ILE O . . 2.700 2.716 2.649 2.828 0.128 17 0 "[ . 1 . 2]" 2
37 1 31 ALA O 1 95 ASP H . . 1.800 1.803 1.763 1.829 0.029 10 0 "[ . 1 . 2]" 2
38 1 31 ALA O 1 95 ASP N . . 2.700 2.711 2.673 2.750 0.050 12 0 "[ . 1 . 2]" 2
39 1 31 ALA H 1 95 ASP O . . 1.800 1.798 1.762 1.838 0.038 19 0 "[ . 1 . 2]" 2
40 1 31 ALA N 1 95 ASP O . . 2.700 2.700 2.656 2.742 0.042 7 0 "[ . 1 . 2]" 2
41 1 33 TYR O 1 93 LYS H . . 1.800 1.807 1.789 1.837 0.037 12 0 "[ . 1 . 2]" 2
42 1 33 TYR O 1 93 LYS N . . 2.700 2.701 2.687 2.729 0.029 8 0 "[ . 1 . 2]" 2
43 1 33 TYR H 1 93 LYS O . . 1.800 1.792 1.746 1.811 0.011 3 0 "[ . 1 . 2]" 2
44 1 33 TYR N 1 93 LYS O . . 2.700 2.701 2.661 2.736 0.036 8 0 "[ . 1 . 2]" 2
45 1 35 GLU H 1 91 LYS O . . 1.800 1.789 1.761 1.803 0.003 10 0 "[ . 1 . 2]" 2
46 1 35 GLU N 1 91 LYS O . . 2.700 2.716 2.688 2.743 0.043 20 0 "[ . 1 . 2]" 2
47 1 34 TYR H 1 41 TRP O . . 1.800 1.780 1.754 1.804 0.004 19 0 "[ . 1 . 2]" 2
48 1 34 TYR N 1 41 TRP O . . 2.700 2.719 2.696 2.749 0.049 8 0 "[ . 1 . 2]" 2
49 1 34 TYR O 1 41 TRP H . . 1.800 1.775 1.755 1.804 0.004 11 0 "[ . 1 . 2]" 2
50 1 34 TYR O 1 41 TRP N . . 2.700 2.730 2.701 2.754 0.054 15 0 "[ . 1 . 2]" 2
51 1 36 GLY H 1 39 GLY O . . 1.800 1.795 1.764 1.813 0.013 12 0 "[ . 1 . 2]" 2
52 1 36 GLY N 1 39 GLY O . . 2.700 2.705 2.688 2.738 0.038 5 0 "[ . 1 . 2]" 2
stop_
save_
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