NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608274 |
5gqs   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5gqs
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 1292
_Distance_constraint_stats_list.Viol_count 2782
_Distance_constraint_stats_list.Viol_total 24135.984
_Distance_constraint_stats_list.Viol_max 3.503
_Distance_constraint_stats_list.Viol_rms 0.2156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0467
_Distance_constraint_stats_list.Viol_average_violations_only 0.4338
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 18.943 1.321 18 10 "[** ** *1** * + -]"
1 2 LYS 14.089 0.567 15 5 "[ . - * *+ *]"
1 3 GLN 22.123 0.750 3 6 "[ + . - 1 * * * *]"
1 4 VAL 10.183 1.485 15 5 "[ ** - + * 2]"
1 5 LEU 18.087 0.933 9 9 "[*- .* *+1*** . *]"
1 6 VAL 3.805 0.291 9 0 "[ . 1 . 2]"
1 7 ALA 3.206 0.512 3 2 "[ -+ . 1 . 2]"
1 8 CYS 2.297 0.638 17 2 "[ . 1 -. + 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.003 0.003 8 0 "[ . 1 . 2]"
1 13 ALA 0.003 0.003 8 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 1.989 0.638 17 2 "[ . 1 -. + 2]"
1 16 THR 0.713 0.139 1 0 "[ . 1 . 2]"
1 17 VAL 10.441 0.550 1 19 "[+-********* ********]"
1 18 VAL 5.549 0.639 6 1 "[ .+ 1 . 2]"
1 19 ASN 0.632 0.139 1 0 "[ . 1 . 2]"
1 20 ASN 19.898 0.639 6 1 "[ .+ 1 . 2]"
1 21 ALA 11.344 0.747 7 14 "[****.*+ *** - * ** *]"
1 22 ILE 18.435 0.895 12 15 "[** ***** - +****** 2]"
1 23 GLU 29.123 0.510 10 3 "[ .- + * . 2]"
1 24 GLU 0.409 0.179 20 0 "[ . 1 . 2]"
1 25 MET 75.521 2.223 14 20 [**-**********+******]
1 26 ALA 37.000 0.798 8 20 [*******+-***********]
1 27 LYS 4.121 0.348 11 0 "[ . 1 . 2]"
1 28 GLU 1.257 0.086 20 0 "[ . 1 . 2]"
1 29 HIS 6.671 0.844 1 3 "[+ * . 1- . 2]"
1 30 ASN 8.232 0.844 1 3 "[+ * . 1- . 2]"
1 31 ILE 47.295 0.831 20 20 [*************-*****+]
1 32 LYS 3.229 0.704 12 2 "[ . 1 + . -]"
1 33 VAL 57.336 3.225 8 19 "[-******+********** *]"
1 34 ASP 29.389 1.321 18 18 "[************ ***-+ *]"
1 35 ILE 16.301 0.801 13 3 "[ .- * + . 2]"
1 36 LYS 19.892 0.750 3 5 "[ + . * 1 * -* 2]"
1 37 GLN 3.790 0.801 13 1 "[ . 1 + . 2]"
1 38 ILE 12.861 0.421 2 0 "[ . 1 . 2]"
1 39 LYS 1.634 0.453 8 0 "[ . 1 . 2]"
1 40 ILE 53.300 3.259 20 19 "[*-*************** *+]"
1 41 THR 0.280 0.074 9 0 "[ . 1 . 2]"
1 42 GLU 0.794 0.453 8 0 "[ . 1 . 2]"
1 43 VAL 10.157 0.536 6 1 "[ .+ 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 33.206 0.608 9 12 "[* * .** +*** - ***2]"
1 47 GLU 13.178 0.323 2 0 "[ . 1 . 2]"
1 48 ASP 7.741 0.606 12 2 "[ . 1 + . - 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 15.959 0.767 20 14 "[*** .****** - ***+]"
1 51 ASP 11.940 0.634 11 6 "[ ** . - 1+ * . *]"
1 52 LEU 28.525 1.964 3 14 "[* +******1 * *- ***]"
1 53 LEU 75.015 1.520 9 20 [********+*-*********]
1 54 VAL 4.763 0.570 12 2 "[ . 1 + .- 2]"
1 55 THR 36.681 3.157 20 19 "[***************-* *+]"
1 56 THR 2.877 0.268 2 0 "[ . 1 . 2]"
1 57 ALA 9.419 3.259 20 5 "[* . -1 * . *+]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 39.126 3.365 6 15 "[****.+* -** **** **]"
1 60 LYS 4.530 0.986 1 4 "[+ . - *1 .* 2]"
1 61 LYS 31.563 3.365 6 11 "[* *.+* -* *** **]"
1 62 GLU 1.021 0.165 10 0 "[ . 1 . 2]"
1 63 TYR 46.476 1.571 6 20 [*****+***********-**]
1 64 LYS 14.816 0.914 19 19 "[* ***********-****+*]"
1 65 PHE 30.869 1.160 13 19 "[******** ***+****-**]"
1 66 PRO 16.887 0.634 11 3 "[ * . - 1+ . 2]"
1 67 VAL 27.707 1.431 14 14 "[****.*** -***+* * 2]"
1 68 ILE 81.785 1.520 9 20 [******-*+***********]
1 69 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 3.147 0.493 13 0 "[ . 1 . 2]"
1 71 ARG 9.676 0.891 15 8 "[* - .* ** + ** 2]"
1 72 ASN 35.601 2.151 13 20 [************+*******]
1 73 PHE 108.778 1.840 2 20 [-+******************]
1 74 LEU 11.774 0.891 15 8 "[- * .* ** + ** 2]"
1 75 THR 54.503 2.944 17 19 "[*** ********-***+***]"
1 76 GLY 113.352 3.503 9 20 [********+-**********]
1 77 ILE 55.941 2.663 7 19 "[*-****+********** **]"
1 78 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 212.564 3.503 9 20 [********+-**********]
1 80 GLU 5.670 0.978 7 5 "[ * - +* 1 * . 2]"
1 81 GLU 0.013 0.010 17 0 "[ . 1 . 2]"
1 82 THR 12.476 1.069 1 6 "[+-* * * 1 . *2]"
1 83 LYS 42.750 1.107 7 19 "[******+*****-**** **]"
1 84 GLN 84.764 1.687 12 17 "[*-* ****** +**** ***]"
1 85 GLN 54.429 1.687 12 17 "[*** **-*** +**** ***]"
1 86 ILE 61.563 1.650 15 20 [**************+***-*]
1 87 LEU 106.946 2.223 14 20 [*************+******]
1 88 THR 108.699 1.839 11 20 [**-*******+*********]
1 89 GLU 45.761 1.964 3 20 [**+***-*************]
1 90 LEU 60.363 3.225 8 20 [******-+************]
1 91 GLN 33.793 0.734 17 18 "[****-******** **+**2]"
1 92 LYS 5.593 0.563 2 7 "[ +* . ** 1- . * *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 65 PHE HA 1 66 PRO QD . . 3.230 2.132 2.127 2.152 . 0 0 "[ . 1 . 2]" 1
2 1 54 VAL QG 1 70 ALA HA . . 4.560 3.132 2.610 3.737 . 0 0 "[ . 1 . 2]" 1
3 1 3 GLN HB3 1 50 ALA HA . . 3.590 2.227 2.000 2.517 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN HB2 1 50 ALA HA . . 4.170 3.860 3.508 4.174 0.004 20 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 2 LYS H . . 3.230 2.225 2.144 2.404 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HA 1 33 VAL HA . . 4.600 4.275 3.512 4.601 0.001 2 0 "[ . 1 . 2]" 1
7 1 1 MET HA 1 32 LYS QB . . 3.440 2.516 1.997 3.373 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET HA 1 2 LYS HG2 . . 4.390 4.040 3.554 4.394 0.004 10 0 "[ . 1 . 2]" 1
9 1 26 ALA HA 1 29 HIS H . . 4.700 3.470 3.238 3.677 . 0 0 "[ . 1 . 2]" 1
10 1 90 LEU HA 1 90 LEU HG . . 4.240 2.889 2.425 3.657 . 0 0 "[ . 1 . 2]" 1
11 1 87 LEU HA 1 87 LEU HG . . 4.070 2.981 2.773 3.295 . 0 0 "[ . 1 . 2]" 1
12 1 83 LYS HA 1 86 ILE MD . . 3.680 2.062 1.908 2.743 . 0 0 "[ . 1 . 2]" 1
13 1 83 LYS HA 1 83 LYS HD3 . . 4.370 3.505 2.761 4.040 . 0 0 "[ . 1 . 2]" 1
14 1 15 SER QB 1 16 THR H . . 5.000 3.876 3.343 4.058 . 0 0 "[ . 1 . 2]" 1
15 1 15 SER QB 1 18 VAL H . . 5.500 4.564 3.524 5.319 . 0 0 "[ . 1 . 2]" 1
16 1 12 ILE HA 1 12 ILE MG . . 3.600 2.584 2.230 3.197 . 0 0 "[ . 1 . 2]" 1
17 1 53 LEU HG 1 55 THR HB . . 4.120 3.677 3.260 4.121 0.001 10 0 "[ . 1 . 2]" 1
18 1 7 ALA H 1 55 THR HB . . 4.640 3.085 2.490 3.710 . 0 0 "[ . 1 . 2]" 1
19 1 74 LEU H 1 75 THR HB . . 5.500 5.471 5.197 5.620 0.120 7 0 "[ . 1 . 2]" 1
20 1 16 THR HA 1 19 ASN H . . 4.730 3.849 3.570 4.062 . 0 0 "[ . 1 . 2]" 1
21 1 16 THR HA 1 19 ASN QB . . 3.660 3.023 2.803 3.159 . 0 0 "[ . 1 . 2]" 1
22 1 17 VAL HA 1 20 ASN QB . . 3.870 2.586 2.364 2.864 . 0 0 "[ . 1 . 2]" 1
23 1 17 VAL HA 1 17 VAL QG . . 3.230 2.081 2.048 2.149 . 0 0 "[ . 1 . 2]" 1
24 1 14 THR HA 1 14 THR MG . . 3.280 2.515 2.019 3.205 . 0 0 "[ . 1 . 2]" 1
25 1 79 ILE HA 1 82 THR HB . . 3.920 3.458 2.213 4.149 0.229 18 0 "[ . 1 . 2]" 1
26 1 72 ASN QD 1 79 ILE HA . . 4.770 3.354 1.897 4.469 . 0 0 "[ . 1 . 2]" 1
27 1 72 ASN QB 1 79 ILE HA . . 4.010 3.831 3.080 4.256 0.246 7 0 "[ . 1 . 2]" 1
28 1 86 ILE HA 1 86 ILE QG . . 3.890 2.326 2.273 2.390 . 0 0 "[ . 1 . 2]" 1
29 1 43 VAL HA 1 43 VAL MG1 . . 3.640 3.052 2.217 3.203 . 0 0 "[ . 1 . 2]" 1
30 1 38 ILE HG13 1 43 VAL HA . . 3.480 2.849 2.461 3.265 . 0 0 "[ . 1 . 2]" 1
31 1 65 PHE HB2 1 66 PRO QD . . 3.680 1.964 1.947 1.968 . 0 0 "[ . 1 . 2]" 1
32 1 65 PHE HB3 1 66 PRO QD . . 4.620 2.863 2.761 2.891 . 0 0 "[ . 1 . 2]" 1
33 1 65 PHE QE 1 66 PRO QD . . 5.500 5.715 5.704 5.744 0.244 17 0 "[ . 1 . 2]" 1
34 1 65 PHE QD 1 66 PRO QD . . 5.500 3.817 3.799 3.867 . 0 0 "[ . 1 . 2]" 1
35 1 52 LEU QD 1 66 PRO QD . . 4.820 2.907 2.414 3.217 . 0 0 "[ . 1 . 2]" 1
36 1 46 TYR HA 1 46 TYR QD . . 3.940 2.116 2.027 2.353 . 0 0 "[ . 1 . 2]" 1
37 1 8 CYS HA 1 56 THR MG . . 4.000 3.023 2.050 4.002 0.002 12 0 "[ . 1 . 2]" 1
38 1 8 CYS HA 1 56 THR HB . . 5.400 5.185 4.713 5.506 0.106 8 0 "[ . 1 . 2]" 1
39 1 7 ALA H 1 55 THR HA . . 3.980 3.436 2.941 3.937 . 0 0 "[ . 1 . 2]" 1
40 1 33 VAL HA 1 33 VAL MG1 . . 3.520 2.789 2.204 3.202 . 0 0 "[ . 1 . 2]" 1
41 1 66 PRO QB 1 67 VAL HA . . 4.590 4.804 4.708 4.862 0.272 9 0 "[ . 1 . 2]" 1
42 1 54 VAL HA 1 68 ILE H . . 3.900 2.837 2.549 3.003 . 0 0 "[ . 1 . 2]" 1
43 1 54 VAL HA 1 68 ILE HB . . 3.880 3.175 2.579 3.539 . 0 0 "[ . 1 . 2]" 1
44 1 54 VAL HA 1 54 VAL QG . . 3.170 2.083 2.038 2.143 . 0 0 "[ . 1 . 2]" 1
45 1 59 THR HA 1 59 THR MG . . 3.500 2.555 2.014 3.207 . 0 0 "[ . 1 . 2]" 1
46 1 4 VAL HA 1 4 VAL QG . . 3.090 2.072 2.043 2.118 . 0 0 "[ . 1 . 2]" 1
47 1 23 GLU HA 1 26 ALA MB . . 3.640 2.670 2.253 3.134 . 0 0 "[ . 1 . 2]" 1
48 1 23 GLU HA 1 35 ILE MD . . 3.660 2.039 1.892 2.328 . 0 0 "[ . 1 . 2]" 1
49 1 23 GLU HA 1 27 LYS H . . 4.670 4.116 3.722 4.494 . 0 0 "[ . 1 . 2]" 1
50 1 88 THR MG 1 89 GLU HA . . 4.750 3.763 3.559 4.216 . 0 0 "[ . 1 . 2]" 1
51 1 63 TYR HA 1 63 TYR QD . . 4.580 2.358 2.013 2.914 . 0 0 "[ . 1 . 2]" 1
52 1 28 GLU HA 1 29 HIS HA . . 4.980 4.699 4.664 4.737 . 0 0 "[ . 1 . 2]" 1
53 1 29 HIS HA 1 30 ASN HD21 . . 4.760 3.869 3.279 5.604 0.844 1 3 "[+ * . 1- . 2]" 1
54 1 56 THR HB 1 71 ARG HA . . 4.570 3.813 3.027 4.574 0.004 1 0 "[ . 1 . 2]" 1
55 1 71 ARG HA 1 71 ARG HD2 . . 4.870 3.105 2.012 4.734 . 0 0 "[ . 1 . 2]" 1
56 1 40 ILE HA 1 40 ILE MD . . 2.950 2.172 1.967 3.002 0.052 8 0 "[ . 1 . 2]" 1
57 1 38 ILE MD 1 40 ILE HA . . 4.410 4.574 4.150 4.723 0.313 7 0 "[ . 1 . 2]" 1
58 1 5 LEU HB3 1 38 ILE MD . . 3.690 1.960 1.879 2.312 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU HB3 1 53 LEU HA . . 5.020 4.591 4.313 5.025 0.005 17 0 "[ . 1 . 2]" 1
60 1 4 VAL HA 1 52 LEU HB2 . . 4.840 3.977 3.020 4.848 0.008 8 0 "[ . 1 . 2]" 1
61 1 4 VAL QG 1 52 LEU HB3 . . 3.640 2.100 1.737 2.469 . 0 0 "[ . 1 . 2]" 1
62 1 4 VAL HA 1 52 LEU HB3 . . 4.840 3.820 3.112 4.840 . 0 0 "[ . 1 . 2]" 1
63 1 77 ILE HB 1 77 ILE MD . . 3.620 2.494 2.047 3.219 . 0 0 "[ . 1 . 2]" 1
64 1 75 THR HA 1 77 ILE MD . . 5.500 5.533 3.419 8.163 2.663 7 7 "[* .*+ 1 *- * *]" 1
65 1 82 THR MG 1 86 ILE MD . . 3.510 1.908 1.736 2.114 . 0 0 "[ . 1 . 2]" 1
66 1 68 ILE MD 1 86 ILE QG . . 3.180 2.471 1.753 3.517 0.337 11 0 "[ . 1 . 2]" 1
67 1 68 ILE MD 1 85 GLN QB . . 3.730 3.600 2.517 4.475 0.745 7 2 "[ . + 1 -. 2]" 1
68 1 68 ILE MD 1 86 ILE HA . . 3.410 3.425 2.142 4.291 0.881 15 8 "[* **. - 1* +* *2]" 1
69 1 68 ILE HA 1 68 ILE MD . . 4.080 2.725 1.969 3.868 . 0 0 "[ . 1 . 2]" 1
70 1 73 PHE HZ 1 86 ILE MD . . 4.160 4.291 3.794 4.696 0.536 19 1 "[ . 1 . +2]" 1
71 1 86 ILE H 1 86 ILE MD . . 3.860 2.332 1.958 2.612 . 0 0 "[ . 1 . 2]" 1
72 1 22 ILE HA 1 22 ILE MD . . 4.000 2.007 1.949 2.123 . 0 0 "[ . 1 . 2]" 1
73 1 22 ILE H 1 22 ILE MD . . 4.530 3.139 2.926 3.347 . 0 0 "[ . 1 . 2]" 1
74 1 79 ILE HB 1 79 ILE MD . . 3.410 2.398 2.320 2.443 . 0 0 "[ . 1 . 2]" 1
75 1 31 ILE MD 1 91 GLN HG2 . . 4.340 2.853 2.088 4.346 0.006 18 0 "[ . 1 . 2]" 1
76 1 29 HIS HB3 1 31 ILE MD . . 3.770 2.140 1.986 2.298 . 0 0 "[ . 1 . 2]" 1
77 1 29 HIS HB2 1 31 ILE MD . . 3.770 2.640 2.535 2.768 . 0 0 "[ . 1 . 2]" 1
78 1 26 ALA HA 1 31 ILE MD . . 3.970 3.897 3.839 3.913 . 0 0 "[ . 1 . 2]" 1
79 1 31 ILE MD 1 91 GLN HA . . 4.110 4.121 2.861 4.357 0.247 10 0 "[ . 1 . 2]" 1
80 1 5 LEU HB2 1 38 ILE MD . . 4.060 3.225 2.915 3.481 . 0 0 "[ . 1 . 2]" 1
81 1 38 ILE HB 1 38 ILE MD . . 3.570 3.226 3.221 3.228 . 0 0 "[ . 1 . 2]" 1
82 1 38 ILE MD 1 43 VAL HB . . 3.940 2.965 2.035 4.148 0.208 3 0 "[ . 1 . 2]" 1
83 1 38 ILE MD 1 43 VAL HA . . 4.220 3.466 2.765 3.798 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU HA 1 38 ILE MD . . 4.590 3.430 3.196 4.107 . 0 0 "[ . 1 . 2]" 1
85 1 38 ILE MD 1 46 TYR QD . . 5.360 4.130 3.646 4.361 . 0 0 "[ . 1 . 2]" 1
86 1 38 ILE MD 1 46 TYR QE . . 5.500 5.332 4.907 5.438 . 0 0 "[ . 1 . 2]" 1
87 1 35 ILE HB 1 35 ILE MD . . 3.220 2.311 2.032 2.455 . 0 0 "[ . 1 . 2]" 1
88 1 23 GLU HG3 1 35 ILE MD . . 3.910 4.335 3.953 4.420 0.510 10 3 "[ .- + * . 2]" 1
89 1 23 GLU H 1 35 ILE MD . . 3.860 2.621 2.211 2.838 . 0 0 "[ . 1 . 2]" 1
90 1 22 ILE H 1 35 ILE MD . . 4.600 4.250 3.803 4.608 0.008 8 0 "[ . 1 . 2]" 1
91 1 40 ILE HB 1 40 ILE MD . . 3.590 2.552 2.202 3.228 . 0 0 "[ . 1 . 2]" 1
92 1 40 ILE MD 1 43 VAL HB . . 5.010 4.430 2.761 5.051 0.041 12 0 "[ . 1 . 2]" 1
93 1 79 ILE MG 1 83 LYS QE . . 4.480 3.843 2.351 4.494 0.014 19 0 "[ . 1 . 2]" 1
94 1 79 ILE MG 1 82 THR HB . . 5.250 3.721 2.973 4.363 . 0 0 "[ . 1 . 2]" 1
95 1 73 PHE HA 1 79 ILE MG . . 4.340 5.281 4.992 5.511 1.171 11 20 [**********+********-] 1
96 1 73 PHE HZ 1 79 ILE MG . . 4.650 2.135 1.916 2.806 . 0 0 "[ . 1 . 2]" 1
97 1 73 PHE QE 1 79 ILE MG . . 4.690 2.274 1.953 3.034 . 0 0 "[ . 1 . 2]" 1
98 1 73 PHE HD2 1 79 ILE MG . . 4.700 4.095 3.633 4.597 . 0 0 "[ . 1 . 2]" 1
99 1 5 LEU HG 1 50 ALA MB . . 3.400 3.041 1.896 4.167 0.767 20 6 "[*- .* * 1* . +]" 1
100 1 46 TYR HB2 1 50 ALA MB . . 4.390 4.091 3.758 4.395 0.005 5 0 "[ . 1 . 2]" 1
101 1 46 TYR HB3 1 50 ALA MB . . 3.920 2.752 2.533 3.068 . 0 0 "[ . 1 . 2]" 1
102 1 46 TYR HA 1 50 ALA MB . . 4.520 3.756 3.283 4.040 . 0 0 "[ . 1 . 2]" 1
103 1 3 GLN HB3 1 50 ALA MB . . 4.520 3.489 2.735 4.000 . 0 0 "[ . 1 . 2]" 1
104 1 46 TYR QD 1 50 ALA MB . . 3.570 4.069 3.956 4.178 0.608 9 11 "[* * .** +** - ***2]" 1
105 1 68 ILE HG12 1 68 ILE MG . . 3.520 2.748 1.964 3.192 . 0 0 "[ . 1 . 2]" 1
106 1 68 ILE MG 1 86 ILE QG . . 3.610 2.613 1.893 3.293 . 0 0 "[ . 1 . 2]" 1
107 1 68 ILE MG 1 85 GLN QB . . 4.260 3.524 2.784 4.054 . 0 0 "[ . 1 . 2]" 1
108 1 68 ILE MG 1 86 ILE HA . . 4.540 4.704 3.905 5.285 0.745 2 4 "[ + *. 1 - * 2]" 1
109 1 77 ILE HA 1 77 ILE MG . . 3.500 2.243 2.058 2.365 . 0 0 "[ . 1 . 2]" 1
110 1 86 ILE HA 1 86 ILE MG . . 3.430 2.344 2.271 2.415 . 0 0 "[ . 1 . 2]" 1
111 1 86 ILE H 1 86 ILE MG . . 4.640 3.764 3.760 3.772 . 0 0 "[ . 1 . 2]" 1
112 1 31 ILE MG 1 32 LYS HA . . 4.230 4.021 3.966 4.080 . 0 0 "[ . 1 . 2]" 1
113 1 31 ILE HA 1 31 ILE MG . . 3.360 2.244 2.190 2.304 . 0 0 "[ . 1 . 2]" 1
114 1 38 ILE HA 1 38 ILE MG . . 3.130 2.511 2.467 2.548 . 0 0 "[ . 1 . 2]" 1
115 1 38 ILE MG 1 46 TYR QD . . 4.830 2.895 2.589 3.916 . 0 0 "[ . 1 . 2]" 1
116 1 38 ILE H 1 38 ILE MG . . 3.750 2.727 2.645 2.796 . 0 0 "[ . 1 . 2]" 1
117 1 40 ILE HG12 1 40 ILE MG . . 3.370 2.552 2.140 3.202 . 0 0 "[ . 1 . 2]" 1
118 1 40 ILE HG13 1 40 ILE MG . . 3.370 2.403 2.335 2.625 . 0 0 "[ . 1 . 2]" 1
119 1 54 VAL HA 1 55 THR MG . . 4.460 3.676 3.486 3.859 . 0 0 "[ . 1 . 2]" 1
120 1 54 VAL QG 1 70 ALA MB . . 2.980 1.978 1.812 2.306 . 0 0 "[ . 1 . 2]" 1
121 1 18 VAL MG2 1 70 ALA MB . . 4.410 3.061 2.511 3.456 . 0 0 "[ . 1 . 2]" 1
122 1 70 ALA MB 1 73 PHE HD1 . . 4.160 2.772 2.075 3.646 . 0 0 "[ . 1 . 2]" 1
123 1 40 ILE MD 1 57 ALA MB . . 3.800 3.836 2.579 7.059 3.259 20 5 "[* . -1 * . *+]" 1
124 1 26 ALA MB 1 33 VAL MG2 . . 3.830 3.121 1.882 3.795 . 0 0 "[ . 1 . 2]" 1
125 1 18 VAL HA 1 21 ALA MB . . 3.430 2.800 2.485 3.285 . 0 0 "[ . 1 . 2]" 1
126 1 21 ALA MB 1 73 PHE HZ . . 3.910 4.476 4.275 4.657 0.747 7 14 "[****.*+ *** - * ** *]" 1
127 1 20 ASN H 1 21 ALA MB . . 4.800 4.397 4.258 4.482 . 0 0 "[ . 1 . 2]" 1
128 1 7 ALA MB 1 40 ILE HB . . 3.850 3.821 3.183 4.362 0.512 3 2 "[ -+ . 1 . 2]" 1
129 1 7 ALA MB 1 55 THR HB . . 3.810 2.645 1.913 3.615 . 0 0 "[ . 1 . 2]" 1
130 1 7 ALA MB 1 40 ILE HA . . 3.920 2.655 1.941 3.690 . 0 0 "[ . 1 . 2]" 1
131 1 7 ALA H 1 7 ALA MB . . 3.670 2.375 2.219 2.571 . 0 0 "[ . 1 . 2]" 1
132 1 26 ALA MB 1 33 VAL MG1 . . 3.830 2.617 1.887 3.794 . 0 0 "[ . 1 . 2]" 1
133 1 33 VAL H 1 33 VAL MG1 . . 3.400 2.762 1.946 3.881 0.481 9 0 "[ . 1 . 2]" 1
134 1 54 VAL H 1 54 VAL QG . . 3.910 2.686 2.421 2.934 . 0 0 "[ . 1 . 2]" 1
135 1 4 VAL QG 1 52 LEU HB2 . . 3.640 2.295 1.780 3.188 . 0 0 "[ . 1 . 2]" 1
136 1 3 GLN HA 1 4 VAL QG . . 4.150 3.765 3.616 3.891 . 0 0 "[ . 1 . 2]" 1
137 1 5 LEU HA 1 5 LEU MD1 . . 4.700 3.241 1.966 3.928 . 0 0 "[ . 1 . 2]" 1
138 1 5 LEU MD1 1 46 TYR HB3 . . 4.190 2.340 1.905 3.411 . 0 0 "[ . 1 . 2]" 1
139 1 5 LEU MD1 1 46 TYR QD . . 4.360 3.328 2.803 4.286 . 0 0 "[ . 1 . 2]" 1
140 1 18 VAL HA 1 18 VAL MG2 . . 3.450 2.380 2.291 2.418 . 0 0 "[ . 1 . 2]" 1
141 1 87 LEU HB2 1 87 LEU MD2 . . 3.550 2.487 2.288 2.675 . 0 0 "[ . 1 . 2]" 1
142 1 87 LEU HB2 1 87 LEU MD1 . . 3.550 2.212 2.002 2.364 . 0 0 "[ . 1 . 2]" 1
143 1 5 LEU MD2 1 46 TYR HB3 . . 4.190 2.516 1.879 3.264 . 0 0 "[ . 1 . 2]" 1
144 1 5 LEU MD2 1 46 TYR QD . . 4.360 3.172 2.661 3.895 . 0 0 "[ . 1 . 2]" 1
145 1 5 LEU HA 1 5 LEU MD2 . . 4.700 2.765 1.945 3.802 . 0 0 "[ . 1 . 2]" 1
146 1 53 LEU MD2 1 55 THR HB . . 4.240 3.888 3.389 4.243 0.003 15 0 "[ . 1 . 2]" 1
147 1 53 LEU MD2 1 65 PHE QE . . 4.640 2.002 1.890 2.368 . 0 0 "[ . 1 . 2]" 1
148 1 22 ILE HA 1 22 ILE HG13 . . 4.110 3.702 3.689 3.739 . 0 0 "[ . 1 . 2]" 1
149 1 85 GLN H 1 85 GLN QB . . 2.930 2.559 2.474 2.621 . 0 0 "[ . 1 . 2]" 1
150 1 8 CYS HB2 1 15 SER QB . . 4.310 3.454 1.975 4.310 0.000 5 0 "[ . 1 . 2]" 1
151 1 8 CYS HB2 1 56 THR MG . . 4.240 3.325 2.444 4.135 . 0 0 "[ . 1 . 2]" 1
152 1 8 CYS HB3 1 56 THR MG . . 4.240 3.611 2.604 4.256 0.016 2 0 "[ . 1 . 2]" 1
153 1 8 CYS HB3 1 15 SER QB . . 4.310 2.954 1.980 4.101 . 0 0 "[ . 1 . 2]" 1
154 1 58 MET ME 1 58 MET HG2 . . 4.010 2.646 2.035 3.376 . 0 0 "[ . 1 . 2]" 1
155 1 58 MET ME 1 58 MET HG3 . . 4.010 2.565 2.012 3.281 . 0 0 "[ . 1 . 2]" 1
156 1 71 ARG HA 1 71 ARG HD3 . . 4.870 3.676 2.080 4.581 . 0 0 "[ . 1 . 2]" 1
157 1 26 ALA HA 1 31 ILE HB . . 3.730 4.320 4.034 4.437 0.707 13 18 "[ *******-***+*.*****]" 1
158 1 87 LEU H 1 87 LEU HB3 . . 3.960 2.573 2.314 2.859 . 0 0 "[ . 1 . 2]" 1
159 1 19 ASN QB 1 35 ILE MD . . 4.800 4.163 3.571 4.488 . 0 0 "[ . 1 . 2]" 1
160 1 19 ASN QB 1 20 ASN H . . 3.330 2.505 2.269 2.641 . 0 0 "[ . 1 . 2]" 1
161 1 90 LEU H 1 90 LEU HG . . 4.490 3.756 2.097 4.583 0.093 9 0 "[ . 1 . 2]" 1
162 1 82 THR HA 1 85 GLN QB . . 3.770 3.491 3.038 3.844 0.074 19 0 "[ . 1 . 2]" 1
163 1 85 GLN QB 1 86 ILE MD . . 4.450 3.057 2.692 3.603 . 0 0 "[ . 1 . 2]" 1
164 1 39 LYS H 1 42 GLU HB3 . . 4.500 2.915 2.156 3.790 . 0 0 "[ . 1 . 2]" 1
165 1 91 GLN H 1 91 GLN HG3 . . 4.420 2.342 1.911 4.632 0.212 18 0 "[ . 1 . 2]" 1
166 1 5 LEU HA 1 36 LYS HB2 . . 4.350 3.163 2.835 3.470 . 0 0 "[ . 1 . 2]" 1
167 1 5 LEU HA 1 36 LYS HB3 . . 4.840 2.540 1.999 3.276 . 0 0 "[ . 1 . 2]" 1
168 1 2 LYS HB3 1 4 VAL QG . . 4.130 2.919 2.609 3.364 . 0 0 "[ . 1 . 2]" 1
169 1 5 LEU MD2 1 46 TYR HB2 . . 4.420 3.131 2.192 4.043 . 0 0 "[ . 1 . 2]" 1
170 1 5 LEU MD1 1 46 TYR HB2 . . 4.420 2.948 1.958 4.316 . 0 0 "[ . 1 . 2]" 1
171 1 17 VAL QG 1 73 PHE QB . . 4.090 3.899 3.631 3.996 . 0 0 "[ . 1 . 2]" 1
172 1 73 PHE H 1 73 PHE QB . . 3.120 2.339 2.253 2.413 . 0 0 "[ . 1 . 2]" 1
173 1 24 GLU HA 1 24 GLU HG3 . . 4.190 3.000 2.364 3.733 . 0 0 "[ . 1 . 2]" 1
174 1 18 VAL HA 1 18 VAL MG1 . . 3.450 2.275 2.198 2.354 . 0 0 "[ . 1 . 2]" 1
175 1 55 THR MG 1 69 ASN HA . . 4.370 3.766 3.025 4.081 . 0 0 "[ . 1 . 2]" 1
176 1 52 LEU QD 1 53 LEU HA . . 5.500 3.980 3.079 4.815 . 0 0 "[ . 1 . 2]" 1
177 1 68 ILE MG 1 69 ASN HA . . 5.500 4.207 3.914 4.494 . 0 0 "[ . 1 . 2]" 1
178 1 5 LEU HB2 1 53 LEU HA . . 3.830 3.239 2.849 3.634 . 0 0 "[ . 1 . 2]" 1
179 1 3 GLN HA 1 34 ASP HB2 . . 4.300 3.332 2.018 4.173 . 0 0 "[ . 1 . 2]" 1
180 1 37 GLN HA 1 38 ILE MD . . 4.120 3.155 3.066 3.327 . 0 0 "[ . 1 . 2]" 1
181 1 20 ASN QB 1 21 ALA HA . . 4.500 3.932 3.889 3.991 . 0 0 "[ . 1 . 2]" 1
182 1 68 ILE HA 1 68 ILE MG . . 3.440 2.281 2.201 2.366 . 0 0 "[ . 1 . 2]" 1
183 1 73 PHE HA 1 79 ILE HG12 . . 4.490 3.665 3.391 3.958 . 0 0 "[ . 1 . 2]" 1
184 1 73 PHE HA 1 79 ILE HG13 . . 4.490 4.258 3.617 4.792 0.302 18 0 "[ . 1 . 2]" 1
185 1 19 ASN HA 1 22 ILE HB . . 4.190 2.736 2.469 3.026 . 0 0 "[ . 1 . 2]" 1
186 1 19 ASN HA 1 35 ILE MG . . 3.780 2.831 2.200 3.334 . 0 0 "[ . 1 . 2]" 1
187 1 31 ILE HA 1 31 ILE QG . . 3.750 2.510 2.492 2.545 . 0 0 "[ . 1 . 2]" 1
188 1 42 GLU HA 1 42 GLU HG2 . . 4.140 3.161 2.207 3.706 . 0 0 "[ . 1 . 2]" 1
189 1 42 GLU HA 1 42 GLU HG3 . . 4.140 2.975 2.245 3.752 . 0 0 "[ . 1 . 2]" 1
190 1 72 ASN HA 1 73 PHE HA . . 5.500 4.747 4.640 4.851 . 0 0 "[ . 1 . 2]" 1
191 1 6 VAL HA 1 7 ALA H . . 3.320 2.196 2.142 2.318 . 0 0 "[ . 1 . 2]" 1
192 1 4 VAL HB 1 35 ILE HA . . 3.820 3.021 2.504 3.502 . 0 0 "[ . 1 . 2]" 1
193 1 35 ILE HA 1 35 ILE MG . . 3.390 2.303 2.231 2.398 . 0 0 "[ . 1 . 2]" 1
194 1 35 ILE HA 1 35 ILE HG12 . . 4.100 2.666 2.505 3.097 . 0 0 "[ . 1 . 2]" 1
195 1 83 LYS HA 1 86 ILE HB . . 4.340 2.819 2.338 3.253 . 0 0 "[ . 1 . 2]" 1
196 1 86 ILE HB 1 87 LEU HA . . 4.850 4.200 4.102 4.336 . 0 0 "[ . 1 . 2]" 1
197 1 54 VAL QG 1 68 ILE HB . . 3.480 2.338 1.996 2.605 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE HA 1 25 MET QB . . 4.420 3.032 2.467 4.079 . 0 0 "[ . 1 . 2]" 1
199 1 29 HIS HB3 1 31 ILE QG . . 4.480 2.016 1.957 2.249 . 0 0 "[ . 1 . 2]" 1
200 1 29 HIS HB2 1 31 ILE QG . . 4.480 2.417 2.242 2.609 . 0 0 "[ . 1 . 2]" 1
201 1 31 ILE H 1 31 ILE QG . . 4.120 2.298 2.209 2.524 . 0 0 "[ . 1 . 2]" 1
202 1 77 ILE HG12 1 77 ILE MG . . 3.500 2.451 1.961 3.197 . 0 0 "[ . 1 . 2]" 1
203 1 75 THR H 1 75 THR MG . . 3.970 2.327 1.904 3.197 . 0 0 "[ . 1 . 2]" 1
204 1 74 LEU H 1 75 THR MG . . 4.400 3.845 3.169 4.414 0.014 11 0 "[ . 1 . 2]" 1
205 1 17 VAL QG 1 18 VAL HA . . 3.930 3.357 3.264 3.530 . 0 0 "[ . 1 . 2]" 1
206 1 16 THR H 1 17 VAL QG . . 4.840 3.697 3.472 3.962 . 0 0 "[ . 1 . 2]" 1
207 1 49 THR HA 1 49 THR MG . . 3.260 2.500 2.146 3.198 . 0 0 "[ . 1 . 2]" 1
208 1 49 THR H 1 49 THR MG . . 3.800 2.117 1.913 2.553 . 0 0 "[ . 1 . 2]" 1
209 1 74 LEU HA 1 74 LEU QD . . 3.320 2.294 1.943 3.066 . 0 0 "[ . 1 . 2]" 1
210 1 71 ARG HA 1 74 LEU QD . . 4.450 3.378 2.056 4.354 . 0 0 "[ . 1 . 2]" 1
211 1 53 LEU MD1 1 55 THR HB . . 4.240 3.338 2.783 3.722 . 0 0 "[ . 1 . 2]" 1
212 1 53 LEU MD1 1 65 PHE QE . . 4.640 4.224 4.027 4.436 . 0 0 "[ . 1 . 2]" 1
213 1 43 VAL MG1 1 44 GLY H . . 4.410 2.634 2.047 4.142 . 0 0 "[ . 1 . 2]" 1
214 1 82 THR HA 1 82 THR MG . . 3.430 2.207 2.008 2.359 . 0 0 "[ . 1 . 2]" 1
215 1 82 THR MG 1 85 GLN QB . . 3.990 3.166 2.617 3.861 . 0 0 "[ . 1 . 2]" 1
216 1 73 PHE HD1 1 82 THR MG . . 4.340 4.209 3.439 4.352 0.012 19 0 "[ . 1 . 2]" 1
217 1 41 THR HA 1 41 THR MG . . 3.230 2.770 2.249 3.207 . 0 0 "[ . 1 . 2]" 1
218 1 41 THR H 1 41 THR MG . . 3.720 2.228 1.891 2.612 . 0 0 "[ . 1 . 2]" 1
219 1 16 THR HA 1 16 THR MG . . 3.360 2.116 2.018 2.288 . 0 0 "[ . 1 . 2]" 1
220 1 52 LEU QD 1 66 PRO QB . . 3.570 3.474 3.118 3.719 0.149 15 0 "[ . 1 . 2]" 1
221 1 1 MET HB2 1 2 LYS H . . 4.910 3.873 2.661 4.433 . 0 0 "[ . 1 . 2]" 1
222 1 1 MET HB3 1 2 LYS H . . 4.910 3.664 2.841 4.090 . 0 0 "[ . 1 . 2]" 1
223 1 2 LYS HE3 1 2 LYS HG2 . . 3.970 3.909 3.539 4.213 0.243 12 0 "[ . 1 . 2]" 1
224 1 2 LYS HA 1 2 LYS HD2 . . 4.280 2.038 1.982 2.161 . 0 0 "[ . 1 . 2]" 1
225 1 3 GLN HB3 1 51 ASP H . . 4.740 2.981 2.207 3.297 . 0 0 "[ . 1 . 2]" 1
226 1 27 LYS QB 1 28 GLU H . . 3.640 2.735 2.473 3.504 . 0 0 "[ . 1 . 2]" 1
227 1 6 VAL HB 1 37 GLN HA . . 4.100 2.489 2.002 3.170 . 0 0 "[ . 1 . 2]" 1
228 1 6 VAL HA 1 6 VAL MG2 . . 3.550 2.357 2.313 2.387 . 0 0 "[ . 1 . 2]" 1
229 1 90 LEU HA 1 90 LEU MD2 . . 4.550 3.010 2.086 3.863 . 0 0 "[ . 1 . 2]" 1
230 1 90 LEU H 1 90 LEU MD2 . . 4.400 3.757 2.197 4.409 0.009 9 0 "[ . 1 . 2]" 1
231 1 6 VAL HA 1 6 VAL MG1 . . 3.550 2.350 2.311 2.398 . 0 0 "[ . 1 . 2]" 1
232 1 15 SER QB 1 18 VAL HB . . 4.570 3.561 2.050 4.563 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE HA 1 22 ILE HG12 . . 4.150 3.094 3.040 3.180 . 0 0 "[ . 1 . 2]" 1
234 1 23 GLU HG2 1 35 ILE MD . . 3.910 3.949 3.646 4.288 0.378 20 0 "[ . 1 . 2]" 1
235 1 23 GLU H 1 23 GLU HG2 . . 4.690 2.614 2.124 3.290 . 0 0 "[ . 1 . 2]" 1
236 1 24 GLU H 1 24 GLU HG3 . . 4.620 3.708 2.488 4.555 . 0 0 "[ . 1 . 2]" 1
237 1 24 GLU H 1 24 GLU HG2 . . 4.620 3.793 2.042 4.630 0.010 9 0 "[ . 1 . 2]" 1
238 1 27 LYS HA 1 27 LYS QG . . 3.930 2.575 2.020 3.427 . 0 0 "[ . 1 . 2]" 1
239 1 31 ILE MD 1 91 GLN QB . . 4.640 2.269 1.882 2.873 . 0 0 "[ . 1 . 2]" 1
240 1 35 ILE HA 1 35 ILE HG13 . . 4.100 2.932 2.523 3.138 . 0 0 "[ . 1 . 2]" 1
241 1 36 LYS HA 1 36 LYS HD2 . . 4.720 4.053 2.792 4.695 . 0 0 "[ . 1 . 2]" 1
242 1 36 LYS HA 1 36 LYS HD3 . . 4.720 4.156 3.106 4.634 . 0 0 "[ . 1 . 2]" 1
243 1 3 GLN HE21 1 36 LYS HE2 . . 4.530 3.695 2.412 4.814 0.284 18 0 "[ . 1 . 2]" 1
244 1 3 GLN HE22 1 36 LYS HE2 . . 4.530 3.868 2.283 5.280 0.750 3 2 "[ + . 1 . - 2]" 1
245 1 35 ILE MG 1 37 GLN QG . . 3.640 3.405 2.723 4.441 0.801 13 1 "[ . 1 + . 2]" 1
246 1 38 ILE HG12 1 42 GLU H . . 4.300 3.654 3.483 3.793 . 0 0 "[ . 1 . 2]" 1
247 1 38 ILE H 1 38 ILE HG13 . . 4.510 4.127 4.098 4.138 . 0 0 "[ . 1 . 2]" 1
248 1 38 ILE HG13 1 39 LYS H . . 4.780 3.993 3.709 4.404 . 0 0 "[ . 1 . 2]" 1
249 1 42 GLU H 1 42 GLU HG2 . . 5.500 4.018 2.392 4.884 . 0 0 "[ . 1 . 2]" 1
250 1 42 GLU H 1 42 GLU HG3 . . 5.500 4.110 2.606 4.585 . 0 0 "[ . 1 . 2]" 1
251 1 43 VAL HA 1 43 VAL MG2 . . 3.640 2.291 2.127 2.509 . 0 0 "[ . 1 . 2]" 1
252 1 43 VAL MG2 1 63 TYR QE . . 5.150 3.248 2.321 4.306 . 0 0 "[ . 1 . 2]" 1
253 1 63 TYR QE 1 67 VAL MG1 . . 5.480 3.709 3.379 4.397 . 0 0 "[ . 1 . 2]" 1
254 1 47 GLU HA 1 47 GLU HG3 . . 3.840 3.057 2.317 3.698 . 0 0 "[ . 1 . 2]" 1
255 1 47 GLU HA 1 47 GLU HG2 . . 3.840 2.404 2.149 2.879 . 0 0 "[ . 1 . 2]" 1
256 1 47 GLU H 1 47 GLU HB3 . . 3.960 3.513 3.436 3.580 . 0 0 "[ . 1 . 2]" 1
257 1 52 LEU HG 1 89 GLU QB . . 3.860 4.838 3.295 5.824 1.964 3 14 "[* +**-***1 * ** ***]" 1
258 1 52 LEU HG 1 86 ILE HA . . 4.970 4.586 3.802 4.976 0.006 11 0 "[ . 1 . 2]" 1
259 1 52 LEU HA 1 52 LEU QD . . 3.410 1.980 1.906 2.113 . 0 0 "[ . 1 . 2]" 1
260 1 52 LEU QD 1 67 VAL HA . . 4.630 3.677 3.171 4.385 . 0 0 "[ . 1 . 2]" 1
261 1 52 LEU QD 1 86 ILE HA . . 4.460 3.511 2.236 4.290 . 0 0 "[ . 1 . 2]" 1
262 1 6 VAL HA 1 54 VAL HB . . 4.320 3.385 2.741 3.988 . 0 0 "[ . 1 . 2]" 1
263 1 60 LYS HA 1 60 LYS QD . . 3.890 3.085 2.018 3.836 . 0 0 "[ . 1 . 2]" 1
264 1 52 LEU QD 1 66 PRO HG3 . . 4.240 3.409 3.074 3.602 . 0 0 "[ . 1 . 2]" 1
265 1 52 LEU QD 1 66 PRO HG2 . . 4.240 2.230 1.866 2.450 . 0 0 "[ . 1 . 2]" 1
266 1 67 VAL HA 1 67 VAL MG1 . . 3.420 2.303 2.247 2.401 . 0 0 "[ . 1 . 2]" 1
267 1 67 VAL HA 1 67 VAL MG2 . . 3.420 2.327 2.270 2.431 . 0 0 "[ . 1 . 2]" 1
268 1 68 ILE HG13 1 68 ILE MG . . 3.520 2.592 2.248 3.182 . 0 0 "[ . 1 . 2]" 1
269 1 68 ILE H 1 68 ILE HG13 . . 4.860 3.711 2.808 4.238 . 0 0 "[ . 1 . 2]" 1
270 1 68 ILE H 1 68 ILE HG12 . . 4.860 3.380 2.550 4.444 . 0 0 "[ . 1 . 2]" 1
271 1 80 GLU HA 1 80 GLU QG . . 3.720 2.820 2.134 3.460 . 0 0 "[ . 1 . 2]" 1
272 1 81 GLU H 1 81 GLU QG . . 4.420 3.170 1.935 4.064 . 0 0 "[ . 1 . 2]" 1
273 1 24 GLU HA 1 24 GLU HG2 . . 4.190 3.195 2.527 3.776 . 0 0 "[ . 1 . 2]" 1
274 1 86 ILE H 1 86 ILE QG . . 2.950 2.512 2.293 2.801 . 0 0 "[ . 1 . 2]" 1
275 1 68 ILE HB 1 68 ILE MD . . 3.490 2.782 2.024 3.231 . 0 0 "[ . 1 . 2]" 1
276 1 86 ILE HB 1 86 ILE MD . . 3.260 2.055 1.995 2.185 . 0 0 "[ . 1 . 2]" 1
277 1 86 ILE QG 1 86 ILE MG . . 3.320 1.995 1.912 2.113 . 0 0 "[ . 1 . 2]" 1
278 1 88 THR MG 1 92 LYS QE . . 4.260 3.034 1.870 4.267 0.007 15 0 "[ . 1 . 2]" 1
279 1 89 GLU HA 1 92 LYS QE . . 4.460 4.357 2.609 5.023 0.563 2 7 "[ +* . ** 1- . * *]" 1
280 1 56 THR HA 1 56 THR MG . . 3.580 2.538 2.251 3.193 . 0 0 "[ . 1 . 2]" 1
281 1 22 ILE HA 1 25 MET ME . . 3.580 4.021 2.127 4.475 0.895 12 15 "[** ***** - +****** 2]" 1
282 1 22 ILE HA 1 22 ILE MG . . 3.220 2.355 2.305 2.404 . 0 0 "[ . 1 . 2]" 1
283 1 79 ILE MG 1 80 GLU HA . . 4.490 3.700 3.475 4.257 . 0 0 "[ . 1 . 2]" 1
284 1 84 GLN HA 1 84 GLN QG . . 3.870 2.516 2.032 3.334 . 0 0 "[ . 1 . 2]" 1
285 1 84 GLN HA 1 87 LEU HB2 . . 3.950 3.825 3.301 4.465 0.515 19 1 "[ . 1 . +2]" 1
286 1 84 GLN HA 1 87 LEU HB3 . . 4.110 2.912 2.447 3.575 . 0 0 "[ . 1 . 2]" 1
287 1 85 GLN HA 1 88 THR MG . . 4.770 4.267 4.024 4.420 . 0 0 "[ . 1 . 2]" 1
288 1 68 ILE MD 1 85 GLN HA . . 5.500 5.708 4.627 6.509 1.009 7 4 "[ . +- 1 *. *2]" 1
289 1 85 GLN HA 1 86 ILE MD . . 5.500 5.180 4.845 5.512 0.012 2 0 "[ . 1 . 2]" 1
290 1 2 LYS HG3 1 90 LEU HA . . 4.620 3.180 2.084 3.619 . 0 0 "[ . 1 . 2]" 1
291 1 2 LYS H 1 2 LYS HG3 . . 4.730 4.173 3.790 4.614 . 0 0 "[ . 1 . 2]" 1
292 1 32 LYS H 1 32 LYS HG2 . . 4.590 3.121 1.995 4.500 . 0 0 "[ . 1 . 2]" 1
293 1 32 LYS H 1 32 LYS HG3 . . 4.590 3.266 2.007 4.289 . 0 0 "[ . 1 . 2]" 1
294 1 3 GLN HA 1 34 ASP HB3 . . 4.300 2.919 1.999 4.583 0.283 1 0 "[ . 1 . 2]" 1
295 1 52 LEU HA 1 66 PRO QD . . 4.870 4.026 3.595 4.248 . 0 0 "[ . 1 . 2]" 1
296 1 25 MET HA 1 26 ALA HA . . 4.970 4.853 4.808 4.870 . 0 0 "[ . 1 . 2]" 1
297 1 55 THR HA 1 56 THR MG . . 4.530 3.490 3.260 3.794 . 0 0 "[ . 1 . 2]" 1
298 1 54 VAL QG 1 55 THR HA . . 5.360 3.560 3.401 3.832 . 0 0 "[ . 1 . 2]" 1
299 1 37 GLN HA 1 38 ILE HA . . 4.650 4.401 4.373 4.420 . 0 0 "[ . 1 . 2]" 1
300 1 73 PHE HA 1 79 ILE HA . . 5.210 5.210 4.649 5.641 0.431 2 0 "[ . 1 . 2]" 1
301 1 6 VAL HA 1 7 ALA MB . . 4.390 4.091 3.989 4.228 . 0 0 "[ . 1 . 2]" 1
302 1 40 ILE HA 1 41 THR HA . . 4.790 4.672 4.609 4.775 . 0 0 "[ . 1 . 2]" 1
303 1 40 ILE MG 1 41 THR HA . . 4.450 3.386 2.984 3.561 . 0 0 "[ . 1 . 2]" 1
304 1 56 THR HA 1 71 ARG HA . . 4.640 4.407 3.627 4.643 0.003 4 0 "[ . 1 . 2]" 1
305 1 25 MET HA 1 28 GLU HA . . 5.440 5.475 5.246 5.526 0.086 20 0 "[ . 1 . 2]" 1
306 1 80 GLU HA 1 81 GLU HA . . 5.310 4.791 4.621 4.885 . 0 0 "[ . 1 . 2]" 1
307 1 91 GLN HA 1 92 LYS HA . . 5.500 4.748 4.358 5.343 . 0 0 "[ . 1 . 2]" 1
308 1 85 GLN HA 1 88 THR HB . . 4.070 3.496 2.921 3.657 . 0 0 "[ . 1 . 2]" 1
309 1 50 ALA HA 1 51 ASP HA . . 5.000 4.379 4.355 4.426 . 0 0 "[ . 1 . 2]" 1
310 1 51 ASP HA 1 66 PRO QD . . 5.410 5.537 4.814 6.044 0.634 11 3 "[ * . - 1+ . 2]" 1
311 1 36 LYS HB3 1 37 GLN HA . . 4.590 4.207 3.825 4.396 . 0 0 "[ . 1 . 2]" 1
312 1 5 LEU HB3 1 6 VAL H . . 4.610 2.180 2.012 2.278 . 0 0 "[ . 1 . 2]" 1
313 1 5 LEU HG 1 38 ILE MD . . 4.440 3.396 2.371 4.190 . 0 0 "[ . 1 . 2]" 1
314 1 40 ILE MD 1 55 THR MG . . 3.330 4.166 3.298 6.487 3.157 20 14 "[* *** ***1 ** *-* *+]" 1
315 1 68 ILE H 1 68 ILE MG . . 4.440 3.876 3.824 3.925 . 0 0 "[ . 1 . 2]" 1
316 1 68 ILE MG 1 86 ILE H . . 4.690 4.307 3.811 4.650 . 0 0 "[ . 1 . 2]" 1
317 1 54 VAL HB 1 68 ILE MG . . 5.500 5.446 4.849 5.505 0.005 8 0 "[ . 1 . 2]" 1
318 1 25 MET HA 1 26 ALA MB . . 5.220 5.021 5.007 5.039 . 0 0 "[ . 1 . 2]" 1
319 1 21 ALA MB 1 22 ILE MG . . 5.270 4.887 4.791 4.983 . 0 0 "[ . 1 . 2]" 1
320 1 21 ALA MB 1 22 ILE HG13 . . 5.500 4.755 4.642 4.898 . 0 0 "[ . 1 . 2]" 1
321 1 13 ALA MB 1 14 THR H . . 4.650 2.808 1.986 3.718 . 0 0 "[ . 1 . 2]" 1
322 1 12 ILE MG 1 13 ALA MB . . 4.060 3.784 2.801 4.063 0.003 8 0 "[ . 1 . 2]" 1
323 1 69 ASN HA 1 70 ALA MB . . 4.260 3.909 3.850 3.968 . 0 0 "[ . 1 . 2]" 1
324 1 56 THR HA 1 70 ALA MB . . 4.710 3.223 2.062 4.247 . 0 0 "[ . 1 . 2]" 1
325 1 70 ALA MB 1 73 PHE QB . . 4.320 2.563 1.976 3.167 . 0 0 "[ . 1 . 2]" 1
326 1 18 VAL MG1 1 70 ALA MB . . 4.410 3.118 2.633 3.750 . 0 0 "[ . 1 . 2]" 1
327 1 12 ILE H 1 12 ILE MD . . 4.710 3.513 2.046 4.368 . 0 0 "[ . 1 . 2]" 1
328 1 55 THR MG 1 68 ILE H . . 4.870 4.172 3.676 4.582 . 0 0 "[ . 1 . 2]" 1
329 1 55 THR MG 1 57 ALA MB . . 5.020 4.065 3.051 4.554 . 0 0 "[ . 1 . 2]" 1
330 1 22 ILE MG 1 23 GLU HA . . 4.180 3.503 3.267 3.706 . 0 0 "[ . 1 . 2]" 1
331 1 31 ILE MG 1 91 GLN QB . . 4.470 2.611 1.908 3.553 . 0 0 "[ . 1 . 2]" 1
332 1 31 ILE MG 1 32 LYS QB . . 4.190 3.493 3.288 3.859 . 0 0 "[ . 1 . 2]" 1
333 1 77 ILE HG13 1 77 ILE MG . . 3.500 2.864 2.294 3.190 . 0 0 "[ . 1 . 2]" 1
334 1 36 LYS HB2 1 38 ILE MG . . 4.420 4.594 4.305 4.841 0.421 2 0 "[ . 1 . 2]" 1
335 1 36 LYS HB3 1 38 ILE MG . . 3.530 3.201 3.004 3.532 0.002 2 0 "[ . 1 . 2]" 1
336 1 5 LEU HB3 1 38 ILE MG . . 3.440 3.583 3.105 3.669 0.229 3 0 "[ . 1 . 2]" 1
337 1 33 VAL HA 1 33 VAL MG2 . . 3.520 2.462 2.217 3.184 . 0 0 "[ . 1 . 2]" 1
338 1 4 VAL QG 1 90 LEU HG . . 3.810 4.101 2.986 5.295 1.485 15 5 "[ ** - + * 2]" 1
339 1 2 LYS HB2 1 4 VAL QG . . 4.130 3.701 3.184 4.174 0.044 10 0 "[ . 1 . 2]" 1
340 1 18 VAL HB 1 22 ILE HG12 . . 4.790 4.809 4.614 4.904 0.114 2 0 "[ . 1 . 2]" 1
341 1 31 ILE QG 1 87 LEU HG . . 5.500 5.992 5.632 6.331 0.831 20 9 "[ ** . **1 *-.* * +]" 1
342 1 87 LEU HB2 1 88 THR H . . 4.400 3.952 3.758 4.186 . 0 0 "[ . 1 . 2]" 1
343 1 18 VAL HB 1 22 ILE HG13 . . 5.500 5.353 5.068 5.501 0.001 2 0 "[ . 1 . 2]" 1
344 1 33 VAL HB 1 90 LEU HG . . 4.740 5.265 2.995 7.965 3.225 8 11 "[* *** +**- * ** 2]" 1
345 1 51 ASP HA 1 65 PHE HB3 . . 5.500 4.250 3.289 5.050 . 0 0 "[ . 1 . 2]" 1
346 1 90 LEU HA 1 90 LEU MD1 . . 4.550 2.824 1.987 3.893 . 0 0 "[ . 1 . 2]" 1
347 1 52 LEU QD 1 90 LEU MD1 . . 4.480 3.475 2.214 4.482 0.002 5 0 "[ . 1 . 2]" 1
348 1 84 GLN QG 1 86 ILE MD . . 5.500 5.907 4.686 6.682 1.182 1 12 "[+** * * 1 * *** **-]" 1
349 1 31 ILE MD 1 91 GLN HG3 . . 4.340 3.685 3.168 4.344 0.004 19 0 "[ . 1 . 2]" 1
350 1 38 ILE HG12 1 39 LYS HA . . 4.790 3.952 3.747 4.283 . 0 0 "[ . 1 . 2]" 1
351 1 52 LEU HA 1 65 PHE HB2 . . 5.200 3.262 2.930 3.468 . 0 0 "[ . 1 . 2]" 1
352 1 63 TYR QB 1 64 LYS QG . . 3.990 4.731 4.029 4.904 0.914 19 19 "[* ***********-****+*]" 1
353 1 52 LEU QD 1 90 LEU MD2 . . 4.480 3.733 2.164 4.486 0.006 15 0 "[ . 1 . 2]" 1
354 1 74 LEU HB3 1 75 THR MG . . 4.640 3.240 2.488 4.057 . 0 0 "[ . 1 . 2]" 1
355 1 74 LEU HB2 1 75 THR MG . . 4.640 4.020 2.941 4.526 . 0 0 "[ . 1 . 2]" 1
356 1 52 LEU HG 1 53 LEU H . . 5.000 4.456 4.168 5.133 0.133 9 0 "[ . 1 . 2]" 1
357 1 52 LEU HG 1 90 LEU H . . 5.390 5.296 4.633 5.517 0.127 11 0 "[ . 1 . 2]" 1
358 1 5 LEU HB2 1 53 LEU HG . . 4.630 4.715 4.377 4.918 0.288 1 0 "[ . 1 . 2]" 1
359 1 40 ILE HB 1 41 THR MG . . 5.120 4.595 3.171 5.194 0.074 9 0 "[ . 1 . 2]" 1
360 1 68 ILE MG 1 82 THR MG . . 3.210 2.184 1.809 2.774 . 0 0 "[ . 1 . 2]" 1
361 1 88 THR HA 1 88 THR MG . . 3.300 2.348 2.186 2.411 . 0 0 "[ . 1 . 2]" 1
362 1 16 THR MG 1 19 ASN QB . . 4.000 3.883 3.329 4.139 0.139 1 0 "[ . 1 . 2]" 1
363 1 16 THR MG 1 20 ASN QB . . 5.500 3.588 3.143 4.240 . 0 0 "[ . 1 . 2]" 1
364 1 88 THR MG 1 90 LEU H . . 4.320 5.256 4.762 5.435 1.115 5 19 "[***-+******* *******]" 1
365 1 39 LYS H 1 39 LYS HG2 . . 4.660 3.923 2.952 4.643 . 0 0 "[ . 1 . 2]" 1
366 1 39 LYS H 1 39 LYS HG3 . . 4.660 3.720 2.578 4.301 . 0 0 "[ . 1 . 2]" 1
367 1 64 LYS HB2 1 64 LYS QE . . 4.110 3.540 2.182 4.092 . 0 0 "[ . 1 . 2]" 1
368 1 2 LYS HE2 1 2 LYS HG2 . . 3.970 3.642 3.445 4.173 0.203 10 0 "[ . 1 . 2]" 1
369 1 64 LYS HA 1 64 LYS QE . . 4.470 3.379 1.970 4.213 . 0 0 "[ . 1 . 2]" 1
370 1 83 LYS H 1 83 LYS HD2 . . 4.460 4.251 2.728 5.428 0.968 3 2 "[ + . -1 . 2]" 1
371 1 83 LYS HA 1 83 LYS HD2 . . 4.370 2.623 1.994 4.144 . 0 0 "[ . 1 . 2]" 1
372 1 3 GLN HE21 1 36 LYS HE3 . . 4.530 4.152 2.781 4.814 0.284 4 0 "[ . 1 . 2]" 1
373 1 64 LYS HB3 1 64 LYS QE . . 4.110 2.660 1.991 3.563 . 0 0 "[ . 1 . 2]" 1
374 1 2 LYS HA 1 2 LYS HD3 . . 4.280 3.522 3.165 3.692 . 0 0 "[ . 1 . 2]" 1
375 1 52 LEU QD 1 89 GLU QB . . 3.350 3.410 2.331 3.988 0.638 19 3 "[ * . 1 - +2]" 1
376 1 92 LYS H 1 92 LYS QB . . 2.770 2.343 2.070 2.850 0.080 19 0 "[ . 1 . 2]" 1
377 1 43 VAL HB 1 44 GLY H . . 4.630 4.060 2.916 4.481 . 0 0 "[ . 1 . 2]" 1
378 1 43 VAL MG2 1 44 GLY H . . 4.410 3.984 3.772 4.236 . 0 0 "[ . 1 . 2]" 1
379 1 75 THR H 1 76 GLY H . . 3.670 2.798 1.903 3.926 0.256 2 0 "[ . 1 . 2]" 1
380 1 74 LEU H 1 75 THR H . . 3.730 2.354 1.947 2.810 . 0 0 "[ . 1 . 2]" 1
381 1 74 LEU HB3 1 75 THR H . . 4.370 3.102 2.599 4.287 . 0 0 "[ . 1 . 2]" 1
382 1 74 LEU HB2 1 75 THR H . . 4.370 3.451 2.564 4.397 0.027 12 0 "[ . 1 . 2]" 1
383 1 41 THR H 1 42 GLU H . . 3.490 2.579 2.314 2.854 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE MG 1 41 THR H . . 3.540 2.460 2.044 3.568 0.028 2 0 "[ . 1 . 2]" 1
385 1 50 ALA HA 1 51 ASP H . . 3.010 2.269 2.141 2.588 . 0 0 "[ . 1 . 2]" 1
386 1 51 ASP H 1 51 ASP HB3 . . 3.650 3.195 2.359 3.657 0.007 17 0 "[ . 1 . 2]" 1
387 1 51 ASP H 1 51 ASP HB2 . . 3.650 2.571 2.210 3.605 . 0 0 "[ . 1 . 2]" 1
388 1 3 GLN HB2 1 51 ASP H . . 4.730 4.547 3.760 4.739 0.009 10 0 "[ . 1 . 2]" 1
389 1 50 ALA MB 1 51 ASP H . . 3.280 2.793 2.241 3.262 . 0 0 "[ . 1 . 2]" 1
390 1 47 GLU H 1 48 ASP H . . 3.350 2.238 2.061 2.445 . 0 0 "[ . 1 . 2]" 1
391 1 48 ASP H 1 49 THR H . . 3.110 2.595 1.995 2.792 . 0 0 "[ . 1 . 2]" 1
392 1 47 GLU HB2 1 48 ASP H . . 3.690 2.828 2.496 2.941 . 0 0 "[ . 1 . 2]" 1
393 1 48 ASP H 1 49 THR MG . . 4.800 3.986 3.209 4.262 . 0 0 "[ . 1 . 2]" 1
394 1 88 THR H 1 89 GLU H . . 3.310 2.775 2.639 2.826 . 0 0 "[ . 1 . 2]" 1
395 1 87 LEU H 1 88 THR H . . 3.230 2.723 2.505 2.814 . 0 0 "[ . 1 . 2]" 1
396 1 88 THR H 1 88 THR HB . . 2.940 2.635 2.531 2.790 . 0 0 "[ . 1 . 2]" 1
397 1 84 GLN HA 1 88 THR H . . 3.570 4.322 3.829 4.946 1.376 19 16 "[**- * **** ***** *+*]" 1
398 1 88 THR H 1 88 THR MG . . 3.460 3.762 3.734 3.770 0.310 4 0 "[ . 1 . 2]" 1
399 1 87 LEU HB3 1 88 THR H . . 3.120 2.808 2.607 3.056 . 0 0 "[ . 1 . 2]" 1
400 1 86 ILE HB 1 88 THR H . . 5.500 4.832 4.647 5.010 . 0 0 "[ . 1 . 2]" 1
401 1 88 THR H 1 89 GLU QB . . 5.500 5.175 4.958 5.324 . 0 0 "[ . 1 . 2]" 1
402 1 46 TYR H 1 46 TYR QD . . 3.450 3.409 3.130 3.499 0.049 10 0 "[ . 1 . 2]" 1
403 1 46 TYR H 1 46 TYR QE . . 4.850 4.995 4.599 5.196 0.346 9 0 "[ . 1 . 2]" 1
404 1 44 GLY HA2 1 46 TYR H . . 5.280 4.282 4.192 4.349 . 0 0 "[ . 1 . 2]" 1
405 1 44 GLY HA3 1 46 TYR H . . 5.280 4.200 4.153 4.242 . 0 0 "[ . 1 . 2]" 1
406 1 46 TYR H 1 47 GLU HB2 . . 5.090 4.617 4.470 4.847 . 0 0 "[ . 1 . 2]" 1
407 1 19 ASN H 1 20 ASN H . . 3.320 2.885 2.766 3.001 . 0 0 "[ . 1 . 2]" 1
408 1 19 ASN HD21 1 20 ASN H . . 5.030 3.859 3.115 4.381 . 0 0 "[ . 1 . 2]" 1
409 1 17 VAL HA 1 20 ASN H . . 4.450 3.906 3.731 4.107 . 0 0 "[ . 1 . 2]" 1
410 1 20 ASN H 1 20 ASN QB . . 2.670 2.249 2.171 2.681 0.011 6 0 "[ . 1 . 2]" 1
411 1 58 MET HA 1 59 THR H . . 3.520 2.457 2.215 2.710 . 0 0 "[ . 1 . 2]" 1
412 1 58 MET HB2 1 59 THR H . . 5.240 3.416 2.094 4.661 . 0 0 "[ . 1 . 2]" 1
413 1 58 MET HB3 1 59 THR H . . 5.240 3.181 1.959 4.478 . 0 0 "[ . 1 . 2]" 1
414 1 59 THR H 1 59 THR MG . . 4.420 3.144 2.097 4.055 . 0 0 "[ . 1 . 2]" 1
415 1 55 THR H 1 69 ASN HA . . 3.800 3.471 3.145 3.782 . 0 0 "[ . 1 . 2]" 1
416 1 54 VAL HA 1 55 THR H . . 2.820 2.147 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
417 1 55 THR H 1 68 ILE HB . . 4.910 4.606 4.007 4.917 0.007 10 0 "[ . 1 . 2]" 1
418 1 54 VAL HB 1 55 THR H . . 4.460 4.227 4.082 4.428 . 0 0 "[ . 1 . 2]" 1
419 1 54 VAL QG 1 55 THR H . . 3.270 2.623 2.336 3.154 . 0 0 "[ . 1 . 2]" 1
420 1 80 GLU H 1 81 GLU H . . 3.620 2.692 1.898 2.802 . 0 0 "[ . 1 . 2]" 1
421 1 79 ILE H 1 80 GLU H . . 3.710 2.593 2.134 2.923 . 0 0 "[ . 1 . 2]" 1
422 1 79 ILE HB 1 80 GLU H . . 3.920 2.710 2.278 4.044 0.124 4 0 "[ . 1 . 2]" 1
423 1 79 ILE MG 1 80 GLU H . . 4.160 3.591 3.305 4.189 0.029 4 0 "[ . 1 . 2]" 1
424 1 63 TYR QB 1 64 LYS H . . 3.400 2.793 2.309 3.143 . 0 0 "[ . 1 . 2]" 1
425 1 72 ASN H 1 73 PHE H . . 4.320 2.658 2.479 2.804 . 0 0 "[ . 1 . 2]" 1
426 1 30 ASN HA 1 31 ILE H . . 3.070 2.737 2.656 2.796 . 0 0 "[ . 1 . 2]" 1
427 1 26 ALA HA 1 31 ILE H . . 3.570 4.113 3.950 4.251 0.681 11 14 "[ ** ** * *+** *** -*]" 1
428 1 31 ILE H 1 31 ILE MG . . 3.840 3.836 3.815 3.862 0.022 8 0 "[ . 1 . 2]" 1
429 1 31 ILE H 1 31 ILE MD . . 3.790 3.720 3.661 3.792 0.002 8 0 "[ . 1 . 2]" 1
430 1 83 LYS H 1 84 GLN H . . 3.240 2.802 2.755 2.938 . 0 0 "[ . 1 . 2]" 1
431 1 80 GLU HA 1 83 LYS H . . 3.480 3.678 3.051 4.458 0.978 7 5 "[ * - +* 1 * . 2]" 1
432 1 82 THR HB 1 83 LYS H . . 3.620 2.564 2.162 2.854 . 0 0 "[ . 1 . 2]" 1
433 1 79 ILE MG 1 83 LYS H . . 4.360 3.341 2.666 3.722 . 0 0 "[ . 1 . 2]" 1
434 1 40 ILE H 1 40 ILE MG . . 4.140 2.600 1.976 3.768 . 0 0 "[ . 1 . 2]" 1
435 1 6 VAL H 1 37 GLN HA . . 3.590 2.604 1.945 3.145 . 0 0 "[ . 1 . 2]" 1
436 1 1 MET QG 1 34 ASP H . . 4.820 4.417 3.108 5.279 0.459 1 0 "[ . 1 . 2]" 1
437 1 3 GLN HB2 1 34 ASP H . . 5.130 5.371 5.043 5.513 0.383 9 0 "[ . 1 . 2]" 1
438 1 33 VAL HB 1 34 ASP H . . 3.280 4.012 3.231 4.234 0.954 10 18 "[*********+** ***-* *]" 1
439 1 26 ALA H 1 27 LYS H . . 3.110 2.796 2.651 2.846 . 0 0 "[ . 1 . 2]" 1
440 1 25 MET QB 1 26 ALA H . . 3.920 2.650 2.203 3.483 . 0 0 "[ . 1 . 2]" 1
441 1 22 ILE MG 1 26 ALA H . . 4.220 3.394 3.065 3.684 . 0 0 "[ . 1 . 2]" 1
442 1 34 ASP HB2 1 35 ILE H . . 4.970 4.424 3.376 4.666 . 0 0 "[ . 1 . 2]" 1
443 1 34 ASP HB3 1 35 ILE H . . 4.970 3.871 1.998 4.505 . 0 0 "[ . 1 . 2]" 1
444 1 84 GLN HA 1 87 LEU H . . 3.660 3.884 3.595 4.306 0.646 9 2 "[ . +1 . -]" 1
445 1 87 LEU H 1 87 LEU HB2 . . 2.850 2.456 2.207 2.735 . 0 0 "[ . 1 . 2]" 1
446 1 86 ILE HB 1 87 LEU H . . 3.150 2.476 2.315 2.786 . 0 0 "[ . 1 . 2]" 1
447 1 87 LEU H 1 88 THR MG . . 4.190 5.970 5.800 6.029 1.839 11 20 [**********+*******-*] 1
448 1 86 ILE MG 1 87 LEU H . . 3.460 3.347 3.152 3.505 0.045 19 0 "[ . 1 . 2]" 1
449 1 87 LEU H 1 87 LEU MD1 . . 4.490 3.987 3.669 4.218 . 0 0 "[ . 1 . 2]" 1
450 1 87 LEU H 1 87 LEU MD2 . . 4.490 4.172 4.103 4.238 . 0 0 "[ . 1 . 2]" 1
451 1 4 VAL HA 1 5 LEU H . . 2.800 2.172 2.141 2.217 . 0 0 "[ . 1 . 2]" 1
452 1 37 GLN H 1 37 GLN QG . . 3.210 2.543 2.045 3.266 0.056 17 0 "[ . 1 . 2]" 1
453 1 36 LYS HA 1 37 GLN H . . 2.830 2.286 2.176 2.616 . 0 0 "[ . 1 . 2]" 1
454 1 5 LEU H 1 53 LEU HA . . 3.530 2.821 2.620 2.981 . 0 0 "[ . 1 . 2]" 1
455 1 37 GLN H 1 37 GLN QB . . 3.120 2.882 2.587 3.360 0.240 19 0 "[ . 1 . 2]" 1
456 1 4 VAL QG 1 5 LEU H . . 2.990 2.446 1.999 2.983 . 0 0 "[ . 1 . 2]" 1
457 1 71 ARG H 1 72 ASN H . . 4.270 2.625 2.482 2.790 . 0 0 "[ . 1 . 2]" 1
458 1 69 ASN HA 1 71 ARG H . . 4.270 3.961 3.797 4.026 . 0 0 "[ . 1 . 2]" 1
459 1 56 THR HA 1 71 ARG H . . 4.010 4.026 3.424 4.278 0.268 2 0 "[ . 1 . 2]" 1
460 1 70 ALA MB 1 71 ARG H . . 3.770 3.662 3.637 3.699 . 0 0 "[ . 1 . 2]" 1
461 1 20 ASN HA 1 23 GLU H . . 3.720 3.989 3.662 4.207 0.487 6 0 "[ . 1 . 2]" 1
462 1 22 ILE MG 1 23 GLU H . . 3.720 3.392 3.136 3.695 . 0 0 "[ . 1 . 2]" 1
463 1 22 ILE HB 1 23 GLU H . . 3.220 2.521 2.303 2.851 . 0 0 "[ . 1 . 2]" 1
464 1 32 LYS QB 1 33 VAL H . . 4.160 3.906 3.854 4.005 . 0 0 "[ . 1 . 2]" 1
465 1 33 VAL H 1 33 VAL MG2 . . 3.400 3.188 1.943 3.913 0.513 12 2 "[- . 1 + . 2]" 1
466 1 6 VAL H 1 38 ILE H . . 4.020 2.915 2.481 3.244 . 0 0 "[ . 1 . 2]" 1
467 1 7 ALA HA 1 38 ILE H . . 4.600 3.828 3.215 4.524 . 0 0 "[ . 1 . 2]" 1
468 1 37 GLN HA 1 38 ILE H . . 2.770 2.152 2.140 2.171 . 0 0 "[ . 1 . 2]" 1
469 1 37 GLN QB 1 38 ILE H . . 3.650 3.238 3.061 3.528 . 0 0 "[ . 1 . 2]" 1
470 1 65 PHE H 1 65 PHE QD . . 3.290 3.164 2.928 3.208 . 0 0 "[ . 1 . 2]" 1
471 1 64 LYS H 1 65 PHE H . . 3.430 2.901 2.651 3.039 . 0 0 "[ . 1 . 2]" 1
472 1 63 TYR QB 1 65 PHE H . . 3.320 2.608 2.440 2.812 . 0 0 "[ . 1 . 2]" 1
473 1 65 PHE H 1 65 PHE HB2 . . 4.020 3.919 3.870 3.957 . 0 0 "[ . 1 . 2]" 1
474 1 65 PHE H 1 65 PHE HB3 . . 3.970 3.691 3.647 3.782 . 0 0 "[ . 1 . 2]" 1
475 1 63 TYR HA 1 65 PHE H . . 4.920 4.110 3.913 4.330 . 0 0 "[ . 1 . 2]" 1
476 1 91 GLN H 1 92 LYS H . . 3.020 2.349 1.875 2.939 . 0 0 "[ . 1 . 2]" 1
477 1 90 LEU H 1 92 LYS H . . 4.820 3.925 2.800 4.294 . 0 0 "[ . 1 . 2]" 1
478 1 89 GLU HA 1 92 LYS H . . 3.880 3.639 3.188 3.946 0.066 13 0 "[ . 1 . 2]" 1
479 1 51 ASP H 1 52 LEU H . . 2.860 2.375 1.977 2.791 . 0 0 "[ . 1 . 2]" 1
480 1 52 LEU H 1 53 LEU H . . 4.710 4.449 4.100 4.570 . 0 0 "[ . 1 . 2]" 1
481 1 4 VAL HA 1 52 LEU H . . 3.560 2.941 2.540 3.238 . 0 0 "[ . 1 . 2]" 1
482 1 50 ALA HA 1 52 LEU H . . 4.450 4.393 3.788 4.539 0.089 17 0 "[ . 1 . 2]" 1
483 1 51 ASP HB3 1 52 LEU H . . 4.150 2.894 2.038 4.089 . 0 0 "[ . 1 . 2]" 1
484 1 51 ASP HB2 1 52 LEU H . . 4.150 3.031 2.190 3.865 . 0 0 "[ . 1 . 2]" 1
485 1 4 VAL QG 1 52 LEU H . . 3.800 2.657 1.974 3.160 . 0 0 "[ . 1 . 2]" 1
486 1 50 ALA MB 1 52 LEU H . . 4.090 3.690 3.026 4.216 0.126 15 0 "[ . 1 . 2]" 1
487 1 52 LEU H 1 52 LEU QD . . 4.360 3.297 2.197 3.789 . 0 0 "[ . 1 . 2]" 1
488 1 43 VAL H 1 44 GLY H . . 3.300 2.550 2.362 3.047 . 0 0 "[ . 1 . 2]" 1
489 1 42 GLU HA 1 43 VAL H . . 3.530 3.351 2.941 3.488 . 0 0 "[ . 1 . 2]" 1
490 1 41 THR HA 1 43 VAL H . . 4.180 3.882 3.556 4.152 . 0 0 "[ . 1 . 2]" 1
491 1 43 VAL H 1 44 GLY HA2 . . 5.290 4.919 4.300 5.155 . 0 0 "[ . 1 . 2]" 1
492 1 43 VAL H 1 44 GLY HA3 . . 5.290 4.772 4.390 4.929 . 0 0 "[ . 1 . 2]" 1
493 1 43 VAL H 1 43 VAL HB . . 3.070 2.633 2.369 2.925 . 0 0 "[ . 1 . 2]" 1
494 1 89 GLU H 1 90 LEU H . . 3.070 2.122 1.878 2.624 . 0 0 "[ . 1 . 2]" 1
495 1 86 ILE HA 1 89 GLU H . . 4.240 3.760 3.572 4.031 . 0 0 "[ . 1 . 2]" 1
496 1 89 GLU H 1 89 GLU HG2 . . 3.380 2.374 1.942 3.161 . 0 0 "[ . 1 . 2]" 1
497 1 89 GLU H 1 89 GLU HG3 . . 3.380 2.772 2.509 3.068 . 0 0 "[ . 1 . 2]" 1
498 1 89 GLU H 1 89 GLU QB . . 3.100 2.840 2.500 3.080 . 0 0 "[ . 1 . 2]" 1
499 1 88 THR MG 1 89 GLU H . . 4.010 3.698 3.550 3.925 . 0 0 "[ . 1 . 2]" 1
500 1 86 ILE MG 1 89 GLU H . . 4.650 4.210 4.001 4.499 . 0 0 "[ . 1 . 2]" 1
501 1 29 HIS H 1 29 HIS HD2 . . 3.720 2.974 2.689 3.200 . 0 0 "[ . 1 . 2]" 1
502 1 28 GLU H 1 29 HIS H . . 3.200 2.647 2.426 2.782 . 0 0 "[ . 1 . 2]" 1
503 1 29 HIS H 1 31 ILE H . . 4.540 4.362 4.353 4.368 . 0 0 "[ . 1 . 2]" 1
504 1 29 HIS H 1 30 ASN HA . . 4.830 4.657 4.566 4.743 . 0 0 "[ . 1 . 2]" 1
505 1 29 HIS H 1 29 HIS HB2 . . 3.750 2.374 2.265 2.487 . 0 0 "[ . 1 . 2]" 1
506 1 29 HIS H 1 29 HIS HB3 . . 3.750 3.591 3.547 3.616 . 0 0 "[ . 1 . 2]" 1
507 1 28 GLU HB2 1 29 HIS H . . 4.220 3.770 3.569 3.898 . 0 0 "[ . 1 . 2]" 1
508 1 28 GLU HB3 1 29 HIS H . . 4.220 2.722 2.646 2.795 . 0 0 "[ . 1 . 2]" 1
509 1 29 HIS H 1 31 ILE QG . . 4.830 4.360 4.196 4.474 . 0 0 "[ . 1 . 2]" 1
510 1 29 HIS H 1 31 ILE MD . . 4.720 4.721 4.605 4.750 0.030 10 0 "[ . 1 . 2]" 1
511 1 90 LEU H 1 91 GLN H . . 3.220 2.860 1.873 3.167 . 0 0 "[ . 1 . 2]" 1
512 1 89 GLU HA 1 91 GLN H . . 4.590 4.550 3.935 5.119 0.529 10 2 "[ .- + . 2]" 1
513 1 91 GLN H 1 91 GLN HG2 . . 4.420 3.423 2.744 4.395 . 0 0 "[ . 1 . 2]" 1
514 1 91 GLN H 1 91 GLN QB . . 3.430 2.774 2.103 3.082 . 0 0 "[ . 1 . 2]" 1
515 1 31 ILE MD 1 91 GLN H . . 4.410 4.123 3.566 4.707 0.297 20 0 "[ . 1 . 2]" 1
516 1 8 CYS HA 1 56 THR H . . 4.030 2.680 2.003 3.414 . 0 0 "[ . 1 . 2]" 1
517 1 56 THR H 1 56 THR MG . . 3.960 2.201 1.908 2.784 . 0 0 "[ . 1 . 2]" 1
518 1 59 THR HB 1 61 LYS H . . 4.180 4.729 2.845 7.545 3.365 6 7 "[* -.+ * .* **]" 1
519 1 59 THR MG 1 61 LYS H . . 4.120 3.753 1.900 6.803 2.683 16 6 "[ .* -* *+ *]" 1
520 1 16 THR H 1 17 VAL H . . 3.380 2.252 1.966 2.561 . 0 0 "[ . 1 . 2]" 1
521 1 16 THR HB 1 17 VAL H . . 3.550 2.475 2.044 3.045 . 0 0 "[ . 1 . 2]" 1
522 1 17 VAL H 1 17 VAL HB . . 3.180 2.582 2.556 2.602 . 0 0 "[ . 1 . 2]" 1
523 1 79 ILE H 1 79 ILE HB . . 3.150 2.607 2.477 2.865 . 0 0 "[ . 1 . 2]" 1
524 1 79 ILE H 1 79 ILE HG13 . . 3.950 2.142 1.932 2.704 . 0 0 "[ . 1 . 2]" 1
525 1 79 ILE H 1 79 ILE MG . . 3.940 3.785 3.758 3.929 . 0 0 "[ . 1 . 2]" 1
526 1 79 ILE H 1 79 ILE HG12 . . 3.950 3.384 3.098 3.864 . 0 0 "[ . 1 . 2]" 1
527 1 81 GLU H 1 82 THR H . . 3.140 2.729 2.372 3.112 . 0 0 "[ . 1 . 2]" 1
528 1 72 ASN QD 1 82 THR H . . 4.680 3.478 2.134 4.116 . 0 0 "[ . 1 . 2]" 1
529 1 82 THR H 1 83 LYS H . . 3.200 2.588 2.154 2.911 . 0 0 "[ . 1 . 2]" 1
530 1 82 THR H 1 82 THR HB . . 3.060 2.760 2.523 3.056 . 0 0 "[ . 1 . 2]" 1
531 1 79 ILE HA 1 82 THR H . . 3.830 3.520 3.080 3.860 0.030 4 0 "[ . 1 . 2]" 1
532 1 82 THR H 1 82 THR MG . . 3.990 3.742 3.597 3.840 . 0 0 "[ . 1 . 2]" 1
533 1 30 ASN H 1 31 ILE H . . 3.160 2.670 2.639 2.723 . 0 0 "[ . 1 . 2]" 1
534 1 29 HIS H 1 30 ASN H . . 3.020 2.397 2.308 2.479 . 0 0 "[ . 1 . 2]" 1
535 1 30 ASN H 1 30 ASN HA . . 2.650 2.275 2.275 2.276 . 0 0 "[ . 1 . 2]" 1
536 1 27 LYS HA 1 30 ASN H . . 3.840 3.283 3.069 3.573 . 0 0 "[ . 1 . 2]" 1
537 1 26 ALA HA 1 30 ASN H . . 4.160 4.196 3.941 4.379 0.219 8 0 "[ . 1 . 2]" 1
538 1 30 ASN H 1 30 ASN HB3 . . 4.150 3.996 3.933 4.022 . 0 0 "[ . 1 . 2]" 1
539 1 30 ASN H 1 30 ASN HB2 . . 4.150 3.757 3.715 3.841 . 0 0 "[ . 1 . 2]" 1
540 1 30 ASN H 1 31 ILE QG . . 4.590 3.617 3.500 3.681 . 0 0 "[ . 1 . 2]" 1
541 1 24 GLU H 1 25 MET H . . 3.180 2.529 2.445 2.684 . 0 0 "[ . 1 . 2]" 1
542 1 25 MET H 1 26 ALA H . . 3.020 2.552 2.281 2.714 . 0 0 "[ . 1 . 2]" 1
543 1 23 GLU HA 1 25 MET H . . 4.860 4.366 4.094 4.597 . 0 0 "[ . 1 . 2]" 1
544 1 22 ILE HA 1 25 MET H . . 4.020 3.330 3.146 3.573 . 0 0 "[ . 1 . 2]" 1
545 1 25 MET H 1 25 MET HG2 . . 3.710 2.685 1.917 3.632 . 0 0 "[ . 1 . 2]" 1
546 1 25 MET H 1 25 MET HG3 . . 3.710 3.105 2.161 3.712 0.002 18 0 "[ . 1 . 2]" 1
547 1 25 MET H 1 25 MET QB . . 2.910 2.443 2.221 2.713 . 0 0 "[ . 1 . 2]" 1
548 1 25 MET H 1 26 ALA MB . . 4.300 4.152 3.936 4.302 0.002 5 0 "[ . 1 . 2]" 1
549 1 22 ILE MG 1 25 MET H . . 5.300 4.339 4.146 4.603 . 0 0 "[ . 1 . 2]" 1
550 1 22 ILE MD 1 25 MET H . . 5.500 4.778 4.585 4.971 . 0 0 "[ . 1 . 2]" 1
551 1 82 THR H 1 84 GLN H . . 4.650 4.100 3.907 4.420 . 0 0 "[ . 1 . 2]" 1
552 1 84 GLN H 1 84 GLN QG . . 3.210 2.557 1.919 3.146 . 0 0 "[ . 1 . 2]" 1
553 1 84 GLN H 1 84 GLN QB . . 2.750 2.306 2.084 2.631 . 0 0 "[ . 1 . 2]" 1
554 1 83 LYS HB3 1 84 GLN H . . 3.870 3.000 2.615 3.852 . 0 0 "[ . 1 . 2]" 1
555 1 73 PHE HD1 1 74 LEU H . . 4.690 4.742 4.219 5.322 0.632 17 5 "[- .* 1* . +* 2]" 1
556 1 71 ARG HA 1 74 LEU H . . 3.890 3.980 3.306 4.781 0.891 15 8 "[* - .* ** + ** 2]" 1
557 1 73 PHE QB 1 74 LEU H . . 3.940 3.226 2.700 3.884 . 0 0 "[ . 1 . 2]" 1
558 1 74 LEU H 1 74 LEU HB3 . . 3.600 3.126 2.513 3.683 0.083 15 0 "[ . 1 . 2]" 1
559 1 74 LEU H 1 74 LEU HB2 . . 3.600 2.369 2.049 2.716 . 0 0 "[ . 1 . 2]" 1
560 1 74 LEU H 1 74 LEU QD . . 3.990 3.479 2.397 3.909 . 0 0 "[ . 1 . 2]" 1
561 1 25 MET H 1 27 LYS H . . 4.330 4.004 3.816 4.109 . 0 0 "[ . 1 . 2]" 1
562 1 27 LYS H 1 29 HIS H . . 4.330 4.099 4.021 4.254 . 0 0 "[ . 1 . 2]" 1
563 1 25 MET HA 1 27 LYS H . . 4.350 4.199 4.058 4.359 0.009 10 0 "[ . 1 . 2]" 1
564 1 27 LYS H 1 27 LYS QB . . 2.730 2.255 2.054 2.535 . 0 0 "[ . 1 . 2]" 1
565 1 26 ALA MB 1 27 LYS H . . 3.110 2.637 2.455 2.801 . 0 0 "[ . 1 . 2]" 1
566 1 27 LYS H 1 27 LYS QG . . 3.580 2.774 2.021 3.741 0.161 12 0 "[ . 1 . 2]" 1
567 1 22 ILE H 1 23 GLU H . . 3.160 2.742 2.463 2.938 . 0 0 "[ . 1 . 2]" 1
568 1 19 ASN HA 1 22 ILE H . . 4.330 3.427 3.194 3.688 . 0 0 "[ . 1 . 2]" 1
569 1 18 VAL HA 1 22 ILE H . . 4.190 4.017 3.823 4.228 0.038 7 0 "[ . 1 . 2]" 1
570 1 22 ILE H 1 22 ILE HG12 . . 3.010 2.118 1.947 2.325 . 0 0 "[ . 1 . 2]" 1
571 1 22 ILE H 1 22 ILE HB . . 3.030 2.553 2.473 2.651 . 0 0 "[ . 1 . 2]" 1
572 1 21 ALA MB 1 22 ILE H . . 3.290 2.456 2.217 2.707 . 0 0 "[ . 1 . 2]" 1
573 1 22 ILE H 1 22 ILE MG . . 4.120 3.764 3.758 3.767 . 0 0 "[ . 1 . 2]" 1
574 1 22 ILE H 1 22 ILE HG13 . . 4.330 3.618 3.512 3.748 . 0 0 "[ . 1 . 2]" 1
575 1 86 ILE H 1 88 THR H . . 3.950 4.045 3.850 4.195 0.245 16 0 "[ . 1 . 2]" 1
576 1 86 ILE H 1 87 LEU H . . 3.260 2.736 2.627 2.903 . 0 0 "[ . 1 . 2]" 1
577 1 83 LYS HA 1 86 ILE H . . 3.940 3.407 3.118 3.591 . 0 0 "[ . 1 . 2]" 1
578 1 85 GLN QB 1 86 ILE H . . 2.930 2.349 2.300 2.450 . 0 0 "[ . 1 . 2]" 1
579 1 86 ILE H 1 86 ILE HB . . 2.980 2.545 2.494 2.587 . 0 0 "[ . 1 . 2]" 1
580 1 86 ILE H 1 87 LEU HB2 . . 5.070 5.039 4.705 5.328 0.258 16 0 "[ . 1 . 2]" 1
581 1 86 ILE H 1 87 LEU HB3 . . 5.500 4.908 4.688 5.263 . 0 0 "[ . 1 . 2]" 1
582 1 82 THR MG 1 86 ILE H . . 4.490 3.853 3.361 4.338 . 0 0 "[ . 1 . 2]" 1
583 1 86 ILE H 1 88 THR MG . . 4.810 6.352 6.207 6.460 1.650 15 20 [***-**********+*****] 1
584 1 26 ALA H 1 28 GLU H . . 4.500 4.332 4.059 4.502 0.002 1 0 "[ . 1 . 2]" 1
585 1 25 MET HA 1 28 GLU H . . 3.660 3.379 3.294 3.464 . 0 0 "[ . 1 . 2]" 1
586 1 28 GLU H 1 28 GLU HB2 . . 3.090 2.336 2.171 2.572 . 0 0 "[ . 1 . 2]" 1
587 1 28 GLU H 1 28 GLU HB3 . . 3.090 2.745 2.551 2.949 . 0 0 "[ . 1 . 2]" 1
588 1 26 ALA MB 1 28 GLU H . . 5.200 4.590 4.389 4.738 . 0 0 "[ . 1 . 2]" 1
589 1 27 LYS QG 1 28 GLU H . . 5.380 3.797 1.994 4.358 . 0 0 "[ . 1 . 2]" 1
590 1 84 GLN H 1 85 GLN H . . 3.040 2.717 2.628 2.863 . 0 0 "[ . 1 . 2]" 1
591 1 82 THR HA 1 85 GLN H . . 3.300 3.433 3.220 3.678 0.378 2 0 "[ . 1 . 2]" 1
592 1 84 GLN QG 1 85 GLN H . . 2.810 3.858 1.925 4.497 1.687 12 16 "[*** * -*** +**** ***]" 1
593 1 85 GLN H 1 86 ILE MD . . 4.510 3.735 3.427 4.094 . 0 0 "[ . 1 . 2]" 1
594 1 39 LYS H 1 42 GLU H . . 4.730 3.791 3.219 4.232 . 0 0 "[ . 1 . 2]" 1
595 1 42 GLU H 1 43 VAL H . . 3.180 2.318 1.818 2.821 . 0 0 "[ . 1 . 2]" 1
596 1 40 ILE HA 1 42 GLU H . . 4.580 4.051 3.620 4.457 . 0 0 "[ . 1 . 2]" 1
597 1 39 LYS HB3 1 42 GLU H . . 4.490 3.315 2.464 4.158 . 0 0 "[ . 1 . 2]" 1
598 1 39 LYS HB2 1 42 GLU H . . 4.490 3.538 2.671 4.193 . 0 0 "[ . 1 . 2]" 1
599 1 41 THR MG 1 42 GLU H . . 4.590 3.270 1.907 4.298 . 0 0 "[ . 1 . 2]" 1
600 1 19 ASN H 1 21 ALA H . . 4.280 4.075 3.955 4.163 . 0 0 "[ . 1 . 2]" 1
601 1 20 ASN H 1 21 ALA H . . 3.180 2.728 2.610 2.785 . 0 0 "[ . 1 . 2]" 1
602 1 19 ASN HA 1 21 ALA H . . 4.650 4.073 3.863 4.230 . 0 0 "[ . 1 . 2]" 1
603 1 17 VAL HA 1 21 ALA H . . 4.730 4.143 3.932 4.417 . 0 0 "[ . 1 . 2]" 1
604 1 20 ASN QB 1 21 ALA H . . 3.030 2.832 2.776 2.932 . 0 0 "[ . 1 . 2]" 1
605 1 21 ALA H 1 21 ALA MB . . 2.820 2.192 2.074 2.292 . 0 0 "[ . 1 . 2]" 1
606 1 46 TYR H 1 47 GLU H . . 2.850 3.028 2.974 3.055 0.205 4 0 "[ . 1 . 2]" 1
607 1 46 TYR QD 1 47 GLU H . . 4.900 4.746 4.693 4.837 . 0 0 "[ . 1 . 2]" 1
608 1 46 TYR HB3 1 47 GLU H . . 4.530 4.416 4.368 4.488 . 0 0 "[ . 1 . 2]" 1
609 1 46 TYR HB2 1 47 GLU H . . 4.120 4.213 4.179 4.239 0.119 4 0 "[ . 1 . 2]" 1
610 1 47 GLU H 1 47 GLU HB2 . . 2.950 2.261 2.203 2.331 . 0 0 "[ . 1 . 2]" 1
611 1 61 LYS HA 1 62 GLU H . . 3.150 2.500 2.208 2.856 . 0 0 "[ . 1 . 2]" 1
612 1 62 GLU H 1 62 GLU HB2 . . 4.050 2.614 2.211 3.660 . 0 0 "[ . 1 . 2]" 1
613 1 62 GLU H 1 62 GLU HB3 . . 4.050 3.294 2.688 3.863 . 0 0 "[ . 1 . 2]" 1
614 1 61 LYS HG2 1 62 GLU H . . 5.500 4.111 2.062 5.191 . 0 0 "[ . 1 . 2]" 1
615 1 61 LYS HG3 1 62 GLU H . . 5.500 4.134 1.971 5.280 . 0 0 "[ . 1 . 2]" 1
616 1 77 ILE H 1 79 ILE H . . 4.230 5.118 3.792 5.392 1.162 6 18 "[ *-**+*********** **]" 1
617 1 77 ILE H 1 77 ILE HB . . 3.130 3.402 2.678 3.844 0.714 11 12 "[*- * * **+* *.** *2]" 1
618 1 77 ILE H 1 77 ILE MG . . 4.390 3.850 2.942 3.985 . 0 0 "[ . 1 . 2]" 1
619 1 77 ILE H 1 77 ILE MD . . 4.670 3.700 1.919 4.341 . 0 0 "[ . 1 . 2]" 1
620 1 48 ASP H 1 50 ALA H . . 4.460 4.082 3.847 4.360 . 0 0 "[ . 1 . 2]" 1
621 1 49 THR H 1 50 ALA H . . 3.100 2.883 2.763 3.014 . 0 0 "[ . 1 . 2]" 1
622 1 46 TYR QD 1 50 ALA H . . 4.820 4.195 3.873 4.302 . 0 0 "[ . 1 . 2]" 1
623 1 46 TYR HA 1 50 ALA H . . 4.230 3.494 3.015 3.729 . 0 0 "[ . 1 . 2]" 1
624 1 49 THR HB 1 50 ALA H . . 4.430 3.504 3.060 3.955 . 0 0 "[ . 1 . 2]" 1
625 1 46 TYR HB3 1 50 ALA H . . 4.490 3.954 3.626 4.244 . 0 0 "[ . 1 . 2]" 1
626 1 46 TYR HB2 1 50 ALA H . . 5.500 5.349 5.036 5.522 0.022 1 0 "[ . 1 . 2]" 1
627 1 3 GLN HB3 1 50 ALA H . . 4.950 4.732 4.399 4.947 . 0 0 "[ . 1 . 2]" 1
628 1 50 ALA H 1 50 ALA MB . . 2.840 2.178 2.082 2.241 . 0 0 "[ . 1 . 2]" 1
629 1 49 THR MG 1 50 ALA H . . 4.320 3.427 1.981 3.964 . 0 0 "[ . 1 . 2]" 1
630 1 2 LYS H 1 34 ASP H . . 4.160 3.266 2.709 3.910 . 0 0 "[ . 1 . 2]" 1
631 1 2 LYS H 1 33 VAL HA . . 3.280 2.638 2.185 3.005 . 0 0 "[ . 1 . 2]" 1
632 1 2 LYS H 1 2 LYS HB3 . . 4.080 3.653 3.500 3.817 . 0 0 "[ . 1 . 2]" 1
633 1 2 LYS H 1 32 LYS QB . . 4.430 3.711 3.205 4.310 . 0 0 "[ . 1 . 2]" 1
634 1 2 LYS H 1 2 LYS HG2 . . 3.540 3.099 2.358 3.749 0.209 10 0 "[ . 1 . 2]" 1
635 1 2 LYS H 1 2 LYS HB2 . . 4.080 2.492 2.200 2.706 . 0 0 "[ . 1 . 2]" 1
636 1 63 TYR H 1 64 LYS H . . 4.650 4.556 4.344 4.643 . 0 0 "[ . 1 . 2]" 1
637 1 62 GLU H 1 63 TYR H . . 4.510 3.491 2.273 4.261 . 0 0 "[ . 1 . 2]" 1
638 1 63 TYR H 1 63 TYR QD . . 3.560 3.117 2.188 3.813 0.253 15 0 "[ . 1 . 2]" 1
639 1 63 TYR H 1 63 TYR QE . . 4.720 4.806 4.027 5.454 0.734 15 4 "[ . * 1 - + *]" 1
640 1 62 GLU HA 1 63 TYR H . . 2.700 2.486 2.143 2.865 0.165 10 0 "[ . 1 . 2]" 1
641 1 63 TYR H 1 63 TYR QB . . 3.250 2.389 2.195 2.590 . 0 0 "[ . 1 . 2]" 1
642 1 17 VAL H 1 18 VAL H . . 3.290 2.859 2.770 2.951 . 0 0 "[ . 1 . 2]" 1
643 1 17 VAL HB 1 18 VAL H . . 3.090 2.492 2.222 2.751 . 0 0 "[ . 1 . 2]" 1
644 1 18 VAL H 1 18 VAL HB . . 3.040 2.653 2.597 2.689 . 0 0 "[ . 1 . 2]" 1
645 1 18 VAL H 1 18 VAL MG1 . . 3.870 3.760 3.755 3.771 . 0 0 "[ . 1 . 2]" 1
646 1 18 VAL H 1 18 VAL MG2 . . 3.870 2.103 2.023 2.208 . 0 0 "[ . 1 . 2]" 1
647 1 17 VAL QG 1 18 VAL H . . 3.540 3.124 2.953 3.300 . 0 0 "[ . 1 . 2]" 1
648 1 66 PRO HA 1 67 VAL H . . 2.670 2.375 2.323 2.412 . 0 0 "[ . 1 . 2]" 1
649 1 66 PRO QB 1 67 VAL H . . 3.700 3.879 3.836 3.907 0.207 17 0 "[ . 1 . 2]" 1
650 1 67 VAL H 1 67 VAL HB . . 3.060 2.602 2.525 2.667 . 0 0 "[ . 1 . 2]" 1
651 1 67 VAL H 1 67 VAL MG2 . . 4.000 2.161 2.059 2.274 . 0 0 "[ . 1 . 2]" 1
652 1 67 VAL H 1 67 VAL MG1 . . 4.000 3.764 3.760 3.768 . 0 0 "[ . 1 . 2]" 1
653 1 63 TYR HA 1 64 LYS H . . 3.150 2.262 2.159 2.445 . 0 0 "[ . 1 . 2]" 1
654 1 80 GLU H 1 80 GLU QG . . 3.390 2.363 1.938 3.307 . 0 0 "[ . 1 . 2]" 1
655 1 55 THR H 1 55 THR MG . . 3.100 2.270 2.000 2.499 . 0 0 "[ . 1 . 2]" 1
656 1 55 THR H 1 55 THR HB . . 4.030 3.390 3.248 3.526 . 0 0 "[ . 1 . 2]" 1
657 1 31 ILE H 1 31 ILE HB . . 2.950 2.646 2.602 2.704 . 0 0 "[ . 1 . 2]" 1
658 1 83 LYS H 1 84 GLN QG . . 4.600 4.675 3.757 5.420 0.820 8 7 "[**- * + 1 * . *2]" 1
659 1 79 ILE HA 1 83 LYS H . . 4.650 3.794 2.973 4.276 . 0 0 "[ . 1 . 2]" 1
660 1 83 LYS H 1 83 LYS HD3 . . 4.460 4.559 3.737 5.254 0.794 16 4 "[ .* - 1* .+ 2]" 1
661 1 82 THR MG 1 83 LYS H . . 3.930 3.733 3.178 3.993 0.063 9 0 "[ . 1 . 2]" 1
662 1 5 LEU HB2 1 6 VAL H . . 3.680 3.525 3.105 3.639 . 0 0 "[ . 1 . 2]" 1
663 1 6 VAL H 1 6 VAL HB . . 3.900 2.908 2.891 2.916 . 0 0 "[ . 1 . 2]" 1
664 1 6 VAL H 1 6 VAL MG1 . . 4.170 3.941 3.935 3.946 . 0 0 "[ . 1 . 2]" 1
665 1 6 VAL H 1 6 VAL MG2 . . 4.170 3.051 3.006 3.094 . 0 0 "[ . 1 . 2]" 1
666 1 6 VAL H 1 38 ILE MD . . 3.710 2.345 1.916 3.026 . 0 0 "[ . 1 . 2]" 1
667 1 5 LEU H 1 6 VAL H . . 4.850 4.532 4.462 4.575 . 0 0 "[ . 1 . 2]" 1
668 1 6 VAL H 1 37 GLN H . . 5.260 4.777 4.153 5.357 0.097 4 0 "[ . 1 . 2]" 1
669 1 22 ILE HA 1 26 ALA H . . 4.600 3.780 3.540 3.981 . 0 0 "[ . 1 . 2]" 1
670 1 26 ALA H 1 26 ALA MB . . 2.800 2.187 2.028 2.236 . 0 0 "[ . 1 . 2]" 1
671 1 33 VAL HA 1 34 ASP H . . 2.680 2.172 2.140 2.227 . 0 0 "[ . 1 . 2]" 1
672 1 34 ASP H 1 35 ILE H . . 4.810 4.099 3.644 4.568 . 0 0 "[ . 1 . 2]" 1
673 1 35 ILE H 1 35 ILE HB . . 2.980 2.594 2.502 2.929 . 0 0 "[ . 1 . 2]" 1
674 1 35 ILE H 1 35 ILE HG13 . . 3.900 2.244 1.947 2.942 . 0 0 "[ . 1 . 2]" 1
675 1 35 ILE H 1 35 ILE MG . . 4.750 3.794 3.763 3.966 . 0 0 "[ . 1 . 2]" 1
676 1 35 ILE H 1 35 ILE HG12 . . 3.900 3.567 3.259 4.013 0.113 5 0 "[ . 1 . 2]" 1
677 1 53 LEU H 1 65 PHE QE . . 3.810 4.579 4.061 4.970 1.160 13 17 "[******* ***+***** -]" 1
678 1 53 LEU H 1 67 VAL HA . . 3.570 3.530 3.169 3.590 0.020 9 0 "[ . 1 . 2]" 1
679 1 52 LEU HA 1 53 LEU H . . 2.960 2.308 2.155 2.482 . 0 0 "[ . 1 . 2]" 1
680 1 53 LEU H 1 53 LEU HB3 . . 3.640 2.711 2.472 2.959 . 0 0 "[ . 1 . 2]" 1
681 1 53 LEU H 1 68 ILE HB . . 4.530 5.263 4.858 5.520 0.990 9 17 "[*** ****+*-* *** ***]" 1
682 1 53 LEU H 1 53 LEU HB2 . . 3.640 3.343 2.860 3.532 . 0 0 "[ . 1 . 2]" 1
683 1 4 VAL QG 1 53 LEU H . . 4.060 3.686 2.987 4.260 0.200 9 0 "[ . 1 . 2]" 1
684 1 53 LEU H 1 54 VAL QG . . 4.320 3.812 3.526 4.377 0.057 9 0 "[ . 1 . 2]" 1
685 1 52 LEU QD 1 53 LEU H . . 3.180 2.193 1.864 2.737 . 0 0 "[ . 1 . 2]" 1
686 1 36 LYS HB3 1 37 GLN H . . 3.840 3.204 2.182 3.597 . 0 0 "[ . 1 . 2]" 1
687 1 55 THR H 1 68 ILE H . . 4.630 3.727 3.398 3.984 . 0 0 "[ . 1 . 2]" 1
688 1 53 LEU H 1 68 ILE H . . 4.200 4.260 3.825 4.463 0.263 18 0 "[ . 1 . 2]" 1
689 1 67 VAL H 1 68 ILE H . . 4.490 4.624 4.588 4.634 0.144 10 0 "[ . 1 . 2]" 1
690 1 67 VAL HA 1 68 ILE H . . 2.760 2.234 2.178 2.255 . 0 0 "[ . 1 . 2]" 1
691 1 68 ILE H 1 68 ILE HB . . 3.190 2.701 2.581 2.810 . 0 0 "[ . 1 . 2]" 1
692 1 53 LEU HG 1 68 ILE H . . 4.280 4.512 4.023 4.986 0.706 17 2 "[ - . 1 . + 2]" 1
693 1 67 VAL MG2 1 68 ILE H . . 4.150 3.915 3.875 3.941 . 0 0 "[ . 1 . 2]" 1
694 1 67 VAL MG1 1 68 ILE H . . 4.150 2.118 1.959 2.408 . 0 0 "[ . 1 . 2]" 1
695 1 54 VAL QG 1 68 ILE H . . 4.140 3.384 2.898 3.678 . 0 0 "[ . 1 . 2]" 1
696 1 7 ALA H 1 54 VAL H . . 4.530 3.950 3.437 4.334 . 0 0 "[ . 1 . 2]" 1
697 1 53 LEU HA 1 54 VAL H . . 2.920 2.187 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
698 1 6 VAL HA 1 54 VAL H . . 3.750 3.124 2.689 3.444 . 0 0 "[ . 1 . 2]" 1
699 1 54 VAL H 1 54 VAL HB . . 3.280 2.735 2.517 2.914 . 0 0 "[ . 1 . 2]" 1
700 1 53 LEU HG 1 54 VAL H . . 3.640 3.073 2.466 3.644 0.004 14 0 "[ . 1 . 2]" 1
701 1 3 GLN HA 1 4 VAL H . . 2.780 2.154 2.139 2.194 . 0 0 "[ . 1 . 2]" 1
702 1 3 GLN HG3 1 4 VAL H . . 3.940 3.480 2.986 3.840 . 0 0 "[ . 1 . 2]" 1
703 1 4 VAL H 1 4 VAL HB . . 3.180 2.664 2.570 2.805 . 0 0 "[ . 1 . 2]" 1
704 1 3 GLN HB2 1 4 VAL H . . 4.490 4.459 4.296 4.553 0.063 17 0 "[ . 1 . 2]" 1
705 1 3 GLN HG2 1 4 VAL H . . 3.940 3.660 3.210 3.943 0.003 6 0 "[ . 1 . 2]" 1
706 1 4 VAL H 1 4 VAL QG . . 3.130 2.736 2.558 2.867 . 0 0 "[ . 1 . 2]" 1
707 1 69 ASN HA 1 70 ALA H . . 2.780 2.179 2.143 2.216 . 0 0 "[ . 1 . 2]" 1
708 1 56 THR HA 1 70 ALA H . . 3.800 2.395 1.957 3.169 . 0 0 "[ . 1 . 2]" 1
709 1 70 ALA H 1 70 ALA MB . . 3.050 2.263 2.205 2.405 . 0 0 "[ . 1 . 2]" 1
710 1 54 VAL QG 1 70 ALA H . . 4.270 3.368 2.787 3.753 . 0 0 "[ . 1 . 2]" 1
711 1 31 ILE HA 1 32 LYS H . . 2.880 2.289 2.260 2.345 . 0 0 "[ . 1 . 2]" 1
712 1 32 LYS H 1 32 LYS QB . . 3.190 2.450 2.170 2.658 . 0 0 "[ . 1 . 2]" 1
713 1 31 ILE HB 1 32 LYS H . . 4.910 3.689 3.514 3.791 . 0 0 "[ . 1 . 2]" 1
714 1 31 ILE MG 1 32 LYS H . . 3.380 2.000 1.902 2.128 . 0 0 "[ . 1 . 2]" 1
715 1 56 THR H 1 57 ALA H . . 3.780 2.490 1.907 3.195 . 0 0 "[ . 1 . 2]" 1
716 1 55 THR HA 1 57 ALA H . . 4.460 4.167 4.007 4.359 . 0 0 "[ . 1 . 2]" 1
717 1 8 CYS HA 1 57 ALA H . . 4.620 3.888 2.792 4.622 0.002 2 0 "[ . 1 . 2]" 1
718 1 55 THR HB 1 57 ALA H . . 4.800 4.619 4.351 4.806 0.006 5 0 "[ . 1 . 2]" 1
719 1 57 ALA H 1 57 ALA MB . . 3.180 2.334 2.032 2.878 . 0 0 "[ . 1 . 2]" 1
720 1 55 THR MG 1 57 ALA H . . 4.320 3.597 2.670 4.206 . 0 0 "[ . 1 . 2]" 1
721 1 56 THR MG 1 57 ALA H . . 4.580 3.652 1.926 4.302 . 0 0 "[ . 1 . 2]" 1
722 1 35 ILE H 1 36 LYS H . . 4.590 4.542 3.979 4.623 0.033 19 0 "[ . 1 . 2]" 1
723 1 36 LYS H 1 37 GLN H . . 4.470 4.369 4.246 4.558 0.088 5 0 "[ . 1 . 2]" 1
724 1 4 VAL HB 1 36 LYS H . . 4.520 3.943 3.633 4.226 . 0 0 "[ . 1 . 2]" 1
725 1 35 ILE HB 1 36 LYS H . . 4.930 3.987 3.722 4.289 . 0 0 "[ . 1 . 2]" 1
726 1 36 LYS H 1 36 LYS HB2 . . 3.450 2.759 2.348 2.939 . 0 0 "[ . 1 . 2]" 1
727 1 36 LYS H 1 36 LYS HB3 . . 4.000 3.355 3.045 3.756 . 0 0 "[ . 1 . 2]" 1
728 1 35 ILE MG 1 36 LYS H . . 3.160 2.239 1.919 2.810 . 0 0 "[ . 1 . 2]" 1
729 1 68 ILE HA 1 69 ASN H . . 2.940 2.170 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
730 1 68 ILE HB 1 69 ASN H . . 4.620 4.181 3.776 4.413 . 0 0 "[ . 1 . 2]" 1
731 1 69 ASN H 1 82 THR MG . . 5.500 4.761 3.628 5.461 . 0 0 "[ . 1 . 2]" 1
732 1 68 ILE MG 1 69 ASN H . . 3.430 2.550 1.952 2.974 . 0 0 "[ . 1 . 2]" 1
733 1 18 VAL H 1 19 ASN H . . 3.270 3.003 2.821 3.089 . 0 0 "[ . 1 . 2]" 1
734 1 19 ASN H 1 19 ASN QB . . 3.080 2.218 2.166 2.252 . 0 0 "[ . 1 . 2]" 1
735 1 18 VAL HB 1 19 ASN H . . 3.250 2.073 1.976 2.252 . 0 0 "[ . 1 . 2]" 1
736 1 18 VAL MG2 1 19 ASN H . . 4.130 3.572 3.516 3.666 . 0 0 "[ . 1 . 2]" 1
737 1 18 VAL MG1 1 19 ASN H . . 4.130 3.122 2.932 3.354 . 0 0 "[ . 1 . 2]" 1
738 1 21 ALA HA 1 24 GLU H . . 3.910 3.621 3.312 3.776 . 0 0 "[ . 1 . 2]" 1
739 1 87 LEU HA 1 90 LEU H . . 3.800 3.030 2.818 3.412 . 0 0 "[ . 1 . 2]" 1
740 1 90 LEU H 1 90 LEU MD1 . . 4.400 3.509 1.972 4.277 . 0 0 "[ . 1 . 2]" 1
741 1 23 GLU H 1 24 GLU H . . 3.100 2.697 2.476 2.792 . 0 0 "[ . 1 . 2]" 1
742 1 38 ILE HA 1 39 LYS H . . 2.950 2.523 2.360 2.642 . 0 0 "[ . 1 . 2]" 1
743 1 38 ILE HB 1 39 LYS H . . 3.110 2.284 2.091 2.573 . 0 0 "[ . 1 . 2]" 1
744 1 39 LYS H 1 42 GLU HB2 . . 4.500 2.327 1.941 3.241 . 0 0 "[ . 1 . 2]" 1
745 1 38 ILE HG12 1 39 LYS H . . 4.060 2.808 2.581 3.228 . 0 0 "[ . 1 . 2]" 1
746 1 38 ILE MG 1 39 LYS H . . 4.220 3.813 3.709 3.935 . 0 0 "[ . 1 . 2]" 1
747 1 38 ILE MD 1 39 LYS H . . 4.540 3.923 3.734 4.155 . 0 0 "[ . 1 . 2]" 1
748 1 39 LYS H 1 39 LYS HB2 . . 3.780 2.205 2.108 2.376 . 0 0 "[ . 1 . 2]" 1
749 1 39 LYS H 1 39 LYS HB3 . . 3.780 3.402 3.085 3.604 . 0 0 "[ . 1 . 2]" 1
750 1 3 GLN HE21 1 46 TYR QD . . 4.190 3.774 2.766 4.157 . 0 0 "[ . 1 . 2]" 1
751 1 3 GLN HB2 1 3 GLN HE21 . . 4.640 4.126 3.518 4.349 . 0 0 "[ . 1 . 2]" 1
752 1 3 GLN HE22 1 46 TYR QD . . 4.190 3.498 1.967 4.000 . 0 0 "[ . 1 . 2]" 1
753 1 3 GLN HB2 1 3 GLN HE22 . . 4.640 4.419 4.062 4.599 . 0 0 "[ . 1 . 2]" 1
754 1 91 GLN H 1 91 GLN QE . . 5.040 3.646 3.224 3.960 . 0 0 "[ . 1 . 2]" 1
755 1 87 LEU HG 1 91 GLN QE . . 4.470 2.669 1.940 3.088 . 0 0 "[ . 1 . 2]" 1
756 1 87 LEU MD1 1 91 GLN QE . . 4.590 3.706 3.167 3.927 . 0 0 "[ . 1 . 2]" 1
757 1 87 LEU MD2 1 91 GLN QE . . 4.590 3.270 2.277 3.630 . 0 0 "[ . 1 . 2]" 1
758 1 84 GLN QG 1 85 GLN QE . . 3.850 3.585 1.937 4.265 0.415 20 0 "[ . 1 . 2]" 1
759 1 16 THR MG 1 20 ASN QD . . 3.650 2.048 1.876 2.443 . 0 0 "[ . 1 . 2]" 1
760 1 31 ILE MD 1 91 GLN QE . . 4.260 4.762 4.277 4.994 0.734 17 12 "[****- **** * + *2]" 1
761 1 72 ASN QD 1 79 ILE H . . 4.630 4.055 3.029 4.677 0.047 18 0 "[ . 1 . 2]" 1
762 1 72 ASN QD 1 82 THR HB . . 4.560 3.998 2.083 4.713 0.153 20 0 "[ . 1 . 2]" 1
763 1 5 LEU H 1 52 LEU H . . 4.580 4.394 3.941 4.590 0.010 9 0 "[ . 1 . 2]" 1
764 1 5 LEU H 1 5 LEU HB2 . . 3.350 2.349 2.209 2.547 . 0 0 "[ . 1 . 2]" 1
765 1 5 LEU H 1 5 LEU HG . . 3.160 3.393 2.609 4.093 0.933 9 8 "[** .* +1*** . -]" 1
766 1 5 LEU H 1 5 LEU HB3 . . 3.990 3.594 3.511 3.719 . 0 0 "[ . 1 . 2]" 1
767 1 46 TYR H 1 46 TYR HB2 . . 3.280 2.382 2.287 2.556 . 0 0 "[ . 1 . 2]" 1
768 1 46 TYR H 1 46 TYR HB3 . . 3.630 3.606 3.558 3.659 0.029 8 0 "[ . 1 . 2]" 1
769 1 73 PHE H 1 74 LEU H . . 3.230 2.868 2.549 3.240 0.010 10 0 "[ . 1 . 2]" 1
770 1 73 PHE H 1 73 PHE HD1 . . 3.580 2.167 1.942 2.502 . 0 0 "[ . 1 . 2]" 1
771 1 15 SER H 1 15 SER QB . . 3.640 2.729 2.160 2.986 . 0 0 "[ . 1 . 2]" 1
772 1 70 ALA MB 1 73 PHE H . . 4.830 3.574 3.056 3.920 . 0 0 "[ . 1 . 2]" 1
773 1 73 PHE H 1 75 THR MG . . 5.250 5.514 4.318 6.998 1.748 11 7 "[* * .* *+ . *- 2]" 1
774 1 44 GLY H 1 46 TYR H . . 4.120 3.826 3.486 3.893 . 0 0 "[ . 1 . 2]" 1
775 1 73 PHE H 1 76 GLY H . . 4.840 5.932 4.617 6.680 1.840 2 15 "[*+* ** ****- *** **2]" 1
776 1 4 VAL H 1 51 ASP H . . 5.210 5.098 4.655 5.413 0.203 20 0 "[ . 1 . 2]" 1
777 1 2 LYS HA 1 51 ASP H . . 5.500 4.986 4.364 5.371 . 0 0 "[ . 1 . 2]" 1
778 1 48 ASP H 1 48 ASP HB2 . . 3.690 2.620 2.259 3.598 . 0 0 "[ . 1 . 2]" 1
779 1 48 ASP H 1 48 ASP HB3 . . 3.690 3.140 2.387 3.690 0.000 20 0 "[ . 1 . 2]" 1
780 1 87 LEU MD1 1 88 THR H . . 4.900 4.712 4.331 4.918 0.018 5 0 "[ . 1 . 2]" 1
781 1 89 GLU H 1 91 GLN H . . 4.490 4.135 3.716 4.517 0.027 8 0 "[ . 1 . 2]" 1
782 1 15 SER H 1 15 SER HA . . 2.900 2.863 2.279 2.945 0.045 6 0 "[ . 1 . 2]" 1
783 1 54 VAL HA 1 70 ALA H . . 5.010 5.128 4.627 5.503 0.493 13 0 "[ . 1 . 2]" 1
784 1 4 VAL H 1 35 ILE HA . . 3.560 3.482 3.145 3.571 0.011 20 0 "[ . 1 . 2]" 1
785 1 3 GLN HB3 1 4 VAL H . . 4.500 4.239 4.038 4.405 . 0 0 "[ . 1 . 2]" 1
786 1 35 ILE HA 1 36 LYS H . . 2.760 2.206 2.143 2.273 . 0 0 "[ . 1 . 2]" 1
787 1 5 LEU H 1 54 VAL H . . 4.510 4.234 3.845 4.517 0.007 6 0 "[ . 1 . 2]" 1
788 1 3 GLN HA 1 35 ILE H . . 5.500 5.591 5.309 5.902 0.402 10 0 "[ . 1 . 2]" 1
789 1 34 ASP HA 1 35 ILE H . . 2.650 2.264 2.140 2.612 . 0 0 "[ . 1 . 2]" 1
790 1 6 VAL H 1 36 LYS H . . 5.300 4.719 4.310 5.522 0.222 13 0 "[ . 1 . 2]" 1
791 1 5 LEU HA 1 6 VAL H . . 2.860 2.515 2.461 2.630 . 0 0 "[ . 1 . 2]" 1
792 1 6 VAL H 1 36 LYS HB2 . . 5.120 5.271 4.932 5.411 0.291 9 0 "[ . 1 . 2]" 1
793 1 5 LEU HG 1 6 VAL H . . 5.110 4.319 3.472 4.807 . 0 0 "[ . 1 . 2]" 1
794 1 80 GLU H 1 83 LYS H . . 4.920 4.698 3.953 4.938 0.018 8 0 "[ . 1 . 2]" 1
795 1 83 LYS H 1 85 GLN H . . 4.540 4.311 4.186 4.465 . 0 0 "[ . 1 . 2]" 1
796 1 33 VAL H 1 34 ASP H . . 4.470 4.397 4.236 4.476 0.006 2 0 "[ . 1 . 2]" 1
797 1 33 VAL H 1 34 ASP HA . . 5.020 4.927 4.687 5.040 0.020 19 0 "[ . 1 . 2]" 1
798 1 26 ALA MB 1 33 VAL H . . 4.290 4.226 3.974 4.302 0.012 19 0 "[ . 1 . 2]" 1
799 1 23 GLU H 1 25 MET H . . 4.540 4.199 3.967 4.343 . 0 0 "[ . 1 . 2]" 1
800 1 23 GLU H 1 23 GLU HG3 . . 4.690 3.216 2.081 3.737 . 0 0 "[ . 1 . 2]" 1
801 1 21 ALA MB 1 23 GLU H . . 4.790 4.530 4.188 4.711 . 0 0 "[ . 1 . 2]" 1
802 1 23 GLU H 1 26 ALA MB . . 5.220 4.565 4.333 4.733 . 0 0 "[ . 1 . 2]" 1
803 1 71 ARG H 1 71 ARG HG2 . . 3.690 2.646 1.950 3.921 0.231 6 0 "[ . 1 . 2]" 1
804 1 71 ARG H 1 71 ARG HG3 . . 3.690 3.251 2.286 3.846 0.156 15 0 "[ . 1 . 2]" 1
805 1 37 GLN H 1 38 ILE H . . 4.390 4.235 3.893 4.424 0.034 15 0 "[ . 1 . 2]" 1
806 1 6 VAL HA 1 38 ILE H . . 5.480 5.044 4.726 5.494 0.014 4 0 "[ . 1 . 2]" 1
807 1 38 ILE H 1 39 LYS HA . . 5.500 4.891 4.811 5.013 . 0 0 "[ . 1 . 2]" 1
808 1 38 ILE H 1 38 ILE HG12 . . 3.840 3.588 3.486 3.713 . 0 0 "[ . 1 . 2]" 1
809 1 38 ILE H 1 38 ILE MD . . 3.130 1.871 1.850 1.921 . 0 0 "[ . 1 . 2]" 1
810 1 15 SER HA 1 16 THR H . . 2.810 2.517 2.137 2.845 0.035 9 0 "[ . 1 . 2]" 1
811 1 27 LYS H 1 30 ASN H . . 4.410 4.595 4.485 4.758 0.348 11 0 "[ . 1 . 2]" 1
812 1 84 GLN H 1 85 GLN QE . . 5.500 4.129 3.580 4.672 . 0 0 "[ . 1 . 2]" 1
813 1 83 LYS HB2 1 84 GLN H . . 3.870 3.399 2.748 3.885 0.015 10 0 "[ . 1 . 2]" 1
814 1 21 ALA HA 1 25 MET H . . 5.050 4.527 4.271 4.830 . 0 0 "[ . 1 . 2]" 1
815 1 22 ILE H 1 24 GLU H . . 4.450 4.071 3.974 4.377 . 0 0 "[ . 1 . 2]" 1
816 1 84 GLN H 1 86 ILE H . . 4.400 4.403 4.341 4.425 0.025 4 0 "[ . 1 . 2]" 1
817 1 28 GLU H 1 30 ASN H . . 3.960 3.934 3.829 3.982 0.022 14 0 "[ . 1 . 2]" 1
818 1 82 THR H 1 85 GLN H . . 5.120 5.158 4.953 5.405 0.285 10 0 "[ . 1 . 2]" 1
819 1 83 LYS HA 1 85 GLN H . . 4.560 4.132 3.891 4.446 . 0 0 "[ . 1 . 2]" 1
820 1 45 PRO HA 1 47 GLU H . . 4.100 3.573 3.547 3.589 . 0 0 "[ . 1 . 2]" 1
821 1 79 ILE H 1 81 GLU H . . 4.330 4.100 3.195 4.340 0.010 17 0 "[ . 1 . 2]" 1
822 1 77 ILE HA 1 79 ILE H . . 5.220 3.781 3.147 4.534 . 0 0 "[ . 1 . 2]" 1
823 1 24 GLU H 1 26 ALA H . . 4.240 4.155 3.717 4.419 0.179 20 0 "[ . 1 . 2]" 1
824 1 6 VAL H 1 7 ALA H . . 4.290 3.761 3.392 4.002 . 0 0 "[ . 1 . 2]" 1
825 1 3 GLN HE22 1 36 LYS HE3 . . 4.530 4.251 3.148 5.100 0.570 15 2 "[ . - 1 + 2]" 1
826 1 89 GLU H 1 91 GLN QE . . 4.760 5.260 4.973 5.348 0.588 18 12 "[ * . -**1*** ***+*2]" 1
827 1 91 GLN QE 1 92 LYS H . . 4.260 3.268 2.555 3.917 . 0 0 "[ . 1 . 2]" 1
828 1 63 TYR H 1 65 PHE H . . 5.190 4.989 4.782 5.309 0.119 1 0 "[ . 1 . 2]" 1
829 1 87 LEU HB3 1 89 GLU H . . 4.890 4.988 4.828 5.195 0.305 19 0 "[ . 1 . 2]" 1
830 1 42 GLU H 1 44 GLY H . . 5.370 4.084 3.425 4.869 . 0 0 "[ . 1 . 2]" 1
831 1 44 GLY H 1 45 PRO HG2 . . 5.500 4.534 4.125 4.611 . 0 0 "[ . 1 . 2]" 1
832 1 44 GLY H 1 45 PRO HG3 . . 5.500 4.986 4.616 5.060 . 0 0 "[ . 1 . 2]" 1
833 1 76 GLY H 1 77 ILE HB . . 5.090 4.829 4.262 5.556 0.466 10 0 "[ . 1 . 2]" 1
834 1 41 THR H 1 43 VAL H . . 5.150 4.224 3.851 4.560 . 0 0 "[ . 1 . 2]" 1
835 1 50 ALA H 1 51 ASP H . . 4.710 4.590 4.455 4.646 . 0 0 "[ . 1 . 2]" 1
836 1 3 GLN HA 1 51 ASP H . . 4.720 4.882 4.585 5.026 0.306 19 0 "[ . 1 . 2]" 1
837 1 4 VAL HA 1 51 ASP H . . 4.600 3.771 3.158 4.440 . 0 0 "[ . 1 . 2]" 1
838 1 46 TYR H 1 48 ASP H . . 4.780 5.167 5.033 5.386 0.606 12 2 "[ . 1 + . - 2]" 1
839 1 48 ASP H 1 49 THR HA . . 5.500 5.180 4.665 5.334 . 0 0 "[ . 1 . 2]" 1
840 1 86 ILE MG 1 88 THR H . . 5.260 4.739 4.525 4.941 . 0 0 "[ . 1 . 2]" 1
841 1 87 LEU MD2 1 88 THR H . . 4.900 4.372 3.897 4.698 . 0 0 "[ . 1 . 2]" 1
842 1 20 ASN H 1 20 ASN QD . . 4.680 2.038 1.892 2.696 . 0 0 "[ . 1 . 2]" 1
843 1 19 ASN HD22 1 20 ASN H . . 5.030 4.680 4.239 4.774 . 0 0 "[ . 1 . 2]" 1
844 1 55 THR HB 1 56 THR H . . 4.590 3.878 3.715 4.196 . 0 0 "[ . 1 . 2]" 1
845 1 56 THR H 1 57 ALA MB . . 4.700 4.062 3.331 4.697 . 0 0 "[ . 1 . 2]" 1
846 1 71 ARG H 1 73 PHE H . . 4.760 4.130 3.945 4.354 . 0 0 "[ . 1 . 2]" 1
847 1 73 PHE H 1 74 LEU HA . . 5.280 5.159 4.817 5.358 0.078 8 0 "[ . 1 . 2]" 1
848 1 14 THR MG 1 15 SER H . . 4.580 3.499 1.944 4.352 . 0 0 "[ . 1 . 2]" 1
849 1 1 MET HA 1 32 LYS H . . 5.500 5.512 4.886 6.204 0.704 12 2 "[ . 1 + . -]" 1
850 1 69 ASN H 1 70 ALA H . . 4.880 4.567 4.467 4.619 . 0 0 "[ . 1 . 2]" 1
851 1 54 VAL H 1 55 THR H . . 4.650 4.230 3.980 4.464 . 0 0 "[ . 1 . 2]" 1
852 1 80 GLU H 1 81 GLU HA . . 5.500 5.285 4.626 5.385 . 0 0 "[ . 1 . 2]" 1
853 1 20 ASN QB 1 23 GLU H . . 5.030 5.308 5.061 5.481 0.451 1 0 "[ . 1 . 2]" 1
854 1 71 ARG H 1 71 ARG HD2 . . 5.500 4.356 3.561 5.368 . 0 0 "[ . 1 . 2]" 1
855 1 71 ARG H 1 71 ARG HD3 . . 5.500 4.416 2.968 5.075 . 0 0 "[ . 1 . 2]" 1
856 1 17 VAL H 1 19 ASN H . . 5.010 4.782 4.572 4.927 . 0 0 "[ . 1 . 2]" 1
857 1 19 ASN H 1 20 ASN QD . . 5.410 4.274 4.056 4.886 . 0 0 "[ . 1 . 2]" 1
858 1 24 GLU H 1 25 MET HA . . 5.500 5.172 5.093 5.297 . 0 0 "[ . 1 . 2]" 1
859 1 19 ASN H 1 21 ALA MB . . 5.080 4.827 4.553 5.095 0.015 20 0 "[ . 1 . 2]" 1
860 1 21 ALA MB 1 24 GLU H . . 5.500 4.595 4.378 4.857 . 0 0 "[ . 1 . 2]" 1
861 1 22 ILE HA 1 24 GLU H . . 4.760 4.130 3.882 4.449 . 0 0 "[ . 1 . 2]" 1
862 1 57 ALA MB 1 58 MET H . . 4.730 2.239 1.927 3.075 . 0 0 "[ . 1 . 2]" 1
863 1 16 THR H 1 16 THR MG . . 4.760 3.830 3.482 3.975 . 0 0 "[ . 1 . 2]" 1
864 1 24 GLU H 1 27 LYS H . . 5.210 4.869 4.701 4.947 . 0 0 "[ . 1 . 2]" 1
865 1 28 GLU H 1 29 HIS HD2 . . 4.590 4.458 4.239 4.609 0.019 3 0 "[ . 1 . 2]" 1
866 1 25 MET QB 1 28 GLU H . . 5.500 4.742 4.546 4.858 . 0 0 "[ . 1 . 2]" 1
867 1 85 GLN H 1 87 LEU H . . 4.710 4.092 3.669 4.415 . 0 0 "[ . 1 . 2]" 1
868 1 85 GLN H 1 88 THR H . . 5.040 4.738 4.613 4.812 . 0 0 "[ . 1 . 2]" 1
869 1 82 THR MG 1 85 GLN H . . 4.760 4.154 3.767 4.583 . 0 0 "[ . 1 . 2]" 1
870 1 47 GLU H 1 49 THR H . . 4.990 3.937 3.206 4.287 . 0 0 "[ . 1 . 2]" 1
871 1 21 ALA H 1 22 ILE HG12 . . 4.920 4.168 3.943 4.387 . 0 0 "[ . 1 . 2]" 1
872 1 21 ALA H 1 22 ILE HB . . 5.340 4.687 4.500 4.840 . 0 0 "[ . 1 . 2]" 1
873 1 82 THR H 1 84 GLN QG . . 5.180 5.217 3.837 6.249 1.069 1 6 "[+-* * * 1 . *2]" 1
874 1 72 ASN HA 1 79 ILE H . . 5.500 6.883 6.457 7.651 2.151 13 20 [-***********+*******] 1
875 1 17 VAL H 1 18 VAL HA . . 5.500 5.422 5.354 5.482 . 0 0 "[ . 1 . 2]" 1
876 1 17 VAL H 1 20 ASN QB . . 5.500 4.476 4.309 5.052 . 0 0 "[ . 1 . 2]" 1
877 1 16 THR HB 1 18 VAL H . . 5.500 5.028 4.649 5.315 . 0 0 "[ . 1 . 2]" 1
878 1 61 LYS H 1 63 TYR QE . . 5.370 5.082 2.046 6.941 1.571 6 4 "[ .+* 1 -. *]" 1
879 1 2 LYS H 1 33 VAL H . . 4.790 4.792 4.427 5.192 0.402 1 0 "[ . 1 . 2]" 1
880 1 53 LEU H 1 54 VAL H . . 4.640 4.273 3.950 4.533 . 0 0 "[ . 1 . 2]" 1
881 1 5 LEU H 1 53 LEU H . . 5.060 5.019 4.855 5.117 0.057 9 0 "[ . 1 . 2]" 1
882 1 53 LEU H 1 68 ILE HA . . 5.500 6.776 6.337 7.020 1.520 9 20 [********+***-*******] 1
883 1 3 GLN HB3 1 3 GLN HE22 . . 4.950 4.271 3.940 4.402 . 0 0 "[ . 1 . 2]" 1
884 1 30 ASN H 1 30 ASN HD21 . . 4.620 3.947 3.149 4.568 . 0 0 "[ . 1 . 2]" 1
885 1 30 ASN H 1 30 ASN HD22 . . 4.620 4.266 3.819 4.609 . 0 0 "[ . 1 . 2]" 1
886 1 29 HIS HA 1 30 ASN HD22 . . 4.760 4.230 3.937 5.031 0.271 11 0 "[ . 1 . 2]" 1
887 1 85 GLN H 1 85 GLN QE . . 4.670 2.801 2.387 3.237 . 0 0 "[ . 1 . 2]" 1
888 1 85 GLN HA 1 85 GLN QE . . 4.900 3.115 2.126 3.692 . 0 0 "[ . 1 . 2]" 1
889 1 20 ASN QD 1 21 ALA H . . 4.670 4.357 4.268 4.605 . 0 0 "[ . 1 . 2]" 1
890 1 18 VAL H 1 20 ASN QD . . 5.500 5.343 4.836 6.139 0.639 6 1 "[ .+ 1 . 2]" 1
891 1 73 PHE HZ 1 83 LYS HD3 . . 4.190 4.195 3.085 4.945 0.755 15 6 "[ - * 1 *+** 2]" 1
892 1 73 PHE HZ 1 83 LYS HD2 . . 4.190 4.359 3.297 4.944 0.754 8 9 "[ ***. +** *- . *]" 1
893 1 47 GLU HA 1 65 PHE HZ . . 4.340 3.390 2.798 3.810 . 0 0 "[ . 1 . 2]" 1
894 1 73 PHE QE 1 82 THR MG . . 3.760 2.961 2.354 3.534 . 0 0 "[ . 1 . 2]" 1
895 1 21 ALA MB 1 73 PHE QE . . 4.070 2.601 2.262 2.845 . 0 0 "[ . 1 . 2]" 1
896 1 17 VAL QG 1 73 PHE QE . . 4.310 4.832 4.590 4.860 0.550 1 19 "[+-********* ********]" 1
897 1 73 PHE QE 1 86 ILE MD . . 3.930 3.776 3.298 4.094 0.164 7 0 "[ . 1 . 2]" 1
898 1 47 GLU HA 1 65 PHE QE . . 4.450 2.063 1.990 2.629 . 0 0 "[ . 1 . 2]" 1
899 1 53 LEU HB2 1 65 PHE QE . . 3.960 3.333 3.108 3.627 . 0 0 "[ . 1 . 2]" 1
900 1 70 ALA HA 1 73 PHE HD1 . . 4.060 2.533 2.000 2.982 . 0 0 "[ . 1 . 2]" 1
901 1 63 TYR QD 1 65 PHE HZ . . 4.190 2.735 2.267 3.324 . 0 0 "[ . 1 . 2]" 1
902 1 25 MET HA 1 29 HIS HD2 . . 4.010 3.902 3.608 4.017 0.007 11 0 "[ . 1 . 2]" 1
903 1 25 MET QB 1 29 HIS HD2 . . 4.610 2.943 2.639 3.379 . 0 0 "[ . 1 . 2]" 1
904 1 42 GLU HA 1 46 TYR QD . . 5.290 4.327 3.780 5.147 . 0 0 "[ . 1 . 2]" 1
905 1 38 ILE MG 1 46 TYR QE . . 3.790 3.186 2.869 3.563 . 0 0 "[ . 1 . 2]" 1
906 1 53 LEU HB3 1 65 PHE QE . . 3.960 2.403 2.307 2.528 . 0 0 "[ . 1 . 2]" 1
907 1 73 PHE HA 1 73 PHE HD1 . . 4.690 3.715 3.244 3.923 . 0 0 "[ . 1 . 2]" 1
908 1 73 PHE HA 1 73 PHE HD2 . . 4.860 3.263 2.923 3.659 . 0 0 "[ . 1 . 2]" 1
909 1 17 VAL QG 1 73 PHE HD2 . . 3.790 3.468 3.323 3.587 . 0 0 "[ . 1 . 2]" 1
910 1 54 VAL QG 1 73 PHE HD1 . . 4.250 4.018 3.340 4.820 0.570 12 2 "[ . 1 + .- 2]" 1
911 1 59 THR HB 1 63 TYR QE . . 4.480 3.333 1.995 4.736 0.256 14 0 "[ . 1 . 2]" 1
912 1 59 THR MG 1 63 TYR QE . . 3.700 2.500 1.960 3.117 . 0 0 "[ . 1 . 2]" 1
913 1 63 TYR QE 1 67 VAL MG2 . . 5.480 3.284 3.040 3.678 . 0 0 "[ . 1 . 2]" 1
914 1 47 GLU HA 1 65 PHE QD . . 4.810 4.186 3.907 4.611 . 0 0 "[ . 1 . 2]" 1
915 1 63 TYR QB 1 65 PHE QD . . 3.980 3.027 2.895 3.265 . 0 0 "[ . 1 . 2]" 1
916 1 43 VAL HA 1 46 TYR QD . . 3.660 3.027 2.307 3.623 . 0 0 "[ . 1 . 2]" 1
917 1 46 TYR HB2 1 46 TYR QD . . 3.490 2.290 2.277 2.298 . 0 0 "[ . 1 . 2]" 1
918 1 38 ILE HG13 1 46 TYR QD . . 3.820 2.877 2.598 3.064 . 0 0 "[ . 1 . 2]" 1
919 1 72 ASN H 1 73 PHE HD1 . . 4.390 3.698 3.490 3.919 . 0 0 "[ . 1 . 2]" 1
920 1 63 TYR QD 1 65 PHE QD . . 3.800 4.352 4.127 4.668 0.868 10 14 "[ ***.* * +** ***-**]" 1
921 1 43 VAL H 1 46 TYR QD . . 5.100 4.604 4.473 4.841 . 0 0 "[ . 1 . 2]" 1
922 1 43 VAL MG1 1 63 TYR QE . . 5.150 2.879 2.068 3.385 . 0 0 "[ . 1 . 2]" 1
923 1 18 VAL HA 1 73 PHE QE . . 4.900 2.905 2.266 3.332 . 0 0 "[ . 1 . 2]" 1
924 1 73 PHE QE 1 83 LYS QE . . 5.290 5.511 3.944 6.397 1.107 7 7 "[ ** * +-*1* . 2]" 1
925 1 18 VAL H 1 73 PHE HD2 . . 5.020 4.193 3.824 4.384 . 0 0 "[ . 1 . 2]" 1
926 1 59 THR MG 1 63 TYR QD . . 4.520 3.813 3.387 4.599 0.079 14 0 "[ . 1 . 2]" 1
927 1 63 TYR QE 1 65 PHE HZ . . 5.140 3.596 2.623 4.522 . 0 0 "[ . 1 . 2]" 1
928 1 1 MET HA 1 32 LYS QG . . 4.680 3.985 2.499 5.086 0.406 12 0 "[ . 1 . 2]" 1
929 1 1 MET QB 1 2 LYS H . . 4.220 3.205 2.620 3.740 . 0 0 "[ . 1 . 2]" 1
930 1 1 MET QG 1 2 LYS H . . 4.310 3.161 2.041 4.002 . 0 0 "[ . 1 . 2]" 1
931 1 1 MET QG 1 33 VAL HA . . 4.550 4.731 3.309 5.778 1.228 18 7 "[ * *. *1*- * + 2]" 1
932 1 1 MET QG 1 34 ASP QB . . 4.160 3.343 1.978 4.570 0.410 1 0 "[ . 1 . 2]" 1
933 1 1 MET ME 1 34 ASP QB . . 4.720 4.072 2.282 6.041 1.321 18 5 "[*- * 1 * . + 2]" 1
934 1 2 LYS H 1 2 LYS QB . . 3.530 2.452 2.179 2.652 . 0 0 "[ . 1 . 2]" 1
935 1 2 LYS HA 1 2 LYS QE . . 3.230 3.324 2.500 3.751 0.521 10 3 "[ . + -. *]" 1
936 1 2 LYS QB 1 2 LYS QE . . 3.880 2.213 2.063 2.405 . 0 0 "[ . 1 . 2]" 1
937 1 2 LYS QB 1 33 VAL QG . . 3.800 2.447 2.060 2.804 . 0 0 "[ . 1 . 2]" 1
938 1 2 LYS QB 1 90 LEU QD . . 4.180 2.464 1.900 3.500 . 0 0 "[ . 1 . 2]" 1
939 1 2 LYS QE 1 2 LYS HG2 . . 3.340 3.318 3.250 3.406 0.066 16 0 "[ . 1 . 2]" 1
940 1 2 LYS HG2 1 90 LEU QD . . 4.600 4.038 3.118 5.025 0.425 19 0 "[ . 1 . 2]" 1
941 1 2 LYS HG3 1 90 LEU QD . . 3.590 2.721 1.932 3.789 0.199 9 0 "[ . 1 . 2]" 1
942 1 2 LYS QD 1 33 VAL QG . . 5.050 4.777 4.281 5.156 0.106 18 0 "[ . 1 . 2]" 1
943 1 2 LYS QD 1 51 ASP QB . . 4.090 3.033 2.113 3.972 . 0 0 "[ . 1 . 2]" 1
944 1 2 LYS QD 1 90 LEU HA . . 3.900 3.973 3.224 4.467 0.567 15 2 "[ . - 1 + 2]" 1
945 1 2 LYS QD 1 90 LEU QD . . 3.790 3.714 3.200 4.229 0.439 19 0 "[ . 1 . 2]" 1
946 1 2 LYS QE 1 51 ASP HA . . 5.340 5.018 4.359 5.345 0.005 20 0 "[ . 1 . 2]" 1
947 1 2 LYS QE 1 90 LEU HA . . 5.010 2.371 1.911 2.981 . 0 0 "[ . 1 . 2]" 1
948 1 3 GLN HA 1 3 GLN QG . . 3.670 2.299 2.187 2.445 . 0 0 "[ . 1 . 2]" 1
949 1 3 GLN HA 1 34 ASP QB . . 3.570 2.502 1.939 3.358 . 0 0 "[ . 1 . 2]" 1
950 1 3 GLN HB2 1 34 ASP QB . . 4.530 3.890 3.298 4.475 . 0 0 "[ . 1 . 2]" 1
951 1 3 GLN HB3 1 3 GLN QE . . 4.270 3.331 2.672 3.593 . 0 0 "[ . 1 . 2]" 1
952 1 3 GLN QE 1 3 GLN QG . . 3.080 2.088 2.066 2.251 . 0 0 "[ . 1 . 2]" 1
953 1 3 GLN QG 1 4 VAL HA . . 4.520 4.161 3.838 4.479 . 0 0 "[ . 1 . 2]" 1
954 1 3 GLN QG 1 5 LEU QD . . 4.030 2.860 1.929 3.711 . 0 0 "[ . 1 . 2]" 1
955 1 3 GLN QG 1 34 ASP QB . . 4.650 3.205 2.787 3.911 . 0 0 "[ . 1 . 2]" 1
956 1 3 GLN QG 1 50 ALA HA . . 4.310 3.092 2.376 3.851 . 0 0 "[ . 1 . 2]" 1
957 1 3 GLN QG 1 51 ASP H . . 4.120 4.210 3.724 4.736 0.616 3 3 "[ + . 1 - . *]" 1
958 1 3 GLN QE 1 36 LYS QE . . 3.400 2.977 2.132 3.346 . 0 0 "[ . 1 . 2]" 1
959 1 3 GLN QE 1 46 TYR HA . . 4.640 4.421 2.700 4.836 0.196 3 0 "[ . 1 . 2]" 1
960 1 3 GLN QE 1 46 TYR HB3 . . 4.550 3.745 2.930 4.163 . 0 0 "[ . 1 . 2]" 1
961 1 3 GLN QE 1 46 TYR QD . . 3.650 3.210 1.927 3.629 . 0 0 "[ . 1 . 2]" 1
962 1 3 GLN QE 1 49 THR HB . . 4.260 3.315 2.322 4.141 . 0 0 "[ . 1 . 2]" 1
963 1 3 GLN QE 1 49 THR MG . . 4.600 3.624 2.279 4.523 . 0 0 "[ . 1 . 2]" 1
964 1 3 GLN QE 1 50 ALA HA . . 4.130 3.277 2.469 3.995 . 0 0 "[ . 1 . 2]" 1
965 1 3 GLN QE 1 50 ALA MB . . 3.760 2.926 2.069 3.702 . 0 0 "[ . 1 . 2]" 1
966 1 4 VAL H 1 34 ASP QB . . 4.020 3.578 3.036 4.403 0.383 1 0 "[ . 1 . 2]" 1
967 1 4 VAL HA 1 52 LEU QB . . 4.250 3.352 2.935 3.791 . 0 0 "[ . 1 . 2]" 1
968 1 4 VAL QG 1 5 LEU QD . . 4.480 4.022 3.636 4.265 . 0 0 "[ . 1 . 2]" 1
969 1 4 VAL QG 1 34 ASP QB . . 5.340 4.717 4.209 5.285 . 0 0 "[ . 1 . 2]" 1
970 1 4 VAL QG 1 51 ASP QB . . 4.420 3.474 2.416 4.438 0.018 9 0 "[ . 1 . 2]" 1
971 1 4 VAL QG 1 52 LEU QB . . 3.030 1.861 1.694 2.265 . 0 0 "[ . 1 . 2]" 1
972 1 5 LEU H 1 5 LEU QD . . 3.930 2.766 1.908 3.483 . 0 0 "[ . 1 . 2]" 1
973 1 5 LEU HA 1 5 LEU QD . . 3.250 2.308 1.931 3.099 . 0 0 "[ . 1 . 2]" 1
974 1 5 LEU HA 1 36 LYS QG . . 5.100 4.446 3.818 4.876 . 0 0 "[ . 1 . 2]" 1
975 1 5 LEU HA 1 36 LYS QD . . 5.160 4.414 3.641 4.639 . 0 0 "[ . 1 . 2]" 1
976 1 5 LEU HA 1 53 LEU QD . . 4.610 4.024 3.545 4.513 . 0 0 "[ . 1 . 2]" 1
977 1 5 LEU HB2 1 53 LEU QD . . 3.380 2.005 1.865 2.341 . 0 0 "[ . 1 . 2]" 1
978 1 5 LEU QD 1 6 VAL H . . 4.010 3.151 2.595 3.686 . 0 0 "[ . 1 . 2]" 1
979 1 5 LEU QD 1 36 LYS H . . 4.350 4.221 3.900 4.360 0.010 5 0 "[ . 1 . 2]" 1
980 1 5 LEU QD 1 36 LYS HB2 . . 3.560 2.825 2.373 3.366 . 0 0 "[ . 1 . 2]" 1
981 1 5 LEU QD 1 36 LYS HB3 . . 4.100 2.181 1.889 3.029 . 0 0 "[ . 1 . 2]" 1
982 1 5 LEU QD 1 36 LYS QG . . 4.210 3.278 2.163 4.005 . 0 0 "[ . 1 . 2]" 1
983 1 5 LEU QD 1 38 ILE MG . . 3.770 2.013 1.733 2.492 . 0 0 "[ . 1 . 2]" 1
984 1 5 LEU QD 1 38 ILE HG12 . . 4.470 3.681 3.407 4.208 . 0 0 "[ . 1 . 2]" 1
985 1 5 LEU QD 1 38 ILE MD . . 3.050 1.909 1.722 2.312 . 0 0 "[ . 1 . 2]" 1
986 1 5 LEU QD 1 43 VAL QG . . 3.930 2.370 1.796 3.611 . 0 0 "[ . 1 . 2]" 1
987 1 5 LEU QD 1 46 TYR HB2 . . 3.680 2.351 1.938 3.581 . 0 0 "[ . 1 . 2]" 1
988 1 5 LEU QD 1 46 TYR HB3 . . 3.640 1.962 1.734 2.514 . 0 0 "[ . 1 . 2]" 1
989 1 5 LEU QD 1 46 TYR QD . . 3.700 2.771 2.558 3.292 . 0 0 "[ . 1 . 2]" 1
990 1 5 LEU QD 1 50 ALA MB . . 3.560 1.998 1.663 2.446 . 0 0 "[ . 1 . 2]" 1
991 1 5 LEU QD 1 53 LEU QD . . 3.060 2.717 2.284 3.082 0.022 9 0 "[ . 1 . 2]" 1
992 1 6 VAL H 1 6 VAL QG . . 3.300 2.953 2.917 2.988 . 0 0 "[ . 1 . 2]" 1
993 1 6 VAL HA 1 53 LEU QD . . 4.520 3.032 2.300 3.740 . 0 0 "[ . 1 . 2]" 1
994 1 6 VAL QG 1 7 ALA H . . 4.170 3.089 2.825 3.334 . 0 0 "[ . 1 . 2]" 1
995 1 6 VAL QG 1 8 CYS QB . . 4.490 3.567 2.907 4.186 . 0 0 "[ . 1 . 2]" 1
996 1 6 VAL QG 1 15 SER QB . . 3.740 2.507 1.938 3.513 . 0 0 "[ . 1 . 2]" 1
997 1 6 VAL QG 1 18 VAL HB . . 4.260 2.945 2.216 3.464 . 0 0 "[ . 1 . 2]" 1
998 1 6 VAL QG 1 18 VAL QG . . 3.290 2.483 1.973 2.871 . 0 0 "[ . 1 . 2]" 1
999 1 6 VAL QG 1 19 ASN H . . 4.370 3.554 2.926 4.021 . 0 0 "[ . 1 . 2]" 1
1000 1 6 VAL QG 1 19 ASN HA . . 4.510 3.645 3.235 4.054 . 0 0 "[ . 1 . 2]" 1
1001 1 6 VAL QG 1 38 ILE H . . 5.350 4.254 3.899 4.563 . 0 0 "[ . 1 . 2]" 1
1002 1 6 VAL QG 1 54 VAL H . . 5.440 3.554 3.000 4.088 . 0 0 "[ . 1 . 2]" 1
1003 1 7 ALA H 1 53 LEU QD . . 4.560 2.720 2.065 3.370 . 0 0 "[ . 1 . 2]" 1
1004 1 7 ALA MB 1 40 ILE QG . . 4.640 3.837 2.641 4.400 . 0 0 "[ . 1 . 2]" 1
1005 1 7 ALA MB 1 53 LEU QD . . 3.240 2.684 2.315 2.950 . 0 0 "[ . 1 . 2]" 1
1006 1 8 CYS QB 1 15 SER H . . 4.790 4.459 3.330 5.428 0.638 17 2 "[ . 1 -. + 2]" 1
1007 1 8 CYS QB 1 15 SER QB . . 3.720 2.614 1.929 3.384 . 0 0 "[ . 1 . 2]" 1
1008 1 8 CYS QB 1 56 THR MG . . 3.720 2.938 2.340 3.593 . 0 0 "[ . 1 . 2]" 1
1009 1 10 ALA MB 1 11 GLY QA . . 4.290 3.763 3.372 4.234 . 0 0 "[ . 1 . 2]" 1
1010 1 12 ILE QG 1 12 ILE MG . . 3.270 2.189 1.979 2.337 . 0 0 "[ . 1 . 2]" 1
1011 1 15 SER QB 1 18 VAL QG . . 4.500 3.294 2.425 4.002 . 0 0 "[ . 1 . 2]" 1
1012 1 16 THR HA 1 37 GLN QE . . 4.350 3.249 2.181 4.021 . 0 0 "[ . 1 . 2]" 1
1013 1 17 VAL H 1 18 VAL QG . . 4.610 4.129 3.977 4.315 . 0 0 "[ . 1 . 2]" 1
1014 1 17 VAL HB 1 18 VAL QG . . 4.440 3.162 3.071 3.225 . 0 0 "[ . 1 . 2]" 1
1015 1 17 VAL QG 1 18 VAL QG . . 3.360 3.270 3.125 3.321 . 0 0 "[ . 1 . 2]" 1
1016 1 18 VAL H 1 18 VAL QG . . 2.910 2.092 2.015 2.193 . 0 0 "[ . 1 . 2]" 1
1017 1 18 VAL HA 1 18 VAL QG . . 3.000 2.068 2.038 2.116 . 0 0 "[ . 1 . 2]" 1
1018 1 18 VAL QG 1 19 ASN H . . 3.620 2.932 2.817 3.084 . 0 0 "[ . 1 . 2]" 1
1019 1 18 VAL QG 1 19 ASN HA . . 4.320 3.441 3.283 3.602 . 0 0 "[ . 1 . 2]" 1
1020 1 18 VAL QG 1 21 ALA MB . . 4.460 3.549 3.380 3.841 . 0 0 "[ . 1 . 2]" 1
1021 1 18 VAL QG 1 22 ILE MD . . 3.010 3.197 3.022 3.349 0.339 11 0 "[ . 1 . 2]" 1
1022 1 18 VAL QG 1 70 ALA MB . . 3.510 2.742 2.319 3.167 . 0 0 "[ . 1 . 2]" 1
1023 1 18 VAL QG 1 73 PHE H . . 5.440 4.394 4.132 4.870 . 0 0 "[ . 1 . 2]" 1
1024 1 18 VAL QG 1 73 PHE QB . . 4.360 2.016 1.788 2.481 . 0 0 "[ . 1 . 2]" 1
1025 1 18 VAL QG 1 73 PHE HD1 . . 4.650 3.636 3.162 4.146 . 0 0 "[ . 1 . 2]" 1
1026 1 18 VAL QG 1 73 PHE HZ . . 4.740 3.526 2.997 3.967 . 0 0 "[ . 1 . 2]" 1
1027 1 18 VAL QG 1 73 PHE HD2 . . 4.890 2.375 1.927 2.715 . 0 0 "[ . 1 . 2]" 1
1028 1 19 ASN HA 1 19 ASN QD . . 4.600 3.453 2.189 4.210 . 0 0 "[ . 1 . 2]" 1
1029 1 19 ASN QB 1 35 ILE MG . . 5.180 2.842 2.082 3.294 . 0 0 "[ . 1 . 2]" 1
1030 1 19 ASN QB 1 37 GLN QE . . 3.900 2.294 1.928 2.995 . 0 0 "[ . 1 . 2]" 1
1031 1 19 ASN QD 1 20 ASN H . . 4.280 3.669 3.040 4.052 . 0 0 "[ . 1 . 2]" 1
1032 1 19 ASN QD 1 20 ASN HA . . 4.360 3.856 3.239 4.164 . 0 0 "[ . 1 . 2]" 1
1033 1 19 ASN QD 1 20 ASN QD . . 4.670 3.209 2.311 4.397 . 0 0 "[ . 1 . 2]" 1
1034 1 19 ASN QD 1 35 ILE MD . . 5.250 3.514 1.966 4.551 . 0 0 "[ . 1 . 2]" 1
1035 1 19 ASN QD 1 37 GLN QE . . 3.540 3.264 2.172 3.549 0.009 6 0 "[ . 1 . 2]" 1
1036 1 20 ASN H 1 37 GLN QE . . 5.340 4.718 4.309 5.348 0.008 19 0 "[ . 1 . 2]" 1
1037 1 20 ASN HA 1 23 GLU QB . . 3.330 3.722 3.604 3.758 0.428 16 0 "[ . 1 . 2]" 1
1038 1 22 ILE HA 1 25 MET QG . . 4.010 2.845 2.114 3.519 . 0 0 "[ . 1 . 2]" 1
1039 1 22 ILE MG 1 25 MET QG . . 4.660 4.093 2.820 4.980 0.320 12 0 "[ . 1 . 2]" 1
1040 1 22 ILE MD 1 25 MET QG . . 5.180 3.482 2.739 4.042 . 0 0 "[ . 1 . 2]" 1
1041 1 23 GLU H 1 23 GLU QB . . 2.820 2.386 2.294 2.536 . 0 0 "[ . 1 . 2]" 1
1042 1 23 GLU H 1 23 GLU QG . . 3.850 2.348 2.055 2.506 . 0 0 "[ . 1 . 2]" 1
1043 1 23 GLU HA 1 23 GLU QG . . 3.650 3.349 3.317 3.411 . 0 0 "[ . 1 . 2]" 1
1044 1 23 GLU QB 1 24 GLU H . . 4.200 3.492 3.351 3.640 . 0 0 "[ . 1 . 2]" 1
1045 1 23 GLU QB 1 35 ILE MD . . 3.830 2.113 1.893 2.353 . 0 0 "[ . 1 . 2]" 1
1046 1 23 GLU QG 1 24 GLU H . . 5.150 2.174 1.912 2.475 . 0 0 "[ . 1 . 2]" 1
1047 1 24 GLU H 1 24 GLU QB . . 2.640 2.298 2.130 2.590 . 0 0 "[ . 1 . 2]" 1
1048 1 25 MET HA 1 28 GLU QB . . 3.860 2.917 2.646 3.028 . 0 0 "[ . 1 . 2]" 1
1049 1 25 MET QB 1 87 LEU QD . . 4.100 5.099 4.509 5.750 1.650 11 19 "[-****** **+*********]" 1
1050 1 25 MET QG 1 26 ALA H . . 3.900 3.490 1.925 4.200 0.300 16 0 "[ . 1 . 2]" 1
1051 1 25 MET QG 1 26 ALA HA . . 4.990 5.145 3.233 5.788 0.798 8 15 "[** ****+ 1 ******- *]" 1
1052 1 25 MET QG 1 87 LEU QD . . 4.650 6.047 4.831 6.873 2.223 14 18 "[**-***** ****+**** *]" 1
1053 1 26 ALA HA 1 29 HIS QB . . 5.170 2.809 2.550 3.086 . 0 0 "[ . 1 . 2]" 1
1054 1 26 ALA HA 1 33 VAL QG . . 4.150 3.561 3.279 3.736 . 0 0 "[ . 1 . 2]" 1
1055 1 26 ALA MB 1 33 VAL QG . . 2.860 2.209 1.877 2.495 . 0 0 "[ . 1 . 2]" 1
1056 1 27 LYS H 1 33 VAL QG . . 5.440 5.270 4.808 5.460 0.020 9 0 "[ . 1 . 2]" 1
1057 1 28 GLU H 1 28 GLU QB . . 2.640 2.203 2.118 2.282 . 0 0 "[ . 1 . 2]" 1
1058 1 28 GLU H 1 28 GLU QG . . 4.510 3.968 3.783 4.066 . 0 0 "[ . 1 . 2]" 1
1059 1 28 GLU HA 1 28 GLU QG . . 3.500 2.519 2.156 2.899 . 0 0 "[ . 1 . 2]" 1
1060 1 28 GLU QB 1 29 HIS H . . 3.350 2.662 2.584 2.708 . 0 0 "[ . 1 . 2]" 1
1061 1 28 GLU QB 1 29 HIS HD2 . . 3.930 3.549 2.899 3.913 . 0 0 "[ . 1 . 2]" 1
1062 1 28 GLU QB 1 30 ASN H . . 4.910 4.589 4.507 4.647 . 0 0 "[ . 1 . 2]" 1
1063 1 28 GLU QG 1 29 HIS H . . 4.620 4.079 3.827 4.463 . 0 0 "[ . 1 . 2]" 1
1064 1 29 HIS H 1 29 HIS QB . . 2.990 2.342 2.240 2.446 . 0 0 "[ . 1 . 2]" 1
1065 1 29 HIS QB 1 30 ASN H . . 4.330 2.861 2.803 2.924 . 0 0 "[ . 1 . 2]" 1
1066 1 29 HIS QB 1 31 ILE H . . 4.430 3.085 2.908 3.296 . 0 0 "[ . 1 . 2]" 1
1067 1 29 HIS QB 1 87 LEU QD . . 4.430 3.384 3.053 3.831 . 0 0 "[ . 1 . 2]" 1
1068 1 29 HIS HD2 1 87 LEU QD . . 4.000 4.106 3.312 4.447 0.447 11 0 "[ . 1 . 2]" 1
1069 1 29 HIS HE1 1 87 LEU QD . . 3.670 3.127 2.564 3.548 . 0 0 "[ . 1 . 2]" 1
1070 1 30 ASN H 1 30 ASN QB . . 3.570 3.441 3.427 3.462 . 0 0 "[ . 1 . 2]" 1
1071 1 30 ASN QB 1 31 ILE H . . 4.430 3.895 3.880 3.912 . 0 0 "[ . 1 . 2]" 1
1072 1 31 ILE HB 1 87 LEU QD . . 5.440 4.390 4.162 4.727 . 0 0 "[ . 1 . 2]" 1
1073 1 31 ILE MG 1 90 LEU QB . . 4.430 3.541 2.451 4.611 0.181 9 0 "[ . 1 . 2]" 1
1074 1 31 ILE QG 1 87 LEU QD . . 4.860 3.584 3.435 4.033 . 0 0 "[ . 1 . 2]" 1
1075 1 31 ILE MD 1 87 LEU QD . . 3.000 1.952 1.801 2.340 . 0 0 "[ . 1 . 2]" 1
1076 1 31 ILE MD 1 90 LEU QB . . 4.300 3.401 2.513 4.166 . 0 0 "[ . 1 . 2]" 1
1077 1 31 ILE MD 1 91 GLN QG . . 3.720 2.650 2.067 3.532 . 0 0 "[ . 1 . 2]" 1
1078 1 32 LYS H 1 32 LYS QE . . 4.480 3.949 2.579 4.484 0.004 19 0 "[ . 1 . 2]" 1
1079 1 32 LYS HA 1 32 LYS QD . . 4.230 3.431 2.052 4.126 . 0 0 "[ . 1 . 2]" 1
1080 1 33 VAL H 1 33 VAL QG . . 2.910 2.152 1.919 2.524 . 0 0 "[ . 1 . 2]" 1
1081 1 33 VAL HA 1 34 ASP QB . . 4.670 4.066 3.918 4.276 . 0 0 "[ . 1 . 2]" 1
1082 1 33 VAL HB 1 90 LEU QD . . 4.600 3.413 1.963 4.477 . 0 0 "[ . 1 . 2]" 1
1083 1 33 VAL QG 1 34 ASP H . . 3.460 2.540 1.949 3.478 0.018 19 0 "[ . 1 . 2]" 1
1084 1 33 VAL QG 1 34 ASP HA . . 4.180 3.629 3.318 4.178 . 0 0 "[ . 1 . 2]" 1
1085 1 33 VAL QG 1 34 ASP QB . . 5.100 4.061 3.804 4.674 . 0 0 "[ . 1 . 2]" 1
1086 1 33 VAL QG 1 35 ILE H . . 4.530 3.623 2.790 4.711 0.181 5 0 "[ . 1 . 2]" 1
1087 1 33 VAL QG 1 90 LEU HA . . 4.420 4.782 3.842 5.444 1.024 3 9 "[* +*-*** 1 ** 2]" 1
1088 1 34 ASP H 1 34 ASP QB . . 3.030 2.415 2.228 2.568 . 0 0 "[ . 1 . 2]" 1
1089 1 34 ASP H 1 35 ILE QG . . 5.340 4.658 4.401 4.955 . 0 0 "[ . 1 . 2]" 1
1090 1 34 ASP HA 1 35 ILE QG . . 4.700 3.760 3.082 4.233 . 0 0 "[ . 1 . 2]" 1
1091 1 34 ASP QB 1 35 ILE H . . 4.160 3.609 1.984 4.013 . 0 0 "[ . 1 . 2]" 1
1092 1 35 ILE H 1 35 ILE QG . . 3.420 2.220 1.934 2.872 . 0 0 "[ . 1 . 2]" 1
1093 1 35 ILE QG 1 35 ILE MG . . 3.190 2.264 1.995 2.340 . 0 0 "[ . 1 . 2]" 1
1094 1 35 ILE MG 1 37 GLN QE . . 4.350 3.880 2.973 4.355 0.005 19 0 "[ . 1 . 2]" 1
1095 1 35 ILE QG 1 36 LYS H . . 4.450 4.080 3.990 4.350 . 0 0 "[ . 1 . 2]" 1
1096 1 36 LYS H 1 36 LYS QG . . 3.720 4.024 3.602 4.229 0.509 17 1 "[ . 1 . + 2]" 1
1097 1 36 LYS HA 1 36 LYS QD . . 4.110 3.631 2.684 4.073 . 0 0 "[ . 1 . 2]" 1
1098 1 37 GLN HA 1 37 GLN QG . . 3.730 2.872 2.311 3.349 . 0 0 "[ . 1 . 2]" 1
1099 1 37 GLN QE 1 37 GLN QG . . 3.050 2.187 2.068 2.476 . 0 0 "[ . 1 . 2]" 1
1100 1 38 ILE HB 1 42 GLU QB . . 4.450 2.005 1.901 2.312 . 0 0 "[ . 1 . 2]" 1
1101 1 38 ILE MG 1 42 GLU QB . . 4.990 3.228 2.889 3.647 . 0 0 "[ . 1 . 2]" 1
1102 1 38 ILE HG12 1 39 LYS QB . . 4.150 4.157 3.946 4.246 0.096 1 0 "[ . 1 . 2]" 1
1103 1 38 ILE HG13 1 42 GLU QB . . 5.200 2.645 2.070 3.497 . 0 0 "[ . 1 . 2]" 1
1104 1 38 ILE MD 1 43 VAL QG . . 3.240 2.683 1.777 3.494 0.254 1 0 "[ . 1 . 2]" 1
1105 1 39 LYS H 1 39 LYS QB . . 2.940 2.178 2.085 2.343 . 0 0 "[ . 1 . 2]" 1
1106 1 39 LYS H 1 39 LYS QG . . 4.010 3.311 2.497 3.964 . 0 0 "[ . 1 . 2]" 1
1107 1 39 LYS H 1 42 GLU QB . . 3.830 2.118 1.926 2.487 . 0 0 "[ . 1 . 2]" 1
1108 1 39 LYS HA 1 39 LYS QG . . 3.570 2.269 2.070 2.579 . 0 0 "[ . 1 . 2]" 1
1109 1 39 LYS QB 1 41 THR H . . 3.680 2.385 2.224 3.009 . 0 0 "[ . 1 . 2]" 1
1110 1 39 LYS QB 1 41 THR MG . . 4.190 2.989 1.979 3.949 . 0 0 "[ . 1 . 2]" 1
1111 1 39 LYS QB 1 42 GLU QB . . 4.120 2.637 2.088 3.213 . 0 0 "[ . 1 . 2]" 1
1112 1 39 LYS QB 1 42 GLU QG . . 4.230 3.382 2.043 4.683 0.453 8 0 "[ . 1 . 2]" 1
1113 1 39 LYS QG 1 40 ILE H . . 5.340 3.302 2.359 4.169 . 0 0 "[ . 1 . 2]" 1
1114 1 40 ILE HA 1 40 ILE QG . . 3.630 2.758 2.209 2.974 . 0 0 "[ . 1 . 2]" 1
1115 1 40 ILE HA 1 43 VAL QG . . 3.670 2.701 1.966 3.290 . 0 0 "[ . 1 . 2]" 1
1116 1 40 ILE QG 1 40 ILE MG . . 2.830 2.157 2.050 2.334 . 0 0 "[ . 1 . 2]" 1
1117 1 40 ILE QG 1 41 THR H . . 5.060 3.979 3.559 4.689 . 0 0 "[ . 1 . 2]" 1
1118 1 40 ILE QG 1 43 VAL QG . . 4.540 3.744 3.033 4.317 . 0 0 "[ . 1 . 2]" 1
1119 1 40 ILE QG 1 55 THR MG . . 4.680 5.645 4.179 6.994 2.314 13 16 "[******* *-* +*.** **]" 1
1120 1 41 THR H 1 42 GLU QB . . 4.590 4.139 3.893 4.362 . 0 0 "[ . 1 . 2]" 1
1121 1 41 THR HA 1 43 VAL QG . . 4.960 3.899 3.218 4.977 0.017 3 0 "[ . 1 . 2]" 1
1122 1 42 GLU H 1 42 GLU QB . . 2.830 2.354 2.077 2.525 . 0 0 "[ . 1 . 2]" 1
1123 1 42 GLU H 1 42 GLU QG . . 4.700 3.511 2.363 4.203 . 0 0 "[ . 1 . 2]" 1
1124 1 42 GLU H 1 43 VAL QG . . 4.430 3.636 3.033 4.146 . 0 0 "[ . 1 . 2]" 1
1125 1 42 GLU HA 1 43 VAL QG . . 5.340 4.650 4.432 4.796 . 0 0 "[ . 1 . 2]" 1
1126 1 43 VAL H 1 43 VAL QG . . 2.970 2.195 2.005 2.447 . 0 0 "[ . 1 . 2]" 1
1127 1 43 VAL H 1 44 GLY QA . . 4.660 4.310 3.884 4.464 . 0 0 "[ . 1 . 2]" 1
1128 1 43 VAL QG 1 46 TYR H . . 4.250 3.781 3.271 4.060 . 0 0 "[ . 1 . 2]" 1
1129 1 43 VAL QG 1 46 TYR QD . . 4.140 4.181 3.382 4.676 0.536 6 1 "[ .+ 1 . 2]" 1
1130 1 43 VAL QG 1 47 GLU H . . 4.180 4.367 3.923 4.469 0.289 18 0 "[ . 1 . 2]" 1
1131 1 43 VAL QG 1 47 GLU HA . . 3.890 3.423 3.087 3.553 . 0 0 "[ . 1 . 2]" 1
1132 1 43 VAL QG 1 47 GLU QG . . 3.670 2.623 2.268 3.364 . 0 0 "[ . 1 . 2]" 1
1133 1 43 VAL QG 1 53 LEU QD . . 3.100 1.874 1.637 2.805 . 0 0 "[ . 1 . 2]" 1
1134 1 43 VAL QG 1 63 TYR QE . . 4.500 2.616 2.064 3.183 . 0 0 "[ . 1 . 2]" 1
1135 1 43 VAL QG 1 65 PHE HZ . . 3.830 2.926 2.444 3.618 . 0 0 "[ . 1 . 2]" 1
1136 1 44 GLY H 1 45 PRO QG . . 4.620 4.207 3.852 4.276 . 0 0 "[ . 1 . 2]" 1
1137 1 44 GLY H 1 45 PRO QD . . 3.370 2.301 1.932 2.372 . 0 0 "[ . 1 . 2]" 1
1138 1 44 GLY QA 1 45 PRO QD . . 3.100 2.252 2.242 2.261 . 0 0 "[ . 1 . 2]" 1
1139 1 44 GLY QA 1 46 TYR H . . 4.570 3.777 3.717 3.825 . 0 0 "[ . 1 . 2]" 1
1140 1 45 PRO QB 1 46 TYR QD . . 5.280 4.293 4.069 4.447 . 0 0 "[ . 1 . 2]" 1
1141 1 45 PRO QD 1 46 TYR H . . 3.630 2.645 2.627 2.673 . 0 0 "[ . 1 . 2]" 1
1142 1 46 TYR H 1 47 GLU QG . . 5.060 4.128 3.736 4.348 . 0 0 "[ . 1 . 2]" 1
1143 1 47 GLU H 1 47 GLU QG . . 3.110 3.187 2.839 3.323 0.213 12 0 "[ . 1 . 2]" 1
1144 1 47 GLU HA 1 47 GLU QG . . 3.350 2.238 2.120 2.773 . 0 0 "[ . 1 . 2]" 1
1145 1 47 GLU QG 1 63 TYR QE . . 4.290 3.830 2.624 4.613 0.323 2 0 "[ . 1 . 2]" 1
1146 1 47 GLU QG 1 63 TYR QD . . 4.160 3.258 1.986 4.154 . 0 0 "[ . 1 . 2]" 1
1147 1 48 ASP H 1 48 ASP QB . . 3.000 2.397 2.218 2.762 . 0 0 "[ . 1 . 2]" 1
1148 1 48 ASP QB 1 49 THR H . . 3.780 2.362 2.016 3.201 . 0 0 "[ . 1 . 2]" 1
1149 1 48 ASP QB 1 49 THR MG . . 4.260 3.309 2.950 4.034 . 0 0 "[ . 1 . 2]" 1
1150 1 48 ASP QB 1 50 ALA H . . 5.340 4.760 4.419 5.342 0.002 17 0 "[ . 1 . 2]" 1
1151 1 51 ASP H 1 51 ASP QB . . 2.990 2.406 2.188 3.046 0.056 9 0 "[ . 1 . 2]" 1
1152 1 51 ASP QB 1 52 LEU H . . 3.400 2.435 2.024 3.299 . 0 0 "[ . 1 . 2]" 1
1153 1 52 LEU H 1 52 LEU QB . . 3.520 2.405 2.241 2.745 . 0 0 "[ . 1 . 2]" 1
1154 1 52 LEU HA 1 67 VAL QG . . 5.330 5.196 4.659 5.376 0.046 20 0 "[ . 1 . 2]" 1
1155 1 52 LEU QB 1 53 LEU H . . 3.680 2.975 2.239 3.842 0.162 9 0 "[ . 1 . 2]" 1
1156 1 52 LEU QB 1 90 LEU QD . . 4.920 3.005 2.339 3.741 . 0 0 "[ . 1 . 2]" 1
1157 1 52 LEU HG 1 90 LEU QD . . 4.010 2.911 1.916 4.010 0.000 17 0 "[ . 1 . 2]" 1
1158 1 52 LEU QD 1 66 PRO QG . . 3.650 2.202 1.851 2.411 . 0 0 "[ . 1 . 2]" 1
1159 1 52 LEU QD 1 89 GLU QG . . 4.130 3.057 1.900 4.455 0.325 6 0 "[ . 1 . 2]" 1
1160 1 52 LEU QD 1 90 LEU QD . . 3.560 2.818 2.158 3.539 . 0 0 "[ . 1 . 2]" 1
1161 1 53 LEU H 1 53 LEU QB . . 3.150 2.598 2.332 2.813 . 0 0 "[ . 1 . 2]" 1
1162 1 53 LEU H 1 53 LEU QD . . 4.930 3.981 3.801 4.072 . 0 0 "[ . 1 . 2]" 1
1163 1 53 LEU HA 1 53 LEU QD . . 3.410 2.151 1.958 2.401 . 0 0 "[ . 1 . 2]" 1
1164 1 53 LEU HA 1 67 VAL QG . . 5.440 4.720 4.207 4.971 . 0 0 "[ . 1 . 2]" 1
1165 1 53 LEU QB 1 53 LEU QD . . 2.780 1.928 1.884 1.949 . 0 0 "[ . 1 . 2]" 1
1166 1 53 LEU QB 1 65 PHE QE . . 3.320 2.351 2.255 2.482 . 0 0 "[ . 1 . 2]" 1
1167 1 53 LEU QB 1 67 VAL HA . . 3.960 3.381 3.161 3.731 . 0 0 "[ . 1 . 2]" 1
1168 1 53 LEU QB 1 67 VAL QG . . 4.120 2.819 2.277 3.179 . 0 0 "[ . 1 . 2]" 1
1169 1 53 LEU QB 1 68 ILE H . . 4.020 4.438 4.220 4.711 0.691 5 5 "[ ** +-* 1 . 2]" 1
1170 1 53 LEU HG 1 67 VAL QG . . 3.260 2.938 2.620 3.244 . 0 0 "[ . 1 . 2]" 1
1171 1 53 LEU QD 1 54 VAL H . . 2.970 2.184 1.894 2.655 . 0 0 "[ . 1 . 2]" 1
1172 1 53 LEU QD 1 55 THR H . . 5.080 4.184 3.823 4.549 . 0 0 "[ . 1 . 2]" 1
1173 1 53 LEU QD 1 55 THR HA . . 5.150 4.356 3.993 4.709 . 0 0 "[ . 1 . 2]" 1
1174 1 53 LEU QD 1 55 THR HB . . 3.490 3.119 2.747 3.383 . 0 0 "[ . 1 . 2]" 1
1175 1 53 LEU QD 1 55 THR MG . . 3.810 2.914 2.340 3.567 . 0 0 "[ . 1 . 2]" 1
1176 1 53 LEU QD 1 63 TYR QE . . 4.340 2.846 2.411 3.251 . 0 0 "[ . 1 . 2]" 1
1177 1 53 LEU QD 1 63 TYR QD . . 4.920 3.236 2.614 3.495 . 0 0 "[ . 1 . 2]" 1
1178 1 53 LEU QD 1 65 PHE QE . . 3.720 1.998 1.887 2.359 . 0 0 "[ . 1 . 2]" 1
1179 1 54 VAL QG 1 68 ILE QG . . 4.000 3.464 2.687 3.999 . 0 0 "[ . 1 . 2]" 1
1180 1 55 THR H 1 67 VAL QG . . 4.330 3.071 2.647 3.449 . 0 0 "[ . 1 . 2]" 1
1181 1 56 THR HA 1 71 ARG QG . . 4.550 3.600 2.987 4.082 . 0 0 "[ . 1 . 2]" 1
1182 1 56 THR HB 1 71 ARG QD . . 4.460 3.980 2.099 4.469 0.009 11 0 "[ . 1 . 2]" 1
1183 1 58 MET ME 1 58 MET QG . . 3.340 2.113 1.982 2.380 . 0 0 "[ . 1 . 2]" 1
1184 1 59 THR HB 1 67 VAL QG . . 5.250 5.086 3.188 6.681 1.431 14 9 "[ ***.** 1* -+* 2]" 1
1185 1 59 THR MG 1 60 LYS QB . . 4.560 4.353 3.317 5.546 0.986 1 4 "[+ . - *1 .* 2]" 1
1186 1 60 LYS HA 1 60 LYS QG . . 3.360 2.475 2.098 2.808 . 0 0 "[ . 1 . 2]" 1
1187 1 60 LYS QB 1 60 LYS QG . . 2.320 2.041 2.009 2.075 . 0 0 "[ . 1 . 2]" 1
1188 1 61 LYS H 1 61 LYS QG . . 4.580 3.220 2.142 4.317 . 0 0 "[ . 1 . 2]" 1
1189 1 61 LYS HA 1 61 LYS QG . . 3.740 2.400 2.140 3.342 . 0 0 "[ . 1 . 2]" 1
1190 1 61 LYS QB 1 62 GLU H . . 4.260 3.137 1.976 4.049 . 0 0 "[ . 1 . 2]" 1
1191 1 61 LYS QG 1 62 GLU H . . 4.730 3.567 1.949 4.529 . 0 0 "[ . 1 . 2]" 1
1192 1 62 GLU H 1 62 GLU QB . . 3.420 2.458 2.189 2.981 . 0 0 "[ . 1 . 2]" 1
1193 1 62 GLU H 1 62 GLU QG . . 4.230 3.400 1.925 4.216 . 0 0 "[ . 1 . 2]" 1
1194 1 62 GLU HA 1 62 GLU QG . . 3.660 2.442 2.198 3.318 . 0 0 "[ . 1 . 2]" 1
1195 1 62 GLU QB 1 63 TYR H . . 4.020 3.811 3.430 3.962 . 0 0 "[ . 1 . 2]" 1
1196 1 63 TYR H 1 67 VAL QG . . 4.090 4.447 4.088 4.734 0.644 1 8 "[+ .* * - * ** * 2]" 1
1197 1 63 TYR HA 1 64 LYS QG . . 4.930 3.683 3.395 3.953 . 0 0 "[ . 1 . 2]" 1
1198 1 63 TYR QB 1 67 VAL QG . . 4.630 2.310 2.197 2.504 . 0 0 "[ . 1 . 2]" 1
1199 1 63 TYR QE 1 67 VAL QG . . 4.270 3.072 2.849 3.502 . 0 0 "[ . 1 . 2]" 1
1200 1 63 TYR QD 1 67 VAL QG . . 3.400 2.421 2.027 2.949 . 0 0 "[ . 1 . 2]" 1
1201 1 64 LYS H 1 64 LYS QB . . 3.620 2.477 2.340 2.930 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LYS H 1 64 LYS QG . . 4.550 2.695 2.258 3.166 . 0 0 "[ . 1 . 2]" 1
1203 1 64 LYS HA 1 64 LYS QG . . 3.490 2.657 2.272 3.343 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LYS QB 1 64 LYS QE . . 3.320 2.521 1.972 3.300 . 0 0 "[ . 1 . 2]" 1
1205 1 65 PHE HA 1 66 PRO QG . . 4.430 4.048 4.043 4.069 . 0 0 "[ . 1 . 2]" 1
1206 1 65 PHE QE 1 67 VAL QG . . 4.370 1.953 1.892 2.127 . 0 0 "[ . 1 . 2]" 1
1207 1 65 PHE HZ 1 67 VAL QG . . 4.230 3.928 3.863 4.119 . 0 0 "[ . 1 . 2]" 1
1208 1 65 PHE QD 1 67 VAL QG . . 4.170 1.991 1.899 2.133 . 0 0 "[ . 1 . 2]" 1
1209 1 66 PRO HA 1 67 VAL QG . . 4.210 3.987 3.908 4.071 . 0 0 "[ . 1 . 2]" 1
1210 1 67 VAL H 1 67 VAL QG . . 3.170 2.148 2.050 2.256 . 0 0 "[ . 1 . 2]" 1
1211 1 67 VAL H 1 68 ILE QG . . 4.920 4.932 4.661 5.208 0.288 2 0 "[ . 1 . 2]" 1
1212 1 67 VAL QG 1 68 ILE H . . 3.030 2.109 1.954 2.387 . 0 0 "[ . 1 . 2]" 1
1213 1 67 VAL QG 1 69 ASN HA . . 5.440 3.850 3.568 4.206 . 0 0 "[ . 1 . 2]" 1
1214 1 68 ILE H 1 68 ILE QG . . 4.260 2.837 2.522 3.304 . 0 0 "[ . 1 . 2]" 1
1215 1 68 ILE HA 1 68 ILE QG . . 3.660 2.735 2.301 3.010 . 0 0 "[ . 1 . 2]" 1
1216 1 68 ILE HA 1 69 ASN QB . . 4.770 4.318 4.052 4.629 . 0 0 "[ . 1 . 2]" 1
1217 1 68 ILE QG 1 68 ILE MG . . 2.970 2.173 1.930 2.287 . 0 0 "[ . 1 . 2]" 1
1218 1 68 ILE QG 1 69 ASN H . . 5.170 4.480 4.051 4.820 . 0 0 "[ . 1 . 2]" 1
1219 1 68 ILE MD 1 85 GLN QG . . 5.340 4.894 3.668 5.882 0.542 14 2 "[ . - 1 +. 2]" 1
1220 1 69 ASN H 1 69 ASN QB . . 3.160 2.426 2.125 2.805 . 0 0 "[ . 1 . 2]" 1
1221 1 69 ASN QB 1 70 ALA H . . 4.190 3.146 2.914 3.640 . 0 0 "[ . 1 . 2]" 1
1222 1 69 ASN QB 1 70 ALA HA . . 4.750 4.455 4.186 4.702 . 0 0 "[ . 1 . 2]" 1
1223 1 71 ARG H 1 71 ARG QB . . 3.580 2.391 2.139 2.612 . 0 0 "[ . 1 . 2]" 1
1224 1 71 ARG HA 1 74 LEU QB . . 3.700 3.200 2.772 3.722 0.022 1 0 "[ . 1 . 2]" 1
1225 1 71 ARG QB 1 71 ARG QD . . 3.320 2.411 2.007 2.818 . 0 0 "[ . 1 . 2]" 1
1226 1 72 ASN QB 1 73 PHE H . . 4.300 2.996 2.681 3.689 . 0 0 "[ . 1 . 2]" 1
1227 1 72 ASN QB 1 79 ILE H . . 4.560 4.754 4.141 5.378 0.818 18 3 "[ . * - . + 2]" 1
1228 1 72 ASN QD 1 78 GLY QA . . 4.120 2.736 1.912 3.817 . 0 0 "[ . 1 . 2]" 1
1229 1 73 PHE H 1 74 LEU QB . . 5.230 4.351 3.988 4.612 . 0 0 "[ . 1 . 2]" 1
1230 1 73 PHE H 1 79 ILE QG . . 5.340 4.933 4.271 5.266 . 0 0 "[ . 1 . 2]" 1
1231 1 73 PHE HA 1 79 ILE QG . . 3.840 3.451 3.126 3.754 . 0 0 "[ . 1 . 2]" 1
1232 1 73 PHE QE 1 83 LYS QD . . 5.340 4.489 4.059 4.875 . 0 0 "[ . 1 . 2]" 1
1233 1 73 PHE HZ 1 83 LYS QD . . 3.670 3.633 3.037 4.217 0.547 7 1 "[ . + 1 . 2]" 1
1234 1 74 LEU H 1 74 LEU QB . . 2.910 2.271 2.027 2.623 . 0 0 "[ . 1 . 2]" 1
1235 1 74 LEU QB 1 75 THR H . . 3.840 2.804 2.299 3.795 . 0 0 "[ . 1 . 2]" 1
1236 1 74 LEU QB 1 75 THR MG . . 3.820 3.050 2.464 3.624 . 0 0 "[ . 1 . 2]" 1
1237 1 75 THR MG 1 79 ILE QG . . 5.340 6.875 4.933 8.284 2.944 17 14 "[ * ******** *-*+ *2]" 1
1238 1 76 GLY H 1 79 ILE QG . . 4.670 5.854 4.154 7.404 2.734 9 11 "[ * * **+- * *.** *2]" 1
1239 1 76 GLY QA 1 79 ILE H . . 4.720 6.154 4.514 6.912 2.192 15 19 "[ *************+**-**]" 1
1240 1 76 GLY QA 1 79 ILE MD . . 4.100 5.470 2.580 7.603 3.503 9 12 "[ * * **+- * **** *2]" 1
1241 1 77 ILE H 1 77 ILE QG . . 3.470 2.626 2.008 2.973 . 0 0 "[ . 1 . 2]" 1
1242 1 77 ILE H 1 79 ILE QG . . 3.690 4.515 3.290 5.212 1.522 9 13 "[ * *-**+* * **** *2]" 1
1243 1 78 GLY QA 1 79 ILE HA . . 5.340 4.144 3.967 4.233 . 0 0 "[ . 1 . 2]" 1
1244 1 78 GLY QA 1 80 GLU H . . 5.320 3.511 3.197 4.284 . 0 0 "[ . 1 . 2]" 1
1245 1 79 ILE H 1 79 ILE QG . . 3.300 2.119 1.914 2.654 . 0 0 "[ . 1 . 2]" 1
1246 1 80 GLU H 1 80 GLU QB . . 3.620 2.416 2.208 2.598 . 0 0 "[ . 1 . 2]" 1
1247 1 80 GLU QB 1 81 GLU H . . 4.260 3.042 2.691 3.495 . 0 0 "[ . 1 . 2]" 1
1248 1 81 GLU H 1 81 GLU QB . . 2.910 2.310 2.041 2.627 . 0 0 "[ . 1 . 2]" 1
1249 1 81 GLU HA 1 81 GLU QB . . 2.630 2.404 2.177 2.538 . 0 0 "[ . 1 . 2]" 1
1250 1 81 GLU QB 1 82 THR H . . 3.270 2.444 1.939 3.259 . 0 0 "[ . 1 . 2]" 1
1251 1 82 THR H 1 85 GLN QG . . 5.340 4.807 4.462 5.153 . 0 0 "[ . 1 . 2]" 1
1252 1 82 THR HA 1 85 GLN QG . . 3.340 2.600 2.255 3.085 . 0 0 "[ . 1 . 2]" 1
1253 1 82 THR MG 1 85 GLN QG . . 5.000 3.419 3.032 4.034 . 0 0 "[ . 1 . 2]" 1
1254 1 83 LYS H 1 83 LYS QB . . 3.680 2.207 2.049 2.573 . 0 0 "[ . 1 . 2]" 1
1255 1 83 LYS H 1 83 LYS QD . . 3.850 3.832 2.684 4.072 0.222 4 0 "[ . 1 . 2]" 1
1256 1 83 LYS HA 1 83 LYS QD . . 3.570 2.468 1.975 3.542 . 0 0 "[ . 1 . 2]" 1
1257 1 83 LYS QB 1 83 LYS QD . . 3.120 2.269 1.964 2.632 . 0 0 "[ . 1 . 2]" 1
1258 1 83 LYS QB 1 84 GLN H . . 3.160 2.687 2.468 2.824 . 0 0 "[ . 1 . 2]" 1
1259 1 84 GLN HA 1 87 LEU QD . . 4.430 3.175 2.747 3.759 . 0 0 "[ . 1 . 2]" 1
1260 1 84 GLN QE 1 85 GLN HA . . 5.140 5.674 4.296 6.784 1.644 9 11 "[*- .** +* *** **]" 1
1261 1 84 GLN QE 1 85 GLN QE . . 4.180 3.244 1.952 3.768 . 0 0 "[ . 1 . 2]" 1
1262 1 85 GLN H 1 85 GLN QG . . 3.100 2.111 1.939 2.318 . 0 0 "[ . 1 . 2]" 1
1263 1 85 GLN QG 1 86 ILE H . . 4.570 3.770 3.652 3.892 . 0 0 "[ . 1 . 2]" 1
1264 1 85 GLN QG 1 86 ILE MD . . 5.340 4.078 3.814 4.453 . 0 0 "[ . 1 . 2]" 1
1265 1 86 ILE HA 1 89 GLU QG . . 4.370 3.010 2.308 3.929 . 0 0 "[ . 1 . 2]" 1
1266 1 87 LEU H 1 87 LEU QD . . 3.760 3.620 3.448 3.745 . 0 0 "[ . 1 . 2]" 1
1267 1 87 LEU HA 1 87 LEU QD . . 3.140 2.278 1.959 2.621 . 0 0 "[ . 1 . 2]" 1
1268 1 87 LEU HA 1 90 LEU QB . . 3.570 2.001 1.917 2.226 . 0 0 "[ . 1 . 2]" 1
1269 1 87 LEU HA 1 90 LEU QD . . 3.810 2.717 1.943 3.810 . 0 0 "[ . 1 . 2]" 1
1270 1 87 LEU HB2 1 90 LEU QB . . 5.340 4.026 3.698 4.213 . 0 0 "[ . 1 . 2]" 1
1271 1 87 LEU HB3 1 90 LEU QB . . 5.340 4.653 4.369 4.951 . 0 0 "[ . 1 . 2]" 1
1272 1 87 LEU HG 1 91 GLN QG . . 4.390 2.411 1.943 4.667 0.277 16 0 "[ . 1 . 2]" 1
1273 1 87 LEU QD 1 88 THR H . . 4.110 4.016 3.712 4.187 0.077 17 0 "[ . 1 . 2]" 1
1274 1 87 LEU QD 1 90 LEU QB . . 4.550 2.579 1.969 3.109 . 0 0 "[ . 1 . 2]" 1
1275 1 87 LEU QD 1 91 GLN H . . 4.790 3.092 2.738 3.608 . 0 0 "[ . 1 . 2]" 1
1276 1 87 LEU QD 1 91 GLN QG . . 3.830 2.138 1.831 3.286 . 0 0 "[ . 1 . 2]" 1
1277 1 87 LEU QD 1 91 GLN QE . . 3.920 3.043 2.242 3.341 . 0 0 "[ . 1 . 2]" 1
1278 1 88 THR H 1 89 GLU QG . . 4.690 4.074 3.735 4.467 . 0 0 "[ . 1 . 2]" 1
1279 1 88 THR H 1 90 LEU QB . . 5.340 4.652 4.390 4.887 . 0 0 "[ . 1 . 2]" 1
1280 1 89 GLU H 1 89 GLU QG . . 2.840 2.160 1.903 2.636 . 0 0 "[ . 1 . 2]" 1
1281 1 89 GLU QG 1 90 LEU H . . 4.650 2.831 1.919 3.931 . 0 0 "[ . 1 . 2]" 1
1282 1 90 LEU H 1 90 LEU QB . . 2.710 2.205 2.027 2.556 . 0 0 "[ . 1 . 2]" 1
1283 1 90 LEU H 1 90 LEU QD . . 3.620 3.082 1.964 3.866 0.246 9 0 "[ . 1 . 2]" 1
1284 1 90 LEU HA 1 90 LEU QD . . 3.080 2.135 1.980 2.598 . 0 0 "[ . 1 . 2]" 1
1285 1 90 LEU QB 1 91 GLN H . . 3.180 2.358 2.005 2.757 . 0 0 "[ . 1 . 2]" 1
1286 1 90 LEU QD 1 91 GLN H . . 4.870 3.866 3.360 4.157 . 0 0 "[ . 1 . 2]" 1
1287 1 91 GLN H 1 91 GLN QG . . 3.660 2.224 1.877 3.999 0.339 14 0 "[ . 1 . 2]" 1
1288 1 91 GLN HA 1 91 GLN QG . . 3.120 3.295 2.694 3.451 0.331 12 0 "[ . 1 . 2]" 1
1289 1 91 GLN QE 1 91 GLN QG . . 3.020 2.187 2.081 2.527 . 0 0 "[ . 1 . 2]" 1
1290 1 91 GLN QG 1 92 LYS H . . 4.400 2.819 1.925 3.803 . 0 0 "[ . 1 . 2]" 1
1291 1 92 LYS H 1 92 LYS QG . . 4.340 3.843 2.552 4.160 . 0 0 "[ . 1 . 2]" 1
1292 1 92 LYS HA 1 92 LYS QG . . 3.700 2.407 2.004 3.326 . 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 74
_Distance_constraint_stats_list.Viol_count 1420
_Distance_constraint_stats_list.Viol_total 17693.164
_Distance_constraint_stats_list.Viol_max 2.940
_Distance_constraint_stats_list.Viol_rms 0.5181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5977
_Distance_constraint_stats_list.Viol_average_violations_only 0.6230
_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 2 LYS 21.012 1.297 12 10 "[ ***. * *1 + *- * *]"
1 3 GLN 35.431 1.388 7 20 [*-****+*************]
1 4 VAL 27.599 1.381 5 10 "[*** +** 1* * . * -]"
1 5 LEU 54.970 1.378 9 20 [********+***********]
1 6 VAL 54.493 1.481 19 20 [************-*****+*]
1 7 ALA 25.796 1.387 3 13 "[ + *-***1 ***** **]"
1 16 THR 1.773 0.155 6 0 "[ . 1 . 2]"
1 17 VAL 8.878 0.744 19 2 "[ . 1 . +*]"
1 18 VAL 1.833 0.151 9 0 "[ . 1 . 2]"
1 20 ASN 37.755 1.590 20 20 [*****************-*+]
1 21 ALA 27.620 0.772 2 10 "[ + . ** * * -.* ***]"
1 22 ILE 3.406 0.151 9 0 "[ . 1 . 2]"
1 23 GLU 25.921 0.932 4 17 "[* *+*****-******* *]"
1 24 GLU 72.967 1.590 20 20 [*****************-*+]
1 25 MET 35.745 0.772 2 12 "[ + **** * **-.* **2]"
1 26 ALA 7.850 0.426 9 0 "[ . 1 . 2]"
1 27 LYS 25.921 0.932 4 17 "[* *+*****-******* *]"
1 28 GLU 36.985 1.554 18 20 [********-********+**]
1 29 HIS 17.003 0.630 6 5 "[ * *+ * 1 - . 2]"
1 30 ASN 6.276 0.426 9 0 "[ . 1 . 2]"
1 34 ASP 40.606 1.381 5 16 "[****+** *1***** ** -]"
1 36 LYS 29.312 1.481 19 20 [******-***********+*]
1 38 ILE 33.185 1.227 13 18 "[* ***-***** +*******]"
1 39 LYS 6.668 0.386 6 0 "[ . 1 . 2]"
1 41 THR 58.778 2.575 7 18 "[*-*** +********** **]"
1 42 GLU 59.798 2.940 20 20 [**-****************+]
1 44 GLY 58.778 2.575 7 18 "[*-*** +********** **]"
1 45 PRO 63.127 1.993 12 20 [***********+-*******]
1 46 TYR 105.833 2.940 20 20 [**-****************+]
1 48 ASP 63.127 1.993 12 20 [***********+-*******]
1 50 ALA 52.703 2.070 13 20 [*********-**+*******]
1 52 LEU 58.645 1.388 7 20 [*-****+*************]
1 53 LEU 20.288 0.758 5 12 "[* * +** * ***-**2]"
1 54 VAL 57.552 1.387 3 20 [**+**-**************]
1 55 THR 48.296 1.448 6 18 "[*****+********-*** 2]"
1 68 ILE 46.806 1.204 9 17 "[*** ****+*** ***-**2]"
1 70 ALA 21.778 1.448 6 10 "[ *.+ **1 ***-* * 2]"
1 71 ARG 21.830 1.066 1 13 "[+ **** *** * - ** *]"
1 72 ASN 40.530 2.096 17 19 "[***-******* ****+***]"
1 74 LEU 21.830 1.066 1 13 "[+ **** *** * - ** *]"
1 75 THR 40.530 2.096 17 19 "[***-******* ****+***]"
1 78 GLY 43.731 2.479 15 18 "[****-* **** **+*****]"
1 79 ILE 4.847 1.769 4 1 "[ +. 1 . 2]"
1 80 GLU 23.687 1.685 7 10 "[ * ** +*-*** . * 2]"
1 82 THR 62.649 2.479 15 19 "[*********** -*+*****]"
1 83 LYS 5.842 1.769 4 1 "[ +. 1 . 2]"
1 84 GLN 51.141 1.685 7 19 "[**-** +*************]"
1 86 ILE 28.133 1.550 13 11 "[** *.** *** + . **2]"
1 87 LEU 17.189 0.930 5 7 "[ * +- **1* . *2]"
1 88 THR 27.454 1.467 19 16 "[**- * **** ***** *+*]"
1 90 LEU 9.214 1.550 13 5 "[- *. *1 + . *2]"
1 91 GLN 16.194 0.930 5 7 "[ * +- **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 4 VAL H 1 34 ASP O . . 1.800 2.280 1.827 3.181 1.381 5 9 "[*** +* 1* * . - *]" 2
2 1 4 VAL N 1 34 ASP O . . 2.700 3.199 2.791 3.997 1.297 5 8 "[*** +* 1* * . -]" 2
3 1 5 LEU H 1 52 LEU O . . 1.800 2.389 2.086 3.178 1.378 9 12 "[ ** *-**+1*** . * *]" 2
4 1 5 LEU N 1 52 LEU O . . 2.700 3.271 2.990 3.744 1.044 9 10 "[ *- * **+1*** . *]" 2
5 1 6 VAL H 1 36 LYS O . . 1.800 2.671 2.510 3.281 1.481 19 20 [*****-************+*] 2
6 1 6 VAL N 1 36 LYS O . . 2.700 2.894 2.744 3.332 0.632 19 3 "[ . * 1 - . +2]" 2
7 1 7 ALA H 1 54 VAL O . . 1.800 2.497 1.812 3.187 1.387 3 13 "[ + *-***1 ***** **]" 2
8 1 7 ALA N 1 54 VAL O . . 2.700 3.292 2.749 3.897 1.197 9 12 "[ * *-**+1 * *** **]" 2
9 1 16 THR O 1 20 ASN H . . 1.800 1.824 1.796 1.892 0.092 6 0 "[ . 1 . 2]" 2
10 1 16 THR O 1 20 ASN N . . 2.700 2.765 2.740 2.855 0.155 6 0 "[ . 1 . 2]" 2
11 1 17 VAL O 1 21 ALA H . . 1.800 2.089 1.946 2.544 0.744 19 2 "[ . 1 . +-]" 2
12 1 17 VAL O 1 21 ALA N . . 2.700 2.855 2.745 3.233 0.533 19 1 "[ . 1 . +2]" 2
13 1 18 VAL O 1 22 ILE H . . 1.800 1.818 1.781 1.892 0.092 5 0 "[ . 1 . 2]" 2
14 1 18 VAL O 1 22 ILE N . . 2.700 2.768 2.738 2.851 0.151 9 0 "[ . 1 . 2]" 2
15 1 20 ASN O 1 24 GLU H . . 1.800 2.762 2.429 3.390 1.590 20 20 [*****************-*+] 2
16 1 20 ASN O 1 24 GLU N . . 2.700 3.537 3.191 4.205 1.505 20 19 "[****-************ *+]" 2
17 1 21 ALA O 1 25 MET H . . 1.800 2.285 2.127 2.572 0.772 2 9 "[ + . ** * * -.* **2]" 2
18 1 21 ALA O 1 25 MET N . . 2.700 3.152 2.979 3.387 0.687 2 6 "[ + . * * .- **2]" 2
19 1 22 ILE O 1 26 ALA H . . 1.800 1.809 1.769 1.901 0.101 9 0 "[ . 1 . 2]" 2
20 1 22 ILE O 1 26 ALA N . . 2.700 2.763 2.726 2.833 0.133 8 0 "[ . 1 . 2]" 2
21 1 23 GLU O 1 27 LYS H . . 1.800 2.460 2.158 2.732 0.932 4 15 "[* *+**-**1 ****** *]" 2
22 1 23 GLU O 1 27 LYS N . . 2.700 3.336 3.052 3.562 0.862 4 16 "[* *+** **-******* *]" 2
23 1 24 GLU O 1 28 GLU H . . 1.800 2.733 2.457 3.354 1.554 18 20 [********-********+**] 2
24 1 24 GLU O 1 28 GLU N . . 2.700 3.616 3.331 4.204 1.504 11 20 [********-*+*********] 2
25 1 25 MET O 1 29 HIS H . . 1.800 2.225 2.057 2.430 0.630 6 5 "[ * *+ * 1 - . 2]" 2
26 1 25 MET O 1 29 HIS N . . 2.700 3.125 2.960 3.314 0.614 6 5 "[ * *+ * 1 - . 2]" 2
27 1 26 ALA O 1 30 ASN H . . 1.800 2.007 1.874 2.226 0.426 9 0 "[ . 1 . 2]" 2
28 1 26 ALA O 1 30 ASN N . . 2.700 2.807 2.739 2.980 0.280 9 0 "[ . 1 . 2]" 2
29 1 2 LYS O 1 34 ASP H . . 1.800 2.318 1.801 3.097 1.297 12 9 "[ **-. * *1 + *. * *]" 2
30 1 2 LYS O 1 34 ASP N . . 2.700 3.232 2.748 3.863 1.163 12 10 "[ ***. * *1 + *- * *]" 2
31 1 4 VAL O 1 36 LYS H . . 1.800 2.106 1.798 2.323 0.523 7 1 "[ . + 1 . 2]" 2
32 1 4 VAL O 1 36 LYS N . . 2.700 2.795 2.740 2.952 0.252 13 0 "[ . 1 . 2]" 2
33 1 6 VAL O 1 38 ILE H . . 1.800 2.648 2.088 3.027 1.227 13 18 "[* ***-***** +*******]" 2
34 1 6 VAL O 1 38 ILE N . . 2.700 3.511 3.015 3.927 1.227 4 17 "[* *+****-** *******2]" 2
35 1 39 LYS O 1 42 GLU H . . 1.800 2.064 1.936 2.186 0.386 6 0 "[ . 1 . 2]" 2
36 1 39 LYS O 1 42 GLU N . . 2.700 2.769 2.725 2.840 0.140 12 0 "[ . 1 . 2]" 2
37 1 41 THR O 1 44 GLY H . . 1.800 3.307 1.950 4.375 2.575 7 18 "[**-** +********** **]" 2
38 1 41 THR O 1 44 GLY N . . 2.700 4.131 2.827 5.209 2.509 7 17 "[*- ** +********** **]" 2
39 1 42 GLU O 1 46 TYR H . . 1.800 3.161 2.446 4.740 2.940 20 20 [**-****************+] 2
40 1 42 GLU O 1 46 TYR N . . 2.700 3.996 3.285 5.580 2.880 20 20 [**-****************+] 2
41 1 45 PRO O 1 48 ASP H . . 1.800 3.391 3.246 3.793 1.993 12 20 [***********+-*******] 2
42 1 45 PRO O 1 48 ASP N . . 2.700 4.266 4.140 4.446 1.746 12 20 [***********+-*******] 2
43 1 46 TYR O 1 50 ALA H . . 1.800 3.183 2.751 3.870 2.070 13 20 [*********-**+*******] 2
44 1 46 TYR O 1 50 ALA N . . 2.700 3.952 3.511 4.695 1.995 13 20 [*********-**+*******] 2
45 1 3 GLN O 1 52 LEU H . . 1.800 2.686 2.351 3.188 1.388 7 20 [*-****+*************] 2
46 1 3 GLN O 1 52 LEU N . . 2.700 3.585 3.210 3.980 1.280 3 20 [*-+*****************] 2
47 1 5 LEU O 1 54 VAL H . . 1.800 2.596 2.257 2.974 1.174 18 18 "[****.** -********+**]" 2
48 1 5 LEU O 1 54 VAL N . . 2.700 3.492 3.130 3.814 1.114 18 19 "[****-** *********+**]" 2
49 1 55 THR H 1 68 ILE O . . 1.800 2.500 2.057 3.004 1.204 9 13 "[*-* * **+*** *** 2]" 2
50 1 55 THR N 1 68 ILE O . . 2.700 3.326 2.988 3.594 0.894 9 14 "[*** * **+*** ***- 2]" 2
51 1 53 LEU O 1 68 ILE H . . 1.800 2.290 2.013 2.497 0.697 5 11 "[* * +** * *.*-**2]" 2
52 1 53 LEU O 1 68 ILE N . . 2.700 3.224 2.935 3.458 0.758 5 12 "[* * +** * *-****2]" 2
53 1 55 THR O 1 70 ALA H . . 1.800 2.370 1.849 3.248 1.448 6 10 "[ *.+ **1 ***-* * 2]" 2
54 1 55 THR O 1 70 ALA N . . 2.700 3.219 2.748 4.063 1.363 9 8 "[ *.* *+1 ***. - 2]" 2
55 1 71 ARG O 1 74 LEU H . . 1.800 2.476 1.863 2.866 1.066 1 13 "[+ **-* *** * * ** *]" 2
56 1 71 ARG O 1 74 LEU N . . 2.700 3.116 2.738 3.475 0.775 20 9 "[* *.* ** * - * +]" 2
57 1 72 ASN O 1 75 THR H . . 1.800 2.922 2.118 3.896 2.096 17 19 "[***-******* ****+***]" 2
58 1 72 ASN O 1 75 THR N . . 2.700 3.604 2.953 4.538 1.838 3 15 "[* + *** *** * *****-]" 2
59 1 78 GLY O 1 82 THR H . . 1.800 2.891 2.177 4.243 2.443 15 18 "[****-* **** **+*****]" 2
60 1 78 GLY O 1 82 THR N . . 2.700 3.796 3.100 5.179 2.479 15 18 "[****** **** *-+*****]" 2
61 1 79 ILE O 1 83 LYS H . . 1.800 1.910 1.790 3.569 1.769 4 1 "[ +. 1 . 2]" 2
62 1 79 ILE O 1 83 LYS N . . 2.700 2.830 2.725 4.299 1.599 4 1 "[ +. 1 . 2]" 2
63 1 80 GLU O 1 84 GLN H . . 1.800 2.420 1.921 3.485 1.685 7 10 "[ * ** +***-* . * 2]" 2
64 1 80 GLU O 1 84 GLN N . . 2.700 3.264 2.752 4.264 1.564 7 9 "[ * ** + -*** . * 2]" 2
65 1 82 THR O 1 86 ILE H . . 1.800 2.250 2.017 2.523 0.723 7 8 "[ * *.*+ ** - . * 2]" 2
66 1 82 THR O 1 86 ILE N . . 2.700 3.196 2.978 3.448 0.748 7 8 "[ * *.*+ ** - . * 2]" 2
67 1 83 LYS O 1 87 LEU H . . 1.800 1.801 1.758 1.879 0.079 1 0 "[ . 1 . 2]" 2
68 1 83 LYS O 1 87 LEU N . . 2.700 2.741 2.710 2.757 0.057 1 0 "[ . 1 . 2]" 2
69 1 84 GLN O 1 88 THR H . . 1.800 2.546 1.907 3.267 1.467 19 16 "[*** * **** ***** -+*]" 2
70 1 84 GLN O 1 88 THR N . . 2.700 3.327 2.805 3.911 1.211 19 13 "[ *- * *** ***** +*]" 2
71 1 86 ILE O 1 90 LEU H . . 1.800 2.040 1.777 3.350 1.550 13 4 "[- . *1 + . *2]" 2
72 1 86 ILE O 1 90 LEU N . . 2.700 2.914 2.744 3.603 0.903 19 4 "[* -. 1 * . +2]" 2
73 1 87 LEU O 1 91 GLN H . . 1.800 2.197 1.801 2.730 0.930 5 6 "[ +* **1* . -2]" 2
74 1 87 LEU O 1 91 GLN N . . 2.700 3.112 2.743 3.542 0.842 5 7 "[ * +- **1* . *2]" 2
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