NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
532006 |
2lo1   |
18190 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lo1
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 1246
_Distance_constraint_stats_list.Viol_count 3135
_Distance_constraint_stats_list.Viol_total 13879.033
_Distance_constraint_stats_list.Viol_max 3.410
_Distance_constraint_stats_list.Viol_rms 0.1539
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0278
_Distance_constraint_stats_list.Viol_average_violations_only 0.2214
_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 2 MET 3.150 0.163 1 0 "[ . 1 . 2]"
1 3 VAL 1.523 0.136 4 0 "[ . 1 . 2]"
1 4 LYS 5.339 0.163 1 0 "[ . 1 . 2]"
1 5 GLU 5.319 0.472 10 0 "[ . 1 . 2]"
1 6 THR 48.979 2.067 12 20 [*********-*+********]
1 7 THR 134.439 2.504 9 20 [***-****+***********]
1 8 TYR 35.551 0.804 12 5 "[ . -1*+ .* *2]"
1 9 TYR 120.177 2.504 9 20 [***-****+***********]
1 10 ASP 26.949 1.297 19 20 [*-****************+*]
1 11 VAL 84.226 2.067 12 20 [*****-*****+********]
1 12 LEU 11.174 0.591 16 2 "[- . 1 .+ 2]"
1 13 GLY 0.542 0.420 17 0 "[ . 1 . 2]"
1 14 VAL 12.966 0.841 17 14 "[** .***-** **.*+**2]"
1 15 LYS 8.068 0.363 11 0 "[ . 1 . 2]"
1 16 PRO 12.257 0.700 14 6 "[** .- *1 +.* 2]"
1 17 ASN 1.584 0.292 14 0 "[ . 1 . 2]"
1 18 ALA 8.138 0.683 7 4 "[ . + 1* * - 2]"
1 19 THR 3.970 0.790 10 2 "[ . + . -2]"
1 20 GLN 0.601 0.105 13 0 "[ . 1 . 2]"
1 21 GLU 5.601 0.790 10 3 "[ . - + . *2]"
1 22 GLU 7.626 0.683 7 4 "[ . + 1* * - 2]"
1 23 LEU 33.935 1.084 15 18 "[****. *-******+*****]"
1 24 LYS 3.702 0.212 20 0 "[ . 1 . 2]"
1 25 LYS 50.745 2.610 20 20 [****************-**+]
1 26 ALA 9.516 1.037 6 7 "[*-* .+ * 1 * .* 2]"
1 27 TYR 41.025 1.855 2 20 [*+***********-******]
1 28 ARG 15.753 1.857 1 8 "[+* .*** 1 * * - 2]"
1 29 LYS 59.916 2.610 20 20 [*-*****************+]
1 30 LEU 21.483 1.691 5 11 "[**-*+ * *** . * *]"
1 31 ALA 7.382 0.478 6 0 "[ . 1 . 2]"
1 32 LEU 8.133 0.331 12 0 "[ . 1 . 2]"
1 33 LYS 5.994 0.814 4 3 "[ -+. 1 . *]"
1 34 TYR 13.955 0.696 17 1 "[ . 1 . + 2]"
1 35 HIS 19.635 0.911 17 16 "[-****** **** ***+* 2]"
1 36 PRO 4.733 0.212 7 0 "[ . 1 . 2]"
1 37 ASP 16.793 0.911 17 16 "[-****** **** ***+* 2]"
1 38 LYS 7.002 0.856 7 1 "[ . + 1 . 2]"
1 39 ASN 8.871 0.856 7 1 "[ . + 1 . 2]"
1 40 PRO 3.623 0.085 11 0 "[ . 1 . 2]"
1 41 ASN 4.854 0.351 3 0 "[ . 1 . 2]"
1 42 GLU 4.352 0.274 17 0 "[ . 1 . 2]"
1 43 GLY 1.943 0.351 3 0 "[ . 1 . 2]"
1 44 GLU 3.823 0.407 17 0 "[ . 1 . 2]"
1 45 LYS 10.931 0.696 17 1 "[ . 1 . + 2]"
1 46 PHE 10.025 0.208 14 0 "[ . 1 . 2]"
1 47 LYS 8.050 0.580 5 1 "[ + 1 . 2]"
1 48 GLN 4.754 0.338 1 0 "[ . 1 . 2]"
1 49 ILE 16.892 0.264 5 0 "[ . 1 . 2]"
1 50 SER 8.894 0.609 14 1 "[ . 1 +. 2]"
1 51 GLN 36.040 0.804 12 9 "[ ** * - + *** *2]"
1 52 ALA 7.357 0.393 16 0 "[ . 1 . 2]"
1 53 TYR 14.222 0.926 7 7 "[ * . +- * * .* *2]"
1 54 GLU 17.375 0.714 16 5 "[ . * 1 *+- *2]"
1 55 VAL 26.246 0.801 16 6 "[ ** * - .+* 2]"
1 56 LEU 4.836 0.158 18 0 "[ . 1 . 2]"
1 57 SER 4.884 1.084 15 3 "[ - . 1 + * 2]"
1 58 ASP 3.886 0.460 14 0 "[ . 1 . 2]"
1 59 ALA 0.772 0.080 15 0 "[ . 1 . 2]"
1 60 LYS 6.855 0.761 12 3 "[ . * + .- 2]"
1 61 LYS 11.514 0.808 8 3 "[ . +-1 .* 2]"
1 62 ARG 4.564 0.307 10 0 "[ . 1 . 2]"
1 63 GLU 0.470 0.061 12 0 "[ . 1 . 2]"
1 64 LEU 12.206 1.037 3 13 "[ *+** * *1-***. ***2]"
1 65 TYR 82.957 3.410 7 20 [******+****-********]
1 66 ASP 3.499 0.150 12 0 "[ . 1 . 2]"
1 67 LYS 5.006 0.105 13 0 "[ . 1 . 2]"
1 68 GLY 1.968 0.150 12 0 "[ . 1 . 2]"
1 69 GLY 20.483 1.037 3 15 "[**+*- * *1****. ****]"
1 70 GLU 70.894 3.410 7 19 [******+****-**.*****]
1 71 GLN 6.458 0.375 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 MET HA 1 3 VAL H . . 3.030 2.935 2.224 3.113 0.083 7 0 "[ . 1 . 2]" 1
2 1 2 MET HA 1 3 VAL QG . . 5.360 4.377 3.931 4.690 . 0 0 "[ . 1 . 2]" 1
3 1 2 MET HA 1 4 LYS H . . 4.930 4.910 4.164 5.093 0.163 1 0 "[ . 1 . 2]" 1
4 1 2 MET HA 1 4 LYS QD . . 2.900 2.835 2.426 2.987 0.087 2 0 "[ . 1 . 2]" 1
5 1 3 VAL H 1 3 VAL QG . . 3.670 2.141 1.839 2.835 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL HA 1 4 LYS H . . 2.770 2.190 2.072 2.442 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL HA 1 5 GLU QG . . 3.630 3.249 2.328 3.720 0.090 20 0 "[ . 1 . 2]" 1
8 1 3 VAL HB 1 4 LYS H . . 4.670 4.364 3.690 4.572 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL QG 1 4 LYS H . . 4.440 3.297 2.948 3.825 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 5 GLU H . . 4.800 2.672 1.970 3.775 . 0 0 "[ . 1 . 2]" 1
11 1 3 VAL QG 1 5 GLU HB3 . . 5.460 4.782 4.178 5.596 0.136 4 0 "[ . 1 . 2]" 1
12 1 3 VAL QG 1 5 GLU QG . . 5.020 2.771 1.989 3.786 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL QG 1 6 THR HA . . 5.100 4.629 4.172 5.191 0.091 12 0 "[ . 1 . 2]" 1
14 1 3 VAL QG 1 6 THR MG . . 3.990 3.566 2.654 4.111 0.121 14 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 4 LYS QB . . 3.090 2.843 2.353 3.231 0.141 15 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS QD . . 3.910 3.173 2.449 4.019 0.109 20 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS QG . . 4.320 3.041 2.267 3.971 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 5 GLU H . . 3.340 2.590 2.017 3.465 0.125 6 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 5 GLU HB3 . . 5.500 4.140 3.415 5.600 0.100 10 0 "[ . 1 . 2]" 1
20 1 4 LYS H 1 5 GLU QG . . 4.690 2.985 2.214 3.905 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HA 1 4 LYS QG . . 3.810 2.959 2.260 3.487 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS HA 1 5 GLU H . . 2.890 2.788 2.403 2.993 0.103 3 0 "[ . 1 . 2]" 1
23 1 4 LYS HA 1 5 GLU QG . . 5.240 4.642 4.201 5.210 . 0 0 "[ . 1 . 2]" 1
24 1 4 LYS QB 1 5 GLU H . . 4.010 3.915 3.637 4.122 0.112 15 0 "[ . 1 . 2]" 1
25 1 4 LYS QG 1 5 GLU H . . 4.720 4.486 3.788 4.857 0.137 9 0 "[ . 1 . 2]" 1
26 1 5 GLU H 1 5 GLU HB2 . . 3.900 3.799 2.870 3.948 0.048 18 0 "[ . 1 . 2]" 1
27 1 5 GLU H 1 5 GLU HB3 . . 3.410 3.382 3.032 3.882 0.472 10 0 "[ . 1 . 2]" 1
28 1 5 GLU H 1 5 GLU QG . . 3.910 2.397 2.030 3.091 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLU H 1 6 THR MG . . 5.500 4.739 4.123 5.378 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLU HA 1 5 GLU QG . . 3.610 3.360 2.427 3.504 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU HA 1 6 THR H . . 2.750 2.431 2.097 2.837 0.087 9 0 "[ . 1 . 2]" 1
32 1 5 GLU HB2 1 5 GLU QG . . 2.670 2.381 2.155 2.567 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLU HB2 1 6 THR H . . 4.380 4.086 3.317 4.501 0.121 5 0 "[ . 1 . 2]" 1
34 1 5 GLU HB3 1 5 GLU QG . . 2.660 2.377 2.130 2.570 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU HB3 1 6 THR H . . 4.490 4.473 4.175 4.633 0.143 3 0 "[ . 1 . 2]" 1
36 1 5 GLU QG 1 6 THR H . . 4.630 4.305 3.502 4.732 0.102 18 0 "[ . 1 . 2]" 1
37 1 6 THR H 1 6 THR HB . . 4.000 3.234 2.777 3.637 . 0 0 "[ . 1 . 2]" 1
38 1 6 THR H 1 6 THR MG . . 3.840 3.869 3.461 3.956 0.116 11 0 "[ . 1 . 2]" 1
39 1 6 THR HA 1 6 THR MG . . 3.190 2.185 2.092 2.280 . 0 0 "[ . 1 . 2]" 1
40 1 6 THR HA 1 7 THR H . . 3.160 2.340 2.177 2.487 . 0 0 "[ . 1 . 2]" 1
41 1 6 THR HA 1 10 ASP HB2 . . 4.770 4.781 4.531 4.851 0.081 18 0 "[ . 1 . 2]" 1
42 1 6 THR HB 1 7 THR H . . 4.860 3.199 2.430 3.888 . 0 0 "[ . 1 . 2]" 1
43 1 6 THR HB 1 10 ASP HB2 . . 4.870 2.488 2.074 3.346 . 0 0 "[ . 1 . 2]" 1
44 1 6 THR HB 1 10 ASP HB3 . . 4.760 2.673 2.100 3.435 . 0 0 "[ . 1 . 2]" 1
45 1 6 THR HB 1 11 VAL QG . . 5.250 3.974 3.234 4.668 . 0 0 "[ . 1 . 2]" 1
46 1 6 THR MG 1 7 THR H . . 4.480 2.388 2.098 2.668 . 0 0 "[ . 1 . 2]" 1
47 1 6 THR MG 1 7 THR MG . . 3.050 3.037 2.435 3.181 0.131 19 0 "[ . 1 . 2]" 1
48 1 6 THR MG 1 9 TYR QD . . 5.210 5.843 5.074 6.472 1.262 16 12 "[** *** *- * *.+ **]" 1
49 1 6 THR MG 1 10 ASP H . . 5.500 3.759 3.246 4.333 . 0 0 "[ . 1 . 2]" 1
50 1 6 THR MG 1 10 ASP HB2 . . 3.930 2.341 2.087 2.841 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR MG 1 10 ASP HB3 . . 4.090 2.997 2.454 3.608 . 0 0 "[ . 1 . 2]" 1
52 1 6 THR MG 1 11 VAL H . . 5.320 4.929 4.578 5.395 0.075 1 0 "[ . 1 . 2]" 1
53 1 6 THR MG 1 11 VAL HA . . 4.750 6.267 5.732 6.817 2.067 12 20 [***********+*******-] 1
54 1 6 THR MG 1 16 PRO QB . . 4.860 4.624 4.148 4.781 . 0 0 "[ . 1 . 2]" 1
55 1 6 THR MG 1 16 PRO HD3 . . 4.860 4.682 4.274 4.953 0.093 1 0 "[ . 1 . 2]" 1
56 1 6 THR MG 1 16 PRO QG . . 4.960 4.588 4.006 4.872 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR H 1 7 THR MG . . 3.650 2.280 2.094 2.517 . 0 0 "[ . 1 . 2]" 1
58 1 7 THR H 1 10 ASP H . . 5.300 4.411 4.107 4.627 . 0 0 "[ . 1 . 2]" 1
59 1 7 THR H 1 10 ASP HB2 . . 4.150 4.134 3.432 4.233 0.083 17 0 "[ . 1 . 2]" 1
60 1 7 THR HA 1 7 THR HB . . 2.990 2.502 2.459 2.549 . 0 0 "[ . 1 . 2]" 1
61 1 7 THR HA 1 7 THR MG . . 3.200 3.246 3.205 3.260 0.060 18 0 "[ . 1 . 2]" 1
62 1 7 THR HA 1 8 TYR H . . 2.960 2.418 2.267 2.623 . 0 0 "[ . 1 . 2]" 1
63 1 7 THR HA 1 9 TYR H . . 4.500 4.508 4.274 4.565 0.065 8 0 "[ . 1 . 2]" 1
64 1 7 THR HA 1 65 TYR QE . . 4.820 4.353 3.987 4.657 . 0 0 "[ . 1 . 2]" 1
65 1 7 THR HB 1 8 TYR H . . 3.390 3.555 3.543 3.566 0.176 17 0 "[ . 1 . 2]" 1
66 1 7 THR HB 1 9 TYR H . . 3.950 4.736 4.451 5.288 1.338 7 20 [***-**+*************] 1
67 1 7 THR HB 1 9 TYR HB2 . . 5.310 5.339 5.151 5.389 0.079 17 0 "[ . 1 . 2]" 1
68 1 7 THR HB 1 9 TYR QD . . 3.170 4.916 4.672 5.263 2.093 9 20 [********+*******-***] 1
69 1 7 THR HB 1 9 TYR QE . . 4.590 6.388 5.649 7.094 2.504 9 20 [********+*******-***] 1
70 1 7 THR HB 1 10 ASP H . . 4.440 5.446 5.009 5.737 1.297 19 20 [*-****************+*] 1
71 1 7 THR HB 1 65 TYR QE . . 3.430 4.313 4.177 4.493 1.063 11 20 [-*********+*********] 1
72 1 7 THR MG 1 8 TYR H . . 4.590 2.807 2.578 2.971 . 0 0 "[ . 1 . 2]" 1
73 1 7 THR MG 1 8 TYR QD . . 4.680 4.790 4.743 4.811 0.131 16 0 "[ . 1 . 2]" 1
74 1 7 THR MG 1 9 TYR H . . 4.950 2.045 1.795 2.922 . 0 0 "[ . 1 . 2]" 1
75 1 7 THR MG 1 9 TYR HB2 . . 5.190 2.381 2.187 2.514 . 0 0 "[ . 1 . 2]" 1
76 1 7 THR MG 1 9 TYR QD . . 5.140 2.293 2.059 2.567 . 0 0 "[ . 1 . 2]" 1
77 1 7 THR MG 1 9 TYR QE . . 5.200 3.883 3.239 4.396 . 0 0 "[ . 1 . 2]" 1
78 1 7 THR MG 1 10 ASP H . . 5.500 2.962 2.471 3.264 . 0 0 "[ . 1 . 2]" 1
79 1 7 THR MG 1 10 ASP HB2 . . 5.490 3.717 2.875 4.230 . 0 0 "[ . 1 . 2]" 1
80 1 7 THR MG 1 11 VAL H . . 5.500 4.633 4.192 5.253 . 0 0 "[ . 1 . 2]" 1
81 1 7 THR MG 1 11 VAL QG . . 5.500 4.743 4.548 5.432 . 0 0 "[ . 1 . 2]" 1
82 1 7 THR MG 1 65 TYR QE . . 4.570 3.773 3.526 3.929 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR H 1 8 TYR HB2 . . 3.250 2.453 2.354 2.601 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR H 1 8 TYR HB3 . . 3.790 3.593 3.491 3.665 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR H 1 8 TYR QD . . 3.500 3.148 2.954 3.271 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR H 1 9 TYR H . . 3.460 2.972 2.757 3.551 0.091 7 0 "[ . 1 . 2]" 1
87 1 8 TYR H 1 10 ASP H . . 5.500 4.777 4.405 5.296 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR H 1 52 ALA MB . . 5.500 4.704 4.422 4.933 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR H 1 56 LEU QD . . 5.500 4.191 3.909 4.559 . 0 0 "[ . 1 . 2]" 1
90 1 8 TYR H 1 65 TYR QE . . 3.410 3.037 2.500 3.385 . 0 0 "[ . 1 . 2]" 1
91 1 8 TYR HA 1 8 TYR QD . . 2.400 2.152 2.010 2.283 . 0 0 "[ . 1 . 2]" 1
92 1 8 TYR HA 1 8 TYR QE . . 4.740 4.403 4.258 4.598 . 0 0 "[ . 1 . 2]" 1
93 1 8 TYR HA 1 10 ASP H . . 5.500 4.511 4.104 4.816 . 0 0 "[ . 1 . 2]" 1
94 1 8 TYR HA 1 11 VAL H . . 3.920 3.483 3.215 3.778 . 0 0 "[ . 1 . 2]" 1
95 1 8 TYR HA 1 11 VAL HB . . 3.460 2.717 2.244 3.312 . 0 0 "[ . 1 . 2]" 1
96 1 8 TYR HA 1 11 VAL QG . . 3.290 2.636 2.262 3.215 . 0 0 "[ . 1 . 2]" 1
97 1 8 TYR HA 1 12 LEU H . . 5.450 4.442 3.865 5.252 . 0 0 "[ . 1 . 2]" 1
98 1 8 TYR HA 1 52 ALA HA . . 4.750 3.941 3.588 4.300 . 0 0 "[ . 1 . 2]" 1
99 1 8 TYR HA 1 52 ALA MB . . 3.620 2.574 2.236 2.827 . 0 0 "[ . 1 . 2]" 1
100 1 8 TYR HA 1 56 LEU QD . . 4.940 4.145 3.911 4.477 . 0 0 "[ . 1 . 2]" 1
101 1 8 TYR HB2 1 9 TYR H . . 4.460 3.170 2.717 4.389 . 0 0 "[ . 1 . 2]" 1
102 1 8 TYR HB2 1 52 ALA HA . . 4.420 4.222 3.783 4.482 0.062 10 0 "[ . 1 . 2]" 1
103 1 8 TYR HB2 1 52 ALA MB . . 4.270 3.739 3.625 3.910 . 0 0 "[ . 1 . 2]" 1
104 1 8 TYR HB2 1 56 LEU QD . . 3.780 2.384 2.068 2.760 . 0 0 "[ . 1 . 2]" 1
105 1 8 TYR HB2 1 56 LEU HG . . 5.080 3.700 3.241 4.463 . 0 0 "[ . 1 . 2]" 1
106 1 8 TYR HB2 1 65 TYR QE . . 3.250 3.308 2.814 3.444 0.194 13 0 "[ . 1 . 2]" 1
107 1 8 TYR HB3 1 9 TYR H . . 5.030 3.940 3.583 4.511 . 0 0 "[ . 1 . 2]" 1
108 1 8 TYR HB3 1 52 ALA MB . . 3.910 2.230 2.090 2.445 . 0 0 "[ . 1 . 2]" 1
109 1 8 TYR HB3 1 55 VAL MG2 . . 5.500 4.580 3.692 5.550 0.050 15 0 "[ . 1 . 2]" 1
110 1 8 TYR HB3 1 56 LEU H . . 4.960 4.945 4.598 5.118 0.158 18 0 "[ . 1 . 2]" 1
111 1 8 TYR HB3 1 56 LEU QD . . 3.470 2.429 2.133 2.800 . 0 0 "[ . 1 . 2]" 1
112 1 8 TYR HB3 1 56 LEU HG . . 4.340 3.593 3.007 4.424 0.084 6 0 "[ . 1 . 2]" 1
113 1 8 TYR HB3 1 65 TYR QE . . 5.310 4.782 4.349 4.951 . 0 0 "[ . 1 . 2]" 1
114 1 8 TYR QD 1 11 VAL H . . 5.500 5.203 4.850 5.422 . 0 0 "[ . 1 . 2]" 1
115 1 8 TYR QD 1 11 VAL HB . . 3.670 3.853 3.066 4.351 0.681 19 4 "[ . -1* .* +2]" 1
116 1 8 TYR QD 1 11 VAL QG . . 3.280 2.907 2.413 3.332 0.052 17 0 "[ . 1 . 2]" 1
117 1 8 TYR QD 1 52 ALA H . . 5.500 4.482 4.256 4.726 . 0 0 "[ . 1 . 2]" 1
118 1 8 TYR QD 1 52 ALA HA . . 3.890 2.709 2.445 3.065 . 0 0 "[ . 1 . 2]" 1
119 1 8 TYR QD 1 52 ALA MB . . 2.920 2.375 2.155 2.655 . 0 0 "[ . 1 . 2]" 1
120 1 8 TYR QD 1 55 VAL HB . . 3.210 3.054 2.742 3.325 0.115 4 0 "[ . 1 . 2]" 1
121 1 8 TYR QD 1 55 VAL MG1 . . 3.080 2.896 2.406 3.243 0.163 16 0 "[ . 1 . 2]" 1
122 1 8 TYR QD 1 55 VAL MG2 . . 3.580 3.431 3.040 3.684 0.104 17 0 "[ . 1 . 2]" 1
123 1 8 TYR QD 1 56 LEU H . . 5.500 5.141 4.507 5.501 0.001 7 0 "[ . 1 . 2]" 1
124 1 8 TYR QD 1 56 LEU QD . . 3.350 3.098 2.600 3.381 0.031 19 0 "[ . 1 . 2]" 1
125 1 8 TYR QD 1 56 LEU HG . . 5.170 4.080 3.240 5.243 0.073 10 0 "[ . 1 . 2]" 1
126 1 8 TYR QD 1 65 TYR QD . . 3.720 3.039 2.521 3.488 . 0 0 "[ . 1 . 2]" 1
127 1 8 TYR QD 1 65 TYR QE . . 3.340 2.501 2.304 2.988 . 0 0 "[ . 1 . 2]" 1
128 1 8 TYR QE 1 51 GLN HB3 . . 4.260 4.560 4.125 4.713 0.453 19 0 "[ . 1 . 2]" 1
129 1 8 TYR QE 1 51 GLN HG2 . . 5.240 3.924 3.053 5.357 0.117 7 0 "[ . 1 . 2]" 1
130 1 8 TYR QE 1 51 GLN HG3 . . 4.350 3.923 2.425 5.154 0.804 12 1 "[ . 1 + . 2]" 1
131 1 8 TYR QE 1 52 ALA H . . 5.500 5.123 4.521 5.397 . 0 0 "[ . 1 . 2]" 1
132 1 8 TYR QE 1 52 ALA HA . . 3.590 3.657 3.398 3.789 0.199 11 0 "[ . 1 . 2]" 1
133 1 8 TYR QE 1 52 ALA MB . . 4.060 3.956 3.369 4.231 0.171 12 0 "[ . 1 . 2]" 1
134 1 8 TYR QE 1 55 VAL H . . 5.350 5.328 4.880 5.527 0.177 20 0 "[ . 1 . 2]" 1
135 1 8 TYR QE 1 55 VAL HB . . 3.300 3.632 3.141 3.715 0.415 7 0 "[ . 1 . 2]" 1
136 1 8 TYR QE 1 55 VAL MG1 . . 2.800 2.402 2.219 2.896 0.096 15 0 "[ . 1 . 2]" 1
137 1 8 TYR QE 1 55 VAL MG2 . . 2.730 2.545 2.278 2.771 0.041 10 0 "[ . 1 . 2]" 1
138 1 8 TYR QE 1 65 TYR QB . . 4.600 4.275 3.607 4.686 0.086 4 0 "[ . 1 . 2]" 1
139 1 8 TYR QE 1 65 TYR QD . . 3.390 2.992 2.564 3.543 0.153 18 0 "[ . 1 . 2]" 1
140 1 9 TYR H 1 9 TYR HB2 . . 3.370 2.426 2.266 2.883 . 0 0 "[ . 1 . 2]" 1
141 1 9 TYR H 1 9 TYR HB3 . . 3.850 3.598 3.513 3.878 0.028 19 0 "[ . 1 . 2]" 1
142 1 9 TYR H 1 10 ASP H . . 3.180 2.746 2.082 3.042 . 0 0 "[ . 1 . 2]" 1
143 1 9 TYR H 1 11 VAL H . . 4.970 3.911 2.342 4.696 . 0 0 "[ . 1 . 2]" 1
144 1 9 TYR H 1 56 LEU QD . . 4.790 3.644 3.146 4.644 . 0 0 "[ . 1 . 2]" 1
145 1 9 TYR HA 1 9 TYR QD . . 2.950 2.344 2.045 2.619 . 0 0 "[ . 1 . 2]" 1
146 1 9 TYR HA 1 9 TYR QE . . 4.370 4.427 4.229 4.578 0.208 2 0 "[ . 1 . 2]" 1
147 1 9 TYR HA 1 11 VAL H . . 5.400 4.367 4.163 4.829 . 0 0 "[ . 1 . 2]" 1
148 1 9 TYR HA 1 12 LEU H . . 4.430 3.573 3.344 3.829 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR HA 1 12 LEU QB . . 3.970 3.014 2.571 3.796 . 0 0 "[ . 1 . 2]" 1
150 1 9 TYR HA 1 14 VAL QG . . 3.340 2.510 2.263 3.037 . 0 0 "[ . 1 . 2]" 1
151 1 9 TYR HA 1 23 LEU QD . . 5.180 3.245 2.789 3.573 . 0 0 "[ . 1 . 2]" 1
152 1 9 TYR HA 1 56 LEU QD . . 3.880 3.393 2.988 3.830 . 0 0 "[ . 1 . 2]" 1
153 1 9 TYR HB2 1 10 ASP H . . 3.500 2.577 2.407 2.829 . 0 0 "[ . 1 . 2]" 1
154 1 9 TYR HB2 1 14 VAL H . . 5.500 5.446 4.941 6.011 0.511 9 1 "[ . +1 . 2]" 1
155 1 9 TYR HB2 1 14 VAL QG . . 4.700 3.968 3.589 4.614 . 0 0 "[ . 1 . 2]" 1
156 1 9 TYR HB2 1 16 PRO QB . . 5.380 2.902 2.399 3.454 . 0 0 "[ . 1 . 2]" 1
157 1 9 TYR HB2 1 16 PRO HD3 . . 5.490 3.978 3.432 4.436 . 0 0 "[ . 1 . 2]" 1
158 1 9 TYR HB3 1 10 ASP H . . 3.980 3.385 3.137 3.718 . 0 0 "[ . 1 . 2]" 1
159 1 9 TYR HB3 1 14 VAL H . . 4.530 4.209 3.811 4.602 0.072 17 0 "[ . 1 . 2]" 1
160 1 9 TYR HB3 1 14 VAL QG . . 3.560 2.571 2.124 3.389 . 0 0 "[ . 1 . 2]" 1
161 1 9 TYR HB3 1 15 LYS H . . 5.500 5.014 4.552 5.507 0.007 9 0 "[ . 1 . 2]" 1
162 1 9 TYR HB3 1 15 LYS HA . . 4.690 4.142 3.838 4.459 . 0 0 "[ . 1 . 2]" 1
163 1 9 TYR HB3 1 16 PRO HA . . 4.430 2.511 2.282 2.945 . 0 0 "[ . 1 . 2]" 1
164 1 9 TYR HB3 1 16 PRO QB . . 5.090 3.635 3.087 4.187 . 0 0 "[ . 1 . 2]" 1
165 1 9 TYR HB3 1 16 PRO HD3 . . 5.180 3.864 3.248 4.513 . 0 0 "[ . 1 . 2]" 1
166 1 9 TYR HB3 1 56 LEU QD . . 5.500 4.838 4.432 5.165 . 0 0 "[ . 1 . 2]" 1
167 1 9 TYR QD 1 10 ASP H . . 4.270 4.439 4.315 4.541 0.271 10 0 "[ . 1 . 2]" 1
168 1 9 TYR QD 1 14 VAL HB . . 5.500 4.583 3.367 5.261 . 0 0 "[ . 1 . 2]" 1
169 1 9 TYR QD 1 14 VAL QG . . 2.620 2.206 1.969 2.459 . 0 0 "[ . 1 . 2]" 1
170 1 9 TYR QD 1 16 PRO HA . . 3.330 2.602 2.197 2.935 . 0 0 "[ . 1 . 2]" 1
171 1 9 TYR QD 1 16 PRO QB . . 3.390 2.795 2.273 3.254 . 0 0 "[ . 1 . 2]" 1
172 1 9 TYR QD 1 16 PRO QG . . 4.790 4.720 4.305 5.060 0.270 14 0 "[ . 1 . 2]" 1
173 1 9 TYR QD 1 23 LEU QD . . 3.320 2.444 2.158 2.782 . 0 0 "[ . 1 . 2]" 1
174 1 9 TYR QD 1 56 LEU QD . . 3.320 3.224 2.771 3.392 0.072 7 0 "[ . 1 . 2]" 1
175 1 9 TYR QE 1 14 VAL QG . . 3.750 3.691 3.512 3.816 0.066 20 0 "[ . 1 . 2]" 1
176 1 9 TYR QE 1 16 PRO HA . . 3.570 3.799 3.552 3.885 0.315 14 0 "[ . 1 . 2]" 1
177 1 9 TYR QE 1 16 PRO QB . . 3.740 4.038 3.615 4.440 0.700 14 6 "[** .- *1 +.* 2]" 1
178 1 9 TYR QE 1 18 ALA MB . . 3.950 2.742 2.145 3.897 . 0 0 "[ . 1 . 2]" 1
179 1 9 TYR QE 1 23 LEU QD . . 3.580 2.067 1.957 2.231 . 0 0 "[ . 1 . 2]" 1
180 1 9 TYR QE 1 56 LEU QD . . 3.500 2.924 2.175 3.279 . 0 0 "[ . 1 . 2]" 1
181 1 9 TYR QE 1 65 TYR QE . . 2.920 2.549 2.205 2.979 0.059 17 0 "[ . 1 . 2]" 1
182 1 10 ASP H 1 10 ASP HB2 . . 3.410 2.204 2.071 2.360 . 0 0 "[ . 1 . 2]" 1
183 1 10 ASP H 1 10 ASP HB3 . . 3.830 3.262 2.912 3.553 . 0 0 "[ . 1 . 2]" 1
184 1 10 ASP H 1 11 VAL H . . 3.610 2.618 2.437 2.832 . 0 0 "[ . 1 . 2]" 1
185 1 10 ASP HA 1 11 VAL HA . . 4.900 4.851 4.764 4.924 0.024 2 0 "[ . 1 . 2]" 1
186 1 10 ASP HA 1 12 LEU H . . 4.600 4.041 3.527 4.312 . 0 0 "[ . 1 . 2]" 1
187 1 10 ASP HA 1 13 GLY H . . 3.760 3.279 2.928 4.180 0.420 17 0 "[ . 1 . 2]" 1
188 1 10 ASP HA 1 13 GLY QA . . 4.930 3.549 3.065 4.620 . 0 0 "[ . 1 . 2]" 1
189 1 10 ASP HA 1 14 VAL H . . 4.550 3.054 2.526 3.742 . 0 0 "[ . 1 . 2]" 1
190 1 10 ASP HB2 1 11 VAL H . . 3.640 3.505 3.256 3.769 0.129 9 0 "[ . 1 . 2]" 1
191 1 10 ASP HB2 1 11 VAL HA . . 5.310 5.350 5.130 5.403 0.093 6 0 "[ . 1 . 2]" 1
192 1 10 ASP HB2 1 11 VAL QG . . 4.770 4.447 4.054 4.728 . 0 0 "[ . 1 . 2]" 1
193 1 10 ASP HB3 1 11 VAL H . . 3.910 3.279 2.460 3.852 . 0 0 "[ . 1 . 2]" 1
194 1 10 ASP HB3 1 11 VAL HA . . 4.780 4.223 3.846 4.694 . 0 0 "[ . 1 . 2]" 1
195 1 10 ASP HB3 1 11 VAL QG . . 5.500 4.000 3.178 4.611 . 0 0 "[ . 1 . 2]" 1
196 1 10 ASP HB3 1 13 GLY H . . 5.430 4.926 4.612 5.552 0.122 17 0 "[ . 1 . 2]" 1
197 1 11 VAL H 1 11 VAL HB . . 3.200 2.454 2.300 2.649 . 0 0 "[ . 1 . 2]" 1
198 1 11 VAL H 1 11 VAL QG . . 3.110 2.229 2.067 2.339 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL H 1 12 LEU H . . 3.470 2.686 2.537 2.863 . 0 0 "[ . 1 . 2]" 1
200 1 11 VAL H 1 12 LEU QD . . 5.080 4.539 3.522 4.865 . 0 0 "[ . 1 . 2]" 1
201 1 11 VAL H 1 12 LEU HG . . 5.270 4.737 4.395 5.418 0.148 18 0 "[ . 1 . 2]" 1
202 1 11 VAL H 1 14 VAL H . . 4.540 5.096 4.737 5.381 0.841 17 14 "[** .-***** **.*+**2]" 1
203 1 11 VAL H 1 52 ALA MB . . 5.000 4.341 4.067 4.591 . 0 0 "[ . 1 . 2]" 1
204 1 11 VAL HA 1 11 VAL QG . . 3.110 2.195 2.162 2.221 . 0 0 "[ . 1 . 2]" 1
205 1 11 VAL HA 1 12 LEU HA . . 4.610 4.704 4.682 4.712 0.102 11 0 "[ . 1 . 2]" 1
206 1 11 VAL HA 1 13 GLY H . . 4.660 3.715 3.540 3.962 . 0 0 "[ . 1 . 2]" 1
207 1 11 VAL HB 1 12 LEU H . . 3.540 2.644 2.450 3.022 . 0 0 "[ . 1 . 2]" 1
208 1 11 VAL HB 1 52 ALA MB . . 3.880 2.553 2.320 2.729 . 0 0 "[ . 1 . 2]" 1
209 1 11 VAL QG 1 12 LEU H . . 4.640 3.187 3.056 3.426 . 0 0 "[ . 1 . 2]" 1
210 1 11 VAL QG 1 12 LEU HA . . 3.990 3.442 3.167 3.656 . 0 0 "[ . 1 . 2]" 1
211 1 11 VAL QG 1 12 LEU QD . . 2.780 3.044 2.696 3.371 0.591 16 1 "[ . 1 .+ 2]" 1
212 1 11 VAL QG 1 12 LEU HG . . 2.870 2.841 2.435 2.931 0.061 2 0 "[ . 1 . 2]" 1
213 1 11 VAL QG 1 27 TYR QB . . 5.500 6.894 6.235 7.355 1.855 2 20 [*+***************-**] 1
214 1 11 VAL QG 1 48 GLN H . . 5.500 4.825 4.657 5.113 . 0 0 "[ . 1 . 2]" 1
215 1 11 VAL QG 1 48 GLN HA . . 5.500 3.698 3.390 4.051 . 0 0 "[ . 1 . 2]" 1
216 1 11 VAL QG 1 48 GLN HB3 . . 5.070 2.307 2.035 2.640 . 0 0 "[ . 1 . 2]" 1
217 1 11 VAL QG 1 48 GLN HE21 . . 5.500 3.412 2.464 4.672 . 0 0 "[ . 1 . 2]" 1
218 1 11 VAL QG 1 48 GLN HE22 . . 5.500 3.047 2.231 4.270 . 0 0 "[ . 1 . 2]" 1
219 1 11 VAL QG 1 48 GLN HG2 . . 4.930 4.292 3.905 4.779 . 0 0 "[ . 1 . 2]" 1
220 1 11 VAL QG 1 48 GLN HG3 . . 5.140 4.116 3.622 4.693 . 0 0 "[ . 1 . 2]" 1
221 1 11 VAL QG 1 49 ILE H . . 4.300 4.030 3.612 4.321 0.021 6 0 "[ . 1 . 2]" 1
222 1 11 VAL QG 1 49 ILE HA . . 3.090 2.713 2.070 3.164 0.074 8 0 "[ . 1 . 2]" 1
223 1 11 VAL QG 1 52 ALA H . . 4.640 3.671 3.361 4.077 . 0 0 "[ . 1 . 2]" 1
224 1 11 VAL QG 1 52 ALA MB . . 3.100 2.188 1.938 2.473 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU H 1 12 LEU QB . . 3.000 2.318 2.168 2.528 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU H 1 12 LEU QD . . 4.240 3.011 2.327 3.255 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU H 1 12 LEU HG . . 4.000 2.635 2.422 3.115 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU H 1 13 GLY H . . 3.130 2.721 2.356 2.897 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU H 1 13 GLY QA . . 4.720 4.514 4.153 4.700 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU H 1 14 VAL H . . 4.410 3.716 3.251 4.294 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU H 1 30 LEU QD . . 5.500 4.827 4.386 5.163 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU H 1 52 ALA MB . . 4.930 3.801 3.409 4.226 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU H 1 56 LEU QD . . 5.500 5.118 4.757 5.404 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU HA 1 12 LEU QD . . 3.010 2.320 2.078 2.949 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HA 1 26 ALA MB . . 5.020 4.710 4.243 5.105 0.085 2 0 "[ . 1 . 2]" 1
236 1 12 LEU HA 1 30 LEU QD . . 3.110 2.736 2.112 3.190 0.080 7 0 "[ . 1 . 2]" 1
237 1 12 LEU QB 1 13 GLY H . . 4.090 3.615 3.505 3.747 . 0 0 "[ . 1 . 2]" 1
238 1 12 LEU QB 1 14 VAL H . . 4.330 3.311 3.080 3.812 . 0 0 "[ . 1 . 2]" 1
239 1 12 LEU QB 1 14 VAL QG . . 3.300 2.230 2.070 2.799 . 0 0 "[ . 1 . 2]" 1
240 1 12 LEU QB 1 23 LEU QD . . 3.840 2.904 2.687 3.197 . 0 0 "[ . 1 . 2]" 1
241 1 12 LEU QB 1 26 ALA MB . . 3.150 3.130 2.370 3.739 0.589 1 1 "[+ . 1 . 2]" 1
242 1 12 LEU QB 1 27 TYR QB . . 4.970 4.464 3.850 4.759 . 0 0 "[ . 1 . 2]" 1
243 1 12 LEU QB 1 56 LEU QD . . 5.500 4.144 3.767 4.678 . 0 0 "[ . 1 . 2]" 1
244 1 12 LEU QD 1 13 GLY QA . . 5.500 5.096 4.956 5.234 . 0 0 "[ . 1 . 2]" 1
245 1 12 LEU QD 1 14 VAL QG . . 5.290 3.085 2.792 3.572 . 0 0 "[ . 1 . 2]" 1
246 1 12 LEU QD 1 26 ALA MB . . 4.120 3.605 2.892 3.957 . 0 0 "[ . 1 . 2]" 1
247 1 12 LEU QD 1 27 TYR H . . 4.610 3.948 2.944 4.491 . 0 0 "[ . 1 . 2]" 1
248 1 12 LEU QD 1 27 TYR HA . . 3.570 2.957 2.153 3.593 0.023 7 0 "[ . 1 . 2]" 1
249 1 12 LEU QD 1 27 TYR QB . . 4.090 2.924 2.314 3.348 . 0 0 "[ . 1 . 2]" 1
250 1 12 LEU QD 1 27 TYR QD . . 3.550 2.445 2.043 2.937 . 0 0 "[ . 1 . 2]" 1
251 1 12 LEU QD 1 49 ILE HA . . 4.230 2.696 2.111 3.633 . 0 0 "[ . 1 . 2]" 1
252 1 12 LEU QD 1 52 ALA MB . . 3.920 2.110 1.912 2.823 . 0 0 "[ . 1 . 2]" 1
253 1 12 LEU QD 1 53 TYR H . . 4.310 2.586 2.226 3.210 . 0 0 "[ . 1 . 2]" 1
254 1 12 LEU QD 1 53 TYR HB2 . . 3.870 2.219 2.061 2.520 . 0 0 "[ . 1 . 2]" 1
255 1 12 LEU QD 1 53 TYR HB3 . . 5.030 3.386 2.888 3.705 . 0 0 "[ . 1 . 2]" 1
256 1 12 LEU QD 1 53 TYR QR . . 5.500 2.625 2.123 3.179 . 0 0 "[ . 1 . 2]" 1
257 1 12 LEU QD 1 56 LEU QD . . 4.470 2.319 2.000 2.830 . 0 0 "[ . 1 . 2]" 1
258 1 12 LEU HG 1 52 ALA MB . . 3.920 2.446 2.026 3.270 . 0 0 "[ . 1 . 2]" 1
259 1 13 GLY H 1 14 VAL QG . . 5.140 4.004 3.662 4.431 . 0 0 "[ . 1 . 2]" 1
260 1 13 GLY QA 1 14 VAL H . . 3.420 2.880 2.739 2.970 . 0 0 "[ . 1 . 2]" 1
261 1 14 VAL H 1 14 VAL QG . . 3.050 2.295 2.044 2.612 . 0 0 "[ . 1 . 2]" 1
262 1 14 VAL H 1 15 LYS H . . 5.500 4.402 4.196 4.502 . 0 0 "[ . 1 . 2]" 1
263 1 14 VAL H 1 26 ALA MB . . 5.090 4.666 4.133 5.137 0.047 3 0 "[ . 1 . 2]" 1
264 1 14 VAL HA 1 14 VAL HB . . 3.020 2.487 2.321 2.609 . 0 0 "[ . 1 . 2]" 1
265 1 14 VAL HA 1 14 VAL QG . . 3.140 2.250 2.052 2.366 . 0 0 "[ . 1 . 2]" 1
266 1 14 VAL HA 1 15 LYS H . . 2.910 2.257 2.134 2.443 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL HA 1 18 ALA MB . . 5.100 4.297 3.868 4.906 . 0 0 "[ . 1 . 2]" 1
268 1 14 VAL HA 1 26 ALA MB . . 5.500 4.399 3.800 4.836 . 0 0 "[ . 1 . 2]" 1
269 1 14 VAL HB 1 26 ALA MB . . 5.020 3.515 2.208 4.409 . 0 0 "[ . 1 . 2]" 1
270 1 14 VAL QG 1 15 LYS H . . 3.850 2.993 2.001 3.490 . 0 0 "[ . 1 . 2]" 1
271 1 14 VAL QG 1 15 LYS HA . . 5.450 4.211 3.749 4.454 . 0 0 "[ . 1 . 2]" 1
272 1 14 VAL QG 1 16 PRO HA . . 4.810 4.106 3.651 4.484 . 0 0 "[ . 1 . 2]" 1
273 1 14 VAL QG 1 18 ALA H . . 4.560 3.946 3.358 4.384 . 0 0 "[ . 1 . 2]" 1
274 1 14 VAL QG 1 18 ALA MB . . 3.480 2.161 1.849 2.650 . 0 0 "[ . 1 . 2]" 1
275 1 14 VAL QG 1 22 GLU HB2 . . 5.500 3.914 3.554 4.429 . 0 0 "[ . 1 . 2]" 1
276 1 14 VAL QG 1 22 GLU HB3 . . 4.610 3.070 2.508 3.695 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL QG 1 22 GLU QG . . 5.500 4.491 4.008 4.871 . 0 0 "[ . 1 . 2]" 1
278 1 14 VAL QG 1 23 LEU HA . . 3.730 2.930 2.559 3.344 . 0 0 "[ . 1 . 2]" 1
279 1 14 VAL QG 1 26 ALA H . . 4.840 3.995 3.520 4.595 . 0 0 "[ . 1 . 2]" 1
280 1 14 VAL QG 1 26 ALA HA . . 5.090 4.167 3.679 4.948 . 0 0 "[ . 1 . 2]" 1
281 1 14 VAL QG 1 26 ALA MB . . 3.060 2.146 1.852 2.893 . 0 0 "[ . 1 . 2]" 1
282 1 15 LYS H 1 15 LYS QB . . 2.880 2.789 2.356 2.941 0.061 18 0 "[ . 1 . 2]" 1
283 1 15 LYS H 1 15 LYS QD . . 3.240 2.386 1.852 2.730 . 0 0 "[ . 1 . 2]" 1
284 1 15 LYS H 1 15 LYS HE2 . . 5.500 4.132 3.298 5.120 . 0 0 "[ . 1 . 2]" 1
285 1 15 LYS H 1 15 LYS HE3 . . 5.500 4.135 2.686 5.056 . 0 0 "[ . 1 . 2]" 1
286 1 15 LYS H 1 15 LYS HG2 . . 3.340 3.481 3.380 3.703 0.363 11 0 "[ . 1 . 2]" 1
287 1 15 LYS H 1 15 LYS HG3 . . 4.230 2.146 1.805 3.929 . 0 0 "[ . 1 . 2]" 1
288 1 15 LYS H 1 16 PRO HD2 . . 5.500 4.892 4.775 4.973 . 0 0 "[ . 1 . 2]" 1
289 1 15 LYS H 1 16 PRO HD3 . . 5.500 5.165 5.061 5.313 . 0 0 "[ . 1 . 2]" 1
290 1 15 LYS H 1 17 ASN H . . 5.190 4.813 4.464 5.282 0.092 7 0 "[ . 1 . 2]" 1
291 1 15 LYS H 1 18 ALA H . . 5.220 5.115 4.429 5.562 0.342 3 0 "[ . 1 . 2]" 1
292 1 15 LYS H 1 18 ALA MB . . 3.810 3.618 3.081 3.890 0.080 15 0 "[ . 1 . 2]" 1
293 1 15 LYS HA 1 15 LYS QD . . 3.820 3.734 3.635 3.880 0.060 14 0 "[ . 1 . 2]" 1
294 1 15 LYS HA 1 15 LYS HG2 . . 4.100 4.157 3.653 4.230 0.130 11 0 "[ . 1 . 2]" 1
295 1 15 LYS HA 1 15 LYS HG3 . . 4.160 3.723 3.559 4.229 0.069 6 0 "[ . 1 . 2]" 1
296 1 15 LYS HA 1 16 PRO HA . . 4.630 4.385 4.281 4.464 . 0 0 "[ . 1 . 2]" 1
297 1 15 LYS HA 1 16 PRO QB . . 5.020 4.645 4.538 4.739 . 0 0 "[ . 1 . 2]" 1
298 1 15 LYS HA 1 16 PRO HD2 . . 3.160 2.431 2.262 2.592 . 0 0 "[ . 1 . 2]" 1
299 1 15 LYS HA 1 16 PRO HD3 . . 2.800 2.483 2.347 2.620 . 0 0 "[ . 1 . 2]" 1
300 1 15 LYS HA 1 16 PRO QG . . 4.690 4.113 4.035 4.186 . 0 0 "[ . 1 . 2]" 1
301 1 15 LYS QB 1 16 PRO HD2 . . 4.780 2.315 2.146 2.645 . 0 0 "[ . 1 . 2]" 1
302 1 15 LYS QB 1 16 PRO HD3 . . 4.780 3.535 3.377 3.792 . 0 0 "[ . 1 . 2]" 1
303 1 15 LYS QB 1 16 PRO QG . . 4.040 3.707 3.452 3.901 . 0 0 "[ . 1 . 2]" 1
304 1 15 LYS QB 1 18 ALA H . . 5.410 4.573 3.939 5.035 . 0 0 "[ . 1 . 2]" 1
305 1 15 LYS QD 1 17 ASN H . . 3.590 2.572 2.192 3.371 . 0 0 "[ . 1 . 2]" 1
306 1 15 LYS QD 1 18 ALA H . . 4.560 2.905 2.480 3.529 . 0 0 "[ . 1 . 2]" 1
307 1 15 LYS QD 1 18 ALA HA . . 5.500 2.890 2.404 3.239 . 0 0 "[ . 1 . 2]" 1
308 1 15 LYS QD 1 18 ALA MB . . 2.990 2.319 2.040 2.973 . 0 0 "[ . 1 . 2]" 1
309 1 15 LYS HG2 1 16 PRO HD2 . . 5.260 4.647 3.474 5.124 . 0 0 "[ . 1 . 2]" 1
310 1 16 PRO HA 1 18 ALA H . . 3.900 3.459 3.227 3.888 . 0 0 "[ . 1 . 2]" 1
311 1 16 PRO QB 1 17 ASN H . . 4.490 3.738 3.472 3.885 . 0 0 "[ . 1 . 2]" 1
312 1 16 PRO HD2 1 17 ASN H . . 4.050 3.218 2.808 3.746 . 0 0 "[ . 1 . 2]" 1
313 1 16 PRO HD3 1 17 ASN H . . 4.810 4.150 3.905 4.362 . 0 0 "[ . 1 . 2]" 1
314 1 16 PRO QG 1 17 ASN H . . 5.500 3.223 2.714 3.671 . 0 0 "[ . 1 . 2]" 1
315 1 17 ASN H 1 17 ASN HB2 . . 3.970 2.644 2.246 3.877 . 0 0 "[ . 1 . 2]" 1
316 1 17 ASN H 1 17 ASN HB3 . . 3.560 3.230 2.267 3.852 0.292 14 0 "[ . 1 . 2]" 1
317 1 17 ASN H 1 18 ALA H . . 3.140 2.730 2.261 3.267 0.127 17 0 "[ . 1 . 2]" 1
318 1 17 ASN H 1 18 ALA HA . . 5.080 4.752 4.304 5.149 0.069 3 0 "[ . 1 . 2]" 1
319 1 17 ASN H 1 18 ALA MB . . 4.640 4.065 3.621 4.414 . 0 0 "[ . 1 . 2]" 1
320 1 17 ASN HA 1 17 ASN HB2 . . 3.010 2.810 2.414 3.051 0.041 17 0 "[ . 1 . 2]" 1
321 1 17 ASN HA 1 17 ASN HD22 . . 5.500 4.174 3.468 5.341 . 0 0 "[ . 1 . 2]" 1
322 1 17 ASN HA 1 18 ALA MB . . 5.500 4.692 4.501 4.846 . 0 0 "[ . 1 . 2]" 1
323 1 17 ASN HB2 1 17 ASN HD21 . . 3.660 2.987 2.264 3.659 . 0 0 "[ . 1 . 2]" 1
324 1 17 ASN HB2 1 18 ALA H . . 4.780 4.327 3.798 4.697 . 0 0 "[ . 1 . 2]" 1
325 1 18 ALA H 1 18 ALA MB . . 2.910 2.237 2.163 2.332 . 0 0 "[ . 1 . 2]" 1
326 1 18 ALA H 1 19 THR H . . 4.730 4.608 4.489 4.704 . 0 0 "[ . 1 . 2]" 1
327 1 18 ALA HA 1 19 THR H . . 2.650 2.324 2.137 2.530 . 0 0 "[ . 1 . 2]" 1
328 1 18 ALA HA 1 19 THR MG . . 4.100 3.875 3.335 4.190 0.090 12 0 "[ . 1 . 2]" 1
329 1 18 ALA HA 1 22 GLU HB2 . . 3.800 3.553 3.018 3.854 0.054 6 0 "[ . 1 . 2]" 1
330 1 18 ALA HA 1 22 GLU HB3 . . 4.540 4.091 3.337 4.573 0.033 6 0 "[ . 1 . 2]" 1
331 1 18 ALA HA 1 22 GLU QG . . 3.970 3.926 3.095 4.653 0.683 7 4 "[ . + 1* * - 2]" 1
332 1 18 ALA MB 1 19 THR H . . 3.550 2.577 2.059 3.025 . 0 0 "[ . 1 . 2]" 1
333 1 18 ALA MB 1 19 THR HA . . 4.610 4.212 3.879 4.415 . 0 0 "[ . 1 . 2]" 1
334 1 18 ALA MB 1 22 GLU H . . 4.740 4.380 4.071 4.771 0.031 10 0 "[ . 1 . 2]" 1
335 1 18 ALA MB 1 22 GLU HB2 . . 2.870 2.478 2.231 2.964 0.094 10 0 "[ . 1 . 2]" 1
336 1 18 ALA MB 1 22 GLU HB3 . . 3.540 2.818 2.370 3.446 . 0 0 "[ . 1 . 2]" 1
337 1 18 ALA MB 1 22 GLU QG . . 5.060 3.783 3.023 4.302 . 0 0 "[ . 1 . 2]" 1
338 1 18 ALA MB 1 23 LEU H . . 4.270 3.594 3.177 4.006 . 0 0 "[ . 1 . 2]" 1
339 1 18 ALA MB 1 23 LEU HA . . 4.830 4.100 3.625 4.562 . 0 0 "[ . 1 . 2]" 1
340 1 18 ALA MB 1 23 LEU QD . . 3.910 2.625 2.013 3.513 . 0 0 "[ . 1 . 2]" 1
341 1 19 THR H 1 19 THR MG . . 3.060 2.917 2.541 3.161 0.101 19 0 "[ . 1 . 2]" 1
342 1 19 THR H 1 21 GLU H . . 5.230 4.834 4.577 5.105 . 0 0 "[ . 1 . 2]" 1
343 1 19 THR H 1 22 GLU H . . 4.190 3.487 3.240 3.649 . 0 0 "[ . 1 . 2]" 1
344 1 19 THR H 1 22 GLU HB2 . . 3.050 2.120 1.742 2.393 . 0 0 "[ . 1 . 2]" 1
345 1 19 THR H 1 22 GLU HB3 . . 3.770 3.527 3.169 3.820 0.050 13 0 "[ . 1 . 2]" 1
346 1 19 THR H 1 22 GLU QG . . 4.370 2.885 2.043 3.276 . 0 0 "[ . 1 . 2]" 1
347 1 19 THR H 1 23 LEU H . . 4.880 4.213 3.491 4.911 0.031 18 0 "[ . 1 . 2]" 1
348 1 19 THR HA 1 19 THR HB . . 2.960 2.659 2.606 2.729 . 0 0 "[ . 1 . 2]" 1
349 1 19 THR HA 1 19 THR MG . . 3.130 2.232 2.162 2.307 . 0 0 "[ . 1 . 2]" 1
350 1 19 THR HA 1 20 GLN H . . 2.950 2.459 2.290 2.597 . 0 0 "[ . 1 . 2]" 1
351 1 19 THR HA 1 20 GLN HA . . 4.730 4.361 4.227 4.513 . 0 0 "[ . 1 . 2]" 1
352 1 19 THR HA 1 21 GLU H . . 4.540 4.323 4.012 4.573 0.033 19 0 "[ . 1 . 2]" 1
353 1 19 THR HA 1 22 GLU HB2 . . 4.430 4.460 4.315 4.516 0.086 20 0 "[ . 1 . 2]" 1
354 1 19 THR HB 1 20 GLN H . . 3.130 2.580 2.271 2.832 . 0 0 "[ . 1 . 2]" 1
355 1 19 THR HB 1 21 GLU H . . 3.480 2.649 2.172 3.097 . 0 0 "[ . 1 . 2]" 1
356 1 19 THR HB 1 22 GLU H . . 4.500 3.366 3.032 3.746 . 0 0 "[ . 1 . 2]" 1
357 1 19 THR HB 1 22 GLU HB2 . . 4.310 4.288 4.002 4.394 0.084 5 0 "[ . 1 . 2]" 1
358 1 19 THR HB 1 22 GLU QG . . 3.950 3.884 3.733 3.984 0.034 3 0 "[ . 1 . 2]" 1
359 1 19 THR MG 1 20 GLN H . . 4.280 3.404 3.229 3.560 . 0 0 "[ . 1 . 2]" 1
360 1 19 THR MG 1 21 GLU H . . 5.160 4.304 3.894 4.638 . 0 0 "[ . 1 . 2]" 1
361 1 19 THR MG 1 21 GLU HB2 . . 5.460 4.828 4.305 6.250 0.790 10 2 "[ . + . -2]" 1
362 1 19 THR MG 1 22 GLU H . . 4.960 4.516 4.050 4.737 . 0 0 "[ . 1 . 2]" 1
363 1 19 THR MG 1 22 GLU HB2 . . 5.140 4.455 4.112 4.625 . 0 0 "[ . 1 . 2]" 1
364 1 19 THR MG 1 22 GLU QG . . 4.430 3.876 3.399 4.174 . 0 0 "[ . 1 . 2]" 1
365 1 20 GLN H 1 20 GLN HB2 . . 2.980 2.599 2.314 3.085 0.105 13 0 "[ . 1 . 2]" 1
366 1 20 GLN H 1 20 GLN QB . . 3.440 2.537 2.284 2.915 . 0 0 "[ . 1 . 2]" 1
367 1 20 GLN H 1 20 GLN HG2 . . 3.620 2.188 1.916 2.491 . 0 0 "[ . 1 . 2]" 1
368 1 20 GLN H 1 20 GLN HG3 . . 4.030 3.306 2.614 3.659 . 0 0 "[ . 1 . 2]" 1
369 1 20 GLN H 1 21 GLU H . . 3.440 2.749 2.469 3.015 . 0 0 "[ . 1 . 2]" 1
370 1 20 GLN H 1 22 GLU H . . 5.170 4.280 3.926 4.542 . 0 0 "[ . 1 . 2]" 1
371 1 20 GLN H 1 23 LEU QD . . 5.500 4.109 3.540 4.536 . 0 0 "[ . 1 . 2]" 1
372 1 20 GLN HA 1 20 GLN QB . . 2.760 2.356 2.186 2.475 . 0 0 "[ . 1 . 2]" 1
373 1 20 GLN HA 1 20 GLN QE . . 3.720 2.619 1.704 3.534 . 0 0 "[ . 1 . 2]" 1
374 1 20 GLN HA 1 20 GLN HG2 . . 4.110 3.030 2.551 3.855 . 0 0 "[ . 1 . 2]" 1
375 1 20 GLN HA 1 20 GLN HG3 . . 3.860 3.835 3.719 3.941 0.081 7 0 "[ . 1 . 2]" 1
376 1 20 GLN HA 1 23 LEU H . . 4.000 3.617 3.183 4.055 0.055 18 0 "[ . 1 . 2]" 1
377 1 20 GLN HA 1 23 LEU HB2 . . 3.960 2.743 2.287 3.806 . 0 0 "[ . 1 . 2]" 1
378 1 20 GLN HA 1 23 LEU QD . . 3.200 2.572 2.052 3.190 . 0 0 "[ . 1 . 2]" 1
379 1 20 GLN QB 1 21 GLU H . . 3.870 2.704 2.335 2.968 . 0 0 "[ . 1 . 2]" 1
380 1 20 GLN HB3 1 20 GLN QE . . 4.440 3.008 2.007 4.150 . 0 0 "[ . 1 . 2]" 1
381 1 20 GLN QE 1 23 LEU QD . . 4.990 3.379 2.261 4.272 . 0 0 "[ . 1 . 2]" 1
382 1 20 GLN QE 1 62 ARG QD . . 5.500 2.646 2.194 4.010 . 0 0 "[ . 1 . 2]" 1
383 1 20 GLN HG2 1 21 GLU H . . 5.440 4.367 3.685 4.737 . 0 0 "[ . 1 . 2]" 1
384 1 20 GLN HG2 1 23 LEU QD . . 5.500 4.506 3.640 5.470 . 0 0 "[ . 1 . 2]" 1
385 1 21 GLU H 1 21 GLU HB2 . . 3.320 2.563 2.107 3.466 0.146 19 0 "[ . 1 . 2]" 1
386 1 21 GLU H 1 21 GLU HB3 . . 3.510 3.468 2.718 3.583 0.073 9 0 "[ . 1 . 2]" 1
387 1 21 GLU H 1 21 GLU HG2 . . 3.850 2.992 1.687 3.689 . 0 0 "[ . 1 . 2]" 1
388 1 21 GLU H 1 22 GLU H . . 3.310 2.549 2.329 2.773 . 0 0 "[ . 1 . 2]" 1
389 1 21 GLU HA 1 21 GLU HG2 . . 3.430 2.577 2.169 3.771 0.341 8 0 "[ . 1 . 2]" 1
390 1 21 GLU HB2 1 22 GLU H . . 3.250 2.739 2.170 3.352 0.102 10 0 "[ . 1 . 2]" 1
391 1 21 GLU HB3 1 21 GLU HG2 . . 2.470 2.530 2.290 3.048 0.578 7 1 "[ . + 1 . 2]" 1
392 1 21 GLU HB3 1 22 GLU H . . 4.010 3.730 3.188 4.064 0.054 9 0 "[ . 1 . 2]" 1
393 1 21 GLU HG2 1 22 GLU H . . 4.790 4.625 3.123 4.879 0.089 18 0 "[ . 1 . 2]" 1
394 1 22 GLU H 1 22 GLU HB2 . . 2.850 2.324 2.244 2.386 . 0 0 "[ . 1 . 2]" 1
395 1 22 GLU H 1 22 GLU HB3 . . 3.850 3.554 3.452 3.650 . 0 0 "[ . 1 . 2]" 1
396 1 22 GLU H 1 22 GLU QG . . 3.890 2.461 2.085 2.806 . 0 0 "[ . 1 . 2]" 1
397 1 22 GLU H 1 23 LEU H . . 3.240 2.657 2.365 2.799 . 0 0 "[ . 1 . 2]" 1
398 1 22 GLU HA 1 22 GLU QG . . 3.420 2.531 2.202 2.882 . 0 0 "[ . 1 . 2]" 1
399 1 22 GLU HB2 1 23 LEU H . . 3.460 2.761 2.476 3.224 . 0 0 "[ . 1 . 2]" 1
400 1 22 GLU HB2 1 23 LEU QD . . 5.280 3.808 3.050 4.841 . 0 0 "[ . 1 . 2]" 1
401 1 22 GLU HB3 1 23 LEU H . . 3.770 3.581 3.288 3.802 0.032 18 0 "[ . 1 . 2]" 1
402 1 22 GLU QG 1 23 LEU H . . 5.190 4.260 3.998 4.561 . 0 0 "[ . 1 . 2]" 1
403 1 23 LEU H 1 23 LEU HB2 . . 3.720 2.219 1.990 2.310 . 0 0 "[ . 1 . 2]" 1
404 1 23 LEU H 1 23 LEU HB3 . . 3.140 3.495 3.240 3.550 0.410 2 0 "[ . 1 . 2]" 1
405 1 23 LEU H 1 23 LEU QD . . 3.800 2.671 2.182 3.359 . 0 0 "[ . 1 . 2]" 1
406 1 23 LEU H 1 23 LEU HG . . 3.170 3.456 2.519 3.962 0.792 4 12 "[* +. **1** ** *-**]" 1
407 1 23 LEU H 1 24 LYS H . . 3.270 2.972 2.766 3.106 . 0 0 "[ . 1 . 2]" 1
408 1 23 LEU H 1 25 LYS H . . 5.070 4.417 4.105 4.677 . 0 0 "[ . 1 . 2]" 1
409 1 23 LEU H 1 53 TYR QR . . 5.360 5.055 4.611 5.522 0.162 2 0 "[ . 1 . 2]" 1
410 1 23 LEU HA 1 23 LEU HB2 . . 2.980 3.018 2.999 3.040 0.060 5 0 "[ . 1 . 2]" 1
411 1 23 LEU HA 1 23 LEU QD . . 3.100 2.058 1.943 2.296 . 0 0 "[ . 1 . 2]" 1
412 1 23 LEU HA 1 23 LEU HG . . 3.800 3.277 2.549 3.755 . 0 0 "[ . 1 . 2]" 1
413 1 23 LEU HA 1 26 ALA MB . . 3.460 2.735 2.406 3.268 . 0 0 "[ . 1 . 2]" 1
414 1 23 LEU HA 1 53 TYR QR . . 4.650 3.904 3.617 4.282 . 0 0 "[ . 1 . 2]" 1
415 1 23 LEU HB2 1 24 LYS H . . 3.940 2.630 2.257 2.794 . 0 0 "[ . 1 . 2]" 1
416 1 23 LEU HB2 1 53 TYR QR . . 3.130 3.610 3.308 4.056 0.926 7 7 "[ * . +- * * .* *2]" 1
417 1 23 LEU HB3 1 23 LEU QD . . 3.240 2.237 2.072 2.437 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU HB3 1 24 LYS H . . 3.310 3.018 2.567 3.355 0.045 10 0 "[ . 1 . 2]" 1
419 1 23 LEU HB3 1 24 LYS HA . . 3.850 3.948 3.702 4.062 0.212 20 0 "[ . 1 . 2]" 1
420 1 23 LEU HB3 1 53 TYR QR . . 3.970 2.345 2.069 2.811 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU QD 1 24 LYS H . . 5.010 3.976 3.812 4.136 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU QD 1 27 TYR H . . 5.030 4.476 3.943 4.836 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU QD 1 27 TYR QB . . 5.060 4.055 3.564 4.507 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU QD 1 53 TYR HA . . 3.750 3.213 2.599 3.752 0.002 18 0 "[ . 1 . 2]" 1
425 1 23 LEU QD 1 53 TYR QR . . 2.880 2.578 2.240 3.018 0.138 10 0 "[ . 1 . 2]" 1
426 1 23 LEU QD 1 56 LEU QB . . 3.860 2.394 1.821 3.135 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU QD 1 56 LEU QD . . 3.350 2.009 1.781 2.659 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU QD 1 56 LEU HG . . 5.500 3.549 2.035 4.275 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU QD 1 57 SER QB . . 5.500 5.495 4.538 6.584 1.084 15 3 "[ - . 1 + * 2]" 1
430 1 23 LEU QD 1 62 ARG QD . . 5.060 4.045 3.211 4.583 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU QD 1 62 ARG HE . . 5.500 4.620 3.036 5.460 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU HG 1 56 LEU QD . . 5.340 3.365 2.249 4.540 . 0 0 "[ . 1 . 2]" 1
433 1 24 LYS H 1 24 LYS QB . . 2.800 2.392 2.092 2.844 0.044 17 0 "[ . 1 . 2]" 1
434 1 24 LYS H 1 24 LYS QG . . 4.330 3.193 1.938 4.082 . 0 0 "[ . 1 . 2]" 1
435 1 24 LYS H 1 53 TYR QR . . 4.220 3.366 2.993 3.689 . 0 0 "[ . 1 . 2]" 1
436 1 24 LYS HA 1 24 LYS QG . . 3.610 2.775 2.154 3.509 . 0 0 "[ . 1 . 2]" 1
437 1 24 LYS HA 1 27 TYR H . . 3.820 3.566 3.324 3.863 0.043 15 0 "[ . 1 . 2]" 1
438 1 24 LYS HA 1 27 TYR QB . . 3.450 2.633 2.138 3.256 . 0 0 "[ . 1 . 2]" 1
439 1 24 LYS HA 1 53 TYR QR . . 3.120 2.457 2.070 2.750 . 0 0 "[ . 1 . 2]" 1
440 1 24 LYS QB 1 25 LYS H . . 3.150 2.931 2.389 3.314 0.164 13 0 "[ . 1 . 2]" 1
441 1 24 LYS QB 1 53 TYR QR . . 4.470 3.261 2.319 4.011 . 0 0 "[ . 1 . 2]" 1
442 1 24 LYS QG 1 53 TYR QR . . 4.990 3.889 2.537 5.085 0.095 13 0 "[ . 1 . 2]" 1
443 1 25 LYS H 1 25 LYS QB . . 2.840 2.399 1.809 2.555 . 0 0 "[ . 1 . 2]" 1
444 1 25 LYS H 1 25 LYS QG . . 3.360 2.633 2.253 3.308 . 0 0 "[ . 1 . 2]" 1
445 1 25 LYS H 1 53 TYR QR . . 5.500 5.179 4.912 5.488 . 0 0 "[ . 1 . 2]" 1
446 1 25 LYS HA 1 25 LYS QD . . 3.450 3.633 2.513 3.818 0.368 19 0 "[ . 1 . 2]" 1
447 1 25 LYS HA 1 25 LYS QG . . 3.490 2.307 2.111 2.678 . 0 0 "[ . 1 . 2]" 1
448 1 25 LYS HA 1 28 ARG H . . 4.180 3.863 3.577 4.245 0.065 15 0 "[ . 1 . 2]" 1
449 1 25 LYS HA 1 28 ARG HB2 . . 3.830 3.214 2.832 3.899 0.069 8 0 "[ . 1 . 2]" 1
450 1 25 LYS HA 1 28 ARG HB3 . . 4.540 4.539 3.943 4.624 0.084 11 0 "[ . 1 . 2]" 1
451 1 25 LYS HA 1 28 ARG QD . . 4.530 4.567 2.713 6.387 1.857 1 8 "[+* .*** 1 * * - 2]" 1
452 1 25 LYS HA 1 28 ARG QG . . 4.940 4.100 2.951 5.219 0.279 5 0 "[ . 1 . 2]" 1
453 1 25 LYS QB 1 25 LYS QD . . 2.650 2.133 2.036 2.387 . 0 0 "[ . 1 . 2]" 1
454 1 25 LYS QB 1 26 ALA MB . . 3.960 3.904 3.740 4.064 0.104 19 0 "[ . 1 . 2]" 1
455 1 25 LYS QD 1 29 LYS H . . 5.360 6.951 5.832 7.970 2.610 20 19 "[*****-********** **+]" 1
456 1 26 ALA H 1 26 ALA MB . . 2.980 2.222 2.164 2.262 . 0 0 "[ . 1 . 2]" 1
457 1 26 ALA H 1 27 TYR H . . 3.230 2.712 2.447 2.927 . 0 0 "[ . 1 . 2]" 1
458 1 26 ALA H 1 53 TYR QR . . 5.500 5.417 5.033 5.605 0.105 1 0 "[ . 1 . 2]" 1
459 1 26 ALA HA 1 28 ARG H . . 4.820 4.690 4.483 4.880 0.060 8 0 "[ . 1 . 2]" 1
460 1 26 ALA HA 1 29 LYS H . . 4.010 3.708 3.379 4.150 0.140 13 0 "[ . 1 . 2]" 1
461 1 26 ALA HA 1 29 LYS QB . . 3.890 3.761 2.766 4.927 1.037 6 6 "[ -* .+ * 1 * .* 2]" 1
462 1 26 ALA HA 1 29 LYS HD3 . . 3.380 2.389 2.092 3.775 0.395 2 0 "[ . 1 . 2]" 1
463 1 26 ALA HA 1 29 LYS QE . . 4.670 3.795 2.102 4.441 . 0 0 "[ . 1 . 2]" 1
464 1 26 ALA HA 1 30 LEU H . . 5.040 4.503 3.954 4.952 . 0 0 "[ . 1 . 2]" 1
465 1 26 ALA MB 1 27 TYR H . . 3.390 2.483 2.192 2.691 . 0 0 "[ . 1 . 2]" 1
466 1 26 ALA MB 1 27 TYR QB . . 5.500 3.863 3.624 4.057 . 0 0 "[ . 1 . 2]" 1
467 1 26 ALA MB 1 27 TYR QD . . 5.500 5.244 5.082 5.456 . 0 0 "[ . 1 . 2]" 1
468 1 26 ALA MB 1 29 LYS H . . 5.490 4.744 4.446 5.124 . 0 0 "[ . 1 . 2]" 1
469 1 26 ALA MB 1 53 TYR QR . . 5.440 4.709 4.113 5.239 . 0 0 "[ . 1 . 2]" 1
470 1 27 TYR H 1 27 TYR QB . . 3.030 2.242 2.176 2.300 . 0 0 "[ . 1 . 2]" 1
471 1 27 TYR H 1 27 TYR QD . . 4.100 4.174 4.111 4.195 0.095 14 0 "[ . 1 . 2]" 1
472 1 27 TYR H 1 27 TYR QR . . 4.040 4.114 4.056 4.132 0.092 14 0 "[ . 1 . 2]" 1
473 1 27 TYR H 1 28 ARG H . . 3.200 2.950 2.748 3.102 . 0 0 "[ . 1 . 2]" 1
474 1 27 TYR H 1 28 ARG HB2 . . 5.500 4.804 4.501 5.104 . 0 0 "[ . 1 . 2]" 1
475 1 27 TYR H 1 29 LYS H . . 5.030 4.411 4.162 4.826 . 0 0 "[ . 1 . 2]" 1
476 1 27 TYR H 1 29 LYS HD3 . . 5.500 5.625 5.322 6.369 0.869 2 2 "[ + . 1 .- 2]" 1
477 1 27 TYR HA 1 27 TYR QD . . 3.290 2.684 2.264 3.048 . 0 0 "[ . 1 . 2]" 1
478 1 27 TYR HA 1 27 TYR QR . . 3.290 2.665 2.258 3.011 . 0 0 "[ . 1 . 2]" 1
479 1 27 TYR HA 1 29 LYS H . . 5.120 4.443 3.769 4.895 . 0 0 "[ . 1 . 2]" 1
480 1 27 TYR HA 1 30 LEU H . . 3.890 3.658 3.464 4.015 0.125 11 0 "[ . 1 . 2]" 1
481 1 27 TYR HA 1 30 LEU HB2 . . 3.590 3.064 2.457 3.591 0.001 10 0 "[ . 1 . 2]" 1
482 1 27 TYR HA 1 30 LEU QD . . 4.200 3.366 2.543 3.973 . 0 0 "[ . 1 . 2]" 1
483 1 27 TYR HA 1 31 ALA H . . 4.630 3.858 3.569 4.309 . 0 0 "[ . 1 . 2]" 1
484 1 27 TYR QB 1 28 ARG H . . 3.420 2.449 2.273 2.699 . 0 0 "[ . 1 . 2]" 1
485 1 27 TYR QR 1 28 ARG H . . 3.410 3.150 2.803 3.454 0.044 11 0 "[ . 1 . 2]" 1
486 1 27 TYR QR 1 28 ARG HA . . 3.480 3.225 2.651 3.685 0.205 20 0 "[ . 1 . 2]" 1
487 1 27 TYR QR 1 28 ARG QG . . 3.750 3.163 2.623 3.794 0.044 1 0 "[ . 1 . 2]" 1
488 1 27 TYR QR 1 29 LYS H . . 5.500 5.240 4.764 5.435 . 0 0 "[ . 1 . 2]" 1
489 1 27 TYR QR 1 30 LEU H . . 5.500 5.144 4.924 5.370 . 0 0 "[ . 1 . 2]" 1
490 1 27 TYR QR 1 31 ALA H . . 5.020 4.226 3.979 4.553 . 0 0 "[ . 1 . 2]" 1
491 1 27 TYR QR 1 49 ILE H . . 5.500 5.192 4.849 5.479 . 0 0 "[ . 1 . 2]" 1
492 1 27 TYR QR 1 49 ILE MG . . 2.620 1.978 1.884 2.119 . 0 0 "[ . 1 . 2]" 1
493 1 27 TYR QR 1 50 SER H . . 4.680 3.821 3.408 4.273 . 0 0 "[ . 1 . 2]" 1
494 1 27 TYR QR 1 50 SER HA . . 3.170 2.968 2.206 3.779 0.609 14 1 "[ . 1 +. 2]" 1
495 1 27 TYR QD 1 28 ARG H . . 4.020 3.175 2.818 3.491 . 0 0 "[ . 1 . 2]" 1
496 1 27 TYR QD 1 28 ARG HA . . 4.030 3.322 2.691 3.840 . 0 0 "[ . 1 . 2]" 1
497 1 27 TYR QD 1 28 ARG HB2 . . 5.500 4.563 3.909 5.253 . 0 0 "[ . 1 . 2]" 1
498 1 27 TYR QD 1 28 ARG QG . . 4.680 3.249 2.666 3.931 . 0 0 "[ . 1 . 2]" 1
499 1 27 TYR QD 1 29 LYS H . . 5.500 5.413 4.893 5.595 0.095 12 0 "[ . 1 . 2]" 1
500 1 27 TYR QD 1 30 LEU H . . 5.500 5.375 5.158 5.579 0.079 7 0 "[ . 1 . 2]" 1
501 1 27 TYR QD 1 30 LEU QD . . 5.370 4.741 3.860 5.272 . 0 0 "[ . 1 . 2]" 1
502 1 27 TYR QD 1 31 ALA H . . 5.100 4.562 4.307 4.825 . 0 0 "[ . 1 . 2]" 1
503 1 27 TYR QD 1 49 ILE HA . . 5.140 4.682 4.475 5.071 . 0 0 "[ . 1 . 2]" 1
504 1 27 TYR QD 1 49 ILE MG . . 3.240 2.143 1.996 2.224 . 0 0 "[ . 1 . 2]" 1
505 1 27 TYR QE 1 31 ALA MB . . 3.880 3.162 2.690 3.987 0.107 1 0 "[ . 1 . 2]" 1
506 1 27 TYR QE 1 49 ILE HA . . 5.080 4.604 4.182 5.150 0.070 19 0 "[ . 1 . 2]" 1
507 1 27 TYR QE 1 49 ILE HB . . 4.360 3.059 2.732 3.344 . 0 0 "[ . 1 . 2]" 1
508 1 27 TYR QE 1 49 ILE MD . . 4.080 4.170 4.091 4.201 0.121 13 0 "[ . 1 . 2]" 1
509 1 27 TYR QE 1 49 ILE HG13 . . 5.500 5.415 5.181 5.570 0.070 18 0 "[ . 1 . 2]" 1
510 1 27 TYR QE 1 49 ILE MG . . 3.200 2.346 2.119 2.725 . 0 0 "[ . 1 . 2]" 1
511 1 27 TYR QE 1 50 SER H . . 4.750 3.892 3.449 4.402 . 0 0 "[ . 1 . 2]" 1
512 1 27 TYR QE 1 50 SER HA . . 3.400 3.013 2.214 3.916 0.516 14 1 "[ . 1 +. 2]" 1
513 1 28 ARG H 1 28 ARG HB2 . . 3.350 2.216 1.961 2.478 . 0 0 "[ . 1 . 2]" 1
514 1 28 ARG H 1 28 ARG HB3 . . 3.490 3.417 3.007 3.566 0.076 16 0 "[ . 1 . 2]" 1
515 1 28 ARG H 1 28 ARG QD . . 4.660 4.174 2.243 4.672 0.012 15 0 "[ . 1 . 2]" 1
516 1 28 ARG H 1 28 ARG QG . . 3.900 2.854 2.265 3.517 . 0 0 "[ . 1 . 2]" 1
517 1 28 ARG H 1 29 LYS H . . 3.340 2.963 2.836 3.147 . 0 0 "[ . 1 . 2]" 1
518 1 28 ARG H 1 30 LEU H . . 5.500 4.431 4.138 4.869 . 0 0 "[ . 1 . 2]" 1
519 1 28 ARG H 1 31 ALA MB . . 5.450 4.605 4.238 5.082 . 0 0 "[ . 1 . 2]" 1
520 1 28 ARG HA 1 28 ARG QD . . 4.240 3.385 2.286 3.995 . 0 0 "[ . 1 . 2]" 1
521 1 28 ARG HA 1 28 ARG QG . . 3.000 2.267 2.091 2.497 . 0 0 "[ . 1 . 2]" 1
522 1 28 ARG HA 1 30 LEU H . . 5.280 4.492 3.885 5.081 . 0 0 "[ . 1 . 2]" 1
523 1 28 ARG HA 1 31 ALA H . . 3.910 3.717 3.438 3.972 0.062 7 0 "[ . 1 . 2]" 1
524 1 28 ARG HA 1 31 ALA MB . . 3.380 2.735 2.168 3.375 . 0 0 "[ . 1 . 2]" 1
525 1 28 ARG HA 1 32 LEU H . . 4.600 4.096 3.781 4.659 0.059 20 0 "[ . 1 . 2]" 1
526 1 28 ARG HA 1 32 LEU QD . . 5.500 3.594 2.861 4.279 . 0 0 "[ . 1 . 2]" 1
527 1 28 ARG HB2 1 28 ARG QD . . 3.760 2.860 2.276 3.397 . 0 0 "[ . 1 . 2]" 1
528 1 28 ARG HB2 1 29 LYS H . . 3.880 3.038 2.354 3.593 . 0 0 "[ . 1 . 2]" 1
529 1 28 ARG HB3 1 29 LYS H . . 4.090 3.267 2.485 4.149 0.059 10 0 "[ . 1 . 2]" 1
530 1 28 ARG HB3 1 31 ALA MB . . 5.250 4.880 4.307 5.728 0.478 6 0 "[ . 1 . 2]" 1
531 1 28 ARG QD 1 29 LYS H . . 5.500 4.818 3.929 5.584 0.084 10 0 "[ . 1 . 2]" 1
532 1 28 ARG QD 1 31 ALA MB . . 5.500 4.917 3.639 5.622 0.122 20 0 "[ . 1 . 2]" 1
533 1 28 ARG QD 1 32 LEU QD . . 5.170 3.489 1.919 4.934 . 0 0 "[ . 1 . 2]" 1
534 1 28 ARG QG 1 29 LYS H . . 5.230 4.418 4.083 4.608 . 0 0 "[ . 1 . 2]" 1
535 1 29 LYS H 1 29 LYS QB . . 2.730 2.552 2.187 2.835 0.105 12 0 "[ . 1 . 2]" 1
536 1 29 LYS H 1 29 LYS QE . . 4.870 4.727 3.699 4.955 0.085 8 0 "[ . 1 . 2]" 1
537 1 29 LYS H 1 29 LYS QG . . 3.920 2.164 1.791 2.899 . 0 0 "[ . 1 . 2]" 1
538 1 29 LYS H 1 30 LEU H . . 3.320 2.638 2.280 2.879 . 0 0 "[ . 1 . 2]" 1
539 1 29 LYS H 1 31 ALA H . . 4.730 4.176 3.540 4.596 . 0 0 "[ . 1 . 2]" 1
540 1 29 LYS H 1 31 ALA MB . . 5.500 4.799 4.225 5.315 . 0 0 "[ . 1 . 2]" 1
541 1 29 LYS H 1 32 LEU H . . 5.350 4.970 4.626 5.475 0.125 12 0 "[ . 1 . 2]" 1
542 1 29 LYS HA 1 29 LYS QB . . 2.590 2.268 2.121 2.437 . 0 0 "[ . 1 . 2]" 1
543 1 29 LYS HA 1 29 LYS QE . . 4.630 4.672 3.910 5.669 1.039 14 5 "[ * .* - 1 +. * 2]" 1
544 1 29 LYS HA 1 30 LEU QD . . 5.150 4.896 4.281 5.258 0.108 3 0 "[ . 1 . 2]" 1
545 1 29 LYS HA 1 32 LEU H . . 4.150 3.833 3.511 4.230 0.080 12 0 "[ . 1 . 2]" 1
546 1 29 LYS HA 1 32 LEU QD . . 3.890 3.198 2.586 3.656 . 0 0 "[ . 1 . 2]" 1
547 1 29 LYS QB 1 29 LYS QE . . 4.210 2.597 2.006 3.740 . 0 0 "[ . 1 . 2]" 1
548 1 29 LYS HD2 1 29 LYS QG . . 2.770 2.273 2.116 2.548 . 0 0 "[ . 1 . 2]" 1
549 1 29 LYS HD3 1 30 LEU QD . . 5.440 4.240 2.933 5.238 . 0 0 "[ . 1 . 2]" 1
550 1 29 LYS QE 1 30 LEU QD . . 5.330 3.687 2.357 4.860 . 0 0 "[ . 1 . 2]" 1
551 1 29 LYS QG 1 30 LEU H . . 3.780 3.344 2.259 3.954 0.174 11 0 "[ . 1 . 2]" 1
552 1 29 LYS QG 1 30 LEU QD . . 3.470 3.845 2.045 5.161 1.691 5 10 "[** *+ * *** . - *]" 1
553 1 30 LEU H 1 30 LEU HB2 . . 2.640 2.384 2.078 2.524 . 0 0 "[ . 1 . 2]" 1
554 1 30 LEU H 1 30 LEU HB3 . . 3.870 3.607 3.288 3.697 . 0 0 "[ . 1 . 2]" 1
555 1 30 LEU H 1 30 LEU QD . . 3.710 2.972 2.082 3.502 . 0 0 "[ . 1 . 2]" 1
556 1 30 LEU H 1 31 ALA H . . 3.180 2.574 2.134 2.814 . 0 0 "[ . 1 . 2]" 1
557 1 30 LEU H 1 31 ALA MB . . 4.400 4.192 3.701 4.438 0.038 18 0 "[ . 1 . 2]" 1
558 1 30 LEU H 1 32 LEU H . . 5.120 4.197 3.564 4.607 . 0 0 "[ . 1 . 2]" 1
559 1 30 LEU H 1 33 LYS QB . . 5.060 4.697 4.523 4.938 . 0 0 "[ . 1 . 2]" 1
560 1 30 LEU H 1 49 ILE MD . . 5.500 5.029 4.575 5.570 0.070 11 0 "[ . 1 . 2]" 1
561 1 30 LEU HA 1 30 LEU HB2 . . 2.920 2.996 2.963 3.002 0.082 15 0 "[ . 1 . 2]" 1
562 1 30 LEU HA 1 30 LEU HB3 . . 3.010 2.543 2.469 2.824 . 0 0 "[ . 1 . 2]" 1
563 1 30 LEU HA 1 30 LEU QD . . 2.890 2.055 1.971 2.091 . 0 0 "[ . 1 . 2]" 1
564 1 30 LEU HA 1 33 LYS QB . . 3.520 2.305 2.138 2.512 . 0 0 "[ . 1 . 2]" 1
565 1 30 LEU HA 1 34 TYR QE . . 3.930 3.831 3.061 4.129 0.199 10 0 "[ . 1 . 2]" 1
566 1 30 LEU HB2 1 30 LEU QD . . 2.420 2.269 2.148 2.362 . 0 0 "[ . 1 . 2]" 1
567 1 30 LEU HB2 1 31 ALA H . . 3.410 2.842 2.610 3.128 . 0 0 "[ . 1 . 2]" 1
568 1 30 LEU HB2 1 33 LYS H . . 5.500 5.326 5.202 5.514 0.014 15 0 "[ . 1 . 2]" 1
569 1 30 LEU HB2 1 34 TYR QD . . 5.330 4.087 3.766 4.529 . 0 0 "[ . 1 . 2]" 1
570 1 30 LEU HB2 1 49 ILE MD . . 3.850 3.299 3.008 3.716 . 0 0 "[ . 1 . 2]" 1
571 1 30 LEU HB2 1 49 ILE MG . . 3.760 3.083 2.585 3.455 . 0 0 "[ . 1 . 2]" 1
572 1 30 LEU HB3 1 30 LEU QD . . 3.140 2.260 2.097 2.524 . 0 0 "[ . 1 . 2]" 1
573 1 30 LEU HB3 1 31 ALA H . . 4.130 3.613 2.893 3.842 . 0 0 "[ . 1 . 2]" 1
574 1 30 LEU HB3 1 31 ALA HA . . 4.540 4.446 3.968 4.605 0.065 16 0 "[ . 1 . 2]" 1
575 1 30 LEU HB3 1 34 TYR QD . . 3.270 2.522 2.249 3.039 . 0 0 "[ . 1 . 2]" 1
576 1 30 LEU HB3 1 34 TYR QE . . 3.500 2.835 2.354 3.703 0.203 13 0 "[ . 1 . 2]" 1
577 1 30 LEU HB3 1 49 ILE MG . . 3.670 3.213 2.580 3.617 . 0 0 "[ . 1 . 2]" 1
578 1 30 LEU QD 1 31 ALA H . . 5.100 4.148 3.885 4.371 . 0 0 "[ . 1 . 2]" 1
579 1 30 LEU QD 1 33 LYS QB . . 3.440 2.915 2.501 3.355 . 0 0 "[ . 1 . 2]" 1
580 1 30 LEU QD 1 33 LYS HE3 . . 4.520 4.122 2.016 5.334 0.814 4 3 "[ -+. 1 . *]" 1
581 1 30 LEU QD 1 34 TYR H . . 5.500 4.559 4.278 4.884 . 0 0 "[ . 1 . 2]" 1
582 1 30 LEU QD 1 34 TYR QD . . 3.190 3.268 3.169 3.354 0.164 18 0 "[ . 1 . 2]" 1
583 1 30 LEU QD 1 34 TYR QE . . 2.770 2.085 1.982 2.293 . 0 0 "[ . 1 . 2]" 1
584 1 31 ALA H 1 31 ALA MB . . 2.980 2.210 2.159 2.245 . 0 0 "[ . 1 . 2]" 1
585 1 31 ALA H 1 32 LEU H . . 3.220 2.869 2.715 3.146 . 0 0 "[ . 1 . 2]" 1
586 1 31 ALA H 1 32 LEU HB2 . . 4.860 4.825 4.612 5.191 0.331 12 0 "[ . 1 . 2]" 1
587 1 31 ALA H 1 33 LYS H . . 4.860 4.036 3.898 4.167 . 0 0 "[ . 1 . 2]" 1
588 1 31 ALA H 1 49 ILE MD . . 4.550 3.880 3.451 4.313 . 0 0 "[ . 1 . 2]" 1
589 1 31 ALA H 1 49 ILE MG . . 4.840 3.789 3.395 4.104 . 0 0 "[ . 1 . 2]" 1
590 1 31 ALA HA 1 32 LEU H . . 3.540 3.602 3.574 3.619 0.079 12 0 "[ . 1 . 2]" 1
591 1 31 ALA HA 1 32 LEU HA . . 4.780 4.781 4.696 4.833 0.053 9 0 "[ . 1 . 2]" 1
592 1 31 ALA HA 1 34 TYR H . . 3.980 3.719 3.394 3.960 . 0 0 "[ . 1 . 2]" 1
593 1 31 ALA HA 1 34 TYR HB2 . . 4.460 3.545 3.173 3.659 . 0 0 "[ . 1 . 2]" 1
594 1 31 ALA HA 1 34 TYR HB3 . . 5.170 5.187 4.786 5.253 0.083 6 0 "[ . 1 . 2]" 1
595 1 31 ALA HA 1 34 TYR QD . . 4.810 4.086 3.951 4.253 . 0 0 "[ . 1 . 2]" 1
596 1 31 ALA HA 1 35 HIS H . . 5.340 4.798 4.149 5.540 0.200 15 0 "[ . 1 . 2]" 1
597 1 31 ALA HA 1 46 PHE QE . . 3.740 3.178 2.777 3.619 . 0 0 "[ . 1 . 2]" 1
598 1 31 ALA HA 1 46 PHE HZ . . 3.440 3.449 3.125 3.605 0.165 3 0 "[ . 1 . 2]" 1
599 1 31 ALA HA 1 49 ILE MD . . 3.690 2.898 2.465 3.572 . 0 0 "[ . 1 . 2]" 1
600 1 31 ALA HA 1 49 ILE MG . . 4.390 3.838 3.246 4.296 . 0 0 "[ . 1 . 2]" 1
601 1 31 ALA MB 1 32 LEU H . . 3.330 2.480 2.245 2.921 . 0 0 "[ . 1 . 2]" 1
602 1 31 ALA MB 1 32 LEU HA . . 4.240 3.972 3.907 4.097 . 0 0 "[ . 1 . 2]" 1
603 1 31 ALA MB 1 32 LEU HB2 . . 5.120 4.369 4.076 4.667 . 0 0 "[ . 1 . 2]" 1
604 1 31 ALA MB 1 32 LEU HG . . 5.240 4.065 3.275 4.757 . 0 0 "[ . 1 . 2]" 1
605 1 31 ALA MB 1 35 HIS QB . . 5.500 4.687 4.204 5.049 . 0 0 "[ . 1 . 2]" 1
606 1 31 ALA MB 1 35 HIS HD2 . . 4.250 3.294 2.873 3.784 . 0 0 "[ . 1 . 2]" 1
607 1 31 ALA MB 1 46 PHE QE . . 4.000 2.827 2.361 3.240 . 0 0 "[ . 1 . 2]" 1
608 1 31 ALA MB 1 46 PHE HZ . . 3.890 2.317 2.135 2.726 . 0 0 "[ . 1 . 2]" 1
609 1 31 ALA MB 1 49 ILE MD . . 3.970 3.695 3.269 4.076 0.106 14 0 "[ . 1 . 2]" 1
610 1 32 LEU H 1 32 LEU HB2 . . 2.820 2.305 2.204 2.395 . 0 0 "[ . 1 . 2]" 1
611 1 32 LEU H 1 32 LEU HB3 . . 3.440 3.527 3.434 3.570 0.130 3 0 "[ . 1 . 2]" 1
612 1 32 LEU H 1 32 LEU QD . . 4.160 2.590 1.960 3.275 . 0 0 "[ . 1 . 2]" 1
613 1 32 LEU H 1 32 LEU HG . . 3.550 3.162 2.459 3.641 0.091 7 0 "[ . 1 . 2]" 1
614 1 32 LEU H 1 35 HIS QB . . 5.500 4.807 4.465 5.272 . 0 0 "[ . 1 . 2]" 1
615 1 32 LEU HA 1 32 LEU QD . . 3.060 2.424 2.022 2.901 . 0 0 "[ . 1 . 2]" 1
616 1 32 LEU HA 1 32 LEU HG . . 3.190 2.626 2.209 3.245 0.055 3 0 "[ . 1 . 2]" 1
617 1 32 LEU HA 1 35 HIS H . . 5.470 3.804 3.427 4.700 . 0 0 "[ . 1 . 2]" 1
618 1 32 LEU HA 1 35 HIS QB . . 4.380 2.622 2.171 3.441 . 0 0 "[ . 1 . 2]" 1
619 1 32 LEU HB2 1 33 LYS H . . 3.750 3.205 2.851 3.887 0.137 6 0 "[ . 1 . 2]" 1
620 1 32 LEU HB3 1 32 LEU HG . . 2.760 2.714 2.322 3.055 0.295 4 0 "[ . 1 . 2]" 1
621 1 33 LYS H 1 33 LYS QB . . 3.090 2.260 2.088 2.407 . 0 0 "[ . 1 . 2]" 1
622 1 33 LYS H 1 33 LYS HG2 . . 4.800 4.462 4.263 4.764 . 0 0 "[ . 1 . 2]" 1
623 1 33 LYS H 1 33 LYS HG3 . . 4.300 4.405 3.720 4.632 0.332 14 0 "[ . 1 . 2]" 1
624 1 33 LYS H 1 34 TYR H . . 3.000 2.538 2.026 2.869 . 0 0 "[ . 1 . 2]" 1
625 1 33 LYS H 1 34 TYR HB2 . . 5.110 4.720 4.142 5.161 0.051 9 0 "[ . 1 . 2]" 1
626 1 33 LYS HA 1 33 LYS HG2 . . 3.990 3.461 2.727 3.940 . 0 0 "[ . 1 . 2]" 1
627 1 33 LYS HA 1 33 LYS HG3 . . 3.790 2.736 2.237 3.373 . 0 0 "[ . 1 . 2]" 1
628 1 33 LYS HA 1 34 TYR HA . . 4.950 4.674 4.580 4.755 . 0 0 "[ . 1 . 2]" 1
629 1 33 LYS QB 1 34 TYR H . . 3.720 2.417 2.051 2.809 . 0 0 "[ . 1 . 2]" 1
630 1 33 LYS QB 1 34 TYR HA . . 4.430 4.301 3.390 4.470 0.040 15 0 "[ . 1 . 2]" 1
631 1 33 LYS QB 1 34 TYR QD . . 3.390 3.295 3.075 3.439 0.049 16 0 "[ . 1 . 2]" 1
632 1 33 LYS QB 1 34 TYR QE . . 5.160 3.842 3.713 3.921 . 0 0 "[ . 1 . 2]" 1
633 1 33 LYS HE3 1 33 LYS HG2 . . 4.140 2.846 2.240 4.028 . 0 0 "[ . 1 . 2]" 1
634 1 33 LYS HG2 1 34 TYR H . . 5.500 3.734 2.989 4.925 . 0 0 "[ . 1 . 2]" 1
635 1 33 LYS HG2 1 34 TYR HA . . 5.500 4.185 3.191 5.569 0.069 10 0 "[ . 1 . 2]" 1
636 1 33 LYS HG2 1 34 TYR QE . . 5.300 3.766 3.238 5.370 0.070 17 0 "[ . 1 . 2]" 1
637 1 33 LYS HG3 1 34 TYR H . . 5.500 4.056 2.999 4.732 . 0 0 "[ . 1 . 2]" 1
638 1 34 TYR H 1 34 TYR HB2 . . 3.250 2.426 2.300 2.581 . 0 0 "[ . 1 . 2]" 1
639 1 34 TYR H 1 34 TYR HB3 . . 3.860 3.573 3.502 3.642 . 0 0 "[ . 1 . 2]" 1
640 1 34 TYR H 1 34 TYR QD . . 3.220 2.907 2.558 3.309 0.089 10 0 "[ . 1 . 2]" 1
641 1 34 TYR H 1 35 HIS H . . 3.520 2.923 2.488 3.465 . 0 0 "[ . 1 . 2]" 1
642 1 34 TYR HA 1 34 TYR QD . . 2.670 2.453 2.283 2.811 0.141 14 0 "[ . 1 . 2]" 1
643 1 34 TYR HA 1 35 HIS H . . 3.350 3.165 2.736 3.332 . 0 0 "[ . 1 . 2]" 1
644 1 34 TYR HA 1 35 HIS HA . . 4.790 4.779 4.578 4.846 0.056 11 0 "[ . 1 . 2]" 1
645 1 34 TYR HA 1 35 HIS QB . . 5.500 4.864 4.644 4.967 . 0 0 "[ . 1 . 2]" 1
646 1 34 TYR HA 1 39 ASN HB2 . . 4.220 3.658 2.943 4.210 . 0 0 "[ . 1 . 2]" 1
647 1 34 TYR HA 1 39 ASN HD21 . . 5.030 3.000 2.066 4.891 . 0 0 "[ . 1 . 2]" 1
648 1 34 TYR HA 1 42 GLU HB2 . . 4.250 3.194 2.623 4.015 . 0 0 "[ . 1 . 2]" 1
649 1 34 TYR HB2 1 45 LYS HB3 . . 5.240 4.654 3.706 5.936 0.696 17 1 "[ . 1 . + 2]" 1
650 1 34 TYR HB2 1 46 PHE H . . 5.500 4.816 4.353 5.349 . 0 0 "[ . 1 . 2]" 1
651 1 34 TYR HB2 1 46 PHE HA . . 4.550 3.744 3.360 4.124 . 0 0 "[ . 1 . 2]" 1
652 1 34 TYR HB2 1 46 PHE HB2 . . 5.230 4.389 3.762 4.837 . 0 0 "[ . 1 . 2]" 1
653 1 34 TYR HB2 1 49 ILE MD . . 4.300 2.387 2.197 2.594 . 0 0 "[ . 1 . 2]" 1
654 1 34 TYR HB3 1 35 HIS H . . 4.790 4.505 4.345 4.566 . 0 0 "[ . 1 . 2]" 1
655 1 34 TYR HB3 1 42 GLU HB2 . . 5.140 3.605 3.023 4.103 . 0 0 "[ . 1 . 2]" 1
656 1 34 TYR HB3 1 42 GLU HB3 . . 4.680 3.257 2.500 3.725 . 0 0 "[ . 1 . 2]" 1
657 1 34 TYR HB3 1 45 LYS HB3 . . 5.260 3.445 2.700 4.783 . 0 0 "[ . 1 . 2]" 1
658 1 34 TYR HB3 1 46 PHE HA . . 4.580 3.894 3.502 4.425 . 0 0 "[ . 1 . 2]" 1
659 1 34 TYR HB3 1 49 ILE MD . . 5.260 3.157 2.737 3.448 . 0 0 "[ . 1 . 2]" 1
660 1 34 TYR QD 1 35 HIS H . . 5.320 4.982 4.927 5.068 . 0 0 "[ . 1 . 2]" 1
661 1 34 TYR QD 1 42 GLU H . . 5.500 5.123 4.558 5.474 . 0 0 "[ . 1 . 2]" 1
662 1 34 TYR QD 1 42 GLU HB2 . . 3.340 2.653 2.209 2.993 . 0 0 "[ . 1 . 2]" 1
663 1 34 TYR QD 1 42 GLU HB3 . . 2.870 2.313 2.044 2.767 . 0 0 "[ . 1 . 2]" 1
664 1 34 TYR QD 1 42 GLU QG . . 4.070 3.327 2.224 3.910 . 0 0 "[ . 1 . 2]" 1
665 1 34 TYR QD 1 45 LYS HB2 . . 5.070 4.614 3.866 5.111 0.041 1 0 "[ . 1 . 2]" 1
666 1 34 TYR QD 1 45 LYS HB3 . . 5.050 3.855 3.501 4.712 . 0 0 "[ . 1 . 2]" 1
667 1 34 TYR QD 1 45 LYS QD . . 3.490 3.134 2.651 3.490 0.000 20 0 "[ . 1 . 2]" 1
668 1 34 TYR QD 1 45 LYS QE . . 4.260 3.444 2.739 4.368 0.108 17 0 "[ . 1 . 2]" 1
669 1 34 TYR QD 1 49 ILE MD . . 2.910 2.073 1.948 2.442 . 0 0 "[ . 1 . 2]" 1
670 1 34 TYR QE 1 42 GLU HB3 . . 3.850 3.773 3.333 4.019 0.169 15 0 "[ . 1 . 2]" 1
671 1 34 TYR QE 1 42 GLU QG . . 5.240 3.873 2.799 4.350 . 0 0 "[ . 1 . 2]" 1
672 1 34 TYR QE 1 45 LYS HB2 . . 5.420 5.238 4.711 5.500 0.080 18 0 "[ . 1 . 2]" 1
673 1 34 TYR QE 1 45 LYS HB3 . . 5.170 4.661 4.455 4.906 . 0 0 "[ . 1 . 2]" 1
674 1 34 TYR QE 1 45 LYS QD . . 3.090 2.898 2.433 3.080 . 0 0 "[ . 1 . 2]" 1
675 1 34 TYR QE 1 45 LYS QE . . 3.440 2.906 2.016 3.666 0.226 19 0 "[ . 1 . 2]" 1
676 1 34 TYR QE 1 45 LYS HG3 . . 5.500 5.457 5.239 5.782 0.282 17 0 "[ . 1 . 2]" 1
677 1 34 TYR QE 1 49 ILE MD . . 3.190 3.373 3.246 3.413 0.223 15 0 "[ . 1 . 2]" 1
678 1 34 TYR QE 1 49 ILE MG . . 4.730 4.751 4.409 4.835 0.105 4 0 "[ . 1 . 2]" 1
679 1 35 HIS H 1 35 HIS QB . . 3.300 2.107 2.032 2.283 . 0 0 "[ . 1 . 2]" 1
680 1 35 HIS H 1 36 PRO HD3 . . 5.000 5.024 4.936 5.061 0.061 4 0 "[ . 1 . 2]" 1
681 1 35 HIS HA 1 35 HIS HD2 . . 3.720 2.920 2.522 3.217 . 0 0 "[ . 1 . 2]" 1
682 1 35 HIS HA 1 36 PRO HD2 . . 3.390 2.431 2.313 2.554 . 0 0 "[ . 1 . 2]" 1
683 1 35 HIS HA 1 36 PRO HD3 . . 3.150 2.422 2.341 2.492 . 0 0 "[ . 1 . 2]" 1
684 1 35 HIS HA 1 36 PRO HG2 . . 5.380 4.586 4.488 4.698 . 0 0 "[ . 1 . 2]" 1
685 1 35 HIS QB 1 35 HIS HD2 . . 3.120 2.717 2.609 2.889 . 0 0 "[ . 1 . 2]" 1
686 1 35 HIS QB 1 36 PRO HD2 . . 5.430 3.496 3.398 3.581 . 0 0 "[ . 1 . 2]" 1
687 1 35 HIS QB 1 37 ASP H . . 5.290 3.536 3.063 3.993 . 0 0 "[ . 1 . 2]" 1
688 1 35 HIS QB 1 38 LYS H . . 4.040 2.990 2.609 3.248 . 0 0 "[ . 1 . 2]" 1
689 1 35 HIS QB 1 38 LYS HB2 . . 4.490 3.264 2.449 4.399 . 0 0 "[ . 1 . 2]" 1
690 1 35 HIS QB 1 38 LYS HG3 . . 5.120 4.580 3.400 4.991 . 0 0 "[ . 1 . 2]" 1
691 1 35 HIS QB 1 46 PHE QE . . 5.500 3.839 3.263 4.422 . 0 0 "[ . 1 . 2]" 1
692 1 35 HIS HD2 1 36 PRO HD2 . . 4.690 3.741 3.128 4.215 . 0 0 "[ . 1 . 2]" 1
693 1 35 HIS HD2 1 36 PRO HD3 . . 4.720 4.572 3.924 4.932 0.212 7 0 "[ . 1 . 2]" 1
694 1 35 HIS HD2 1 46 PHE QE . . 3.350 2.464 2.124 2.803 . 0 0 "[ . 1 . 2]" 1
695 1 35 HIS HE1 1 36 PRO HD2 . . 4.410 3.871 3.614 4.192 . 0 0 "[ . 1 . 2]" 1
696 1 35 HIS HE1 1 36 PRO HG2 . . 4.620 4.563 4.080 4.692 0.072 14 0 "[ . 1 . 2]" 1
697 1 35 HIS HE1 1 37 ASP H . . 3.780 4.486 4.112 4.691 0.911 17 16 "[-****** **** ***+* 2]" 1
698 1 35 HIS HE1 1 37 ASP QB . . 3.460 3.536 2.928 3.655 0.195 11 0 "[ . 1 . 2]" 1
699 1 36 PRO HA 1 38 LYS H . . 4.650 4.073 3.684 4.347 . 0 0 "[ . 1 . 2]" 1
700 1 36 PRO HA 1 39 ASN H . . 3.840 3.207 3.094 3.374 . 0 0 "[ . 1 . 2]" 1
701 1 36 PRO HA 1 40 PRO HA . . 3.880 2.912 2.298 3.507 . 0 0 "[ . 1 . 2]" 1
702 1 36 PRO HA 1 43 GLY HA3 . . 3.790 3.675 3.332 3.860 0.070 1 0 "[ . 1 . 2]" 1
703 1 36 PRO HB2 1 37 ASP H . . 4.470 3.302 3.056 3.582 . 0 0 "[ . 1 . 2]" 1
704 1 36 PRO HB3 1 40 PRO HA . . 5.200 3.999 3.326 4.689 . 0 0 "[ . 1 . 2]" 1
705 1 36 PRO HB3 1 43 GLY HA2 . . 4.280 3.105 2.512 3.420 . 0 0 "[ . 1 . 2]" 1
706 1 36 PRO HB3 1 43 GLY HA3 . . 4.660 2.890 2.328 3.367 . 0 0 "[ . 1 . 2]" 1
707 1 36 PRO HB3 1 46 PHE HB2 . . 5.180 5.135 4.853 5.247 0.067 1 0 "[ . 1 . 2]" 1
708 1 36 PRO HD2 1 37 ASP H . . 4.890 2.836 2.618 3.193 . 0 0 "[ . 1 . 2]" 1
709 1 36 PRO HD2 1 46 PHE QE . . 5.500 3.090 2.500 3.893 . 0 0 "[ . 1 . 2]" 1
710 1 36 PRO HD3 1 37 ASP H . . 5.320 3.885 3.733 4.127 . 0 0 "[ . 1 . 2]" 1
711 1 36 PRO HD3 1 46 PHE HB3 . . 4.960 4.837 4.553 5.033 0.073 18 0 "[ . 1 . 2]" 1
712 1 36 PRO HD3 1 46 PHE QD . . 4.790 2.299 2.040 2.775 . 0 0 "[ . 1 . 2]" 1
713 1 36 PRO HG2 1 37 ASP H . . 4.900 2.365 2.091 2.767 . 0 0 "[ . 1 . 2]" 1
714 1 36 PRO HG2 1 37 ASP QB . . 5.070 3.544 3.056 4.065 . 0 0 "[ . 1 . 2]" 1
715 1 36 PRO HG2 1 46 PHE QD . . 5.450 5.200 4.865 5.526 0.076 8 0 "[ . 1 . 2]" 1
716 1 36 PRO HG3 1 37 ASP H . . 4.720 3.915 3.655 4.270 . 0 0 "[ . 1 . 2]" 1
717 1 36 PRO HG3 1 43 GLY HA3 . . 5.420 4.892 4.296 5.495 0.075 15 0 "[ . 1 . 2]" 1
718 1 36 PRO HG3 1 46 PHE QD . . 5.480 4.207 3.655 4.779 . 0 0 "[ . 1 . 2]" 1
719 1 37 ASP H 1 37 ASP QB . . 3.250 2.113 1.977 2.226 . 0 0 "[ . 1 . 2]" 1
720 1 37 ASP H 1 38 LYS H . . 3.330 2.918 2.658 3.162 . 0 0 "[ . 1 . 2]" 1
721 1 37 ASP H 1 39 ASN H . . 4.700 4.077 3.927 4.222 . 0 0 "[ . 1 . 2]" 1
722 1 37 ASP HA 1 37 ASP QB . . 2.720 2.399 2.163 2.545 . 0 0 "[ . 1 . 2]" 1
723 1 37 ASP HA 1 39 ASN H . . 4.620 4.495 4.212 4.690 0.070 10 0 "[ . 1 . 2]" 1
724 1 37 ASP QB 1 38 LYS H . . 3.470 2.717 2.466 3.559 0.089 19 0 "[ . 1 . 2]" 1
725 1 37 ASP QB 1 38 LYS HA . . 5.140 4.503 4.175 4.859 . 0 0 "[ . 1 . 2]" 1
726 1 37 ASP QB 1 38 LYS HG3 . . 4.970 3.970 3.037 5.029 0.059 19 0 "[ . 1 . 2]" 1
727 1 37 ASP QB 1 39 ASN H . . 5.050 4.561 4.321 5.111 0.061 19 0 "[ . 1 . 2]" 1
728 1 38 LYS H 1 38 LYS HB2 . . 3.310 2.509 2.314 2.722 . 0 0 "[ . 1 . 2]" 1
729 1 38 LYS H 1 38 LYS HB3 . . 3.720 3.687 3.570 3.798 0.078 15 0 "[ . 1 . 2]" 1
730 1 38 LYS H 1 38 LYS QD . . 4.770 4.408 2.579 4.927 0.157 13 0 "[ . 1 . 2]" 1
731 1 38 LYS H 1 38 LYS HG2 . . 4.740 3.428 3.090 4.263 . 0 0 "[ . 1 . 2]" 1
732 1 38 LYS H 1 38 LYS HG3 . . 4.180 3.974 3.220 4.267 0.087 2 0 "[ . 1 . 2]" 1
733 1 38 LYS H 1 40 PRO HD3 . . 5.500 4.419 4.020 4.902 . 0 0 "[ . 1 . 2]" 1
734 1 38 LYS HA 1 38 LYS QD . . 3.670 2.587 2.062 3.743 0.073 13 0 "[ . 1 . 2]" 1
735 1 38 LYS HA 1 38 LYS HG3 . . 4.060 3.575 2.436 3.772 . 0 0 "[ . 1 . 2]" 1
736 1 38 LYS HA 1 40 PRO HD3 . . 5.350 3.732 3.349 4.125 . 0 0 "[ . 1 . 2]" 1
737 1 38 LYS HB2 1 39 ASN H . . 4.120 3.811 3.372 4.184 0.064 15 0 "[ . 1 . 2]" 1
738 1 38 LYS HB2 1 39 ASN HA . . 5.090 5.304 4.990 5.559 0.469 18 0 "[ . 1 . 2]" 1
739 1 38 LYS HB3 1 39 ASN H . . 4.510 4.318 3.981 4.519 0.009 15 0 "[ . 1 . 2]" 1
740 1 38 LYS HG2 1 39 ASN H . . 4.990 4.976 4.778 5.846 0.856 7 1 "[ . + 1 . 2]" 1
741 1 39 ASN H 1 39 ASN HB2 . . 3.570 3.251 3.062 3.415 . 0 0 "[ . 1 . 2]" 1
742 1 39 ASN H 1 39 ASN HB3 . . 3.560 3.128 2.575 3.379 . 0 0 "[ . 1 . 2]" 1
743 1 39 ASN H 1 40 PRO HD2 . . 4.830 3.679 3.315 4.339 . 0 0 "[ . 1 . 2]" 1
744 1 39 ASN H 1 40 PRO HD3 . . 4.520 2.734 2.360 3.545 . 0 0 "[ . 1 . 2]" 1
745 1 39 ASN HA 1 40 PRO HD2 . . 3.040 2.252 2.172 2.343 . 0 0 "[ . 1 . 2]" 1
746 1 39 ASN HA 1 40 PRO HD3 . . 3.140 3.024 2.759 3.208 0.068 15 0 "[ . 1 . 2]" 1
747 1 39 ASN HA 1 40 PRO QG . . 4.900 4.093 4.011 4.176 . 0 0 "[ . 1 . 2]" 1
748 1 39 ASN HA 1 41 ASN H . . 4.410 3.528 3.182 4.272 . 0 0 "[ . 1 . 2]" 1
749 1 39 ASN HB2 1 39 ASN HD21 . . 3.510 2.689 2.261 3.601 0.091 6 0 "[ . 1 . 2]" 1
750 1 39 ASN HB2 1 40 PRO HD2 . . 4.720 4.753 4.551 4.805 0.085 11 0 "[ . 1 . 2]" 1
751 1 39 ASN HB2 1 40 PRO HD3 . . 4.960 5.000 4.892 5.033 0.073 6 0 "[ . 1 . 2]" 1
752 1 39 ASN HB2 1 42 GLU HB2 . . 4.460 4.460 4.246 4.548 0.088 2 0 "[ . 1 . 2]" 1
753 1 39 ASN HB3 1 39 ASN HD21 . . 3.670 2.748 2.458 3.566 . 0 0 "[ . 1 . 2]" 1
754 1 39 ASN HB3 1 40 PRO HA . . 5.350 5.006 4.893 5.297 . 0 0 "[ . 1 . 2]" 1
755 1 39 ASN HB3 1 40 PRO HD2 . . 5.000 4.928 4.873 4.996 . 0 0 "[ . 1 . 2]" 1
756 1 39 ASN HB3 1 40 PRO HD3 . . 5.500 5.036 4.954 5.121 . 0 0 "[ . 1 . 2]" 1
757 1 39 ASN HB3 1 42 GLU HB2 . . 4.410 3.245 2.670 4.451 0.041 2 0 "[ . 1 . 2]" 1
758 1 39 ASN HD21 1 42 GLU HB2 . . 5.500 3.171 1.934 3.787 . 0 0 "[ . 1 . 2]" 1
759 1 39 ASN HD21 1 42 GLU QG . . 5.100 3.655 2.005 4.709 . 0 0 "[ . 1 . 2]" 1
760 1 39 ASN HD22 1 42 GLU HB2 . . 5.350 2.993 1.971 3.970 . 0 0 "[ . 1 . 2]" 1
761 1 39 ASN HD22 1 42 GLU QG . . 4.660 2.624 1.950 3.473 . 0 0 "[ . 1 . 2]" 1
762 1 40 PRO HA 1 42 GLU H . . 4.730 3.907 3.388 4.746 0.016 18 0 "[ . 1 . 2]" 1
763 1 40 PRO HA 1 43 GLY H . . 5.010 3.665 3.109 4.420 . 0 0 "[ . 1 . 2]" 1
764 1 40 PRO HB2 1 41 ASN H . . 3.710 3.627 3.043 3.790 0.080 9 0 "[ . 1 . 2]" 1
765 1 40 PRO HB2 1 41 ASN HD21 . . 5.270 5.075 4.091 5.347 0.077 14 0 "[ . 1 . 2]" 1
766 1 40 PRO HD2 1 41 ASN H . . 3.940 2.922 2.659 3.323 . 0 0 "[ . 1 . 2]" 1
767 1 40 PRO HD2 1 41 ASN HD21 . . 5.500 5.004 3.351 5.582 0.082 17 0 "[ . 1 . 2]" 1
768 1 40 PRO HD3 1 41 ASN H . . 4.760 4.020 3.849 4.294 . 0 0 "[ . 1 . 2]" 1
769 1 40 PRO HG2 1 41 ASN H . . 4.940 2.823 2.236 3.349 . 0 0 "[ . 1 . 2]" 1
770 1 40 PRO HG2 1 41 ASN HD21 . . 5.370 3.917 2.408 4.560 . 0 0 "[ . 1 . 2]" 1
771 1 41 ASN H 1 41 ASN HB2 . . 3.190 2.530 2.031 3.334 0.144 16 0 "[ . 1 . 2]" 1
772 1 41 ASN H 1 41 ASN HB3 . . 3.440 3.249 2.174 3.523 0.083 2 0 "[ . 1 . 2]" 1
773 1 41 ASN H 1 41 ASN HD21 . . 4.760 3.464 2.006 4.218 . 0 0 "[ . 1 . 2]" 1
774 1 41 ASN H 1 41 ASN HD22 . . 5.500 4.344 2.954 5.348 . 0 0 "[ . 1 . 2]" 1
775 1 41 ASN H 1 42 GLU H . . 3.140 2.657 2.412 3.199 0.059 16 0 "[ . 1 . 2]" 1
776 1 41 ASN H 1 42 GLU HB2 . . 5.500 4.783 4.464 5.403 . 0 0 "[ . 1 . 2]" 1
777 1 41 ASN H 1 43 GLY H . . 4.700 4.232 3.778 4.631 . 0 0 "[ . 1 . 2]" 1
778 1 41 ASN HA 1 41 ASN HD21 . . 4.200 3.234 2.731 3.815 . 0 0 "[ . 1 . 2]" 1
779 1 41 ASN HA 1 41 ASN HD22 . . 4.540 4.061 3.428 4.715 0.175 16 0 "[ . 1 . 2]" 1
780 1 41 ASN HB2 1 41 ASN HD21 . . 3.570 2.874 2.228 3.618 0.048 15 0 "[ . 1 . 2]" 1
781 1 41 ASN HB2 1 42 GLU H . . 4.620 3.494 2.533 4.413 . 0 0 "[ . 1 . 2]" 1
782 1 41 ASN HB2 1 42 GLU QG . . 4.040 3.228 2.373 4.211 0.171 11 0 "[ . 1 . 2]" 1
783 1 41 ASN HB2 1 43 GLY H . . 5.500 5.356 4.696 5.851 0.351 3 0 "[ . 1 . 2]" 1
784 1 42 GLU H 1 42 GLU HB2 . . 3.340 2.559 2.429 2.800 . 0 0 "[ . 1 . 2]" 1
785 1 42 GLU H 1 42 GLU HB3 . . 4.200 3.701 3.602 3.848 . 0 0 "[ . 1 . 2]" 1
786 1 42 GLU H 1 42 GLU QG . . 3.800 2.790 2.409 3.267 . 0 0 "[ . 1 . 2]" 1
787 1 42 GLU H 1 43 GLY H . . 3.360 2.387 2.012 2.783 . 0 0 "[ . 1 . 2]" 1
788 1 42 GLU H 1 43 GLY HA2 . . 5.500 4.466 3.984 4.836 . 0 0 "[ . 1 . 2]" 1
789 1 42 GLU H 1 43 GLY HA3 . . 5.500 4.469 3.980 4.887 . 0 0 "[ . 1 . 2]" 1
790 1 42 GLU HA 1 42 GLU QG . . 3.010 2.506 2.108 2.964 . 0 0 "[ . 1 . 2]" 1
791 1 42 GLU HA 1 43 GLY H . . 3.470 3.182 3.025 3.378 . 0 0 "[ . 1 . 2]" 1
792 1 42 GLU HA 1 44 GLU H . . 3.650 3.670 3.439 3.726 0.076 17 0 "[ . 1 . 2]" 1
793 1 42 GLU HA 1 44 GLU QB . . 4.820 4.683 4.092 4.927 0.107 15 0 "[ . 1 . 2]" 1
794 1 42 GLU HA 1 45 LYS H . . 4.130 3.169 2.859 3.479 . 0 0 "[ . 1 . 2]" 1
795 1 42 GLU HA 1 45 LYS HB2 . . 4.740 3.025 2.740 3.687 . 0 0 "[ . 1 . 2]" 1
796 1 42 GLU HA 1 45 LYS HB3 . . 4.550 3.896 3.291 4.824 0.274 17 0 "[ . 1 . 2]" 1
797 1 42 GLU HA 1 45 LYS QD . . 5.140 4.554 2.020 5.005 . 0 0 "[ . 1 . 2]" 1
798 1 42 GLU HA 1 45 LYS QE . . 3.880 3.324 2.909 3.988 0.108 12 0 "[ . 1 . 2]" 1
799 1 42 GLU HB2 1 43 GLY H . . 4.440 3.949 3.733 4.204 . 0 0 "[ . 1 . 2]" 1
800 1 42 GLU HB3 1 43 GLY H . . 4.680 4.479 4.376 4.544 . 0 0 "[ . 1 . 2]" 1
801 1 42 GLU HB3 1 45 LYS HG2 . . 5.500 4.890 4.620 5.287 . 0 0 "[ . 1 . 2]" 1
802 1 42 GLU QG 1 45 LYS HB3 . . 5.290 4.620 3.754 5.461 0.171 12 0 "[ . 1 . 2]" 1
803 1 43 GLY H 1 43 GLY HA2 . . 2.890 2.815 2.760 2.867 . 0 0 "[ . 1 . 2]" 1
804 1 43 GLY H 1 43 GLY HA3 . . 2.940 2.289 2.264 2.316 . 0 0 "[ . 1 . 2]" 1
805 1 43 GLY H 1 44 GLU H . . 3.450 2.862 2.683 3.024 . 0 0 "[ . 1 . 2]" 1
806 1 43 GLY H 1 44 GLU QB . . 5.020 4.831 4.620 5.013 . 0 0 "[ . 1 . 2]" 1
807 1 43 GLY HA2 1 46 PHE HB2 . . 3.940 3.015 2.327 3.886 . 0 0 "[ . 1 . 2]" 1
808 1 44 GLU H 1 44 GLU QB . . 2.910 2.330 2.209 2.518 . 0 0 "[ . 1 . 2]" 1
809 1 44 GLU H 1 44 GLU QG . . 3.720 3.145 2.172 3.888 0.168 19 0 "[ . 1 . 2]" 1
810 1 44 GLU H 1 45 LYS H . . 3.280 2.442 2.204 2.649 . 0 0 "[ . 1 . 2]" 1
811 1 44 GLU H 1 45 LYS HB3 . . 5.500 5.152 4.610 5.907 0.407 17 0 "[ . 1 . 2]" 1
812 1 44 GLU HA 1 44 GLU QB . . 2.740 2.456 2.305 2.561 . 0 0 "[ . 1 . 2]" 1
813 1 44 GLU HA 1 47 LYS H . . 3.750 3.362 2.939 3.821 0.071 13 0 "[ . 1 . 2]" 1
814 1 44 GLU HA 1 47 LYS QB . . 3.380 3.245 2.820 3.471 0.091 20 0 "[ . 1 . 2]" 1
815 1 44 GLU QB 1 44 GLU QG . . 2.420 2.101 2.017 2.146 . 0 0 "[ . 1 . 2]" 1
816 1 44 GLU QB 1 45 LYS H . . 3.310 2.951 2.616 3.348 0.038 15 0 "[ . 1 . 2]" 1
817 1 44 GLU QG 1 45 LYS H . . 4.620 4.414 3.816 4.627 0.007 8 0 "[ . 1 . 2]" 1
818 1 45 LYS H 1 45 LYS HB2 . . 3.370 2.308 2.117 2.637 . 0 0 "[ . 1 . 2]" 1
819 1 45 LYS H 1 45 LYS HB3 . . 3.100 2.937 2.685 3.507 0.407 12 0 "[ . 1 . 2]" 1
820 1 45 LYS H 1 45 LYS HG2 . . 4.490 4.375 3.214 4.559 0.069 9 0 "[ . 1 . 2]" 1
821 1 45 LYS H 1 45 LYS HG3 . . 4.220 3.976 1.898 4.363 0.143 15 0 "[ . 1 . 2]" 1
822 1 45 LYS H 1 46 PHE H . . 3.260 2.656 2.487 2.877 . 0 0 "[ . 1 . 2]" 1
823 1 45 LYS H 1 46 PHE HB3 . . 5.460 5.345 5.160 5.536 0.076 14 0 "[ . 1 . 2]" 1
824 1 45 LYS HA 1 45 LYS HB2 . . 3.020 2.719 2.583 3.046 0.026 17 0 "[ . 1 . 2]" 1
825 1 45 LYS HA 1 45 LYS QE . . 5.290 4.305 3.689 4.766 . 0 0 "[ . 1 . 2]" 1
826 1 45 LYS HA 1 45 LYS HG2 . . 4.160 2.658 2.294 2.919 . 0 0 "[ . 1 . 2]" 1
827 1 45 LYS HA 1 45 LYS HG3 . . 3.820 2.628 2.262 3.282 . 0 0 "[ . 1 . 2]" 1
828 1 45 LYS HA 1 48 GLN H . . 4.110 3.339 3.062 3.613 . 0 0 "[ . 1 . 2]" 1
829 1 45 LYS HA 1 48 GLN HB2 . . 3.370 3.290 2.746 3.449 0.079 8 0 "[ . 1 . 2]" 1
830 1 45 LYS HA 1 48 GLN HG3 . . 5.250 3.788 2.954 4.250 . 0 0 "[ . 1 . 2]" 1
831 1 45 LYS HB2 1 46 PHE H . . 3.720 3.632 2.494 3.845 0.125 15 0 "[ . 1 . 2]" 1
832 1 45 LYS HB3 1 46 PHE H . . 3.690 2.976 2.622 3.757 0.067 12 0 "[ . 1 . 2]" 1
833 1 45 LYS QD 1 46 PHE HA . . 5.490 5.200 4.771 5.365 . 0 0 "[ . 1 . 2]" 1
834 1 45 LYS HG3 1 46 PHE H . . 5.500 5.056 3.982 5.328 . 0 0 "[ . 1 . 2]" 1
835 1 46 PHE H 1 46 PHE HB2 . . 3.190 2.135 2.038 2.211 . 0 0 "[ . 1 . 2]" 1
836 1 46 PHE H 1 46 PHE HB3 . . 3.070 2.989 2.889 3.087 0.017 6 0 "[ . 1 . 2]" 1
837 1 46 PHE H 1 46 PHE QD . . 4.470 4.057 3.881 4.159 . 0 0 "[ . 1 . 2]" 1
838 1 46 PHE H 1 47 LYS H . . 3.360 2.828 2.692 2.921 . 0 0 "[ . 1 . 2]" 1
839 1 46 PHE H 1 48 GLN H . . 4.970 4.457 4.335 4.655 . 0 0 "[ . 1 . 2]" 1
840 1 46 PHE HA 1 46 PHE QD . . 3.410 2.724 2.238 3.077 . 0 0 "[ . 1 . 2]" 1
841 1 46 PHE HA 1 48 GLN H . . 5.350 4.324 4.084 4.514 . 0 0 "[ . 1 . 2]" 1
842 1 46 PHE HA 1 49 ILE H . . 4.150 3.381 3.206 3.497 . 0 0 "[ . 1 . 2]" 1
843 1 46 PHE HA 1 49 ILE HB . . 3.300 3.254 2.959 3.382 0.082 13 0 "[ . 1 . 2]" 1
844 1 46 PHE HA 1 49 ILE MD . . 3.490 2.191 2.094 2.290 . 0 0 "[ . 1 . 2]" 1
845 1 46 PHE HA 1 49 ILE HG12 . . 4.220 3.794 3.580 3.970 . 0 0 "[ . 1 . 2]" 1
846 1 46 PHE HA 1 49 ILE HG13 . . 3.770 2.258 2.075 2.472 . 0 0 "[ . 1 . 2]" 1
847 1 46 PHE HA 1 49 ILE MG . . 4.500 4.286 4.111 4.401 . 0 0 "[ . 1 . 2]" 1
848 1 46 PHE HB2 1 47 LYS H . . 3.470 3.546 3.531 3.553 0.083 15 0 "[ . 1 . 2]" 1
849 1 46 PHE HB2 1 47 LYS HA . . 5.350 5.395 5.277 5.426 0.076 14 0 "[ . 1 . 2]" 1
850 1 46 PHE HB3 1 47 LYS H . . 4.110 2.704 2.590 2.888 . 0 0 "[ . 1 . 2]" 1
851 1 46 PHE HB3 1 47 LYS HA . . 4.190 3.902 3.734 3.968 . 0 0 "[ . 1 . 2]" 1
852 1 46 PHE HB3 1 48 GLN H . . 5.500 5.154 5.030 5.386 . 0 0 "[ . 1 . 2]" 1
853 1 46 PHE QD 1 47 LYS HA . . 5.070 4.124 3.469 4.810 . 0 0 "[ . 1 . 2]" 1
854 1 46 PHE QD 1 49 ILE H . . 4.170 4.188 3.781 4.378 0.208 14 0 "[ . 1 . 2]" 1
855 1 46 PHE QD 1 49 ILE HB . . 5.050 2.906 2.241 3.571 . 0 0 "[ . 1 . 2]" 1
856 1 46 PHE QD 1 49 ILE HG13 . . 5.500 3.898 3.320 4.561 . 0 0 "[ . 1 . 2]" 1
857 1 46 PHE QD 1 49 ILE MG . . 4.530 4.111 3.388 4.625 0.095 3 0 "[ . 1 . 2]" 1
858 1 46 PHE QE 1 49 ILE MD . . 4.310 3.608 3.055 3.999 . 0 0 "[ . 1 . 2]" 1
859 1 46 PHE QE 1 50 SER HA . . 5.500 5.092 4.024 5.571 0.071 12 0 "[ . 1 . 2]" 1
860 1 46 PHE QE 1 50 SER QB . . 5.500 4.180 2.829 5.263 . 0 0 "[ . 1 . 2]" 1
861 1 47 LYS H 1 47 LYS QB . . 2.830 2.132 1.968 2.562 . 0 0 "[ . 1 . 2]" 1
862 1 47 LYS H 1 47 LYS HG2 . . 4.660 4.129 2.895 4.602 . 0 0 "[ . 1 . 2]" 1
863 1 47 LYS H 1 47 LYS HG3 . . 3.910 3.854 2.164 4.490 0.580 5 1 "[ + 1 . 2]" 1
864 1 47 LYS H 1 48 GLN H . . 3.220 2.868 2.741 2.998 . 0 0 "[ . 1 . 2]" 1
865 1 47 LYS H 1 49 ILE H . . 4.140 4.110 3.995 4.221 0.081 13 0 "[ . 1 . 2]" 1
866 1 47 LYS HA 1 47 LYS HG2 . . 3.780 2.864 2.252 3.896 0.116 20 0 "[ . 1 . 2]" 1
867 1 47 LYS HA 1 47 LYS HG3 . . 3.850 2.736 2.174 3.789 . 0 0 "[ . 1 . 2]" 1
868 1 47 LYS HA 1 49 ILE H . . 3.940 4.004 3.957 4.028 0.088 6 0 "[ . 1 . 2]" 1
869 1 47 LYS QB 1 48 GLN H . . 3.290 2.940 2.603 3.446 0.156 20 0 "[ . 1 . 2]" 1
870 1 47 LYS HE2 1 47 LYS HG2 . . 3.570 3.025 2.333 3.699 0.129 20 0 "[ . 1 . 2]" 1
871 1 47 LYS HG2 1 48 GLN H . . 5.190 4.307 2.030 5.187 . 0 0 "[ . 1 . 2]" 1
872 1 48 GLN H 1 48 GLN HB2 . . 3.530 2.226 2.168 2.315 . 0 0 "[ . 1 . 2]" 1
873 1 48 GLN H 1 48 GLN HB3 . . 3.440 3.501 3.470 3.517 0.077 10 0 "[ . 1 . 2]" 1
874 1 48 GLN H 1 48 GLN HG2 . . 3.910 3.160 2.716 3.815 . 0 0 "[ . 1 . 2]" 1
875 1 48 GLN H 1 48 GLN HG3 . . 3.610 3.512 3.024 3.948 0.338 1 0 "[ . 1 . 2]" 1
876 1 48 GLN H 1 49 ILE H . . 3.330 2.592 2.290 2.747 . 0 0 "[ . 1 . 2]" 1
877 1 48 GLN H 1 49 ILE HB . . 5.260 5.172 4.909 5.320 0.060 3 0 "[ . 1 . 2]" 1
878 1 48 GLN H 1 50 SER H . . 5.420 4.388 4.139 4.646 . 0 0 "[ . 1 . 2]" 1
879 1 48 GLN HA 1 48 GLN HG2 . . 3.870 2.419 2.118 2.689 . 0 0 "[ . 1 . 2]" 1
880 1 48 GLN HA 1 48 GLN HG3 . . 3.800 3.578 3.248 3.778 . 0 0 "[ . 1 . 2]" 1
881 1 48 GLN HA 1 49 ILE HA . . 4.970 4.799 4.731 4.856 . 0 0 "[ . 1 . 2]" 1
882 1 48 GLN HA 1 51 GLN HB3 . . 3.430 2.657 2.258 2.958 . 0 0 "[ . 1 . 2]" 1
883 1 48 GLN HA 1 51 GLN HG2 . . 5.380 4.345 3.704 5.506 0.126 16 0 "[ . 1 . 2]" 1
884 1 48 GLN HA 1 51 GLN HG3 . . 5.430 5.055 4.170 5.509 0.079 5 0 "[ . 1 . 2]" 1
885 1 48 GLN HA 1 52 ALA H . . 4.410 4.031 3.718 4.517 0.107 10 0 "[ . 1 . 2]" 1
886 1 48 GLN HB2 1 49 ILE H . . 4.030 3.064 2.753 3.349 . 0 0 "[ . 1 . 2]" 1
887 1 48 GLN HB2 1 49 ILE HA . . 5.010 4.705 4.407 4.996 . 0 0 "[ . 1 . 2]" 1
888 1 48 GLN HB2 1 49 ILE MD . . 5.500 5.076 4.658 5.499 . 0 0 "[ . 1 . 2]" 1
889 1 48 GLN HB3 1 49 ILE H . . 3.750 3.585 3.378 3.751 0.001 11 0 "[ . 1 . 2]" 1
890 1 48 GLN HG3 1 49 ILE H . . 5.500 5.156 4.702 5.459 . 0 0 "[ . 1 . 2]" 1
891 1 49 ILE H 1 49 ILE HB . . 2.920 2.762 2.606 2.856 . 0 0 "[ . 1 . 2]" 1
892 1 49 ILE H 1 49 ILE MD . . 4.200 3.656 3.529 3.749 . 0 0 "[ . 1 . 2]" 1
893 1 49 ILE H 1 49 ILE HG12 . . 3.590 3.116 2.991 3.269 . 0 0 "[ . 1 . 2]" 1
894 1 49 ILE H 1 49 ILE HG13 . . 3.660 2.018 1.927 2.104 . 0 0 "[ . 1 . 2]" 1
895 1 49 ILE H 1 49 ILE MG . . 3.800 3.810 3.754 3.838 0.038 15 0 "[ . 1 . 2]" 1
896 1 49 ILE HA 1 49 ILE MD . . 4.450 3.968 3.907 4.028 . 0 0 "[ . 1 . 2]" 1
897 1 49 ILE HA 1 49 ILE HG12 . . 3.970 2.810 2.658 2.930 . 0 0 "[ . 1 . 2]" 1
898 1 49 ILE HA 1 49 ILE HG13 . . 3.140 3.362 3.249 3.404 0.264 5 0 "[ . 1 . 2]" 1
899 1 49 ILE HA 1 49 ILE MG . . 3.240 2.333 2.276 2.417 . 0 0 "[ . 1 . 2]" 1
900 1 49 ILE HA 1 52 ALA H . . 4.030 3.720 3.521 3.898 . 0 0 "[ . 1 . 2]" 1
901 1 49 ILE HA 1 52 ALA MB . . 3.590 2.949 2.617 3.372 . 0 0 "[ . 1 . 2]" 1
902 1 49 ILE HB 1 49 ILE MD . . 3.720 2.371 2.267 2.552 . 0 0 "[ . 1 . 2]" 1
903 1 49 ILE HB 1 50 SER H . . 3.250 2.506 2.331 2.655 . 0 0 "[ . 1 . 2]" 1
904 1 49 ILE MD 1 49 ILE MG . . 2.940 2.087 2.051 2.123 . 0 0 "[ . 1 . 2]" 1
905 1 49 ILE HG13 1 49 ILE MG . . 3.420 3.203 3.171 3.229 . 0 0 "[ . 1 . 2]" 1
906 1 49 ILE HG13 1 50 SER H . . 4.310 3.848 3.607 4.020 . 0 0 "[ . 1 . 2]" 1
907 1 49 ILE MG 1 50 SER H . . 4.390 3.730 3.548 3.868 . 0 0 "[ . 1 . 2]" 1
908 1 49 ILE MG 1 50 SER HA . . 5.340 3.969 3.627 4.135 . 0 0 "[ . 1 . 2]" 1
909 1 50 SER H 1 50 SER QB . . 3.200 2.622 2.107 2.964 . 0 0 "[ . 1 . 2]" 1
910 1 50 SER H 1 52 ALA H . . 5.050 4.260 3.974 4.611 . 0 0 "[ . 1 . 2]" 1
911 1 50 SER HA 1 50 SER QB . . 2.530 2.212 2.124 2.431 . 0 0 "[ . 1 . 2]" 1
912 1 50 SER HA 1 51 GLN H . . 3.300 3.612 3.528 3.659 0.359 15 0 "[ . 1 . 2]" 1
913 1 50 SER HA 1 52 ALA MB . . 5.500 5.086 4.831 5.397 . 0 0 "[ . 1 . 2]" 1
914 1 50 SER HA 1 53 TYR H . . 4.070 3.608 3.291 3.927 . 0 0 "[ . 1 . 2]" 1
915 1 50 SER HA 1 53 TYR HB2 . . 4.730 4.041 3.221 4.718 . 0 0 "[ . 1 . 2]" 1
916 1 50 SER HA 1 53 TYR HB3 . . 3.880 2.866 2.341 3.281 . 0 0 "[ . 1 . 2]" 1
917 1 50 SER HA 1 54 GLU H . . 4.670 4.035 3.731 4.315 . 0 0 "[ . 1 . 2]" 1
918 1 51 GLN H 1 51 GLN HB2 . . 3.010 2.268 2.093 2.508 . 0 0 "[ . 1 . 2]" 1
919 1 51 GLN H 1 51 GLN HB3 . . 2.860 2.607 2.393 2.967 0.107 10 0 "[ . 1 . 2]" 1
920 1 51 GLN H 1 51 GLN HG2 . . 4.290 4.506 4.315 4.600 0.310 5 0 "[ . 1 . 2]" 1
921 1 51 GLN H 1 51 GLN HG3 . . 4.370 4.420 4.284 4.476 0.106 16 0 "[ . 1 . 2]" 1
922 1 51 GLN H 1 52 ALA H . . 3.230 2.905 2.763 3.032 . 0 0 "[ . 1 . 2]" 1
923 1 51 GLN H 1 52 ALA HA . . 5.500 5.483 5.357 5.554 0.054 11 0 "[ . 1 . 2]" 1
924 1 51 GLN H 1 52 ALA MB . . 5.410 4.570 4.395 4.685 . 0 0 "[ . 1 . 2]" 1
925 1 51 GLN HA 1 51 GLN HB2 . . 2.970 2.543 2.436 2.753 . 0 0 "[ . 1 . 2]" 1
926 1 51 GLN HA 1 51 GLN HG2 . . 3.880 3.583 2.415 3.887 0.007 4 0 "[ . 1 . 2]" 1
927 1 51 GLN HA 1 51 GLN HG3 . . 3.670 2.863 2.421 3.745 0.075 7 0 "[ . 1 . 2]" 1
928 1 51 GLN HA 1 52 ALA HA . . 4.710 4.729 4.637 4.769 0.059 20 0 "[ . 1 . 2]" 1
929 1 51 GLN HA 1 53 TYR H . . 5.060 4.877 4.632 5.137 0.077 12 0 "[ . 1 . 2]" 1
930 1 51 GLN HA 1 54 GLU H . . 3.910 3.752 3.397 3.975 0.065 6 0 "[ . 1 . 2]" 1
931 1 51 GLN HA 1 54 GLU HB2 . . 3.810 3.489 2.608 3.863 0.053 17 0 "[ . 1 . 2]" 1
932 1 51 GLN HA 1 54 GLU HB3 . . 3.730 3.011 2.602 3.300 . 0 0 "[ . 1 . 2]" 1
933 1 51 GLN HA 1 54 GLU HG2 . . 4.880 4.476 3.671 5.522 0.642 15 1 "[ . 1 + 2]" 1
934 1 51 GLN HA 1 54 GLU HG3 . . 5.250 5.297 4.392 5.964 0.714 16 4 "[ . * 1 .+- *2]" 1
935 1 51 GLN HA 1 55 VAL H . . 4.910 4.792 4.261 4.984 0.074 11 0 "[ . 1 . 2]" 1
936 1 51 GLN HA 1 55 VAL MG2 . . 5.260 4.307 3.932 4.536 . 0 0 "[ . 1 . 2]" 1
937 1 51 GLN HB2 1 52 ALA H . . 3.900 3.867 3.546 4.014 0.114 14 0 "[ . 1 . 2]" 1
938 1 51 GLN HB3 1 52 ALA H . . 3.430 2.683 2.167 3.369 . 0 0 "[ . 1 . 2]" 1
939 1 51 GLN HE21 1 55 VAL MG2 . . 4.690 4.163 2.227 4.791 0.101 17 0 "[ . 1 . 2]" 1
940 1 51 GLN HE22 1 55 VAL MG2 . . 5.500 5.124 2.933 6.256 0.756 6 5 "[ *+ * - . * 2]" 1
941 1 51 GLN HG3 1 52 ALA HA . . 5.500 4.506 3.358 5.893 0.393 16 0 "[ . 1 . 2]" 1
942 1 51 GLN HG3 1 55 VAL MG2 . . 5.180 4.112 3.386 5.709 0.529 16 1 "[ . 1 .+ 2]" 1
943 1 52 ALA H 1 52 ALA MB . . 3.110 2.230 2.175 2.338 . 0 0 "[ . 1 . 2]" 1
944 1 52 ALA H 1 53 TYR H . . 3.340 2.631 2.303 2.861 . 0 0 "[ . 1 . 2]" 1
945 1 52 ALA H 1 54 GLU H . . 4.830 3.861 3.486 4.211 . 0 0 "[ . 1 . 2]" 1
946 1 52 ALA HA 1 54 GLU H . . 4.000 4.079 4.059 4.087 0.087 10 0 "[ . 1 . 2]" 1
947 1 52 ALA HA 1 55 VAL H . . 4.400 3.826 3.613 4.163 . 0 0 "[ . 1 . 2]" 1
948 1 52 ALA HA 1 55 VAL HB . . 4.070 3.919 3.390 4.151 0.081 6 0 "[ . 1 . 2]" 1
949 1 52 ALA HA 1 55 VAL MG1 . . 5.350 5.067 4.719 5.322 . 0 0 "[ . 1 . 2]" 1
950 1 52 ALA HA 1 55 VAL MG2 . . 4.590 3.327 2.292 4.520 . 0 0 "[ . 1 . 2]" 1
951 1 52 ALA HA 1 56 LEU QD . . 5.280 4.004 3.331 4.522 . 0 0 "[ . 1 . 2]" 1
952 1 52 ALA MB 1 53 TYR H . . 3.490 2.448 2.330 2.610 . 0 0 "[ . 1 . 2]" 1
953 1 52 ALA MB 1 53 TYR QR . . 5.500 4.945 4.676 5.185 . 0 0 "[ . 1 . 2]" 1
954 1 52 ALA MB 1 54 GLU H . . 5.500 4.326 4.207 4.482 . 0 0 "[ . 1 . 2]" 1
955 1 52 ALA MB 1 56 LEU QD . . 4.520 3.243 2.980 3.650 . 0 0 "[ . 1 . 2]" 1
956 1 53 TYR H 1 53 TYR HB2 . . 3.040 2.469 2.315 2.734 . 0 0 "[ . 1 . 2]" 1
957 1 53 TYR H 1 53 TYR HB3 . . 3.120 2.485 2.287 2.905 . 0 0 "[ . 1 . 2]" 1
958 1 53 TYR H 1 53 TYR QR . . 4.060 4.102 3.992 4.143 0.083 15 0 "[ . 1 . 2]" 1
959 1 53 TYR H 1 54 GLU H . . 3.040 2.714 2.656 2.775 . 0 0 "[ . 1 . 2]" 1
960 1 53 TYR H 1 54 GLU HB3 . . 5.500 4.959 4.802 5.259 . 0 0 "[ . 1 . 2]" 1
961 1 53 TYR H 1 55 VAL H . . 5.030 4.635 4.288 4.875 . 0 0 "[ . 1 . 2]" 1
962 1 53 TYR H 1 56 LEU QD . . 5.500 4.478 3.976 4.845 . 0 0 "[ . 1 . 2]" 1
963 1 53 TYR HA 1 53 TYR QR . . 2.680 2.686 2.329 2.869 0.189 13 0 "[ . 1 . 2]" 1
964 1 53 TYR HA 1 55 VAL H . . 5.500 4.431 3.728 4.839 . 0 0 "[ . 1 . 2]" 1
965 1 53 TYR HA 1 56 LEU H . . 4.110 3.471 3.200 3.831 . 0 0 "[ . 1 . 2]" 1
966 1 53 TYR HA 1 56 LEU QB . . 3.910 2.782 2.308 3.623 . 0 0 "[ . 1 . 2]" 1
967 1 53 TYR HA 1 56 LEU QD . . 4.950 2.892 2.308 3.629 . 0 0 "[ . 1 . 2]" 1
968 1 53 TYR HA 1 57 SER H . . 4.780 4.513 3.879 4.835 0.055 19 0 "[ . 1 . 2]" 1
969 1 53 TYR HB2 1 54 GLU H . . 4.280 4.147 3.900 4.304 0.024 12 0 "[ . 1 . 2]" 1
970 1 53 TYR HB3 1 54 GLU H . . 3.530 3.070 2.701 3.310 . 0 0 "[ . 1 . 2]" 1
971 1 53 TYR QR 1 54 GLU H . . 4.300 4.028 3.572 4.338 0.038 8 0 "[ . 1 . 2]" 1
972 1 53 TYR QR 1 54 GLU HA . . 4.280 3.682 2.953 4.395 0.115 11 0 "[ . 1 . 2]" 1
973 1 53 TYR QR 1 57 SER H . . 4.790 4.499 3.842 4.976 0.186 1 0 "[ . 1 . 2]" 1
974 1 53 TYR QR 1 57 SER HA . . 4.820 3.973 2.834 4.728 . 0 0 "[ . 1 . 2]" 1
975 1 53 TYR QR 1 57 SER QB . . 3.970 3.094 2.021 3.736 . 0 0 "[ . 1 . 2]" 1
976 1 54 GLU H 1 54 GLU HB2 . . 2.890 2.520 2.215 2.831 . 0 0 "[ . 1 . 2]" 1
977 1 54 GLU H 1 54 GLU HB3 . . 3.340 2.454 2.307 2.735 . 0 0 "[ . 1 . 2]" 1
978 1 54 GLU H 1 54 GLU HG3 . . 4.230 4.463 4.347 4.577 0.347 8 0 "[ . 1 . 2]" 1
979 1 54 GLU H 1 55 VAL H . . 3.280 2.715 2.553 2.834 . 0 0 "[ . 1 . 2]" 1
980 1 54 GLU H 1 55 VAL HA . . 5.190 5.346 5.200 5.441 0.251 13 0 "[ . 1 . 2]" 1
981 1 54 GLU H 1 55 VAL HB . . 5.310 5.011 4.663 5.372 0.062 10 0 "[ . 1 . 2]" 1
982 1 54 GLU H 1 55 VAL MG2 . . 5.220 3.986 3.558 4.313 . 0 0 "[ . 1 . 2]" 1
983 1 54 GLU H 1 56 LEU H . . 5.180 4.032 3.746 4.465 . 0 0 "[ . 1 . 2]" 1
984 1 54 GLU HA 1 54 GLU HG2 . . 4.000 3.632 2.357 3.891 . 0 0 "[ . 1 . 2]" 1
985 1 54 GLU HA 1 54 GLU HG3 . . 3.980 2.981 2.443 3.555 . 0 0 "[ . 1 . 2]" 1
986 1 54 GLU HA 1 57 SER H . . 4.890 3.455 3.045 3.845 . 0 0 "[ . 1 . 2]" 1
987 1 54 GLU HB2 1 54 GLU HG2 . . 3.000 2.629 2.402 3.053 0.053 17 0 "[ . 1 . 2]" 1
988 1 54 GLU HB2 1 55 VAL H . . 3.950 3.924 3.742 4.027 0.077 20 0 "[ . 1 . 2]" 1
989 1 54 GLU HB2 1 55 VAL MG2 . . 4.790 4.603 4.367 4.860 0.070 9 0 "[ . 1 . 2]" 1
990 1 54 GLU HB3 1 55 VAL H . . 3.510 2.661 2.304 3.243 . 0 0 "[ . 1 . 2]" 1
991 1 54 GLU HB3 1 55 VAL MG2 . . 4.810 3.123 2.871 3.362 . 0 0 "[ . 1 . 2]" 1
992 1 54 GLU HG2 1 55 VAL H . . 5.500 4.332 3.004 5.305 . 0 0 "[ . 1 . 2]" 1
993 1 54 GLU HG2 1 55 VAL MG2 . . 4.660 4.157 3.013 4.772 0.112 11 0 "[ . 1 . 2]" 1
994 1 54 GLU HG3 1 55 VAL H . . 5.490 4.046 3.435 5.263 . 0 0 "[ . 1 . 2]" 1
995 1 54 GLU HG3 1 55 VAL MG2 . . 4.960 4.136 3.418 4.853 . 0 0 "[ . 1 . 2]" 1
996 1 55 VAL H 1 55 VAL HB . . 2.980 2.587 2.242 2.871 . 0 0 "[ . 1 . 2]" 1
997 1 55 VAL H 1 55 VAL MG1 . . 4.590 3.776 3.707 3.893 . 0 0 "[ . 1 . 2]" 1
998 1 55 VAL H 1 55 VAL MG2 . . 3.130 2.063 1.855 2.477 . 0 0 "[ . 1 . 2]" 1
999 1 55 VAL H 1 56 LEU H . . 3.340 2.560 2.302 2.728 . 0 0 "[ . 1 . 2]" 1
1000 1 55 VAL H 1 57 SER H . . 5.500 4.028 3.612 4.284 . 0 0 "[ . 1 . 2]" 1
1001 1 55 VAL HA 1 55 VAL MG1 . . 3.430 2.392 2.243 2.566 . 0 0 "[ . 1 . 2]" 1
1002 1 55 VAL HA 1 55 VAL MG2 . . 3.030 2.440 2.255 2.696 . 0 0 "[ . 1 . 2]" 1
1003 1 55 VAL HA 1 58 ASP HB3 . . 5.180 4.933 3.916 5.640 0.460 14 0 "[ . 1 . 2]" 1
1004 1 55 VAL HA 1 61 LYS HA . . 5.170 5.023 4.725 5.242 0.072 3 0 "[ . 1 . 2]" 1
1005 1 55 VAL HA 1 61 LYS HB2 . . 3.570 3.173 2.797 3.644 0.074 14 0 "[ . 1 . 2]" 1
1006 1 55 VAL HA 1 61 LYS HB3 . . 3.550 2.549 2.253 2.784 . 0 0 "[ . 1 . 2]" 1
1007 1 55 VAL HA 1 61 LYS HE3 . . 4.350 3.129 1.823 4.222 . 0 0 "[ . 1 . 2]" 1
1008 1 55 VAL HA 1 61 LYS HG3 . . 5.230 4.158 3.367 4.921 . 0 0 "[ . 1 . 2]" 1
1009 1 55 VAL HB 1 56 LEU H . . 2.920 2.851 2.505 3.047 0.127 7 0 "[ . 1 . 2]" 1
1010 1 55 VAL HB 1 56 LEU QD . . 5.500 3.157 2.015 3.854 . 0 0 "[ . 1 . 2]" 1
1011 1 55 VAL MG1 1 56 LEU H . . 4.000 3.794 3.594 4.016 0.016 10 0 "[ . 1 . 2]" 1
1012 1 55 VAL MG1 1 56 LEU HA . . 4.720 3.893 3.675 4.277 . 0 0 "[ . 1 . 2]" 1
1013 1 55 VAL MG1 1 56 LEU QD . . 3.770 2.960 2.656 3.363 . 0 0 "[ . 1 . 2]" 1
1014 1 55 VAL MG1 1 61 LYS HA . . 5.210 4.130 3.774 4.495 . 0 0 "[ . 1 . 2]" 1
1015 1 55 VAL MG1 1 61 LYS HB2 . . 4.110 3.745 3.221 4.186 0.076 14 0 "[ . 1 . 2]" 1
1016 1 55 VAL MG1 1 61 LYS HB3 . . 3.430 2.541 2.157 2.898 . 0 0 "[ . 1 . 2]" 1
1017 1 55 VAL MG1 1 61 LYS HG3 . . 5.500 4.934 4.363 5.396 . 0 0 "[ . 1 . 2]" 1
1018 1 55 VAL MG1 1 62 ARG H . . 5.330 4.341 3.841 4.788 . 0 0 "[ . 1 . 2]" 1
1019 1 55 VAL MG1 1 62 ARG HA . . 4.070 3.332 2.773 4.116 0.046 10 0 "[ . 1 . 2]" 1
1020 1 55 VAL MG1 1 65 TYR H . . 4.750 3.986 3.498 4.343 . 0 0 "[ . 1 . 2]" 1
1021 1 55 VAL MG1 1 65 TYR HA . . 5.490 4.022 3.720 4.456 . 0 0 "[ . 1 . 2]" 1
1022 1 55 VAL MG1 1 65 TYR QB . . 3.750 2.234 2.024 2.687 . 0 0 "[ . 1 . 2]" 1
1023 1 55 VAL MG1 1 65 TYR QD . . 3.440 2.819 2.498 3.362 . 0 0 "[ . 1 . 2]" 1
1024 1 55 VAL MG2 1 56 LEU H . . 4.660 3.784 3.243 4.079 . 0 0 "[ . 1 . 2]" 1
1025 1 55 VAL MG2 1 56 LEU HG . . 5.500 4.784 4.227 5.631 0.131 11 0 "[ . 1 . 2]" 1
1026 1 55 VAL MG2 1 57 SER H . . 5.500 5.186 4.905 5.461 . 0 0 "[ . 1 . 2]" 1
1027 1 55 VAL MG2 1 61 LYS HB2 . . 5.500 4.987 4.717 5.308 . 0 0 "[ . 1 . 2]" 1
1028 1 55 VAL MG2 1 61 LYS HB3 . . 5.260 3.965 3.385 4.413 . 0 0 "[ . 1 . 2]" 1
1029 1 55 VAL MG2 1 61 LYS HE3 . . 5.020 3.337 2.405 4.687 . 0 0 "[ . 1 . 2]" 1
1030 1 55 VAL MG2 1 61 LYS HG3 . . 5.500 5.516 4.785 6.301 0.801 16 1 "[ . 1 .+ 2]" 1
1031 1 56 LEU H 1 56 LEU QB . . 3.770 2.442 2.312 2.581 . 0 0 "[ . 1 . 2]" 1
1032 1 56 LEU H 1 56 LEU QD . . 3.820 2.916 1.992 3.344 . 0 0 "[ . 1 . 2]" 1
1033 1 56 LEU H 1 56 LEU HG . . 3.700 2.771 2.167 3.777 0.077 20 0 "[ . 1 . 2]" 1
1034 1 56 LEU H 1 57 SER H . . 3.370 2.584 2.386 2.789 . 0 0 "[ . 1 . 2]" 1
1035 1 56 LEU HA 1 56 LEU QD . . 3.070 2.178 2.066 2.328 . 0 0 "[ . 1 . 2]" 1
1036 1 56 LEU HA 1 58 ASP H . . 4.680 4.053 3.397 4.736 0.056 13 0 "[ . 1 . 2]" 1
1037 1 56 LEU HA 1 62 ARG H . . 4.730 4.180 3.831 4.534 . 0 0 "[ . 1 . 2]" 1
1038 1 56 LEU HA 1 62 ARG HB2 . . 3.370 2.626 2.224 3.299 . 0 0 "[ . 1 . 2]" 1
1039 1 56 LEU HA 1 62 ARG QD . . 5.490 3.254 2.385 4.440 . 0 0 "[ . 1 . 2]" 1
1040 1 56 LEU HA 1 62 ARG HG3 . . 4.950 3.756 2.671 4.995 0.045 9 0 "[ . 1 . 2]" 1
1041 1 56 LEU QB 1 57 SER H . . 4.090 3.346 2.841 3.712 . 0 0 "[ . 1 . 2]" 1
1042 1 56 LEU QB 1 57 SER QB . . 5.250 4.466 3.905 4.796 . 0 0 "[ . 1 . 2]" 1
1043 1 56 LEU QB 1 62 ARG QD . . 5.010 3.508 2.440 4.583 . 0 0 "[ . 1 . 2]" 1
1044 1 56 LEU QD 1 57 SER H . . 5.500 4.309 3.796 4.574 . 0 0 "[ . 1 . 2]" 1
1045 1 56 LEU QD 1 62 ARG H . . 5.500 4.825 4.594 5.204 . 0 0 "[ . 1 . 2]" 1
1046 1 56 LEU QD 1 62 ARG HA . . 4.020 3.324 2.814 3.557 . 0 0 "[ . 1 . 2]" 1
1047 1 56 LEU QD 1 62 ARG HB2 . . 5.050 3.408 2.773 4.187 . 0 0 "[ . 1 . 2]" 1
1048 1 56 LEU QD 1 62 ARG HB3 . . 4.610 4.566 4.194 4.645 0.035 10 0 "[ . 1 . 2]" 1
1049 1 56 LEU QD 1 62 ARG QD . . 5.320 2.466 1.915 3.348 . 0 0 "[ . 1 . 2]" 1
1050 1 56 LEU QD 1 62 ARG HE . . 4.710 3.394 2.090 4.095 . 0 0 "[ . 1 . 2]" 1
1051 1 56 LEU QD 1 62 ARG HG2 . . 4.760 3.983 2.178 4.610 . 0 0 "[ . 1 . 2]" 1
1052 1 56 LEU QD 1 62 ARG HG3 . . 4.270 2.867 2.138 4.152 . 0 0 "[ . 1 . 2]" 1
1053 1 56 LEU QD 1 65 TYR QB . . 4.800 3.447 3.018 3.720 . 0 0 "[ . 1 . 2]" 1
1054 1 56 LEU QD 1 65 TYR QD . . 2.920 2.863 2.646 3.074 0.154 7 0 "[ . 1 . 2]" 1
1055 1 56 LEU QD 1 65 TYR QE . . 3.470 2.501 2.279 2.913 . 0 0 "[ . 1 . 2]" 1
1056 1 57 SER H 1 57 SER QB . . 3.330 2.355 2.111 2.744 . 0 0 "[ . 1 . 2]" 1
1057 1 57 SER H 1 58 ASP H . . 3.270 2.596 2.290 2.944 . 0 0 "[ . 1 . 2]" 1
1058 1 57 SER QB 1 58 ASP H . . 5.260 3.266 2.426 4.051 . 0 0 "[ . 1 . 2]" 1
1059 1 58 ASP H 1 58 ASP HB2 . . 3.190 2.737 2.204 3.127 . 0 0 "[ . 1 . 2]" 1
1060 1 58 ASP H 1 58 ASP HB3 . . 3.530 2.754 2.450 3.140 . 0 0 "[ . 1 . 2]" 1
1061 1 58 ASP H 1 59 ALA H . . 4.700 4.474 4.266 4.699 . 0 0 "[ . 1 . 2]" 1
1062 1 58 ASP H 1 59 ALA HA . . 5.500 5.031 4.625 5.449 . 0 0 "[ . 1 . 2]" 1
1063 1 58 ASP H 1 61 LYS H . . 5.370 4.481 4.123 4.959 . 0 0 "[ . 1 . 2]" 1
1064 1 58 ASP H 1 61 LYS HB2 . . 4.860 3.230 2.871 3.759 . 0 0 "[ . 1 . 2]" 1
1065 1 58 ASP H 1 62 ARG H . . 4.740 3.883 3.504 4.610 . 0 0 "[ . 1 . 2]" 1
1066 1 58 ASP H 1 62 ARG HB2 . . 5.500 4.325 3.483 5.436 . 0 0 "[ . 1 . 2]" 1
1067 1 58 ASP HA 1 59 ALA H . . 2.790 2.279 2.192 2.370 . 0 0 "[ . 1 . 2]" 1
1068 1 58 ASP HA 1 59 ALA HA . . 4.640 4.420 4.306 4.513 . 0 0 "[ . 1 . 2]" 1
1069 1 58 ASP HA 1 59 ALA MB . . 4.490 4.114 4.009 4.271 . 0 0 "[ . 1 . 2]" 1
1070 1 58 ASP HA 1 60 LYS H . . 4.710 4.058 3.643 4.614 . 0 0 "[ . 1 . 2]" 1
1071 1 58 ASP HB2 1 59 ALA H . . 4.920 4.317 4.055 4.575 . 0 0 "[ . 1 . 2]" 1
1072 1 58 ASP HB2 1 60 LYS H . . 4.930 4.641 4.297 5.057 0.127 15 0 "[ . 1 . 2]" 1
1073 1 58 ASP HB2 1 61 LYS H . . 4.000 3.774 3.451 4.055 0.055 19 0 "[ . 1 . 2]" 1
1074 1 58 ASP HB2 1 61 LYS HB2 . . 3.520 3.488 3.255 3.604 0.084 17 0 "[ . 1 . 2]" 1
1075 1 58 ASP HB2 1 62 ARG H . . 4.820 4.907 4.891 4.949 0.129 2 0 "[ . 1 . 2]" 1
1076 1 58 ASP HB3 1 59 ALA H . . 4.440 3.871 3.414 4.263 . 0 0 "[ . 1 . 2]" 1
1077 1 58 ASP HB3 1 60 LYS H . . 4.690 3.516 3.135 4.023 . 0 0 "[ . 1 . 2]" 1
1078 1 58 ASP HB3 1 61 LYS H . . 4.310 2.179 1.780 2.781 . 0 0 "[ . 1 . 2]" 1
1079 1 58 ASP HB3 1 61 LYS HB3 . . 4.700 3.888 3.652 4.285 . 0 0 "[ . 1 . 2]" 1
1080 1 59 ALA H 1 59 ALA MB . . 2.990 2.271 2.191 2.336 . 0 0 "[ . 1 . 2]" 1
1081 1 59 ALA H 1 60 LYS H . . 3.430 2.710 2.382 2.937 . 0 0 "[ . 1 . 2]" 1
1082 1 59 ALA H 1 61 LYS H . . 5.500 4.337 3.903 4.943 . 0 0 "[ . 1 . 2]" 1
1083 1 59 ALA HA 1 62 ARG H . . 4.050 3.568 3.355 3.793 . 0 0 "[ . 1 . 2]" 1
1084 1 59 ALA HA 1 62 ARG HB2 . . 3.710 3.611 2.570 3.790 0.080 15 0 "[ . 1 . 2]" 1
1085 1 59 ALA HA 1 62 ARG HB3 . . 3.390 2.670 2.094 3.304 . 0 0 "[ . 1 . 2]" 1
1086 1 59 ALA HA 1 63 GLU H . . 4.960 3.929 3.504 4.350 . 0 0 "[ . 1 . 2]" 1
1087 1 59 ALA MB 1 60 LYS H . . 3.410 2.818 2.389 3.339 . 0 0 "[ . 1 . 2]" 1
1088 1 59 ALA MB 1 60 LYS HA . . 4.650 3.945 3.780 4.184 . 0 0 "[ . 1 . 2]" 1
1089 1 59 ALA MB 1 61 LYS H . . 5.500 4.775 4.403 5.284 . 0 0 "[ . 1 . 2]" 1
1090 1 59 ALA MB 1 62 ARG H . . 5.500 4.778 4.614 4.987 . 0 0 "[ . 1 . 2]" 1
1091 1 59 ALA MB 1 62 ARG HB2 . . 5.470 5.074 4.201 5.255 . 0 0 "[ . 1 . 2]" 1
1092 1 59 ALA MB 1 62 ARG QD . . 5.500 5.180 4.674 5.394 . 0 0 "[ . 1 . 2]" 1
1093 1 59 ALA MB 1 63 GLU H . . 5.500 4.428 4.085 4.904 . 0 0 "[ . 1 . 2]" 1
1094 1 60 LYS H 1 60 LYS QB . . 2.880 2.125 2.031 2.280 . 0 0 "[ . 1 . 2]" 1
1095 1 60 LYS H 1 60 LYS QD . . 4.620 4.004 2.677 4.706 0.086 17 0 "[ . 1 . 2]" 1
1096 1 60 LYS H 1 60 LYS HG2 . . 4.430 4.042 3.087 4.499 0.069 6 0 "[ . 1 . 2]" 1
1097 1 60 LYS H 1 60 LYS HG3 . . 4.360 3.933 2.660 4.493 0.133 12 0 "[ . 1 . 2]" 1
1098 1 60 LYS H 1 61 LYS H . . 3.050 2.639 2.262 2.970 . 0 0 "[ . 1 . 2]" 1
1099 1 60 LYS H 1 61 LYS HG2 . . 5.500 5.516 4.489 6.142 0.642 16 1 "[ . 1 .+ 2]" 1
1100 1 60 LYS H 1 62 ARG H . . 4.480 4.128 3.227 4.573 0.093 18 0 "[ . 1 . 2]" 1
1101 1 60 LYS H 1 63 GLU H . . 5.500 4.532 4.080 4.832 . 0 0 "[ . 1 . 2]" 1
1102 1 60 LYS HA 1 60 LYS QD . . 3.790 3.187 2.142 3.897 0.107 12 0 "[ . 1 . 2]" 1
1103 1 60 LYS HA 1 60 LYS QE . . 4.440 4.306 3.093 5.201 0.761 12 2 "[ . - + . 2]" 1
1104 1 60 LYS HA 1 60 LYS HG2 . . 3.660 2.790 2.149 3.624 . 0 0 "[ . 1 . 2]" 1
1105 1 60 LYS HA 1 60 LYS HG3 . . 3.990 2.897 2.246 3.636 . 0 0 "[ . 1 . 2]" 1
1106 1 60 LYS HA 1 62 ARG H . . 5.280 4.663 4.460 5.025 . 0 0 "[ . 1 . 2]" 1
1107 1 60 LYS HA 1 63 GLU H . . 4.010 3.250 2.884 3.930 . 0 0 "[ . 1 . 2]" 1
1108 1 60 LYS HA 1 63 GLU QB . . 3.290 2.574 2.167 3.274 . 0 0 "[ . 1 . 2]" 1
1109 1 60 LYS HA 1 64 LEU H . . 4.830 4.454 4.146 4.892 0.062 8 0 "[ . 1 . 2]" 1
1110 1 60 LYS QB 1 61 LYS H . . 3.150 2.730 2.398 3.006 . 0 0 "[ . 1 . 2]" 1
1111 1 60 LYS QD 1 60 LYS QE . . 2.450 2.074 1.982 2.122 . 0 0 "[ . 1 . 2]" 1
1112 1 60 LYS HG2 1 61 LYS H . . 5.500 4.822 2.737 5.395 . 0 0 "[ . 1 . 2]" 1
1113 1 61 LYS H 1 61 LYS HB2 . . 3.170 2.546 2.404 2.752 . 0 0 "[ . 1 . 2]" 1
1114 1 61 LYS H 1 61 LYS HB3 . . 4.030 3.679 3.600 3.778 . 0 0 "[ . 1 . 2]" 1
1115 1 61 LYS H 1 61 LYS HG2 . . 3.930 3.102 2.448 3.411 . 0 0 "[ . 1 . 2]" 1
1116 1 61 LYS H 1 61 LYS HG3 . . 3.250 2.883 2.337 3.383 0.133 7 0 "[ . 1 . 2]" 1
1117 1 61 LYS H 1 62 ARG H . . 3.240 2.741 2.406 2.972 . 0 0 "[ . 1 . 2]" 1
1118 1 61 LYS H 1 63 GLU H . . 5.360 4.147 3.844 4.345 . 0 0 "[ . 1 . 2]" 1
1119 1 61 LYS H 1 64 LEU H . . 5.500 5.177 4.976 5.409 . 0 0 "[ . 1 . 2]" 1
1120 1 61 LYS HA 1 61 LYS HB3 . . 2.900 2.504 2.449 2.575 . 0 0 "[ . 1 . 2]" 1
1121 1 61 LYS HA 1 61 LYS HE3 . . 5.080 4.248 2.624 5.888 0.808 8 2 "[ . +-1 . 2]" 1
1122 1 61 LYS HA 1 61 LYS HG2 . . 3.350 2.403 2.277 2.700 . 0 0 "[ . 1 . 2]" 1
1123 1 61 LYS HA 1 61 LYS HG3 . . 3.630 3.478 3.096 3.716 0.086 15 0 "[ . 1 . 2]" 1
1124 1 61 LYS HA 1 64 LEU H . . 3.880 3.683 3.408 3.935 0.055 19 0 "[ . 1 . 2]" 1
1125 1 61 LYS HA 1 64 LEU QD . . 3.970 3.735 2.932 3.999 0.029 7 0 "[ . 1 . 2]" 1
1126 1 61 LYS HA 1 65 TYR H . . 5.190 4.225 3.914 4.556 . 0 0 "[ . 1 . 2]" 1
1127 1 61 LYS HB2 1 62 ARG H . . 3.550 2.515 2.257 2.726 . 0 0 "[ . 1 . 2]" 1
1128 1 61 LYS HB3 1 61 LYS HE3 . . 3.990 2.900 2.051 4.420 0.430 7 0 "[ . 1 . 2]" 1
1129 1 61 LYS HB3 1 62 ARG H . . 4.580 3.431 3.164 3.635 . 0 0 "[ . 1 . 2]" 1
1130 1 61 LYS HE3 1 61 LYS HG2 . . 3.960 3.365 2.329 4.270 0.310 9 0 "[ . 1 . 2]" 1
1131 1 61 LYS HE3 1 61 LYS HG3 . . 3.980 3.670 2.548 3.872 . 0 0 "[ . 1 . 2]" 1
1132 1 62 ARG H 1 62 ARG HB2 . . 3.190 2.506 2.197 2.670 . 0 0 "[ . 1 . 2]" 1
1133 1 62 ARG H 1 62 ARG HB3 . . 3.190 2.767 2.523 3.194 0.004 10 0 "[ . 1 . 2]" 1
1134 1 62 ARG H 1 62 ARG QD . . 5.500 4.609 4.129 5.050 . 0 0 "[ . 1 . 2]" 1
1135 1 62 ARG H 1 62 ARG HG2 . . 5.230 4.551 3.958 4.637 . 0 0 "[ . 1 . 2]" 1
1136 1 62 ARG H 1 62 ARG HG3 . . 4.780 4.419 4.096 4.543 . 0 0 "[ . 1 . 2]" 1
1137 1 62 ARG H 1 63 GLU H . . 3.330 3.018 2.949 3.153 . 0 0 "[ . 1 . 2]" 1
1138 1 62 ARG H 1 64 LEU H . . 5.210 4.610 4.395 4.806 . 0 0 "[ . 1 . 2]" 1
1139 1 62 ARG HA 1 62 ARG HG3 . . 3.230 2.473 2.213 3.537 0.307 10 0 "[ . 1 . 2]" 1
1140 1 62 ARG HA 1 64 LEU H . . 5.010 4.292 3.912 4.742 . 0 0 "[ . 1 . 2]" 1
1141 1 62 ARG HA 1 65 TYR H . . 3.900 3.374 3.135 3.612 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ARG HA 1 65 TYR QB . . 3.300 2.091 1.980 2.372 . 0 0 "[ . 1 . 2]" 1
1143 1 62 ARG HA 1 65 TYR QD . . 4.100 3.086 2.752 3.574 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ARG HA 1 66 ASP H . . 4.580 3.918 3.741 4.376 . 0 0 "[ . 1 . 2]" 1
1145 1 62 ARG HB2 1 62 ARG QD . . 3.870 2.539 2.253 3.347 . 0 0 "[ . 1 . 2]" 1
1146 1 62 ARG HB3 1 62 ARG QD . . 3.740 2.667 2.365 3.220 . 0 0 "[ . 1 . 2]" 1
1147 1 62 ARG HB3 1 63 GLU H . . 3.260 2.975 2.775 3.145 . 0 0 "[ . 1 . 2]" 1
1148 1 62 ARG QD 1 65 TYR QE . . 4.140 4.063 3.674 4.139 . 0 0 "[ . 1 . 2]" 1
1149 1 62 ARG HE 1 62 ARG HG2 . . 3.790 2.997 2.177 3.808 0.018 7 0 "[ . 1 . 2]" 1
1150 1 62 ARG HE 1 62 ARG HG3 . . 3.690 2.968 2.389 3.634 . 0 0 "[ . 1 . 2]" 1
1151 1 62 ARG HE 1 65 TYR QE . . 4.330 4.085 2.996 4.475 0.145 7 0 "[ . 1 . 2]" 1
1152 1 62 ARG HG2 1 63 GLU H . . 5.500 4.155 3.509 5.164 . 0 0 "[ . 1 . 2]" 1
1153 1 62 ARG HG2 1 65 TYR QD . . 4.730 3.527 2.317 4.952 0.222 9 0 "[ . 1 . 2]" 1
1154 1 62 ARG HG3 1 63 GLU H . . 5.280 4.743 3.928 5.259 . 0 0 "[ . 1 . 2]" 1
1155 1 63 GLU H 1 63 GLU QB . . 2.660 2.303 2.103 2.592 . 0 0 "[ . 1 . 2]" 1
1156 1 63 GLU H 1 64 LEU H . . 3.140 2.874 2.568 3.003 . 0 0 "[ . 1 . 2]" 1
1157 1 63 GLU H 1 64 LEU QB . . 5.500 4.810 4.387 5.162 . 0 0 "[ . 1 . 2]" 1
1158 1 63 GLU H 1 64 LEU QD . . 5.500 4.149 3.903 4.489 . 0 0 "[ . 1 . 2]" 1
1159 1 63 GLU H 1 65 TYR H . . 5.230 4.306 3.924 4.592 . 0 0 "[ . 1 . 2]" 1
1160 1 63 GLU HA 1 66 ASP H . . 4.020 3.718 3.233 4.072 0.052 18 0 "[ . 1 . 2]" 1
1161 1 63 GLU HA 1 66 ASP HB2 . . 3.550 3.182 2.375 3.607 0.057 20 0 "[ . 1 . 2]" 1
1162 1 63 GLU HA 1 66 ASP HB3 . . 3.710 3.460 3.009 3.771 0.061 12 0 "[ . 1 . 2]" 1
1163 1 63 GLU QB 1 64 LEU H . . 3.180 2.644 2.343 3.054 . 0 0 "[ . 1 . 2]" 1
1164 1 63 GLU QB 1 64 LEU HA . . 4.590 4.030 3.711 4.485 . 0 0 "[ . 1 . 2]" 1
1165 1 63 GLU QB 1 64 LEU QD . . 4.630 2.568 2.286 3.145 . 0 0 "[ . 1 . 2]" 1
1166 1 63 GLU QB 1 65 TYR H . . 5.490 4.739 4.454 5.132 . 0 0 "[ . 1 . 2]" 1
1167 1 64 LEU H 1 64 LEU QB . . 3.450 2.285 2.144 2.640 . 0 0 "[ . 1 . 2]" 1
1168 1 64 LEU H 1 64 LEU QD . . 4.030 2.439 2.221 2.794 . 0 0 "[ . 1 . 2]" 1
1169 1 64 LEU H 1 65 TYR H . . 3.190 2.488 2.191 2.769 . 0 0 "[ . 1 . 2]" 1
1170 1 64 LEU H 1 66 ASP H . . 4.950 3.983 3.616 4.282 . 0 0 "[ . 1 . 2]" 1
1171 1 64 LEU HA 1 64 LEU QD . . 3.090 2.174 1.911 2.663 . 0 0 "[ . 1 . 2]" 1
1172 1 64 LEU HA 1 64 LEU HG . . 4.010 3.188 2.193 3.731 . 0 0 "[ . 1 . 2]" 1
1173 1 64 LEU HA 1 67 LYS H . . 4.010 3.665 3.361 4.043 0.033 17 0 "[ . 1 . 2]" 1
1174 1 64 LEU HA 1 67 LYS QE . . 5.240 3.776 3.322 4.271 . 0 0 "[ . 1 . 2]" 1
1175 1 64 LEU HA 1 67 LYS HG3 . . 4.450 3.467 2.717 4.502 0.052 6 0 "[ . 1 . 2]" 1
1176 1 64 LEU QB 1 65 TYR H . . 3.490 2.651 2.221 2.890 . 0 0 "[ . 1 . 2]" 1
1177 1 64 LEU QB 1 69 GLY H . . 5.500 3.196 2.885 3.623 . 0 0 "[ . 1 . 2]" 1
1178 1 64 LEU QB 1 69 GLY QA . . 5.130 3.535 1.965 4.147 . 0 0 "[ . 1 . 2]" 1
1179 1 64 LEU QD 1 65 TYR H . . 5.500 3.926 3.794 4.077 . 0 0 "[ . 1 . 2]" 1
1180 1 64 LEU QD 1 67 LYS H . . 5.500 4.848 4.311 5.366 . 0 0 "[ . 1 . 2]" 1
1181 1 64 LEU QD 1 67 LYS QE . . 4.340 3.489 2.557 4.298 . 0 0 "[ . 1 . 2]" 1
1182 1 64 LEU QD 1 69 GLY H . . 5.500 4.234 3.588 4.885 . 0 0 "[ . 1 . 2]" 1
1183 1 64 LEU QD 1 69 GLY QA . . 5.170 4.511 2.138 5.317 0.147 3 0 "[ . 1 . 2]" 1
1184 1 64 LEU HG 1 65 TYR H . . 5.500 5.025 3.816 5.326 . 0 0 "[ . 1 . 2]" 1
1185 1 64 LEU HG 1 69 GLY QA . . 5.430 5.800 3.834 6.467 1.037 3 13 "[ *+** * *1-***. ***2]" 1
1186 1 65 TYR H 1 65 TYR QB . . 3.290 2.112 2.068 2.231 . 0 0 "[ . 1 . 2]" 1
1187 1 65 TYR H 1 65 TYR QD . . 4.420 4.071 3.995 4.180 . 0 0 "[ . 1 . 2]" 1
1188 1 65 TYR H 1 66 ASP H . . 3.350 2.818 2.680 3.051 . 0 0 "[ . 1 . 2]" 1
1189 1 65 TYR H 1 67 LYS H . . 4.820 4.445 4.259 4.621 . 0 0 "[ . 1 . 2]" 1
1190 1 65 TYR H 1 69 GLY H . . 3.860 3.932 3.923 3.946 0.086 7 0 "[ . 1 . 2]" 1
1191 1 65 TYR HA 1 65 TYR QD . . 2.770 2.808 2.666 2.860 0.090 13 0 "[ . 1 . 2]" 1
1192 1 65 TYR HA 1 68 GLY H . . 4.100 3.561 3.021 4.209 0.109 20 0 "[ . 1 . 2]" 1
1193 1 65 TYR HA 1 69 GLY H . . 4.340 2.499 2.077 2.876 . 0 0 "[ . 1 . 2]" 1
1194 1 65 TYR HA 1 69 GLY QA . . 5.480 2.241 1.870 3.829 . 0 0 "[ . 1 . 2]" 1
1195 1 65 TYR QB 1 66 ASP H . . 3.180 2.728 2.455 2.954 . 0 0 "[ . 1 . 2]" 1
1196 1 65 TYR QB 1 69 GLY QA . . 5.500 3.357 2.789 4.929 . 0 0 "[ . 1 . 2]" 1
1197 1 65 TYR QD 1 66 ASP H . . 3.540 3.199 2.608 3.585 0.045 11 0 "[ . 1 . 2]" 1
1198 1 65 TYR QD 1 66 ASP HA . . 3.940 3.390 3.040 3.813 . 0 0 "[ . 1 . 2]" 1
1199 1 65 TYR QD 1 67 LYS H . . 5.500 5.344 5.069 5.567 0.067 7 0 "[ . 1 . 2]" 1
1200 1 65 TYR QD 1 70 GLU H . . 5.500 5.931 3.320 6.972 1.472 7 13 "[** ***+ ***-* . **2]" 1
1201 1 65 TYR QE 1 70 GLU H . . 5.460 7.659 4.526 8.870 3.410 7 18 [******+-******.****2] 1
1202 1 66 ASP H 1 66 ASP HB2 . . 3.060 2.247 2.086 2.413 . 0 0 "[ . 1 . 2]" 1
1203 1 66 ASP H 1 66 ASP HB3 . . 3.370 2.656 2.421 2.928 . 0 0 "[ . 1 . 2]" 1
1204 1 66 ASP H 1 67 LYS H . . 3.310 2.823 2.623 3.000 . 0 0 "[ . 1 . 2]" 1
1205 1 66 ASP H 1 67 LYS QB . . 5.290 5.304 5.139 5.374 0.084 17 0 "[ . 1 . 2]" 1
1206 1 66 ASP H 1 68 GLY H . . 4.990 4.427 3.950 5.140 0.150 12 0 "[ . 1 . 2]" 1
1207 1 66 ASP HA 1 67 LYS HA . . 4.760 4.651 4.575 4.733 . 0 0 "[ . 1 . 2]" 1
1208 1 66 ASP HA 1 68 GLY H . . 4.980 4.671 3.686 5.130 0.150 12 0 "[ . 1 . 2]" 1
1209 1 66 ASP HB2 1 67 LYS H . . 3.750 3.799 3.708 3.836 0.086 16 0 "[ . 1 . 2]" 1
1210 1 66 ASP HB2 1 67 LYS HG2 . . 5.500 4.782 4.242 5.582 0.082 15 0 "[ . 1 . 2]" 1
1211 1 66 ASP HB3 1 67 LYS H . . 4.030 2.673 2.450 2.967 . 0 0 "[ . 1 . 2]" 1
1212 1 66 ASP HB3 1 67 LYS HA . . 4.730 4.631 4.355 4.801 0.071 12 0 "[ . 1 . 2]" 1
1213 1 66 ASP HB3 1 67 LYS HG2 . . 5.280 3.103 2.500 4.084 . 0 0 "[ . 1 . 2]" 1
1214 1 67 LYS H 1 67 LYS QB . . 3.090 3.072 2.846 3.191 0.101 12 0 "[ . 1 . 2]" 1
1215 1 67 LYS H 1 67 LYS HG2 . . 3.760 2.673 2.248 3.226 . 0 0 "[ . 1 . 2]" 1
1216 1 67 LYS H 1 67 LYS HG3 . . 4.770 2.681 2.197 3.517 . 0 0 "[ . 1 . 2]" 1
1217 1 67 LYS H 1 69 GLY H . . 5.030 3.970 3.500 4.588 . 0 0 "[ . 1 . 2]" 1
1218 1 67 LYS HA 1 67 LYS HG2 . . 3.890 3.882 3.773 3.976 0.086 19 0 "[ . 1 . 2]" 1
1219 1 67 LYS HA 1 67 LYS HG3 . . 3.660 3.684 3.582 3.730 0.070 17 0 "[ . 1 . 2]" 1
1220 1 67 LYS QB 1 68 GLY H . . 4.140 4.050 3.828 4.169 0.029 3 0 "[ . 1 . 2]" 1
1221 1 67 LYS QB 1 68 GLY QA . . 4.440 4.337 4.156 4.536 0.096 15 0 "[ . 1 . 2]" 1
1222 1 67 LYS QE 1 68 GLY QA . . 4.710 4.283 3.366 4.815 0.105 13 0 "[ . 1 . 2]" 1
1223 1 68 GLY H 1 68 GLY QA . . 2.760 2.456 2.190 2.543 . 0 0 "[ . 1 . 2]" 1
1224 1 68 GLY H 1 69 GLY H . . 3.310 2.727 2.108 3.275 . 0 0 "[ . 1 . 2]" 1
1225 1 68 GLY H 1 69 GLY QA . . 5.420 3.888 3.509 4.435 . 0 0 "[ . 1 . 2]" 1
1226 1 68 GLY H 1 70 GLU H . . 5.470 4.913 3.465 5.321 . 0 0 "[ . 1 . 2]" 1
1227 1 68 GLY QA 1 69 GLY H . . 3.550 2.537 2.307 2.889 . 0 0 "[ . 1 . 2]" 1
1228 1 69 GLY H 1 70 GLU HB3 . . 5.440 5.701 4.869 6.433 0.993 1 7 "[+* *- * 1 . **]" 1
1229 1 69 GLY H 1 71 GLN H . . 4.700 4.148 3.517 4.767 0.067 18 0 "[ . 1 . 2]" 1
1230 1 69 GLY QA 1 70 GLU H . . 3.130 2.913 2.603 3.096 . 0 0 "[ . 1 . 2]" 1
1231 1 69 GLY QA 1 70 GLU HB3 . . 5.390 4.809 3.904 5.471 0.081 2 0 "[ . 1 . 2]" 1
1232 1 69 GLY QA 1 71 GLN H . . 5.420 3.852 3.071 4.479 . 0 0 "[ . 1 . 2]" 1
1233 1 70 GLU H 1 70 GLU HB2 . . 3.890 2.991 1.952 3.998 0.108 15 0 "[ . 1 . 2]" 1
1234 1 70 GLU H 1 70 GLU HB3 . . 3.360 3.018 2.490 3.490 0.130 15 0 "[ . 1 . 2]" 1
1235 1 70 GLU H 1 70 GLU QG . . 4.720 3.800 1.912 4.529 . 0 0 "[ . 1 . 2]" 1
1236 1 70 GLU H 1 71 GLN H . . 3.570 2.406 1.625 3.425 . 0 0 "[ . 1 . 2]" 1
1237 1 70 GLU H 1 71 GLN QG . . 4.190 3.939 2.854 4.361 0.171 13 0 "[ . 1 . 2]" 1
1238 1 70 GLU HA 1 71 GLN H . . 2.990 2.883 2.322 3.096 0.106 16 0 "[ . 1 . 2]" 1
1239 1 70 GLU HA 1 71 GLN QG . . 5.430 4.102 2.891 5.306 . 0 0 "[ . 1 . 2]" 1
1240 1 70 GLU HB2 1 70 GLU QG . . 2.550 2.319 2.121 2.485 . 0 0 "[ . 1 . 2]" 1
1241 1 70 GLU HB2 1 71 GLN H . . 4.220 4.412 4.131 4.595 0.375 9 0 "[ . 1 . 2]" 1
1242 1 70 GLU HB3 1 70 GLU QG . . 2.780 2.368 2.170 2.582 . 0 0 "[ . 1 . 2]" 1
1243 1 70 GLU QG 1 71 GLN H . . 5.500 4.402 3.186 4.897 . 0 0 "[ . 1 . 2]" 1
1244 1 71 GLN H 1 71 GLN QB . . 3.730 3.178 2.592 3.562 . 0 0 "[ . 1 . 2]" 1
1245 1 71 GLN H 1 71 GLN QG . . 4.110 2.960 2.106 3.561 . 0 0 "[ . 1 . 2]" 1
1246 1 71 GLN HA 1 71 GLN HE21 . . 5.500 4.851 3.914 5.579 0.079 14 0 "[ . 1 . 2]" 1
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