NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476926 |
2l1s   |
17104 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1s
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 1589
_Distance_constraint_stats_list.Viol_count 2953
_Distance_constraint_stats_list.Viol_total 4551.710
_Distance_constraint_stats_list.Viol_max 0.931
_Distance_constraint_stats_list.Viol_rms 0.0318
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0771
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.806 0.587 5 1 "[ + 1 . 2]"
1 4 GLY 6.244 0.158 19 0 "[ . 1 . 2]"
1 5 ILE 10.357 0.386 1 0 "[ . 1 . 2]"
1 6 ASP 7.896 0.351 16 0 "[ . 1 . 2]"
1 7 GLN 10.149 0.599 17 2 "[ - 1 . + 2]"
1 8 TYR 7.196 0.233 14 0 "[ . 1 . 2]"
1 9 ALA 6.255 0.351 16 0 "[ . 1 . 2]"
1 10 LEU 9.404 0.780 17 1 "[ . 1 . + 2]"
1 11 LYS 17.096 0.780 17 1 "[ . 1 . + 2]"
1 12 GLU 4.054 0.110 15 0 "[ . 1 . 2]"
1 13 PHE 7.607 0.157 15 0 "[ . 1 . 2]"
1 14 THR 6.154 0.335 15 0 "[ . 1 . 2]"
1 15 ALA 1.697 0.099 5 0 "[ . 1 . 2]"
1 16 ASP 3.447 0.123 16 0 "[ . 1 . 2]"
1 17 PHE 2.250 0.123 16 0 "[ . 1 . 2]"
1 18 THR 2.608 0.085 13 0 "[ . 1 . 2]"
1 19 GLN 4.252 0.108 13 0 "[ . 1 . 2]"
1 20 PHE 8.023 0.104 20 0 "[ . 1 . 2]"
1 21 HIS 4.071 0.088 5 0 "[ . 1 . 2]"
1 22 ILE 8.836 0.345 11 0 "[ . 1 . 2]"
1 23 GLY 6.751 0.559 16 2 "[ .- 1 .+ 2]"
1 24 ASP 1.487 0.082 3 0 "[ . 1 . 2]"
1 25 THR 8.170 0.124 12 0 "[ . 1 . 2]"
1 26 VAL 6.139 0.111 3 0 "[ . 1 . 2]"
1 27 PRO 5.415 0.123 11 0 "[ . 1 . 2]"
1 28 ALA 4.076 0.086 19 0 "[ . 1 . 2]"
1 29 MET 5.696 0.404 7 0 "[ . 1 . 2]"
1 30 TYR 6.893 0.141 16 0 "[ . 1 . 2]"
1 31 LEU 1.752 0.084 7 0 "[ . 1 . 2]"
1 32 THR 4.205 0.135 3 0 "[ . 1 . 2]"
1 33 PRO 2.743 0.135 3 0 "[ . 1 . 2]"
1 34 GLU 2.203 0.111 13 0 "[ . 1 . 2]"
1 35 TYR 2.285 0.274 11 0 "[ . 1 . 2]"
1 36 ASN 2.873 0.214 3 0 "[ . 1 . 2]"
1 37 ILE 7.938 0.514 3 1 "[ + . 1 . 2]"
1 38 LYS 1.393 0.107 12 0 "[ . 1 . 2]"
1 39 GLN 0.714 0.359 18 0 "[ . 1 . 2]"
1 40 TRP 4.669 0.857 16 1 "[ . 1 .+ 2]"
1 41 GLN 1.111 0.857 16 1 "[ . 1 .+ 2]"
1 42 GLN 5.717 0.931 2 2 "[ + . - . 2]"
1 43 ARG 4.138 0.931 2 3 "[ +- . * . 2]"
1 44 ASN 0.403 0.085 12 0 "[ . 1 . 2]"
1 45 LEU 3.726 0.091 11 0 "[ . 1 . 2]"
1 46 PRO 6.940 0.217 17 0 "[ . 1 . 2]"
1 47 ALA 1.638 0.102 12 0 "[ . 1 . 2]"
1 48 PRO 1.821 0.292 18 0 "[ . 1 . 2]"
1 49 ASP 2.454 0.120 13 0 "[ . 1 . 2]"
1 50 ALA 2.970 0.120 13 0 "[ . 1 . 2]"
1 51 GLY 1.051 0.205 9 0 "[ . 1 . 2]"
1 52 SER 1.961 0.084 17 0 "[ . 1 . 2]"
1 53 HIS 6.424 0.311 8 0 "[ . 1 . 2]"
1 54 TRP 11.848 0.421 13 0 "[ . 1 . 2]"
1 55 THR 5.282 0.141 16 0 "[ . 1 . 2]"
1 56 TYR 10.694 0.387 20 0 "[ . 1 . 2]"
1 57 MET 0.906 0.089 10 0 "[ . 1 . 2]"
1 58 GLY 4.241 0.377 1 0 "[ . 1 . 2]"
1 59 GLY 3.238 0.377 1 0 "[ . 1 . 2]"
1 60 ASN 7.761 0.605 15 2 "[ . 1 + -2]"
1 61 TYR 8.396 0.849 17 1 "[ . 1 . + 2]"
1 62 VAL 2.458 0.114 3 0 "[ . 1 . 2]"
1 63 LEU 8.573 0.311 8 0 "[ . 1 . 2]"
1 64 ILE 3.750 0.096 3 0 "[ . 1 . 2]"
1 65 THR 5.194 0.150 19 0 "[ . 1 . 2]"
1 66 ASP 5.705 0.280 14 0 "[ . 1 . 2]"
1 67 THR 6.283 0.811 20 1 "[ . 1 . +]"
1 68 GLU 8.229 0.811 20 3 "[ . 1-* . +]"
1 69 GLY 1.327 0.316 20 0 "[ . 1 . 2]"
1 70 LYS 9.336 0.757 12 4 "[ .- 1*+ .* 2]"
1 71 ILE 5.109 0.123 13 0 "[ . 1 . 2]"
1 72 LEU 3.736 0.102 11 0 "[ . 1 . 2]"
1 73 LYS 5.278 0.280 7 0 "[ . 1 . 2]"
1 74 VAL 2.622 0.280 7 0 "[ . 1 . 2]"
1 75 TYR 15.002 0.849 17 4 "[ . 1 * +*-2]"
1 76 ASP 1.670 0.152 17 0 "[ . 1 . 2]"
1 77 GLY 5.513 0.112 18 0 "[ . 1 . 2]"
1 78 GLU 3.230 0.554 10 2 "[ - . + . 2]"
1 79 ILE 7.743 0.749 18 1 "[ . 1 . + 2]"
1 80 PHE 1.733 0.089 20 0 "[ . 1 . 2]"
1 81 TYR 5.244 0.554 10 2 "[ - . + . 2]"
1 82 HIS 3.583 0.227 18 0 "[ . 1 . 2]"
1 83 ARG 5.313 0.471 10 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 ALA HA 1 3 ALA H . . 3.090 2.532 2.184 2.972 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 ALA H . . 4.490 2.867 1.968 3.761 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA H 1 3 ALA MB . . 3.510 2.600 2.226 2.861 . 0 0 "[ . 1 . 2]" 1
4 1 3 ALA HA 1 4 GLY H . . 3.180 2.693 2.166 3.258 0.078 7 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 7 GLN HE21 . . 5.500 3.811 2.856 6.087 0.587 5 1 "[ + 1 . 2]" 1
6 1 3 ALA MB 1 4 GLY H . . 4.550 3.661 3.248 3.814 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLY H 1 5 ILE H . . 4.140 3.799 3.037 4.221 0.081 4 0 "[ . 1 . 2]" 1
8 1 4 GLY H 1 5 ILE HA . . 5.320 4.995 4.291 5.377 0.057 16 0 "[ . 1 . 2]" 1
9 1 4 GLY H 1 5 ILE MG . . 5.500 5.287 4.786 5.566 0.066 11 0 "[ . 1 . 2]" 1
10 1 4 GLY H 1 6 ASP H . . 3.900 3.846 3.538 3.976 0.076 10 0 "[ . 1 . 2]" 1
11 1 4 GLY H 1 6 ASP HB3 . . 5.500 4.570 3.583 5.331 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLY H 1 7 GLN HE21 . . 5.230 3.616 2.482 4.869 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLY H 1 7 GLN HE22 . . 5.020 4.078 2.441 4.818 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLY QA 1 5 ILE H . . 2.690 2.154 2.010 2.253 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLY QA 1 5 ILE HA . . 3.920 3.913 3.775 4.016 0.096 18 0 "[ . 1 . 2]" 1
16 1 4 GLY QA 1 5 ILE HB . . 5.160 5.189 5.012 5.248 0.088 14 0 "[ . 1 . 2]" 1
17 1 4 GLY QA 1 5 ILE HG12 . . 4.310 3.898 3.268 4.370 0.060 1 0 "[ . 1 . 2]" 1
18 1 4 GLY QA 1 5 ILE MG . . 4.290 3.278 2.967 3.506 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLY QA 1 6 ASP H . . 3.620 3.456 3.062 3.673 0.053 20 0 "[ . 1 . 2]" 1
20 1 4 GLY QA 1 6 ASP HB2 . . 4.940 4.791 3.852 5.098 0.158 19 0 "[ . 1 . 2]" 1
21 1 4 GLY QA 1 7 GLN HE21 . . 5.500 3.743 2.835 4.882 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLY QA 1 7 GLN HE22 . . 4.800 4.295 3.410 4.881 0.081 12 0 "[ . 1 . 2]" 1
23 1 4 GLY QA 1 7 GLN HG2 . . 5.320 4.938 4.412 5.328 0.008 18 0 "[ . 1 . 2]" 1
24 1 4 GLY QA 1 79 ILE MD . . 5.500 5.582 5.383 5.625 0.125 12 0 "[ . 1 . 2]" 1
25 1 5 ILE H 1 5 ILE HB . . 3.900 3.670 3.531 3.903 0.003 17 0 "[ . 1 . 2]" 1
26 1 5 ILE H 1 5 ILE MD . . 4.290 3.838 3.438 4.124 . 0 0 "[ . 1 . 2]" 1
27 1 5 ILE H 1 5 ILE HG12 . . 3.290 2.407 2.024 3.350 0.060 1 0 "[ . 1 . 2]" 1
28 1 5 ILE H 1 5 ILE HG13 . . 3.670 3.181 1.933 3.700 0.030 11 0 "[ . 1 . 2]" 1
29 1 5 ILE H 1 5 ILE MG . . 3.370 2.412 1.942 3.182 . 0 0 "[ . 1 . 2]" 1
30 1 5 ILE H 1 6 ASP H . . 2.960 2.441 1.709 3.045 0.085 5 0 "[ . 1 . 2]" 1
31 1 5 ILE H 1 6 ASP HB2 . . 5.060 4.282 3.679 5.071 0.011 5 0 "[ . 1 . 2]" 1
32 1 5 ILE H 1 7 GLN HE21 . . 5.500 4.596 4.151 5.886 0.386 1 0 "[ . 1 . 2]" 1
33 1 5 ILE HA 1 5 ILE MD . . 4.510 4.172 3.833 4.257 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE HA 1 5 ILE HG12 . . 4.240 3.888 3.809 4.246 0.006 1 0 "[ . 1 . 2]" 1
35 1 5 ILE HA 1 5 ILE MG . . 3.200 2.334 2.209 2.440 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE HA 1 7 GLN H . . 4.310 3.824 3.578 4.067 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 1 7 GLN HB3 . . 5.470 5.436 5.180 5.547 0.077 8 0 "[ . 1 . 2]" 1
38 1 5 ILE HA 1 7 GLN HE22 . . 5.040 5.005 4.278 5.184 0.144 15 0 "[ . 1 . 2]" 1
39 1 5 ILE HA 1 7 GLN HG2 . . 4.440 3.154 2.848 3.279 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE HA 1 7 GLN HG3 . . 4.550 4.518 4.084 4.625 0.075 14 0 "[ . 1 . 2]" 1
41 1 5 ILE HA 1 8 TYR H . . 4.290 3.650 3.387 3.833 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE HA 1 8 TYR HB2 . . 5.480 3.992 3.613 4.241 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE HA 1 8 TYR QD . . 2.940 2.179 2.023 2.518 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE HA 1 8 TYR QE . . 3.720 3.089 2.667 3.799 0.079 18 0 "[ . 1 . 2]" 1
45 1 5 ILE HA 1 79 ILE MD . . 4.880 2.955 2.756 3.246 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE HB 1 5 ILE MD . . 3.060 2.320 2.190 2.434 . 0 0 "[ . 1 . 2]" 1
47 1 5 ILE HB 1 6 ASP H . . 4.440 4.148 3.918 4.376 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE HB 1 8 TYR HB2 . . 5.450 3.994 3.736 4.437 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE HB 1 8 TYR QD . . 4.130 3.325 3.057 3.606 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE HB 1 75 TYR QD . . 3.960 3.585 3.272 3.915 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE HB 1 79 ILE MD . . 3.580 2.052 1.920 2.272 . 0 0 "[ . 1 . 2]" 1
52 1 5 ILE MD 1 5 ILE MG . . 3.230 2.158 2.066 3.117 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE MD 1 6 ASP H . . 4.960 4.369 3.048 4.767 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE MD 1 8 TYR QD . . 5.080 5.084 4.826 5.187 0.107 8 0 "[ . 1 . 2]" 1
55 1 5 ILE MD 1 45 LEU QD . . 4.940 3.591 2.659 4.355 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE MD 1 46 PRO HB2 . . 4.970 4.612 3.835 5.081 0.111 12 0 "[ . 1 . 2]" 1
57 1 5 ILE MD 1 46 PRO HB3 . . 4.140 3.407 2.364 3.991 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE MD 1 46 PRO HD2 . . 4.240 3.469 3.236 3.929 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE MD 1 46 PRO HG3 . . 4.030 2.891 2.171 3.224 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE MD 1 75 TYR QD . . 4.670 3.928 3.731 4.121 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE MD 1 75 TYR QE . . 3.560 2.858 2.162 2.953 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE MD 1 79 ILE MD . . 3.720 3.019 2.580 3.493 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE HG12 1 5 ILE MG . . 3.200 2.386 2.195 2.482 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE HG12 1 6 ASP H . . 4.290 3.347 3.080 4.349 0.059 1 0 "[ . 1 . 2]" 1
65 1 5 ILE HG12 1 6 ASP HB2 . . 5.500 4.474 4.095 5.391 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE HG12 1 75 TYR QE . . 5.080 4.383 3.961 4.739 . 0 0 "[ . 1 . 2]" 1
67 1 5 ILE HG13 1 5 ILE MG . . 3.690 3.222 2.749 3.267 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE HG13 1 6 ASP H . . 3.880 2.951 2.473 3.441 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE HG13 1 6 ASP HB3 . . 5.500 5.068 4.510 5.557 0.057 6 0 "[ . 1 . 2]" 1
70 1 5 ILE HG13 1 75 TYR QE . . 4.800 2.818 2.275 4.461 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE MG 1 6 ASP H . . 4.760 4.137 4.028 4.269 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE MG 1 6 ASP HA . . 5.500 5.503 5.370 5.589 0.089 11 0 "[ . 1 . 2]" 1
73 1 5 ILE MG 1 8 TYR QD . . 3.510 3.515 3.265 3.633 0.123 18 0 "[ . 1 . 2]" 1
74 1 5 ILE MG 1 46 PRO HG3 . . 5.500 5.315 4.416 5.595 0.095 15 0 "[ . 1 . 2]" 1
75 1 5 ILE MG 1 75 TYR QE . . 4.450 4.468 4.233 4.565 0.115 20 0 "[ . 1 . 2]" 1
76 1 5 ILE MG 1 79 ILE MD . . 3.290 2.145 2.056 2.383 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE MG 1 82 HIS HB2 . . 5.500 5.118 4.437 5.583 0.083 10 0 "[ . 1 . 2]" 1
78 1 5 ILE MG 1 82 HIS HD2 . . 3.950 3.202 2.253 4.042 0.092 20 0 "[ . 1 . 2]" 1
79 1 6 ASP H 1 6 ASP HB2 . . 3.030 2.203 1.973 2.367 . 0 0 "[ . 1 . 2]" 1
80 1 6 ASP H 1 6 ASP HB3 . . 3.230 2.652 2.311 3.272 0.042 5 0 "[ . 1 . 2]" 1
81 1 6 ASP H 1 7 GLN H . . 3.180 2.726 2.548 2.893 . 0 0 "[ . 1 . 2]" 1
82 1 6 ASP H 1 7 GLN HB3 . . 5.500 4.892 4.700 5.081 . 0 0 "[ . 1 . 2]" 1
83 1 6 ASP H 1 7 GLN HG2 . . 5.030 4.140 3.901 4.511 . 0 0 "[ . 1 . 2]" 1
84 1 6 ASP H 1 8 TYR QD . . 5.500 4.988 4.761 5.226 . 0 0 "[ . 1 . 2]" 1
85 1 6 ASP H 1 9 ALA H . . 5.500 5.231 5.050 5.524 0.024 16 0 "[ . 1 . 2]" 1
86 1 6 ASP H 1 75 TYR QE . . 4.980 4.392 3.931 4.790 . 0 0 "[ . 1 . 2]" 1
87 1 6 ASP HA 1 6 ASP HB2 . . 2.960 2.553 2.426 2.819 . 0 0 "[ . 1 . 2]" 1
88 1 6 ASP HA 1 8 TYR H . . 5.350 3.786 3.536 3.982 . 0 0 "[ . 1 . 2]" 1
89 1 6 ASP HA 1 9 ALA H . . 4.430 3.271 3.028 3.624 . 0 0 "[ . 1 . 2]" 1
90 1 6 ASP HA 1 9 ALA MB . . 3.620 2.354 2.093 2.642 . 0 0 "[ . 1 . 2]" 1
91 1 6 ASP HA 1 75 TYR QE . . 3.560 2.870 2.092 3.334 . 0 0 "[ . 1 . 2]" 1
92 1 6 ASP HB2 1 7 GLN H . . 3.850 3.876 3.522 4.096 0.246 16 0 "[ . 1 . 2]" 1
93 1 6 ASP HB2 1 8 TYR H . . 5.500 5.540 5.387 5.733 0.233 14 0 "[ . 1 . 2]" 1
94 1 6 ASP HB2 1 9 ALA H . . 5.500 5.590 5.492 5.851 0.351 16 0 "[ . 1 . 2]" 1
95 1 6 ASP HB2 1 9 ALA MB . . 4.670 4.400 4.184 4.745 0.075 6 0 "[ . 1 . 2]" 1
96 1 6 ASP HB2 1 75 TYR QE . . 5.390 4.928 3.976 5.476 0.086 6 0 "[ . 1 . 2]" 1
97 1 6 ASP HB3 1 7 GLN H . . 4.030 2.939 2.679 3.256 . 0 0 "[ . 1 . 2]" 1
98 1 6 ASP HB3 1 9 ALA MB . . 4.610 4.608 4.116 4.768 0.158 16 0 "[ . 1 . 2]" 1
99 1 7 GLN H 1 7 GLN HB2 . . 3.570 3.547 3.495 3.619 0.049 11 0 "[ . 1 . 2]" 1
100 1 7 GLN H 1 7 GLN HB3 . . 3.500 2.394 2.292 2.506 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLN H 1 7 GLN HE21 . . 5.500 3.692 3.168 4.825 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLN H 1 7 GLN HE22 . . 4.760 4.935 4.805 5.359 0.599 17 1 "[ . 1 . + 2]" 1
103 1 7 GLN H 1 7 GLN HG2 . . 3.080 2.212 2.107 2.383 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLN H 1 7 GLN HG3 . . 4.360 3.575 3.447 3.753 . 0 0 "[ . 1 . 2]" 1
105 1 7 GLN H 1 8 TYR H . . 3.320 2.744 2.601 2.880 . 0 0 "[ . 1 . 2]" 1
106 1 7 GLN H 1 8 TYR QE . . 5.500 5.163 4.874 5.460 . 0 0 "[ . 1 . 2]" 1
107 1 7 GLN H 1 9 ALA H . . 4.680 4.097 3.997 4.212 . 0 0 "[ . 1 . 2]" 1
108 1 7 GLN H 1 9 ALA MB . . 5.500 4.726 4.588 4.896 . 0 0 "[ . 1 . 2]" 1
109 1 7 GLN HA 1 7 GLN HB2 . . 2.880 2.415 2.364 2.469 . 0 0 "[ . 1 . 2]" 1
110 1 7 GLN HA 1 7 GLN HB3 . . 2.820 2.479 2.404 2.519 . 0 0 "[ . 1 . 2]" 1
111 1 7 GLN HA 1 7 GLN HG2 . . 4.020 3.750 3.674 3.812 . 0 0 "[ . 1 . 2]" 1
112 1 7 GLN HA 1 9 ALA H . . 4.270 3.882 3.747 3.962 . 0 0 "[ . 1 . 2]" 1
113 1 7 GLN HA 1 9 ALA MB . . 5.500 4.836 4.547 5.112 . 0 0 "[ . 1 . 2]" 1
114 1 7 GLN HB2 1 7 GLN HE22 . . 4.780 4.718 4.527 4.910 0.130 15 0 "[ . 1 . 2]" 1
115 1 7 GLN HB2 1 8 TYR H . . 4.720 4.114 3.958 4.271 . 0 0 "[ . 1 . 2]" 1
116 1 7 GLN HB3 1 7 GLN HE22 . . 4.710 4.076 3.826 4.394 . 0 0 "[ . 1 . 2]" 1
117 1 7 GLN HB3 1 8 TYR H . . 4.560 4.121 3.948 4.235 . 0 0 "[ . 1 . 2]" 1
118 1 7 GLN HB3 1 8 TYR QE . . 5.430 5.357 5.179 5.499 0.069 20 0 "[ . 1 . 2]" 1
119 1 7 GLN HE22 1 7 GLN HG2 . . 3.500 3.537 3.461 3.923 0.423 1 0 "[ . 1 . 2]" 1
120 1 7 GLN HG2 1 8 TYR H . . 4.000 2.580 2.353 2.846 . 0 0 "[ . 1 . 2]" 1
121 1 7 GLN HG2 1 8 TYR QD . . 4.150 3.016 2.631 3.378 . 0 0 "[ . 1 . 2]" 1
122 1 7 GLN HG2 1 9 ALA H . . 5.280 4.843 4.687 5.163 . 0 0 "[ . 1 . 2]" 1
123 1 7 GLN HG3 1 8 TYR H . . 4.540 3.068 2.797 3.571 . 0 0 "[ . 1 . 2]" 1
124 1 7 GLN HG3 1 8 TYR HA . . 5.500 3.908 3.623 4.651 . 0 0 "[ . 1 . 2]" 1
125 1 7 GLN HG3 1 8 TYR QE . . 5.050 3.229 2.807 3.384 . 0 0 "[ . 1 . 2]" 1
126 1 8 TYR H 1 8 TYR HB2 . . 3.540 2.580 2.326 2.753 . 0 0 "[ . 1 . 2]" 1
127 1 8 TYR H 1 8 TYR HB3 . . 4.050 3.674 3.574 3.778 . 0 0 "[ . 1 . 2]" 1
128 1 8 TYR H 1 8 TYR QD . . 3.390 2.858 2.609 3.119 . 0 0 "[ . 1 . 2]" 1
129 1 8 TYR H 1 8 TYR QE . . 4.470 4.527 4.433 4.567 0.097 18 0 "[ . 1 . 2]" 1
130 1 8 TYR H 1 9 ALA H . . 2.900 2.430 2.242 2.601 . 0 0 "[ . 1 . 2]" 1
131 1 8 TYR H 1 9 ALA HA . . 4.780 4.721 4.550 4.854 0.074 18 0 "[ . 1 . 2]" 1
132 1 8 TYR H 1 9 ALA MB . . 4.400 3.917 3.705 4.101 . 0 0 "[ . 1 . 2]" 1
133 1 8 TYR H 1 75 TYR QD . . 4.410 3.640 3.220 3.871 . 0 0 "[ . 1 . 2]" 1
134 1 8 TYR H 1 75 TYR QE . . 4.410 4.103 3.532 4.490 0.080 3 0 "[ . 1 . 2]" 1
135 1 8 TYR H 1 79 ILE MD . . 5.500 4.171 3.712 4.413 . 0 0 "[ . 1 . 2]" 1
136 1 8 TYR HA 1 8 TYR QD . . 2.990 2.705 2.499 3.055 0.065 13 0 "[ . 1 . 2]" 1
137 1 8 TYR HA 1 76 ASP HB2 . . 4.180 3.718 3.192 4.206 0.026 17 0 "[ . 1 . 2]" 1
138 1 8 TYR HA 1 76 ASP HB3 . . 4.430 3.540 3.137 4.058 . 0 0 "[ . 1 . 2]" 1
139 1 8 TYR HA 1 78 GLU QB . . 5.250 4.821 4.299 5.326 0.076 16 0 "[ . 1 . 2]" 1
140 1 8 TYR HB2 1 9 ALA H . . 4.490 3.691 3.577 3.863 . 0 0 "[ . 1 . 2]" 1
141 1 8 TYR HB2 1 75 TYR QD . . 3.140 2.179 2.014 2.326 . 0 0 "[ . 1 . 2]" 1
142 1 8 TYR HB2 1 76 ASP H . . 4.670 3.475 3.126 4.269 . 0 0 "[ . 1 . 2]" 1
143 1 8 TYR HB2 1 76 ASP HB3 . . 4.660 4.375 4.091 4.720 0.060 18 0 "[ . 1 . 2]" 1
144 1 8 TYR HB2 1 79 ILE HB . . 4.470 3.011 2.646 3.476 . 0 0 "[ . 1 . 2]" 1
145 1 8 TYR HB2 1 79 ILE MD . . 4.420 2.553 2.143 3.130 . 0 0 "[ . 1 . 2]" 1
146 1 8 TYR HB2 1 79 ILE MG . . 5.500 4.109 3.917 4.298 . 0 0 "[ . 1 . 2]" 1
147 1 8 TYR HB3 1 9 ALA H . . 5.140 4.462 4.370 4.563 . 0 0 "[ . 1 . 2]" 1
148 1 8 TYR HB3 1 75 TYR HB3 . . 5.500 3.262 2.707 3.694 . 0 0 "[ . 1 . 2]" 1
149 1 8 TYR HB3 1 75 TYR QD . . 3.640 3.322 2.724 3.664 0.024 5 0 "[ . 1 . 2]" 1
150 1 8 TYR HB3 1 76 ASP H . . 4.060 2.301 1.989 2.843 . 0 0 "[ . 1 . 2]" 1
151 1 8 TYR HB3 1 76 ASP HB2 . . 4.040 3.496 3.020 4.092 0.052 18 0 "[ . 1 . 2]" 1
152 1 8 TYR HB3 1 76 ASP HB3 . . 3.880 2.639 2.358 2.981 . 0 0 "[ . 1 . 2]" 1
153 1 8 TYR HB3 1 79 ILE H . . 4.980 3.804 3.420 4.235 . 0 0 "[ . 1 . 2]" 1
154 1 8 TYR HB3 1 79 ILE HB . . 4.360 2.956 2.394 3.513 . 0 0 "[ . 1 . 2]" 1
155 1 8 TYR HB3 1 79 ILE MD . . 4.930 3.646 3.049 4.137 . 0 0 "[ . 1 . 2]" 1
156 1 8 TYR HB3 1 79 ILE MG . . 5.410 4.004 3.572 4.216 . 0 0 "[ . 1 . 2]" 1
157 1 8 TYR QD 1 9 ALA H . . 5.330 4.727 4.523 4.907 . 0 0 "[ . 1 . 2]" 1
158 1 8 TYR QD 1 76 ASP H . . 4.280 4.173 3.618 4.377 0.097 13 0 "[ . 1 . 2]" 1
159 1 8 TYR QD 1 76 ASP HB2 . . 4.170 3.956 3.604 4.241 0.071 1 0 "[ . 1 . 2]" 1
160 1 8 TYR QD 1 76 ASP HB3 . . 3.190 2.701 2.240 3.086 . 0 0 "[ . 1 . 2]" 1
161 1 8 TYR QD 1 78 GLU H . . 5.500 4.309 4.028 4.586 . 0 0 "[ . 1 . 2]" 1
162 1 8 TYR QD 1 78 GLU QB . . 3.130 2.469 2.177 2.848 . 0 0 "[ . 1 . 2]" 1
163 1 8 TYR QD 1 79 ILE H . . 4.320 3.798 3.352 4.058 . 0 0 "[ . 1 . 2]" 1
164 1 8 TYR QD 1 79 ILE HB . . 4.100 3.076 2.829 3.373 . 0 0 "[ . 1 . 2]" 1
165 1 8 TYR QD 1 79 ILE MD . . 3.590 2.365 2.108 2.850 . 0 0 "[ . 1 . 2]" 1
166 1 8 TYR QD 1 79 ILE HG12 . . 5.030 4.287 3.905 4.711 . 0 0 "[ . 1 . 2]" 1
167 1 8 TYR QD 1 79 ILE HG13 . . 3.410 2.774 2.289 3.300 . 0 0 "[ . 1 . 2]" 1
168 1 8 TYR QE 1 78 GLU H . . 5.320 5.057 4.534 5.396 0.076 11 0 "[ . 1 . 2]" 1
169 1 8 TYR QE 1 78 GLU QB . . 3.020 2.267 2.052 2.495 . 0 0 "[ . 1 . 2]" 1
170 1 8 TYR QE 1 79 ILE H . . 4.470 4.384 4.093 4.549 0.079 19 0 "[ . 1 . 2]" 1
171 1 8 TYR QE 1 79 ILE HB . . 5.350 4.144 3.671 4.505 . 0 0 "[ . 1 . 2]" 1
172 1 8 TYR QE 1 79 ILE MD . . 4.510 3.907 3.283 4.326 . 0 0 "[ . 1 . 2]" 1
173 1 8 TYR QE 1 79 ILE HG13 . . 3.700 3.066 2.639 3.436 . 0 0 "[ . 1 . 2]" 1
174 1 8 TYR QE 1 82 HIS HB2 . . 4.280 3.070 2.661 3.979 . 0 0 "[ . 1 . 2]" 1
175 1 8 TYR QE 1 82 HIS HD2 . . 4.330 3.766 2.751 4.416 0.086 13 0 "[ . 1 . 2]" 1
176 1 9 ALA H 1 9 ALA MB . . 2.860 2.269 2.214 2.345 . 0 0 "[ . 1 . 2]" 1
177 1 9 ALA H 1 10 LEU H . . 4.300 4.239 4.057 4.383 0.083 18 0 "[ . 1 . 2]" 1
178 1 9 ALA H 1 75 TYR HA . . 5.060 4.777 4.347 5.056 . 0 0 "[ . 1 . 2]" 1
179 1 9 ALA H 1 75 TYR QD . . 4.600 3.568 3.061 3.905 . 0 0 "[ . 1 . 2]" 1
180 1 9 ALA H 1 75 TYR QE . . 4.260 3.702 3.098 4.052 . 0 0 "[ . 1 . 2]" 1
181 1 9 ALA H 1 76 ASP H . . 5.490 5.110 4.872 5.328 . 0 0 "[ . 1 . 2]" 1
182 1 9 ALA HA 1 10 LEU H . . 2.780 2.169 2.023 2.221 . 0 0 "[ . 1 . 2]" 1
183 1 9 ALA HA 1 10 LEU HA . . 4.450 4.474 4.271 4.522 0.072 3 0 "[ . 1 . 2]" 1
184 1 9 ALA HA 1 10 LEU HB2 . . 5.150 4.637 4.399 5.063 . 0 0 "[ . 1 . 2]" 1
185 1 9 ALA HA 1 10 LEU QD . . 5.500 4.331 2.963 4.795 . 0 0 "[ . 1 . 2]" 1
186 1 9 ALA HA 1 10 LEU HG . . 4.750 4.416 4.102 4.834 0.084 18 0 "[ . 1 . 2]" 1
187 1 9 ALA HA 1 74 VAL HB . . 5.500 5.052 4.587 5.464 . 0 0 "[ . 1 . 2]" 1
188 1 9 ALA HA 1 75 TYR HB2 . . 5.330 5.217 4.880 5.545 0.215 3 0 "[ . 1 . 2]" 1
189 1 9 ALA HA 1 75 TYR QD . . 3.510 2.943 2.662 3.274 . 0 0 "[ . 1 . 2]" 1
190 1 9 ALA HA 1 75 TYR QE . . 3.820 3.452 2.824 3.889 0.069 17 0 "[ . 1 . 2]" 1
191 1 9 ALA HA 1 76 ASP H . . 4.700 4.261 3.878 4.615 . 0 0 "[ . 1 . 2]" 1
192 1 9 ALA MB 1 10 LEU H . . 3.490 3.499 3.184 3.586 0.096 10 0 "[ . 1 . 2]" 1
193 1 9 ALA MB 1 10 LEU QD . . 5.500 4.691 4.052 5.110 . 0 0 "[ . 1 . 2]" 1
194 1 9 ALA MB 1 75 TYR QD . . 3.660 3.363 2.911 3.738 0.078 9 0 "[ . 1 . 2]" 1
195 1 9 ALA MB 1 75 TYR QE . . 2.910 2.298 2.132 2.605 . 0 0 "[ . 1 . 2]" 1
196 1 10 LEU H 1 10 LEU HB2 . . 3.470 2.502 2.265 3.045 . 0 0 "[ . 1 . 2]" 1
197 1 10 LEU H 1 10 LEU HB3 . . 3.910 3.650 3.551 3.875 . 0 0 "[ . 1 . 2]" 1
198 1 10 LEU H 1 10 LEU QD . . 4.100 3.040 1.714 3.436 . 0 0 "[ . 1 . 2]" 1
199 1 10 LEU H 1 10 LEU HG . . 3.990 2.718 2.414 3.444 . 0 0 "[ . 1 . 2]" 1
200 1 10 LEU H 1 11 LYS H . . 4.800 4.531 4.220 4.660 . 0 0 "[ . 1 . 2]" 1
201 1 10 LEU H 1 11 LYS HA . . 5.130 5.195 5.036 5.218 0.088 10 0 "[ . 1 . 2]" 1
202 1 10 LEU H 1 74 VAL H . . 4.610 4.502 3.925 4.687 0.077 6 0 "[ . 1 . 2]" 1
203 1 10 LEU H 1 74 VAL HB . . 3.940 3.673 3.303 4.039 0.099 17 0 "[ . 1 . 2]" 1
204 1 10 LEU H 1 74 VAL QG . . 4.250 3.228 1.720 3.669 . 0 0 "[ . 1 . 2]" 1
205 1 10 LEU H 1 75 TYR H . . 5.360 4.774 4.424 5.009 . 0 0 "[ . 1 . 2]" 1
206 1 10 LEU H 1 75 TYR HA . . 3.840 2.818 2.336 3.905 0.065 17 0 "[ . 1 . 2]" 1
207 1 10 LEU H 1 75 TYR QD . . 5.500 4.400 3.924 4.866 . 0 0 "[ . 1 . 2]" 1
208 1 10 LEU H 1 76 ASP H . . 4.610 3.874 3.580 4.366 . 0 0 "[ . 1 . 2]" 1
209 1 10 LEU HA 1 10 LEU QD . . 2.890 2.251 2.065 2.889 . 0 0 "[ . 1 . 2]" 1
210 1 10 LEU HA 1 10 LEU HG . . 4.110 3.041 2.263 3.308 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU HA 1 11 LYS H . . 2.920 2.361 2.224 2.735 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU HA 1 11 LYS HB3 . . 5.480 5.287 4.301 5.886 0.406 20 0 "[ . 1 . 2]" 1
213 1 10 LEU HA 1 11 LYS HG2 . . 5.420 4.613 3.116 6.200 0.780 17 1 "[ . 1 . + 2]" 1
214 1 10 LEU HA 1 12 GLU H . . 4.510 3.854 3.568 4.214 . 0 0 "[ . 1 . 2]" 1
215 1 10 LEU HA 1 74 VAL QG . . 5.220 4.497 3.579 4.771 . 0 0 "[ . 1 . 2]" 1
216 1 10 LEU HB2 1 11 LYS H . . 4.400 3.726 2.411 4.370 . 0 0 "[ . 1 . 2]" 1
217 1 10 LEU HB2 1 12 GLU H . . 4.110 3.754 2.562 4.184 0.074 11 0 "[ . 1 . 2]" 1
218 1 10 LEU HB2 1 74 VAL HB . . 3.560 2.868 2.451 3.654 0.094 20 0 "[ . 1 . 2]" 1
219 1 10 LEU HB2 1 74 VAL QG . . 3.460 2.179 1.829 2.411 . 0 0 "[ . 1 . 2]" 1
220 1 10 LEU HB3 1 10 LEU QD . . 3.190 2.153 2.111 2.294 . 0 0 "[ . 1 . 2]" 1
221 1 10 LEU HB3 1 11 LYS H . . 3.750 2.716 1.674 3.455 . 0 0 "[ . 1 . 2]" 1
222 1 10 LEU HB3 1 12 GLU H . . 3.400 2.637 2.169 2.952 . 0 0 "[ . 1 . 2]" 1
223 1 10 LEU HB3 1 74 VAL QG . . 3.630 3.256 2.585 3.669 0.039 13 0 "[ . 1 . 2]" 1
224 1 10 LEU QD 1 11 LYS H . . 3.810 3.467 2.945 3.773 . 0 0 "[ . 1 . 2]" 1
225 1 10 LEU QD 1 12 GLU H . . 4.180 3.693 3.240 3.950 . 0 0 "[ . 1 . 2]" 1
226 1 10 LEU QD 1 13 PHE HB2 . . 4.700 3.602 3.302 4.044 . 0 0 "[ . 1 . 2]" 1
227 1 10 LEU QD 1 13 PHE HB3 . . 3.890 2.658 2.423 2.962 . 0 0 "[ . 1 . 2]" 1
228 1 10 LEU QD 1 13 PHE QD . . 5.110 3.927 3.497 4.299 . 0 0 "[ . 1 . 2]" 1
229 1 10 LEU QD 1 14 THR H . . 5.500 5.098 4.811 5.414 . 0 0 "[ . 1 . 2]" 1
230 1 10 LEU QD 1 60 ASN HB2 . . 5.500 4.167 2.665 5.222 . 0 0 "[ . 1 . 2]" 1
231 1 10 LEU QD 1 60 ASN HB3 . . 5.190 3.263 2.574 4.198 . 0 0 "[ . 1 . 2]" 1
232 1 10 LEU QD 1 60 ASN HD21 . . 5.230 4.326 3.166 4.982 . 0 0 "[ . 1 . 2]" 1
233 1 10 LEU QD 1 60 ASN HD22 . . 4.630 4.086 3.134 4.843 0.213 15 0 "[ . 1 . 2]" 1
234 1 10 LEU QD 1 74 VAL QG . . 3.550 2.252 1.854 2.783 . 0 0 "[ . 1 . 2]" 1
235 1 10 LEU QD 1 75 TYR H . . 5.500 4.411 3.173 5.319 . 0 0 "[ . 1 . 2]" 1
236 1 10 LEU QD 1 76 ASP H . . 4.130 3.255 2.228 3.856 . 0 0 "[ . 1 . 2]" 1
237 1 10 LEU QD 1 76 ASP HB2 . . 3.620 2.514 2.218 2.864 . 0 0 "[ . 1 . 2]" 1
238 1 10 LEU QD 1 76 ASP HB3 . . 4.470 3.777 3.371 4.181 . 0 0 "[ . 1 . 2]" 1
239 1 10 LEU QD 1 77 GLY H . . 5.500 4.533 4.027 5.238 . 0 0 "[ . 1 . 2]" 1
240 1 10 LEU HG 1 11 LYS H . . 5.500 4.906 3.864 5.430 . 0 0 "[ . 1 . 2]" 1
241 1 10 LEU HG 1 74 VAL QG . . 5.050 3.460 2.272 4.311 . 0 0 "[ . 1 . 2]" 1
242 1 10 LEU HG 1 76 ASP H . . 4.390 3.235 2.693 4.426 0.036 1 0 "[ . 1 . 2]" 1
243 1 10 LEU HG 1 76 ASP HB2 . . 4.500 2.977 2.369 3.705 . 0 0 "[ . 1 . 2]" 1
244 1 11 LYS H 1 11 LYS HB2 . . 3.930 3.008 2.135 3.962 0.032 13 0 "[ . 1 . 2]" 1
245 1 11 LYS H 1 11 LYS HB3 . . 3.480 3.484 2.859 3.833 0.353 18 0 "[ . 1 . 2]" 1
246 1 11 LYS H 1 11 LYS HD2 . . 4.880 4.625 4.017 4.964 0.084 15 0 "[ . 1 . 2]" 1
247 1 11 LYS H 1 11 LYS HG2 . . 4.300 3.187 2.003 4.384 0.084 18 0 "[ . 1 . 2]" 1
248 1 11 LYS H 1 11 LYS HG3 . . 4.230 2.952 2.297 3.869 . 0 0 "[ . 1 . 2]" 1
249 1 11 LYS H 1 12 GLU H . . 2.880 2.079 1.674 2.535 . 0 0 "[ . 1 . 2]" 1
250 1 11 LYS H 1 12 GLU HA . . 5.500 4.785 4.446 5.180 . 0 0 "[ . 1 . 2]" 1
251 1 11 LYS H 1 12 GLU HG2 . . 5.420 3.580 2.808 4.099 . 0 0 "[ . 1 . 2]" 1
252 1 11 LYS H 1 12 GLU HG3 . . 5.500 5.097 4.392 5.562 0.062 5 0 "[ . 1 . 2]" 1
253 1 11 LYS HA 1 11 LYS HG2 . . 3.930 3.055 2.263 4.014 0.084 6 0 "[ . 1 . 2]" 1
254 1 11 LYS HA 1 11 LYS HG3 . . 3.550 3.352 2.504 3.947 0.397 11 0 "[ . 1 . 2]" 1
255 1 11 LYS HA 1 22 ILE H . . 4.710 3.995 3.753 4.533 . 0 0 "[ . 1 . 2]" 1
256 1 11 LYS HA 1 22 ILE HB . . 4.590 4.461 4.040 4.653 0.063 15 0 "[ . 1 . 2]" 1
257 1 11 LYS HA 1 22 ILE MD . . 3.270 2.777 2.357 3.217 . 0 0 "[ . 1 . 2]" 1
258 1 11 LYS HA 1 22 ILE QG . . 3.270 2.257 2.033 2.452 . 0 0 "[ . 1 . 2]" 1
259 1 11 LYS HA 1 74 VAL QG . . 5.020 4.352 3.764 4.762 . 0 0 "[ . 1 . 2]" 1
260 1 11 LYS HB2 1 22 ILE MD . . 5.500 5.051 4.115 5.604 0.104 17 0 "[ . 1 . 2]" 1
261 1 11 LYS HB3 1 12 GLU H . . 4.390 4.181 3.560 4.479 0.089 1 0 "[ . 1 . 2]" 1
262 1 11 LYS HB3 1 22 ILE MD . . 5.500 4.696 4.098 5.391 . 0 0 "[ . 1 . 2]" 1
263 1 11 LYS HD2 1 11 LYS HG2 . . 2.750 2.783 2.398 3.045 0.295 19 0 "[ . 1 . 2]" 1
264 1 11 LYS QE 1 11 LYS HG3 . . 3.210 2.692 2.085 3.335 0.125 11 0 "[ . 1 . 2]" 1
265 1 11 LYS HG2 1 12 GLU H . . 5.360 4.441 2.768 5.441 0.081 18 0 "[ . 1 . 2]" 1
266 1 11 LYS HG3 1 12 GLU H . . 5.330 4.052 2.506 5.440 0.110 15 0 "[ . 1 . 2]" 1
267 1 11 LYS HG3 1 22 ILE MD . . 5.430 5.425 4.866 5.775 0.345 11 0 "[ . 1 . 2]" 1
268 1 12 GLU H 1 12 GLU HB2 . . 4.150 3.953 3.881 4.126 . 0 0 "[ . 1 . 2]" 1
269 1 12 GLU H 1 12 GLU HB3 . . 3.570 3.463 3.312 3.654 0.084 1 0 "[ . 1 . 2]" 1
270 1 12 GLU H 1 12 GLU HG2 . . 3.970 2.497 2.280 2.780 . 0 0 "[ . 1 . 2]" 1
271 1 12 GLU H 1 12 GLU HG3 . . 4.070 3.644 3.397 4.107 0.037 1 0 "[ . 1 . 2]" 1
272 1 12 GLU H 1 13 PHE H . . 4.290 4.285 4.171 4.365 0.075 1 0 "[ . 1 . 2]" 1
273 1 12 GLU H 1 74 VAL QG . . 5.200 4.099 3.532 4.683 . 0 0 "[ . 1 . 2]" 1
274 1 12 GLU HA 1 13 PHE H . . 2.840 2.425 2.242 2.516 . 0 0 "[ . 1 . 2]" 1
275 1 12 GLU HA 1 13 PHE QD . . 4.090 3.134 2.481 3.466 . 0 0 "[ . 1 . 2]" 1
276 1 12 GLU HA 1 20 PHE H . . 4.770 4.586 4.468 4.826 0.056 19 0 "[ . 1 . 2]" 1
277 1 12 GLU HA 1 21 HIS HB3 . . 4.720 4.243 4.016 4.455 . 0 0 "[ . 1 . 2]" 1
278 1 12 GLU HB2 1 13 PHE H . . 3.530 2.525 2.439 2.658 . 0 0 "[ . 1 . 2]" 1
279 1 12 GLU HB2 1 21 HIS HD2 . . 3.540 2.922 2.606 3.243 . 0 0 "[ . 1 . 2]" 1
280 1 12 GLU HB3 1 13 PHE H . . 3.750 3.817 3.762 3.834 0.084 8 0 "[ . 1 . 2]" 1
281 1 12 GLU HB3 1 21 HIS HA . . 3.840 2.859 2.213 3.304 . 0 0 "[ . 1 . 2]" 1
282 1 12 GLU HB3 1 21 HIS HB2 . . 5.180 4.882 4.212 5.239 0.059 15 0 "[ . 1 . 2]" 1
283 1 12 GLU HB3 1 21 HIS HB3 . . 4.600 3.460 2.665 3.991 . 0 0 "[ . 1 . 2]" 1
284 1 12 GLU HB3 1 21 HIS HD2 . . 3.210 2.328 2.079 2.698 . 0 0 "[ . 1 . 2]" 1
285 1 12 GLU HG2 1 13 PHE H . . 4.500 4.506 4.250 4.581 0.081 20 0 "[ . 1 . 2]" 1
286 1 12 GLU HG2 1 13 PHE HA . . 5.250 4.832 4.384 5.057 . 0 0 "[ . 1 . 2]" 1
287 1 12 GLU HG2 1 21 HIS HD2 . . 5.500 4.634 4.170 5.204 . 0 0 "[ . 1 . 2]" 1
288 1 12 GLU HG3 1 13 PHE H . . 4.090 3.784 3.484 4.163 0.073 5 0 "[ . 1 . 2]" 1
289 1 12 GLU HG3 1 13 PHE HA . . 5.360 3.883 3.424 4.721 . 0 0 "[ . 1 . 2]" 1
290 1 12 GLU HG3 1 21 HIS HD2 . . 5.500 4.520 3.351 5.093 . 0 0 "[ . 1 . 2]" 1
291 1 13 PHE H 1 13 PHE QD . . 3.660 2.925 2.630 3.288 . 0 0 "[ . 1 . 2]" 1
292 1 13 PHE H 1 14 THR H . . 4.640 4.320 4.265 4.412 . 0 0 "[ . 1 . 2]" 1
293 1 13 PHE H 1 19 GLN HA . . 4.710 4.587 4.389 4.779 0.069 15 0 "[ . 1 . 2]" 1
294 1 13 PHE H 1 19 GLN HE21 . . 5.280 4.836 3.972 5.332 0.052 20 0 "[ . 1 . 2]" 1
295 1 13 PHE H 1 19 GLN QG . . 5.490 3.701 3.224 4.545 . 0 0 "[ . 1 . 2]" 1
296 1 13 PHE H 1 20 PHE H . . 3.660 2.870 2.737 3.043 . 0 0 "[ . 1 . 2]" 1
297 1 13 PHE H 1 20 PHE HB2 . . 4.440 3.307 3.083 3.561 . 0 0 "[ . 1 . 2]" 1
298 1 13 PHE H 1 20 PHE HB3 . . 5.140 4.591 4.335 4.901 . 0 0 "[ . 1 . 2]" 1
299 1 13 PHE H 1 20 PHE QD . . 4.470 4.553 4.534 4.563 0.093 16 0 "[ . 1 . 2]" 1
300 1 13 PHE H 1 21 HIS HA . . 4.310 3.923 3.701 4.037 . 0 0 "[ . 1 . 2]" 1
301 1 13 PHE H 1 74 VAL QG . . 5.500 4.569 4.072 5.147 . 0 0 "[ . 1 . 2]" 1
302 1 13 PHE HA 1 13 PHE QD . . 3.970 3.791 3.772 3.811 . 0 0 "[ . 1 . 2]" 1
303 1 13 PHE HA 1 14 THR H . . 2.920 2.583 2.449 2.721 . 0 0 "[ . 1 . 2]" 1
304 1 13 PHE HB2 1 14 THR H . . 3.320 2.183 1.975 2.296 . 0 0 "[ . 1 . 2]" 1
305 1 13 PHE HB2 1 14 THR HB . . 5.180 5.030 4.826 5.163 . 0 0 "[ . 1 . 2]" 1
306 1 13 PHE HB2 1 15 ALA MB . . 5.500 4.499 4.103 4.994 . 0 0 "[ . 1 . 2]" 1
307 1 13 PHE HB2 1 60 ASN HD21 . . 4.800 3.832 3.036 4.137 . 0 0 "[ . 1 . 2]" 1
308 1 13 PHE HB2 1 60 ASN HD22 . . 4.170 3.594 2.705 4.139 . 0 0 "[ . 1 . 2]" 1
309 1 13 PHE HB2 1 74 VAL QG . . 4.990 4.328 3.913 4.782 . 0 0 "[ . 1 . 2]" 1
310 1 13 PHE HB3 1 14 THR H . . 3.610 3.655 3.478 3.683 0.073 10 0 "[ . 1 . 2]" 1
311 1 13 PHE HB3 1 60 ASN HD21 . . 4.710 4.478 3.883 4.783 0.073 6 0 "[ . 1 . 2]" 1
312 1 13 PHE HB3 1 60 ASN HD22 . . 4.620 4.427 3.709 4.777 0.157 15 0 "[ . 1 . 2]" 1
313 1 13 PHE HB3 1 74 VAL QG . . 4.110 3.248 2.706 3.812 . 0 0 "[ . 1 . 2]" 1
314 1 13 PHE QD 1 14 THR H . . 3.860 2.996 2.523 3.388 . 0 0 "[ . 1 . 2]" 1
315 1 13 PHE QD 1 14 THR HA . . 4.810 3.861 3.276 4.407 . 0 0 "[ . 1 . 2]" 1
316 1 13 PHE QD 1 15 ALA H . . 4.770 3.880 3.318 4.618 . 0 0 "[ . 1 . 2]" 1
317 1 13 PHE QD 1 15 ALA MB . . 3.610 2.579 2.273 2.972 . 0 0 "[ . 1 . 2]" 1
318 1 13 PHE QD 1 20 PHE H . . 4.790 4.587 4.329 4.854 0.064 19 0 "[ . 1 . 2]" 1
319 1 13 PHE QD 1 60 ASN HD21 . . 3.930 3.057 2.066 4.020 0.090 20 0 "[ . 1 . 2]" 1
320 1 13 PHE QD 1 62 VAL QG . . 4.570 3.828 3.320 4.091 . 0 0 "[ . 1 . 2]" 1
321 1 13 PHE QD 1 74 VAL QG . . 3.130 2.445 2.049 2.935 . 0 0 "[ . 1 . 2]" 1
322 1 13 PHE QE 1 15 ALA MB . . 3.210 2.196 2.026 2.486 . 0 0 "[ . 1 . 2]" 1
323 1 13 PHE QE 1 20 PHE HB3 . . 4.740 3.124 2.746 3.576 . 0 0 "[ . 1 . 2]" 1
324 1 13 PHE QE 1 57 MET QB . . 4.200 2.833 2.171 3.557 . 0 0 "[ . 1 . 2]" 1
325 1 13 PHE QE 1 58 GLY HA3 . . 5.010 4.688 3.775 5.100 0.090 20 0 "[ . 1 . 2]" 1
326 1 13 PHE QE 1 62 VAL QG . . 4.220 2.764 2.441 3.142 . 0 0 "[ . 1 . 2]" 1
327 1 13 PHE QE 1 74 VAL QG . . 3.260 2.392 2.155 3.146 . 0 0 "[ . 1 . 2]" 1
328 1 14 THR H 1 14 THR HB . . 3.190 2.890 2.625 3.091 . 0 0 "[ . 1 . 2]" 1
329 1 14 THR H 1 14 THR MG . . 4.250 3.983 3.896 4.032 . 0 0 "[ . 1 . 2]" 1
330 1 14 THR H 1 19 GLN HA . . 5.350 4.804 4.594 5.305 . 0 0 "[ . 1 . 2]" 1
331 1 14 THR H 1 20 PHE QD . . 5.070 4.765 4.421 5.047 . 0 0 "[ . 1 . 2]" 1
332 1 14 THR H 1 60 ASN HD21 . . 5.390 5.247 4.356 5.448 0.058 17 0 "[ . 1 . 2]" 1
333 1 14 THR H 1 60 ASN HD22 . . 4.960 4.803 3.834 5.295 0.335 15 0 "[ . 1 . 2]" 1
334 1 14 THR HA 1 14 THR MG . . 3.300 2.383 2.218 2.518 . 0 0 "[ . 1 . 2]" 1
335 1 14 THR HA 1 15 ALA H . . 2.890 2.243 2.162 2.310 . 0 0 "[ . 1 . 2]" 1
336 1 14 THR HA 1 15 ALA MB . . 4.660 4.154 4.001 4.275 . 0 0 "[ . 1 . 2]" 1
337 1 14 THR HA 1 18 THR H . . 4.500 4.291 4.053 4.537 0.037 19 0 "[ . 1 . 2]" 1
338 1 14 THR HA 1 19 GLN H . . 5.280 4.659 4.509 4.942 . 0 0 "[ . 1 . 2]" 1
339 1 14 THR HA 1 19 GLN HA . . 3.180 2.285 2.072 2.783 . 0 0 "[ . 1 . 2]" 1
340 1 14 THR HA 1 19 GLN HB2 . . 5.260 4.427 4.130 5.032 . 0 0 "[ . 1 . 2]" 1
341 1 14 THR HA 1 19 GLN QG . . 4.990 3.915 3.430 4.929 . 0 0 "[ . 1 . 2]" 1
342 1 14 THR HA 1 20 PHE H . . 3.950 3.460 3.305 3.878 . 0 0 "[ . 1 . 2]" 1
343 1 14 THR HA 1 20 PHE QD . . 4.180 3.019 2.662 3.268 . 0 0 "[ . 1 . 2]" 1
344 1 14 THR HB 1 15 ALA H . . 4.310 4.001 3.671 4.245 . 0 0 "[ . 1 . 2]" 1
345 1 14 THR HB 1 15 ALA MB . . 5.500 5.099 4.881 5.339 . 0 0 "[ . 1 . 2]" 1
346 1 14 THR HB 1 18 THR H . . 5.250 5.314 5.280 5.334 0.084 5 0 "[ . 1 . 2]" 1
347 1 14 THR HB 1 19 GLN HA . . 5.250 4.594 4.358 5.256 0.006 8 0 "[ . 1 . 2]" 1
348 1 14 THR MG 1 15 ALA H . . 3.430 2.687 2.442 3.023 . 0 0 "[ . 1 . 2]" 1
349 1 14 THR MG 1 15 ALA HA . . 4.520 3.730 3.517 4.042 . 0 0 "[ . 1 . 2]" 1
350 1 14 THR MG 1 15 ALA MB . . 4.420 4.362 4.264 4.519 0.099 5 0 "[ . 1 . 2]" 1
351 1 14 THR MG 1 16 ASP H . . 5.040 4.754 4.501 4.980 . 0 0 "[ . 1 . 2]" 1
352 1 14 THR MG 1 16 ASP HA . . 5.500 5.557 5.288 5.606 0.106 12 0 "[ . 1 . 2]" 1
353 1 14 THR MG 1 17 PHE H . . 3.730 3.307 2.973 3.801 0.071 6 0 "[ . 1 . 2]" 1
354 1 14 THR MG 1 17 PHE HA . . 3.920 2.744 2.318 3.141 . 0 0 "[ . 1 . 2]" 1
355 1 14 THR MG 1 17 PHE HB2 . . 5.500 5.007 4.491 5.540 0.040 20 0 "[ . 1 . 2]" 1
356 1 14 THR MG 1 17 PHE HB3 . . 5.500 4.506 3.980 5.002 . 0 0 "[ . 1 . 2]" 1
357 1 14 THR MG 1 18 THR H . . 3.630 2.764 2.633 3.002 . 0 0 "[ . 1 . 2]" 1
358 1 14 THR MG 1 18 THR HA . . 5.180 3.739 3.537 4.049 . 0 0 "[ . 1 . 2]" 1
359 1 14 THR MG 1 18 THR HB . . 5.500 4.461 4.347 4.621 . 0 0 "[ . 1 . 2]" 1
360 1 14 THR MG 1 19 GLN H . . 5.050 3.489 3.175 4.014 . 0 0 "[ . 1 . 2]" 1
361 1 14 THR MG 1 19 GLN HA . . 4.140 2.603 2.234 2.854 . 0 0 "[ . 1 . 2]" 1
362 1 14 THR MG 1 19 GLN HB2 . . 4.550 3.087 2.490 3.749 . 0 0 "[ . 1 . 2]" 1
363 1 14 THR MG 1 19 GLN HE21 . . 5.230 3.625 2.702 4.485 . 0 0 "[ . 1 . 2]" 1
364 1 14 THR MG 1 19 GLN HE22 . . 5.010 4.631 3.705 5.118 0.108 13 0 "[ . 1 . 2]" 1
365 1 14 THR MG 1 19 GLN QG . . 4.540 3.968 3.320 4.643 0.103 8 0 "[ . 1 . 2]" 1
366 1 14 THR MG 1 20 PHE QD . . 5.500 4.513 4.302 4.711 . 0 0 "[ . 1 . 2]" 1
367 1 15 ALA H 1 15 ALA MB . . 3.560 2.719 2.606 2.809 . 0 0 "[ . 1 . 2]" 1
368 1 15 ALA H 1 16 ASP H . . 5.500 4.283 4.161 4.388 . 0 0 "[ . 1 . 2]" 1
369 1 15 ALA H 1 16 ASP QB . . 5.500 4.533 4.100 5.401 . 0 0 "[ . 1 . 2]" 1
370 1 15 ALA H 1 17 PHE H . . 5.320 4.148 3.785 4.512 . 0 0 "[ . 1 . 2]" 1
371 1 15 ALA H 1 18 THR H . . 3.380 2.905 2.702 3.099 . 0 0 "[ . 1 . 2]" 1
372 1 15 ALA H 1 18 THR HA . . 5.500 4.952 4.833 5.144 . 0 0 "[ . 1 . 2]" 1
373 1 15 ALA H 1 18 THR HB . . 4.350 3.676 3.448 3.993 . 0 0 "[ . 1 . 2]" 1
374 1 15 ALA H 1 18 THR MG . . 5.310 4.612 4.228 4.857 . 0 0 "[ . 1 . 2]" 1
375 1 15 ALA H 1 19 GLN HA . . 4.180 3.853 3.697 4.227 0.047 8 0 "[ . 1 . 2]" 1
376 1 15 ALA H 1 20 PHE QD . . 4.060 2.941 2.651 3.125 . 0 0 "[ . 1 . 2]" 1
377 1 15 ALA H 1 20 PHE QE . . 4.010 2.652 2.264 2.942 . 0 0 "[ . 1 . 2]" 1
378 1 15 ALA H 1 20 PHE HZ . . 5.500 4.978 4.592 5.270 . 0 0 "[ . 1 . 2]" 1
379 1 15 ALA HA 1 16 ASP H . . 3.130 2.363 2.196 2.452 . 0 0 "[ . 1 . 2]" 1
380 1 15 ALA HA 1 16 ASP HA . . 4.490 4.490 4.349 4.567 0.077 1 0 "[ . 1 . 2]" 1
381 1 15 ALA HA 1 17 PHE H . . 4.730 3.571 3.239 4.022 . 0 0 "[ . 1 . 2]" 1
382 1 15 ALA HA 1 18 THR H . . 5.500 4.371 4.130 4.574 . 0 0 "[ . 1 . 2]" 1
383 1 15 ALA MB 1 16 ASP H . . 3.750 2.722 2.541 3.000 . 0 0 "[ . 1 . 2]" 1
384 1 15 ALA MB 1 16 ASP HA . . 5.310 4.379 4.080 4.620 . 0 0 "[ . 1 . 2]" 1
385 1 15 ALA MB 1 16 ASP QB . . 4.540 3.149 2.707 3.888 . 0 0 "[ . 1 . 2]" 1
386 1 15 ALA MB 1 18 THR H . . 5.120 4.384 4.165 4.532 . 0 0 "[ . 1 . 2]" 1
387 1 15 ALA MB 1 18 THR HB . . 5.470 4.406 3.769 4.862 . 0 0 "[ . 1 . 2]" 1
388 1 15 ALA MB 1 20 PHE HB2 . . 5.500 5.154 4.921 5.536 0.036 1 0 "[ . 1 . 2]" 1
389 1 15 ALA MB 1 20 PHE QD . . 3.720 3.419 3.116 3.795 0.075 1 0 "[ . 1 . 2]" 1
390 1 15 ALA MB 1 20 PHE QE . . 3.310 2.502 2.148 2.807 . 0 0 "[ . 1 . 2]" 1
391 1 15 ALA MB 1 20 PHE HZ . . 4.490 4.339 3.848 4.562 0.072 9 0 "[ . 1 . 2]" 1
392 1 15 ALA MB 1 57 MET QG . . 4.110 3.460 2.129 4.022 . 0 0 "[ . 1 . 2]" 1
393 1 15 ALA MB 1 58 GLY H . . 4.210 3.225 2.179 4.257 0.047 6 0 "[ . 1 . 2]" 1
394 1 15 ALA MB 1 58 GLY HA2 . . 4.050 3.517 2.446 3.940 . 0 0 "[ . 1 . 2]" 1
395 1 15 ALA MB 1 58 GLY HA3 . . 3.610 2.594 2.178 3.006 . 0 0 "[ . 1 . 2]" 1
396 1 16 ASP H 1 16 ASP HA . . 2.920 2.272 2.243 2.305 . 0 0 "[ . 1 . 2]" 1
397 1 16 ASP H 1 17 PHE H . . 3.550 2.766 2.572 2.910 . 0 0 "[ . 1 . 2]" 1
398 1 16 ASP H 1 17 PHE HA . . 5.220 4.977 4.805 5.148 . 0 0 "[ . 1 . 2]" 1
399 1 16 ASP H 1 18 THR H . . 5.080 4.321 4.185 4.605 . 0 0 "[ . 1 . 2]" 1
400 1 16 ASP H 1 58 GLY HA2 . . 5.490 5.029 3.985 5.542 0.052 19 0 "[ . 1 . 2]" 1
401 1 16 ASP H 1 58 GLY HA3 . . 5.130 4.798 4.246 5.200 0.070 3 0 "[ . 1 . 2]" 1
402 1 16 ASP HA 1 17 PHE H . . 3.170 2.752 2.284 2.997 . 0 0 "[ . 1 . 2]" 1
403 1 16 ASP HA 1 17 PHE HB2 . . 5.350 4.824 4.481 5.473 0.123 16 0 "[ . 1 . 2]" 1
404 1 16 ASP HA 1 17 PHE QD . . 4.490 3.423 2.914 3.824 . 0 0 "[ . 1 . 2]" 1
405 1 16 ASP HA 1 17 PHE HZ . . 5.330 5.352 4.929 5.413 0.083 15 0 "[ . 1 . 2]" 1
406 1 16 ASP HA 1 18 THR H . . 5.310 4.431 4.232 4.855 . 0 0 "[ . 1 . 2]" 1
407 1 16 ASP QB 1 17 PHE H . . 3.960 3.780 3.634 3.851 . 0 0 "[ . 1 . 2]" 1
408 1 16 ASP QB 1 17 PHE QD . . 4.700 4.335 3.981 4.523 . 0 0 "[ . 1 . 2]" 1
409 1 16 ASP QB 1 18 THR H . . 4.690 3.657 3.147 4.465 . 0 0 "[ . 1 . 2]" 1
410 1 16 ASP QB 1 18 THR HB . . 4.930 3.473 2.668 4.476 . 0 0 "[ . 1 . 2]" 1
411 1 16 ASP QB 1 20 PHE QE . . 4.740 3.808 3.200 4.588 . 0 0 "[ . 1 . 2]" 1
412 1 16 ASP QB 1 20 PHE HZ . . 5.500 4.106 3.443 4.815 . 0 0 "[ . 1 . 2]" 1
413 1 17 PHE H 1 17 PHE HA . . 2.800 2.261 2.208 2.307 . 0 0 "[ . 1 . 2]" 1
414 1 17 PHE H 1 17 PHE QD . . 4.080 3.481 2.949 3.733 . 0 0 "[ . 1 . 2]" 1
415 1 17 PHE H 1 18 THR H . . 3.300 2.734 2.493 3.066 . 0 0 "[ . 1 . 2]" 1
416 1 17 PHE HA 1 17 PHE QD . . 3.950 2.968 2.812 3.578 . 0 0 "[ . 1 . 2]" 1
417 1 17 PHE HA 1 18 THR H . . 2.940 2.951 2.742 3.025 0.085 13 0 "[ . 1 . 2]" 1
418 1 17 PHE HB2 1 18 THR H . . 4.990 4.160 3.951 4.481 . 0 0 "[ . 1 . 2]" 1
419 1 17 PHE HB3 1 18 THR H . . 4.910 4.574 4.493 4.664 . 0 0 "[ . 1 . 2]" 1
420 1 17 PHE QD 1 18 THR H . . 5.500 4.768 4.044 5.033 . 0 0 "[ . 1 . 2]" 1
421 1 18 THR H 1 18 THR HB . . 3.160 2.594 2.421 2.860 . 0 0 "[ . 1 . 2]" 1
422 1 18 THR H 1 18 THR MG . . 4.160 3.842 3.742 3.950 . 0 0 "[ . 1 . 2]" 1
423 1 18 THR H 1 19 GLN H . . 4.630 4.316 4.156 4.472 . 0 0 "[ . 1 . 2]" 1
424 1 18 THR H 1 20 PHE QE . . 5.200 3.809 3.611 4.144 . 0 0 "[ . 1 . 2]" 1
425 1 18 THR HA 1 18 THR MG . . 3.160 2.395 2.293 2.501 . 0 0 "[ . 1 . 2]" 1
426 1 18 THR HA 1 19 GLN H . . 2.660 2.216 2.140 2.309 . 0 0 "[ . 1 . 2]" 1
427 1 18 THR HA 1 19 GLN HB2 . . 4.880 4.447 4.158 4.701 . 0 0 "[ . 1 . 2]" 1
428 1 18 THR HA 1 19 GLN HB3 . . 5.040 4.649 4.387 4.871 . 0 0 "[ . 1 . 2]" 1
429 1 18 THR HB 1 19 GLN H . . 4.200 4.163 4.009 4.273 0.073 5 0 "[ . 1 . 2]" 1
430 1 18 THR HB 1 20 PHE QD . . 4.980 4.223 3.957 4.574 . 0 0 "[ . 1 . 2]" 1
431 1 18 THR HB 1 20 PHE QE . . 3.400 2.578 2.281 2.942 . 0 0 "[ . 1 . 2]" 1
432 1 18 THR HB 1 20 PHE HZ . . 4.160 2.689 2.476 2.888 . 0 0 "[ . 1 . 2]" 1
433 1 18 THR MG 1 19 GLN H . . 3.220 2.780 2.504 3.066 . 0 0 "[ . 1 . 2]" 1
434 1 18 THR MG 1 19 GLN HA . . 4.400 4.251 4.057 4.459 0.059 8 0 "[ . 1 . 2]" 1
435 1 18 THR MG 1 19 GLN HB2 . . 5.070 4.916 4.411 5.074 0.004 6 0 "[ . 1 . 2]" 1
436 1 18 THR MG 1 20 PHE H . . 5.500 4.986 4.443 5.316 . 0 0 "[ . 1 . 2]" 1
437 1 18 THR MG 1 20 PHE HA . . 5.180 4.519 3.968 4.897 . 0 0 "[ . 1 . 2]" 1
438 1 18 THR MG 1 20 PHE QD . . 4.380 3.570 3.123 3.906 . 0 0 "[ . 1 . 2]" 1
439 1 18 THR MG 1 20 PHE QE . . 3.720 2.782 2.579 2.996 . 0 0 "[ . 1 . 2]" 1
440 1 18 THR MG 1 20 PHE HZ . . 3.590 2.645 2.371 3.057 . 0 0 "[ . 1 . 2]" 1
441 1 19 GLN H 1 19 GLN HB2 . . 3.270 2.625 2.354 2.818 . 0 0 "[ . 1 . 2]" 1
442 1 19 GLN H 1 19 GLN HB3 . . 3.370 2.482 2.274 2.613 . 0 0 "[ . 1 . 2]" 1
443 1 19 GLN H 1 19 GLN QG . . 3.980 3.984 3.888 4.048 0.068 11 0 "[ . 1 . 2]" 1
444 1 19 GLN H 1 20 PHE H . . 5.140 4.599 4.520 4.653 . 0 0 "[ . 1 . 2]" 1
445 1 19 GLN HA 1 19 GLN HE21 . . 5.280 3.367 2.689 4.146 . 0 0 "[ . 1 . 2]" 1
446 1 19 GLN HA 1 19 GLN HE22 . . 5.500 4.875 4.334 5.457 . 0 0 "[ . 1 . 2]" 1
447 1 19 GLN HA 1 19 GLN QG . . 3.690 2.334 2.167 2.629 . 0 0 "[ . 1 . 2]" 1
448 1 19 GLN HA 1 20 PHE H . . 2.840 2.307 2.244 2.366 . 0 0 "[ . 1 . 2]" 1
449 1 19 GLN HA 1 20 PHE QD . . 4.530 3.637 3.284 3.979 . 0 0 "[ . 1 . 2]" 1
450 1 19 GLN HB2 1 20 PHE H . . 4.420 4.111 3.989 4.350 . 0 0 "[ . 1 . 2]" 1
451 1 19 GLN HB2 1 21 HIS HE1 . . 5.020 5.041 4.803 5.096 0.076 10 0 "[ . 1 . 2]" 1
452 1 19 GLN HB3 1 19 GLN HE21 . . 4.610 4.244 3.985 4.559 . 0 0 "[ . 1 . 2]" 1
453 1 19 GLN HB3 1 20 PHE H . . 4.310 3.886 3.673 4.100 . 0 0 "[ . 1 . 2]" 1
454 1 19 GLN HB3 1 21 HIS HE1 . . 3.960 3.681 3.436 4.011 0.051 13 0 "[ . 1 . 2]" 1
455 1 19 GLN HE21 1 20 PHE H . . 5.500 4.085 3.295 4.446 . 0 0 "[ . 1 . 2]" 1
456 1 19 GLN HE22 1 20 PHE H . . 5.500 5.510 4.978 5.583 0.083 12 0 "[ . 1 . 2]" 1
457 1 19 GLN QG 1 20 PHE H . . 4.330 2.158 1.922 2.538 . 0 0 "[ . 1 . 2]" 1
458 1 19 GLN QG 1 20 PHE HA . . 5.300 3.961 3.718 4.244 . 0 0 "[ . 1 . 2]" 1
459 1 19 GLN HG2 1 21 HIS HE1 . . 4.100 2.585 2.162 3.160 . 0 0 "[ . 1 . 2]" 1
460 1 20 PHE H 1 20 PHE HB2 . . 3.720 2.724 2.604 2.811 . 0 0 "[ . 1 . 2]" 1
461 1 20 PHE H 1 20 PHE HB3 . . 4.160 3.816 3.741 3.868 . 0 0 "[ . 1 . 2]" 1
462 1 20 PHE H 1 20 PHE QD . . 4.310 3.348 3.072 3.620 . 0 0 "[ . 1 . 2]" 1
463 1 20 PHE H 1 20 PHE QE . . 5.500 5.268 5.084 5.489 . 0 0 "[ . 1 . 2]" 1
464 1 20 PHE HA 1 20 PHE QD . . 3.240 2.739 2.498 3.033 . 0 0 "[ . 1 . 2]" 1
465 1 20 PHE HA 1 20 PHE QE . . 5.500 4.729 4.571 4.951 . 0 0 "[ . 1 . 2]" 1
466 1 20 PHE HA 1 21 HIS H . . 2.840 2.274 2.158 2.336 . 0 0 "[ . 1 . 2]" 1
467 1 20 PHE HA 1 21 HIS HB2 . . 5.090 4.677 4.445 5.020 . 0 0 "[ . 1 . 2]" 1
468 1 20 PHE HA 1 21 HIS HB3 . . 5.500 5.567 5.545 5.587 0.087 5 0 "[ . 1 . 2]" 1
469 1 20 PHE HA 1 21 HIS HE1 . . 4.730 4.382 4.085 4.674 . 0 0 "[ . 1 . 2]" 1
470 1 20 PHE HA 1 24 ASP HB2 . . 5.290 3.145 2.938 3.308 . 0 0 "[ . 1 . 2]" 1
471 1 20 PHE HA 1 24 ASP HB3 . . 5.160 3.534 3.300 3.812 . 0 0 "[ . 1 . 2]" 1
472 1 20 PHE HA 1 71 ILE MG . . 5.030 5.043 4.659 5.134 0.104 20 0 "[ . 1 . 2]" 1
473 1 20 PHE HB2 1 21 HIS H . . 4.470 3.841 3.661 4.067 . 0 0 "[ . 1 . 2]" 1
474 1 20 PHE HB2 1 71 ILE MG . . 4.320 4.232 3.910 4.401 0.081 12 0 "[ . 1 . 2]" 1
475 1 20 PHE HB3 1 21 HIS H . . 3.860 2.753 2.517 3.085 . 0 0 "[ . 1 . 2]" 1
476 1 20 PHE HB3 1 71 ILE MG . . 3.880 3.254 3.046 3.423 . 0 0 "[ . 1 . 2]" 1
477 1 20 PHE QD 1 21 HIS H . . 4.770 3.880 3.699 4.189 . 0 0 "[ . 1 . 2]" 1
478 1 20 PHE QD 1 24 ASP HB2 . . 4.510 3.364 2.980 3.833 . 0 0 "[ . 1 . 2]" 1
479 1 20 PHE QD 1 24 ASP HB3 . . 3.640 2.974 2.237 3.682 0.042 19 0 "[ . 1 . 2]" 1
480 1 20 PHE QD 1 25 THR H . . 4.870 4.002 3.523 4.578 . 0 0 "[ . 1 . 2]" 1
481 1 20 PHE QD 1 26 VAL HA . . 4.520 3.872 3.539 4.265 . 0 0 "[ . 1 . 2]" 1
482 1 20 PHE QD 1 26 VAL QG . . 4.290 3.861 3.402 4.214 . 0 0 "[ . 1 . 2]" 1
483 1 20 PHE QD 1 71 ILE MD . . 3.250 2.200 2.038 2.344 . 0 0 "[ . 1 . 2]" 1
484 1 20 PHE QD 1 71 ILE HG12 . . 5.500 4.749 4.489 4.922 . 0 0 "[ . 1 . 2]" 1
485 1 20 PHE QE 1 26 VAL HA . . 3.530 2.523 2.191 2.901 . 0 0 "[ . 1 . 2]" 1
486 1 20 PHE QE 1 26 VAL HB . . 4.640 4.423 3.751 4.726 0.086 9 0 "[ . 1 . 2]" 1
487 1 20 PHE QE 1 26 VAL QG . . 4.580 3.659 3.064 4.110 . 0 0 "[ . 1 . 2]" 1
488 1 20 PHE QE 1 27 PRO HD2 . . 4.430 3.318 2.818 3.735 . 0 0 "[ . 1 . 2]" 1
489 1 20 PHE QE 1 27 PRO HD3 . . 4.180 2.573 2.197 2.915 . 0 0 "[ . 1 . 2]" 1
490 1 20 PHE QE 1 27 PRO HG2 . . 5.500 5.057 4.711 5.323 . 0 0 "[ . 1 . 2]" 1
491 1 20 PHE QE 1 27 PRO HG3 . . 4.530 4.345 4.002 4.608 0.078 1 0 "[ . 1 . 2]" 1
492 1 20 PHE QE 1 71 ILE MD . . 3.730 3.358 3.170 3.591 . 0 0 "[ . 1 . 2]" 1
493 1 20 PHE HZ 1 26 VAL HA . . 4.080 3.905 3.549 4.138 0.058 15 0 "[ . 1 . 2]" 1
494 1 20 PHE HZ 1 26 VAL HB . . 4.860 4.813 4.129 4.936 0.076 9 0 "[ . 1 . 2]" 1
495 1 20 PHE HZ 1 27 PRO QB . . 5.500 4.683 4.219 5.170 . 0 0 "[ . 1 . 2]" 1
496 1 20 PHE HZ 1 27 PRO HD2 . . 3.940 3.066 2.580 3.347 . 0 0 "[ . 1 . 2]" 1
497 1 20 PHE HZ 1 27 PRO HD3 . . 3.590 2.664 2.187 3.139 . 0 0 "[ . 1 . 2]" 1
498 1 20 PHE HZ 1 27 PRO HG2 . . 4.570 4.369 3.846 4.600 0.030 1 0 "[ . 1 . 2]" 1
499 1 20 PHE HZ 1 27 PRO HG3 . . 4.050 3.327 2.961 3.835 . 0 0 "[ . 1 . 2]" 1
500 1 21 HIS H 1 21 HIS HB2 . . 3.660 2.854 2.668 3.047 . 0 0 "[ . 1 . 2]" 1
501 1 21 HIS H 1 21 HIS HB3 . . 3.980 3.838 3.748 3.911 . 0 0 "[ . 1 . 2]" 1
502 1 21 HIS H 1 21 HIS HD2 . . 5.170 5.081 4.820 5.234 0.064 9 0 "[ . 1 . 2]" 1
503 1 21 HIS H 1 22 ILE H . . 4.990 4.419 4.366 4.526 . 0 0 "[ . 1 . 2]" 1
504 1 21 HIS H 1 24 ASP H . . 4.510 3.327 2.967 3.582 . 0 0 "[ . 1 . 2]" 1
505 1 21 HIS H 1 24 ASP HB2 . . 3.810 2.058 1.770 2.463 . 0 0 "[ . 1 . 2]" 1
506 1 21 HIS H 1 24 ASP HB3 . . 4.020 3.426 3.109 3.740 . 0 0 "[ . 1 . 2]" 1
507 1 21 HIS H 1 25 THR H . . 5.420 5.469 5.306 5.508 0.088 5 0 "[ . 1 . 2]" 1
508 1 21 HIS H 1 71 ILE MD . . 4.870 3.003 2.550 3.616 . 0 0 "[ . 1 . 2]" 1
509 1 21 HIS HA 1 21 HIS HD2 . . 4.250 3.417 3.188 3.705 . 0 0 "[ . 1 . 2]" 1
510 1 21 HIS HA 1 22 ILE H . . 3.040 2.478 2.370 2.606 . 0 0 "[ . 1 . 2]" 1
511 1 21 HIS HA 1 22 ILE HA . . 4.970 4.461 4.401 4.530 . 0 0 "[ . 1 . 2]" 1
512 1 21 HIS HA 1 22 ILE HB . . 5.380 5.073 4.874 5.220 . 0 0 "[ . 1 . 2]" 1
513 1 21 HIS HA 1 22 ILE MD . . 5.260 4.230 3.729 4.711 . 0 0 "[ . 1 . 2]" 1
514 1 21 HIS HA 1 22 ILE QG . . 4.730 4.089 3.850 4.267 . 0 0 "[ . 1 . 2]" 1
515 1 21 HIS HA 1 71 ILE MG . . 5.160 4.314 4.044 4.576 . 0 0 "[ . 1 . 2]" 1
516 1 21 HIS HB2 1 22 ILE H . . 3.780 3.405 3.032 3.600 . 0 0 "[ . 1 . 2]" 1
517 1 21 HIS HB2 1 22 ILE QG . . 5.500 5.382 5.059 5.571 0.071 2 0 "[ . 1 . 2]" 1
518 1 21 HIS HB2 1 23 GLY H . . 5.500 5.143 4.454 5.474 . 0 0 "[ . 1 . 2]" 1
519 1 21 HIS HB2 1 24 ASP H . . 4.890 3.614 3.352 4.174 . 0 0 "[ . 1 . 2]" 1
520 1 21 HIS HB3 1 21 HIS HD2 . . 3.500 2.702 2.630 2.775 . 0 0 "[ . 1 . 2]" 1
521 1 21 HIS HB3 1 22 ILE H . . 3.490 2.599 2.429 2.776 . 0 0 "[ . 1 . 2]" 1
522 1 21 HIS HB3 1 22 ILE QG . . 5.260 4.471 4.230 4.616 . 0 0 "[ . 1 . 2]" 1
523 1 22 ILE H 1 22 ILE HB . . 3.150 2.606 2.461 2.774 . 0 0 "[ . 1 . 2]" 1
524 1 22 ILE H 1 22 ILE MD . . 3.790 3.078 2.677 3.557 . 0 0 "[ . 1 . 2]" 1
525 1 22 ILE H 1 22 ILE QG . . 3.150 2.205 2.082 2.389 . 0 0 "[ . 1 . 2]" 1
526 1 22 ILE H 1 22 ILE MG . . 3.920 3.827 3.792 3.852 . 0 0 "[ . 1 . 2]" 1
527 1 22 ILE H 1 23 GLY H . . 4.840 4.432 4.090 4.582 . 0 0 "[ . 1 . 2]" 1
528 1 22 ILE H 1 24 ASP H . . 5.500 4.664 4.451 4.775 . 0 0 "[ . 1 . 2]" 1
529 1 22 ILE H 1 71 ILE MG . . 4.830 4.256 3.943 4.568 . 0 0 "[ . 1 . 2]" 1
530 1 22 ILE HA 1 22 ILE MD . . 3.220 2.268 2.164 2.430 . 0 0 "[ . 1 . 2]" 1
531 1 22 ILE HA 1 22 ILE QG . . 3.710 3.116 2.969 3.235 . 0 0 "[ . 1 . 2]" 1
532 1 22 ILE HA 1 22 ILE MG . . 3.160 2.396 2.316 2.465 . 0 0 "[ . 1 . 2]" 1
533 1 22 ILE HA 1 23 GLY H . . 2.780 2.143 2.086 2.199 . 0 0 "[ . 1 . 2]" 1
534 1 22 ILE HA 1 23 GLY HA3 . . 4.370 4.463 4.418 4.483 0.113 13 0 "[ . 1 . 2]" 1
535 1 22 ILE HA 1 24 ASP H . . 4.170 3.718 3.593 3.936 . 0 0 "[ . 1 . 2]" 1
536 1 22 ILE HA 1 71 ILE HB . . 3.460 3.433 3.207 3.539 0.079 19 0 "[ . 1 . 2]" 1
537 1 22 ILE HA 1 71 ILE MG . . 3.170 2.499 2.219 2.847 . 0 0 "[ . 1 . 2]" 1
538 1 22 ILE HA 1 74 VAL QG . . 4.800 3.793 3.385 4.456 . 0 0 "[ . 1 . 2]" 1
539 1 22 ILE HB 1 22 ILE MD . . 3.490 3.278 3.242 3.292 . 0 0 "[ . 1 . 2]" 1
540 1 22 ILE HB 1 23 GLY H . . 4.530 4.316 4.174 4.445 . 0 0 "[ . 1 . 2]" 1
541 1 22 ILE MD 1 23 GLY H . . 4.300 3.983 3.843 4.187 . 0 0 "[ . 1 . 2]" 1
542 1 22 ILE MD 1 71 ILE MG . . 2.870 2.662 2.238 2.993 0.123 13 0 "[ . 1 . 2]" 1
543 1 22 ILE MD 1 73 LYS H . . 4.590 4.089 3.735 4.437 . 0 0 "[ . 1 . 2]" 1
544 1 22 ILE MD 1 73 LYS HB3 . . 5.500 4.158 3.894 4.337 . 0 0 "[ . 1 . 2]" 1
545 1 22 ILE MD 1 73 LYS HG2 . . 4.290 3.972 3.728 4.277 . 0 0 "[ . 1 . 2]" 1
546 1 22 ILE MD 1 73 LYS HG3 . . 4.680 4.682 4.083 4.772 0.092 17 0 "[ . 1 . 2]" 1
547 1 22 ILE MD 1 74 VAL H . . 3.660 2.751 2.478 3.303 . 0 0 "[ . 1 . 2]" 1
548 1 22 ILE MD 1 74 VAL HB . . 4.750 2.848 2.423 4.009 . 0 0 "[ . 1 . 2]" 1
549 1 22 ILE MD 1 74 VAL QG . . 4.800 2.144 1.942 2.390 . 0 0 "[ . 1 . 2]" 1
550 1 22 ILE QG 1 22 ILE MG . . 3.070 2.235 2.171 2.330 . 0 0 "[ . 1 . 2]" 1
551 1 22 ILE QG 1 23 GLY H . . 4.800 4.861 4.815 4.903 0.103 13 0 "[ . 1 . 2]" 1
552 1 22 ILE MG 1 23 GLY H . . 3.800 3.031 2.752 3.435 . 0 0 "[ . 1 . 2]" 1
553 1 22 ILE MG 1 23 GLY HA2 . . 4.720 3.822 3.522 3.943 . 0 0 "[ . 1 . 2]" 1
554 1 22 ILE MG 1 23 GLY HA3 . . 3.860 3.755 3.448 4.124 0.264 12 0 "[ . 1 . 2]" 1
555 1 22 ILE MG 1 24 ASP H . . 5.360 4.873 4.738 5.153 . 0 0 "[ . 1 . 2]" 1
556 1 22 ILE MG 1 72 LEU H . . 5.500 5.247 4.980 5.564 0.064 17 0 "[ . 1 . 2]" 1
557 1 22 ILE MG 1 73 LYS H . . 5.210 4.594 4.102 4.958 . 0 0 "[ . 1 . 2]" 1
558 1 22 ILE MG 1 74 VAL H . . 5.360 4.889 4.388 5.389 0.029 20 0 "[ . 1 . 2]" 1
559 1 23 GLY H 1 24 ASP H . . 3.140 2.536 2.131 2.834 . 0 0 "[ . 1 . 2]" 1
560 1 23 GLY H 1 71 ILE HA . . 5.500 4.628 4.442 4.865 . 0 0 "[ . 1 . 2]" 1
561 1 23 GLY H 1 71 ILE HB . . 3.040 2.506 2.287 2.699 . 0 0 "[ . 1 . 2]" 1
562 1 23 GLY H 1 71 ILE MG . . 3.460 3.052 2.725 3.244 . 0 0 "[ . 1 . 2]" 1
563 1 23 GLY HA2 1 70 LYS QD . . 4.530 2.406 2.050 4.184 . 0 0 "[ . 1 . 2]" 1
564 1 23 GLY HA2 1 70 LYS HE3 . . 4.810 3.586 2.095 4.541 . 0 0 "[ . 1 . 2]" 1
565 1 23 GLY HA2 1 71 ILE H . . 5.500 4.021 3.482 4.898 . 0 0 "[ . 1 . 2]" 1
566 1 23 GLY HA2 1 71 ILE HB . . 4.950 4.128 3.922 4.426 . 0 0 "[ . 1 . 2]" 1
567 1 23 GLY HA3 1 70 LYS QD . . 5.020 3.611 3.202 5.094 0.074 19 0 "[ . 1 . 2]" 1
568 1 23 GLY HA3 1 70 LYS HE2 . . 5.500 5.185 3.233 6.059 0.559 16 2 "[ .- 1 .+ 2]" 1
569 1 23 GLY HA3 1 71 ILE HB . . 5.320 4.977 4.872 5.020 . 0 0 "[ . 1 . 2]" 1
570 1 24 ASP H 1 24 ASP HB2 . . 3.150 2.305 2.143 2.438 . 0 0 "[ . 1 . 2]" 1
571 1 24 ASP H 1 24 ASP HB3 . . 3.650 3.540 3.337 3.657 0.007 5 0 "[ . 1 . 2]" 1
572 1 24 ASP H 1 25 THR H . . 4.620 4.613 4.499 4.687 0.067 9 0 "[ . 1 . 2]" 1
573 1 24 ASP H 1 71 ILE H . . 5.110 3.943 3.650 4.415 . 0 0 "[ . 1 . 2]" 1
574 1 24 ASP H 1 71 ILE HB . . 3.570 2.711 2.517 2.874 . 0 0 "[ . 1 . 2]" 1
575 1 24 ASP H 1 71 ILE MD . . 4.120 3.327 3.084 3.532 . 0 0 "[ . 1 . 2]" 1
576 1 24 ASP H 1 71 ILE HG12 . . 5.500 5.473 5.293 5.569 0.069 19 0 "[ . 1 . 2]" 1
577 1 24 ASP H 1 71 ILE HG13 . . 5.500 4.446 4.224 4.807 . 0 0 "[ . 1 . 2]" 1
578 1 24 ASP H 1 71 ILE MG . . 4.700 3.776 3.577 3.990 . 0 0 "[ . 1 . 2]" 1
579 1 24 ASP HA 1 25 THR H . . 2.960 2.791 2.614 2.969 0.009 9 0 "[ . 1 . 2]" 1
580 1 24 ASP HB2 1 25 THR H . . 3.730 3.546 3.206 3.803 0.073 4 0 "[ . 1 . 2]" 1
581 1 24 ASP HB2 1 71 ILE H . . 5.500 4.752 4.444 5.027 . 0 0 "[ . 1 . 2]" 1
582 1 24 ASP HB2 1 71 ILE MG . . 4.470 3.958 3.698 4.274 . 0 0 "[ . 1 . 2]" 1
583 1 24 ASP HB3 1 25 THR H . . 3.190 2.214 2.000 2.387 . 0 0 "[ . 1 . 2]" 1
584 1 24 ASP HB3 1 25 THR MG . . 5.500 5.273 4.970 5.582 0.082 3 0 "[ . 1 . 2]" 1
585 1 25 THR H 1 25 THR HB . . 3.240 3.224 2.823 3.339 0.099 9 0 "[ . 1 . 2]" 1
586 1 25 THR H 1 25 THR MG . . 3.790 3.634 3.419 3.908 0.118 12 0 "[ . 1 . 2]" 1
587 1 25 THR H 1 26 VAL HA . . 4.900 4.853 4.590 4.952 0.052 20 0 "[ . 1 . 2]" 1
588 1 25 THR H 1 26 VAL QG . . 5.500 4.762 4.565 4.960 . 0 0 "[ . 1 . 2]" 1
589 1 25 THR H 1 71 ILE H . . 5.150 4.628 4.466 4.747 . 0 0 "[ . 1 . 2]" 1
590 1 25 THR H 1 71 ILE MD . . 5.500 3.563 3.275 3.879 . 0 0 "[ . 1 . 2]" 1
591 1 25 THR H 1 71 ILE HG13 . . 5.500 4.082 3.789 4.414 . 0 0 "[ . 1 . 2]" 1
592 1 25 THR HA 1 25 THR MG . . 3.170 2.261 2.197 2.360 . 0 0 "[ . 1 . 2]" 1
593 1 25 THR HA 1 26 VAL H . . 2.790 2.307 2.151 2.476 . 0 0 "[ . 1 . 2]" 1
594 1 25 THR HA 1 26 VAL QG . . 4.280 3.340 3.043 3.513 . 0 0 "[ . 1 . 2]" 1
595 1 25 THR HA 1 64 ILE MG . . 5.500 4.838 4.608 5.113 . 0 0 "[ . 1 . 2]" 1
596 1 25 THR HA 1 69 GLY QA . . 5.060 4.359 4.206 4.617 . 0 0 "[ . 1 . 2]" 1
597 1 25 THR HA 1 70 LYS H . . 5.270 4.488 4.299 4.642 . 0 0 "[ . 1 . 2]" 1
598 1 25 THR HA 1 70 LYS HG2 . . 5.410 3.651 3.169 4.092 . 0 0 "[ . 1 . 2]" 1
599 1 25 THR HA 1 70 LYS HG3 . . 5.500 4.916 3.381 5.539 0.039 19 0 "[ . 1 . 2]" 1
600 1 25 THR HA 1 71 ILE H . . 3.640 2.810 2.560 2.994 . 0 0 "[ . 1 . 2]" 1
601 1 25 THR HA 1 71 ILE HG12 . . 5.260 4.140 3.919 4.477 . 0 0 "[ . 1 . 2]" 1
602 1 25 THR HB 1 26 VAL H . . 3.370 3.152 2.635 3.463 0.093 12 0 "[ . 1 . 2]" 1
603 1 25 THR HB 1 26 VAL QG . . 5.360 4.213 3.805 4.593 . 0 0 "[ . 1 . 2]" 1
604 1 25 THR HB 1 71 ILE H . . 5.500 5.517 5.398 5.576 0.076 13 0 "[ . 1 . 2]" 1
605 1 25 THR MG 1 26 VAL H . . 3.600 2.968 2.165 3.413 . 0 0 "[ . 1 . 2]" 1
606 1 25 THR MG 1 26 VAL QG . . 4.620 3.701 3.206 4.041 . 0 0 "[ . 1 . 2]" 1
607 1 25 THR MG 1 31 LEU QD . . 5.500 4.206 3.541 4.669 . 0 0 "[ . 1 . 2]" 1
608 1 25 THR MG 1 68 GLU H . . 5.500 5.330 4.949 5.575 0.075 10 0 "[ . 1 . 2]" 1
609 1 25 THR MG 1 68 GLU HB2 . . 4.710 4.652 2.618 4.824 0.114 15 0 "[ . 1 . 2]" 1
610 1 25 THR MG 1 68 GLU HB3 . . 4.600 4.248 3.975 4.644 0.044 9 0 "[ . 1 . 2]" 1
611 1 25 THR MG 1 68 GLU QG . . 4.020 2.411 2.130 3.338 . 0 0 "[ . 1 . 2]" 1
612 1 25 THR MG 1 69 GLY H . . 4.760 4.350 3.948 4.647 . 0 0 "[ . 1 . 2]" 1
613 1 25 THR MG 1 70 LYS H . . 4.210 3.171 2.856 3.385 . 0 0 "[ . 1 . 2]" 1
614 1 25 THR MG 1 70 LYS QD . . 3.840 3.788 3.246 3.964 0.124 12 0 "[ . 1 . 2]" 1
615 1 25 THR MG 1 71 ILE H . . 4.320 3.793 3.525 3.946 . 0 0 "[ . 1 . 2]" 1
616 1 26 VAL H 1 26 VAL QG . . 3.020 2.027 1.911 2.129 . 0 0 "[ . 1 . 2]" 1
617 1 26 VAL H 1 27 PRO HD2 . . 5.500 4.887 4.824 4.944 . 0 0 "[ . 1 . 2]" 1
618 1 26 VAL H 1 31 LEU QD . . 4.260 3.924 3.600 4.192 . 0 0 "[ . 1 . 2]" 1
619 1 26 VAL H 1 69 GLY QA . . 4.830 3.247 2.995 3.531 . 0 0 "[ . 1 . 2]" 1
620 1 26 VAL H 1 71 ILE H . . 4.730 4.423 4.075 4.796 0.066 17 0 "[ . 1 . 2]" 1
621 1 26 VAL H 1 71 ILE HG12 . . 4.960 4.069 3.563 4.604 . 0 0 "[ . 1 . 2]" 1
622 1 26 VAL HA 1 26 VAL QG . . 3.320 2.298 2.250 2.391 . 0 0 "[ . 1 . 2]" 1
623 1 26 VAL HA 1 27 PRO HD2 . . 3.330 2.342 2.267 2.420 . 0 0 "[ . 1 . 2]" 1
624 1 26 VAL HA 1 27 PRO HD3 . . 3.010 2.609 2.527 2.698 . 0 0 "[ . 1 . 2]" 1
625 1 26 VAL HA 1 27 PRO HG2 . . 4.510 4.538 4.443 4.582 0.072 13 0 "[ . 1 . 2]" 1
626 1 26 VAL HA 1 27 PRO HG3 . . 4.610 4.673 4.643 4.690 0.080 15 0 "[ . 1 . 2]" 1
627 1 26 VAL HA 1 30 TYR QR . . 4.100 4.021 3.629 4.206 0.106 14 0 "[ . 1 . 2]" 1
628 1 26 VAL HA 1 64 ILE MG . . 4.950 4.880 4.719 5.012 0.062 10 0 "[ . 1 . 2]" 1
629 1 26 VAL HA 1 71 ILE HG12 . . 4.670 4.600 4.316 4.781 0.111 3 0 "[ . 1 . 2]" 1
630 1 26 VAL HB 1 27 PRO HD2 . . 3.420 2.157 1.988 2.275 . 0 0 "[ . 1 . 2]" 1
631 1 26 VAL HB 1 27 PRO HD3 . . 3.680 3.663 3.489 3.745 0.065 16 0 "[ . 1 . 2]" 1
632 1 26 VAL HB 1 30 TYR H . . 4.760 4.294 3.853 4.762 0.002 4 0 "[ . 1 . 2]" 1
633 1 26 VAL HB 1 30 TYR HB2 . . 4.050 2.814 2.265 3.231 . 0 0 "[ . 1 . 2]" 1
634 1 26 VAL HB 1 30 TYR HB3 . . 4.480 4.212 3.688 4.516 0.036 12 0 "[ . 1 . 2]" 1
635 1 26 VAL HB 1 30 TYR QR . . 3.090 2.496 2.055 2.962 . 0 0 "[ . 1 . 2]" 1
636 1 26 VAL QG 1 27 PRO HD2 . . 4.580 3.095 2.988 3.191 . 0 0 "[ . 1 . 2]" 1
637 1 26 VAL QG 1 27 PRO HD3 . . 4.500 3.944 3.835 4.018 . 0 0 "[ . 1 . 2]" 1
638 1 26 VAL QG 1 30 TYR H . . 4.790 3.640 3.448 3.772 . 0 0 "[ . 1 . 2]" 1
639 1 26 VAL QG 1 30 TYR HB2 . . 3.450 2.529 2.175 2.770 . 0 0 "[ . 1 . 2]" 1
640 1 26 VAL QG 1 30 TYR HB3 . . 3.780 3.423 2.805 3.647 . 0 0 "[ . 1 . 2]" 1
641 1 26 VAL QG 1 30 TYR QR . . 4.100 3.176 2.868 3.501 . 0 0 "[ . 1 . 2]" 1
642 1 26 VAL QG 1 31 LEU H . . 4.140 3.704 3.358 4.054 . 0 0 "[ . 1 . 2]" 1
643 1 26 VAL QG 1 31 LEU QD . . 3.240 1.991 1.836 2.152 . 0 0 "[ . 1 . 2]" 1
644 1 26 VAL QG 1 31 LEU HG . . 4.090 3.186 2.134 4.160 0.070 19 0 "[ . 1 . 2]" 1
645 1 26 VAL QG 1 64 ILE HB . . 4.950 2.773 2.368 3.065 . 0 0 "[ . 1 . 2]" 1
646 1 26 VAL QG 1 64 ILE MD . . 3.510 2.490 2.224 2.884 . 0 0 "[ . 1 . 2]" 1
647 1 26 VAL QG 1 64 ILE MG . . 3.590 1.843 1.777 1.949 . 0 0 "[ . 1 . 2]" 1
648 1 26 VAL QG 1 69 GLY H . . 5.170 4.532 4.211 4.747 . 0 0 "[ . 1 . 2]" 1
649 1 26 VAL QG 1 69 GLY QA . . 3.930 2.230 1.993 2.453 . 0 0 "[ . 1 . 2]" 1
650 1 26 VAL QG 1 71 ILE H . . 4.260 4.012 3.542 4.192 . 0 0 "[ . 1 . 2]" 1
651 1 26 VAL QG 1 71 ILE HG12 . . 3.750 2.124 2.052 2.195 . 0 0 "[ . 1 . 2]" 1
652 1 26 VAL QG 1 72 LEU H . . 5.500 5.022 4.829 5.197 . 0 0 "[ . 1 . 2]" 1
653 1 27 PRO HA 1 28 ALA H . . 2.600 2.350 2.294 2.435 . 0 0 "[ . 1 . 2]" 1
654 1 27 PRO HA 1 28 ALA HA . . 4.290 4.337 4.310 4.355 0.065 14 0 "[ . 1 . 2]" 1
655 1 27 PRO HA 1 28 ALA MB . . 4.060 4.081 4.004 4.122 0.062 5 0 "[ . 1 . 2]" 1
656 1 27 PRO HA 1 29 MET H . . 4.350 4.080 3.933 4.299 . 0 0 "[ . 1 . 2]" 1
657 1 27 PRO HA 1 30 TYR QR . . 4.980 4.952 4.637 5.103 0.123 11 0 "[ . 1 . 2]" 1
658 1 27 PRO QB 1 28 ALA H . . 3.750 2.731 2.583 2.864 . 0 0 "[ . 1 . 2]" 1
659 1 27 PRO QB 1 29 MET H . . 4.290 2.392 2.221 2.638 . 0 0 "[ . 1 . 2]" 1
660 1 27 PRO QB 1 29 MET HB2 . . 5.380 3.711 2.810 4.816 . 0 0 "[ . 1 . 2]" 1
661 1 27 PRO QB 1 29 MET HG2 . . 4.910 2.611 1.933 3.291 . 0 0 "[ . 1 . 2]" 1
662 1 27 PRO QB 1 29 MET HG3 . . 5.020 2.701 2.039 3.435 . 0 0 "[ . 1 . 2]" 1
663 1 27 PRO QB 1 30 TYR H . . 4.790 4.060 3.413 4.192 . 0 0 "[ . 1 . 2]" 1
664 1 27 PRO QB 1 30 TYR QR . . 4.340 3.758 3.640 3.883 . 0 0 "[ . 1 . 2]" 1
665 1 27 PRO HD2 1 30 TYR H . . 5.500 4.579 4.208 5.101 . 0 0 "[ . 1 . 2]" 1
666 1 27 PRO HD2 1 30 TYR QR . . 3.320 2.196 2.017 2.380 . 0 0 "[ . 1 . 2]" 1
667 1 27 PRO HD3 1 30 TYR QR . . 4.110 3.481 3.242 3.630 . 0 0 "[ . 1 . 2]" 1
668 1 27 PRO HG2 1 28 ALA H . . 5.280 4.484 4.353 4.586 . 0 0 "[ . 1 . 2]" 1
669 1 27 PRO HG2 1 28 ALA HA . . 5.420 5.432 5.173 5.486 0.066 18 0 "[ . 1 . 2]" 1
670 1 27 PRO HG2 1 29 MET H . . 5.080 3.342 3.060 3.696 . 0 0 "[ . 1 . 2]" 1
671 1 27 PRO HG2 1 29 MET HG2 . . 5.500 3.607 2.116 4.495 . 0 0 "[ . 1 . 2]" 1
672 1 27 PRO HG2 1 30 TYR QR . . 3.140 2.123 2.005 2.379 . 0 0 "[ . 1 . 2]" 1
673 1 27 PRO HG3 1 28 ALA H . . 5.350 5.272 5.159 5.378 0.028 17 0 "[ . 1 . 2]" 1
674 1 27 PRO HG3 1 29 MET H . . 5.500 4.555 4.296 4.865 . 0 0 "[ . 1 . 2]" 1
675 1 27 PRO HG3 1 30 TYR QR . . 4.320 2.663 2.398 2.887 . 0 0 "[ . 1 . 2]" 1
676 1 28 ALA H 1 28 ALA MB . . 2.790 2.200 2.006 2.257 . 0 0 "[ . 1 . 2]" 1
677 1 28 ALA H 1 29 MET H . . 3.340 2.752 2.603 2.909 . 0 0 "[ . 1 . 2]" 1
678 1 28 ALA H 1 29 MET HA . . 5.230 5.284 5.188 5.316 0.086 19 0 "[ . 1 . 2]" 1
679 1 28 ALA H 1 30 TYR H . . 4.740 4.486 4.116 4.696 . 0 0 "[ . 1 . 2]" 1
680 1 28 ALA H 1 31 LEU QD . . 5.420 3.751 3.454 4.211 . 0 0 "[ . 1 . 2]" 1
681 1 28 ALA HA 1 31 LEU H . . 3.550 2.874 2.500 3.513 . 0 0 "[ . 1 . 2]" 1
682 1 28 ALA HA 1 31 LEU QB . . 3.670 2.344 2.003 3.254 . 0 0 "[ . 1 . 2]" 1
683 1 28 ALA HA 1 31 LEU QD . . 3.160 2.066 1.963 2.200 . 0 0 "[ . 1 . 2]" 1
684 1 28 ALA HA 1 31 LEU HG . . 3.470 3.322 2.640 3.554 0.084 7 0 "[ . 1 . 2]" 1
685 1 28 ALA MB 1 29 MET H . . 3.300 3.042 2.802 3.193 . 0 0 "[ . 1 . 2]" 1
686 1 28 ALA MB 1 30 TYR H . . 4.670 4.444 4.375 4.618 . 0 0 "[ . 1 . 2]" 1
687 1 28 ALA MB 1 31 LEU QB . . 4.360 3.187 2.938 4.086 . 0 0 "[ . 1 . 2]" 1
688 1 28 ALA MB 1 31 LEU QD . . 3.840 3.255 2.860 3.614 . 0 0 "[ . 1 . 2]" 1
689 1 29 MET H 1 29 MET HB2 . . 3.230 2.932 2.533 3.634 0.404 7 0 "[ . 1 . 2]" 1
690 1 29 MET H 1 29 MET HB3 . . 3.660 3.296 2.521 3.627 . 0 0 "[ . 1 . 2]" 1
691 1 29 MET H 1 29 MET HG2 . . 3.320 2.039 1.720 2.381 . 0 0 "[ . 1 . 2]" 1
692 1 29 MET H 1 29 MET HG3 . . 3.250 2.852 2.252 3.394 0.144 4 0 "[ . 1 . 2]" 1
693 1 29 MET H 1 30 TYR H . . 3.250 2.802 2.622 2.966 . 0 0 "[ . 1 . 2]" 1
694 1 29 MET H 1 30 TYR QD . . 5.380 4.557 4.046 4.992 . 0 0 "[ . 1 . 2]" 1
695 1 29 MET H 1 30 TYR QR . . 4.610 4.313 3.872 4.718 0.108 11 0 "[ . 1 . 2]" 1
696 1 29 MET H 1 31 LEU H . . 4.750 4.136 3.908 4.447 . 0 0 "[ . 1 . 2]" 1
697 1 29 MET H 1 31 LEU QD . . 4.840 4.462 4.124 4.775 . 0 0 "[ . 1 . 2]" 1
698 1 29 MET HA 1 29 MET HB3 . . 2.900 2.410 2.323 2.505 . 0 0 "[ . 1 . 2]" 1
699 1 29 MET HA 1 29 MET HG3 . . 4.160 3.813 3.615 4.083 . 0 0 "[ . 1 . 2]" 1
700 1 29 MET HA 1 31 LEU H . . 4.780 4.309 4.017 4.628 . 0 0 "[ . 1 . 2]" 1
701 1 29 MET HA 1 32 THR H . . 4.410 4.352 3.939 4.480 0.070 4 0 "[ . 1 . 2]" 1
702 1 29 MET HA 1 32 THR MG . . 3.220 3.118 2.507 3.319 0.099 9 0 "[ . 1 . 2]" 1
703 1 29 MET HB2 1 29 MET HG3 . . 2.830 2.312 2.204 2.493 . 0 0 "[ . 1 . 2]" 1
704 1 29 MET HB2 1 30 TYR H . . 4.150 3.261 2.788 3.976 . 0 0 "[ . 1 . 2]" 1
705 1 29 MET HB2 1 30 TYR QR . . 4.000 3.018 2.586 3.874 . 0 0 "[ . 1 . 2]" 1
706 1 29 MET HB3 1 30 TYR H . . 4.890 4.126 3.895 4.502 . 0 0 "[ . 1 . 2]" 1
707 1 29 MET HG2 1 30 TYR H . . 4.460 4.086 2.700 4.549 0.089 2 0 "[ . 1 . 2]" 1
708 1 29 MET HG3 1 30 TYR QR . . 4.210 3.698 2.539 4.304 0.094 14 0 "[ . 1 . 2]" 1
709 1 30 TYR H 1 30 TYR HB2 . . 3.220 2.551 2.479 2.653 . 0 0 "[ . 1 . 2]" 1
710 1 30 TYR H 1 30 TYR HB3 . . 3.660 3.704 3.660 3.737 0.077 2 0 "[ . 1 . 2]" 1
711 1 30 TYR H 1 30 TYR QD . . 3.630 3.019 2.457 3.438 . 0 0 "[ . 1 . 2]" 1
712 1 30 TYR H 1 30 TYR QR . . 3.330 2.979 2.444 3.373 0.043 19 0 "[ . 1 . 2]" 1
713 1 30 TYR H 1 31 LEU QD . . 5.460 3.608 3.147 4.160 . 0 0 "[ . 1 . 2]" 1
714 1 30 TYR H 1 32 THR H . . 5.060 4.014 3.724 4.303 . 0 0 "[ . 1 . 2]" 1
715 1 30 TYR HA 1 30 TYR QR . . 3.380 2.457 2.060 2.859 . 0 0 "[ . 1 . 2]" 1
716 1 30 TYR HA 1 32 THR H . . 4.230 3.678 3.290 3.921 . 0 0 "[ . 1 . 2]" 1
717 1 30 TYR HA 1 32 THR MG . . 5.200 3.195 2.615 4.293 . 0 0 "[ . 1 . 2]" 1
718 1 30 TYR HA 1 35 TYR QB . . 4.090 3.354 2.863 3.621 . 0 0 "[ . 1 . 2]" 1
719 1 30 TYR HA 1 35 TYR QD . . 3.260 2.966 2.384 3.296 0.036 1 0 "[ . 1 . 2]" 1
720 1 30 TYR HA 1 35 TYR QE . . 4.050 4.004 3.400 4.134 0.084 18 0 "[ . 1 . 2]" 1
721 1 30 TYR HA 1 55 THR MG . . 5.390 4.349 3.572 4.790 . 0 0 "[ . 1 . 2]" 1
722 1 30 TYR HA 1 64 ILE MD . . 5.480 4.760 4.299 5.465 . 0 0 "[ . 1 . 2]" 1
723 1 30 TYR HB2 1 31 LEU H . . 4.460 3.480 3.007 3.939 . 0 0 "[ . 1 . 2]" 1
724 1 30 TYR HB2 1 31 LEU QD . . 5.500 3.805 3.050 4.442 . 0 0 "[ . 1 . 2]" 1
725 1 30 TYR HB2 1 32 THR H . . 5.500 5.265 5.033 5.552 0.052 19 0 "[ . 1 . 2]" 1
726 1 30 TYR HB2 1 55 THR MG . . 5.270 4.424 3.702 5.135 . 0 0 "[ . 1 . 2]" 1
727 1 30 TYR HB2 1 64 ILE MD . . 5.360 3.760 3.046 4.507 . 0 0 "[ . 1 . 2]" 1
728 1 30 TYR HB3 1 31 LEU H . . 4.900 4.288 3.981 4.498 . 0 0 "[ . 1 . 2]" 1
729 1 30 TYR HB3 1 32 THR H . . 5.480 5.416 5.121 5.543 0.063 14 0 "[ . 1 . 2]" 1
730 1 30 TYR HB3 1 55 THR MG . . 4.040 3.427 2.485 4.034 . 0 0 "[ . 1 . 2]" 1
731 1 30 TYR HB3 1 64 ILE MD . . 4.680 3.766 2.871 4.774 0.094 13 0 "[ . 1 . 2]" 1
732 1 30 TYR HB3 1 64 ILE MG . . 5.500 4.146 3.634 4.653 . 0 0 "[ . 1 . 2]" 1
733 1 30 TYR QR 1 35 TYR QB . . 4.900 3.555 2.805 4.342 . 0 0 "[ . 1 . 2]" 1
734 1 30 TYR QR 1 35 TYR QD . . 4.820 3.543 2.841 4.039 . 0 0 "[ . 1 . 2]" 1
735 1 30 TYR QR 1 55 THR MG . . 4.740 4.700 3.566 4.881 0.141 16 0 "[ . 1 . 2]" 1
736 1 30 TYR QE 1 58 GLY H . . 5.500 4.412 2.794 5.592 0.092 1 0 "[ . 1 . 2]" 1
737 1 31 LEU H 1 31 LEU QB . . 2.950 2.256 2.152 2.366 . 0 0 "[ . 1 . 2]" 1
738 1 31 LEU H 1 31 LEU QD . . 3.960 2.785 2.221 3.258 . 0 0 "[ . 1 . 2]" 1
739 1 31 LEU H 1 32 THR H . . 3.010 2.357 2.132 2.559 . 0 0 "[ . 1 . 2]" 1
740 1 31 LEU H 1 32 THR MG . . 3.970 3.419 2.998 3.643 . 0 0 "[ . 1 . 2]" 1
741 1 31 LEU H 1 64 ILE MD . . 5.380 4.084 3.684 4.317 . 0 0 "[ . 1 . 2]" 1
742 1 31 LEU QB 1 31 LEU QD . . 2.900 2.026 1.932 2.121 . 0 0 "[ . 1 . 2]" 1
743 1 31 LEU QB 1 31 LEU HG . . 2.710 2.337 2.118 2.551 . 0 0 "[ . 1 . 2]" 1
744 1 31 LEU QB 1 32 THR H . . 3.930 2.974 2.693 3.190 . 0 0 "[ . 1 . 2]" 1
745 1 31 LEU QB 1 64 ILE MD . . 4.890 3.739 3.499 3.985 . 0 0 "[ . 1 . 2]" 1
746 1 31 LEU QD 1 32 THR H . . 5.010 4.170 3.943 4.449 . 0 0 "[ . 1 . 2]" 1
747 1 31 LEU QD 1 64 ILE HB . . 3.540 3.067 2.536 3.270 . 0 0 "[ . 1 . 2]" 1
748 1 31 LEU QD 1 64 ILE MD . . 2.860 1.958 1.783 2.100 . 0 0 "[ . 1 . 2]" 1
749 1 31 LEU QD 1 68 GLU H . . 5.500 3.181 2.616 3.694 . 0 0 "[ . 1 . 2]" 1
750 1 31 LEU QD 1 69 GLY H . . 3.770 3.094 2.687 3.320 . 0 0 "[ . 1 . 2]" 1
751 1 31 LEU QD 1 69 GLY QA . . 3.280 2.047 1.865 2.304 . 0 0 "[ . 1 . 2]" 1
752 1 31 LEU QD 1 70 LYS H . . 5.500 4.554 4.391 4.807 . 0 0 "[ . 1 . 2]" 1
753 1 31 LEU HG 1 32 THR H . . 5.270 5.010 4.578 5.347 0.077 11 0 "[ . 1 . 2]" 1
754 1 31 LEU HG 1 64 ILE MD . . 4.760 3.391 2.207 4.617 . 0 0 "[ . 1 . 2]" 1
755 1 31 LEU HG 1 69 GLY QA . . 5.500 3.788 3.306 4.308 . 0 0 "[ . 1 . 2]" 1
756 1 32 THR H 1 32 THR MG . . 3.080 1.965 1.784 2.135 . 0 0 "[ . 1 . 2]" 1
757 1 32 THR H 1 33 PRO QD . . 5.120 4.440 4.300 4.513 . 0 0 "[ . 1 . 2]" 1
758 1 32 THR H 1 34 GLU H . . 5.420 4.992 4.760 5.262 . 0 0 "[ . 1 . 2]" 1
759 1 32 THR H 1 35 TYR QE . . 5.500 5.088 4.710 5.542 0.042 1 0 "[ . 1 . 2]" 1
760 1 32 THR H 1 64 ILE MD . . 5.500 4.927 4.630 5.183 . 0 0 "[ . 1 . 2]" 1
761 1 32 THR MG 1 33 PRO QD . . 3.630 3.655 3.194 3.765 0.135 3 0 "[ . 1 . 2]" 1
762 1 32 THR MG 1 34 GLU H . . 4.800 2.933 2.369 4.441 . 0 0 "[ . 1 . 2]" 1
763 1 32 THR MG 1 34 GLU QB . . 4.180 2.456 2.035 4.139 . 0 0 "[ . 1 . 2]" 1
764 1 32 THR MG 1 34 GLU HG3 . . 4.550 3.736 3.152 4.661 0.111 13 0 "[ . 1 . 2]" 1
765 1 32 THR MG 1 35 TYR QD . . 3.840 2.400 2.013 3.945 0.105 12 0 "[ . 1 . 2]" 1
766 1 32 THR MG 1 35 TYR QE . . 5.320 2.587 2.150 3.970 . 0 0 "[ . 1 . 2]" 1
767 1 33 PRO HA 1 35 TYR H . . 4.540 3.684 3.243 4.603 0.063 20 0 "[ . 1 . 2]" 1
768 1 33 PRO HA 1 36 ASN H . . 3.830 3.176 2.773 3.754 . 0 0 "[ . 1 . 2]" 1
769 1 33 PRO HA 1 36 ASN QD . . 4.670 3.279 2.974 4.347 . 0 0 "[ . 1 . 2]" 1
770 1 33 PRO HB2 1 34 GLU H . . 4.040 3.935 3.822 4.035 . 0 0 "[ . 1 . 2]" 1
771 1 33 PRO HB3 1 34 GLU H . . 4.440 4.489 4.401 4.522 0.082 17 0 "[ . 1 . 2]" 1
772 1 33 PRO HB3 1 36 ASN HB3 . . 5.280 4.211 3.556 5.343 0.063 10 0 "[ . 1 . 2]" 1
773 1 33 PRO HB3 1 36 ASN QD . . 5.500 3.609 2.816 4.658 . 0 0 "[ . 1 . 2]" 1
774 1 33 PRO QD 1 34 GLU H . . 4.370 2.982 2.747 3.281 . 0 0 "[ . 1 . 2]" 1
775 1 33 PRO HG2 1 34 GLU H . . 4.240 3.170 2.834 3.445 . 0 0 "[ . 1 . 2]" 1
776 1 33 PRO HG3 1 34 GLU H . . 4.790 4.562 4.316 4.785 . 0 0 "[ . 1 . 2]" 1
777 1 34 GLU H 1 34 GLU QB . . 3.470 2.222 2.068 2.423 . 0 0 "[ . 1 . 2]" 1
778 1 34 GLU H 1 34 GLU HG2 . . 4.460 3.293 2.227 3.954 . 0 0 "[ . 1 . 2]" 1
779 1 34 GLU H 1 34 GLU HG3 . . 4.290 2.872 2.170 3.939 . 0 0 "[ . 1 . 2]" 1
780 1 34 GLU H 1 35 TYR H . . 3.390 2.817 2.663 2.985 . 0 0 "[ . 1 . 2]" 1
781 1 34 GLU H 1 35 TYR QD . . 3.950 3.804 3.440 3.998 0.048 16 0 "[ . 1 . 2]" 1
782 1 34 GLU H 1 36 ASN H . . 4.570 4.152 3.867 4.517 . 0 0 "[ . 1 . 2]" 1
783 1 34 GLU HA 1 36 ASN H . . 4.270 4.258 4.018 4.348 0.078 7 0 "[ . 1 . 2]" 1
784 1 34 GLU QB 1 35 TYR H . . 3.940 2.907 2.183 3.317 . 0 0 "[ . 1 . 2]" 1
785 1 34 GLU QB 1 35 TYR QD . . 3.630 2.687 2.367 3.108 . 0 0 "[ . 1 . 2]" 1
786 1 34 GLU QB 1 35 TYR QE . . 3.350 2.740 2.502 3.033 . 0 0 "[ . 1 . 2]" 1
787 1 34 GLU HG2 1 35 TYR QE . . 5.500 5.151 4.449 5.575 0.075 1 0 "[ . 1 . 2]" 1
788 1 34 GLU HG3 1 35 TYR H . . 5.150 4.894 4.422 5.214 0.064 2 0 "[ . 1 . 2]" 1
789 1 35 TYR H 1 35 TYR QB . . 3.270 2.530 2.351 2.634 . 0 0 "[ . 1 . 2]" 1
790 1 35 TYR H 1 35 TYR QE . . 5.500 4.481 3.938 4.819 . 0 0 "[ . 1 . 2]" 1
791 1 35 TYR H 1 36 ASN HB2 . . 5.080 4.064 3.456 5.121 0.041 7 0 "[ . 1 . 2]" 1
792 1 35 TYR H 1 36 ASN HB3 . . 5.500 4.496 3.619 5.491 . 0 0 "[ . 1 . 2]" 1
793 1 35 TYR HA 1 56 TYR H . . 4.010 3.867 3.487 4.081 0.071 10 0 "[ . 1 . 2]" 1
794 1 35 TYR QB 1 35 TYR QD . . 2.970 2.172 2.157 2.206 . 0 0 "[ . 1 . 2]" 1
795 1 35 TYR QB 1 36 ASN H . . 4.610 3.462 3.206 3.715 . 0 0 "[ . 1 . 2]" 1
796 1 35 TYR QB 1 55 THR MG . . 4.570 3.118 2.028 3.905 . 0 0 "[ . 1 . 2]" 1
797 1 35 TYR QB 1 56 TYR H . . 4.760 2.304 1.973 3.131 . 0 0 "[ . 1 . 2]" 1
798 1 35 TYR QB 1 56 TYR HB2 . . 5.500 4.065 3.060 5.774 0.274 11 0 "[ . 1 . 2]" 1
799 1 36 ASN H 1 36 ASN HB2 . . 3.280 2.464 1.937 3.373 0.093 7 0 "[ . 1 . 2]" 1
800 1 36 ASN H 1 36 ASN HB3 . . 3.140 2.532 2.114 3.354 0.214 3 0 "[ . 1 . 2]" 1
801 1 36 ASN H 1 36 ASN QD . . 5.500 4.404 4.170 4.646 . 0 0 "[ . 1 . 2]" 1
802 1 36 ASN H 1 37 ILE H . . 4.920 4.404 4.059 4.665 . 0 0 "[ . 1 . 2]" 1
803 1 36 ASN H 1 53 HIS HD2 . . 5.100 4.951 4.561 5.173 0.073 3 0 "[ . 1 . 2]" 1
804 1 36 ASN H 1 55 THR HA . . 5.500 4.882 4.655 5.385 . 0 0 "[ . 1 . 2]" 1
805 1 36 ASN H 1 56 TYR H . . 5.500 5.471 5.037 5.585 0.085 15 0 "[ . 1 . 2]" 1
806 1 36 ASN HA 1 53 HIS HD2 . . 3.330 2.473 2.212 2.886 . 0 0 "[ . 1 . 2]" 1
807 1 36 ASN HB2 1 37 ILE H . . 5.170 4.424 3.765 4.688 . 0 0 "[ . 1 . 2]" 1
808 1 36 ASN HB2 1 53 HIS HD2 . . 4.630 3.645 2.337 4.834 0.204 3 0 "[ . 1 . 2]" 1
809 1 36 ASN HB3 1 37 ILE H . . 5.000 4.326 3.454 4.573 . 0 0 "[ . 1 . 2]" 1
810 1 36 ASN HB3 1 38 LYS H . . 5.500 4.508 3.614 5.579 0.079 7 0 "[ . 1 . 2]" 1
811 1 36 ASN QD 1 38 LYS QD . . 5.500 3.674 2.143 4.604 . 0 0 "[ . 1 . 2]" 1
812 1 36 ASN QD 1 38 LYS QE . . 4.960 3.470 2.359 4.857 . 0 0 "[ . 1 . 2]" 1
813 1 36 ASN QD 1 38 LYS HG2 . . 5.500 3.768 2.324 5.158 . 0 0 "[ . 1 . 2]" 1
814 1 36 ASN QD 1 38 LYS HG3 . . 5.500 3.924 2.240 5.225 . 0 0 "[ . 1 . 2]" 1
815 1 36 ASN QD 1 53 HIS HB2 . . 5.500 3.703 2.362 4.602 . 0 0 "[ . 1 . 2]" 1
816 1 36 ASN QD 1 53 HIS HB3 . . 5.500 3.773 2.750 4.781 . 0 0 "[ . 1 . 2]" 1
817 1 37 ILE H 1 37 ILE HB . . 3.830 2.641 2.448 2.867 . 0 0 "[ . 1 . 2]" 1
818 1 37 ILE H 1 37 ILE MD . . 5.320 3.417 2.089 4.053 . 0 0 "[ . 1 . 2]" 1
819 1 37 ILE H 1 37 ILE HG12 . . 4.500 3.450 2.052 4.129 . 0 0 "[ . 1 . 2]" 1
820 1 37 ILE H 1 37 ILE HG13 . . 4.520 2.786 1.970 4.076 . 0 0 "[ . 1 . 2]" 1
821 1 37 ILE H 1 38 LYS H . . 5.460 3.860 3.536 4.377 . 0 0 "[ . 1 . 2]" 1
822 1 37 ILE H 1 53 HIS HD2 . . 4.230 3.455 2.241 4.186 . 0 0 "[ . 1 . 2]" 1
823 1 37 ILE H 1 55 THR HA . . 5.120 2.815 2.296 3.578 . 0 0 "[ . 1 . 2]" 1
824 1 37 ILE HA 1 38 LYS H . . 3.140 2.284 2.127 2.423 . 0 0 "[ . 1 . 2]" 1
825 1 37 ILE HA 1 39 GLN H . . 5.330 3.192 2.846 3.690 . 0 0 "[ . 1 . 2]" 1
826 1 37 ILE HB 1 38 LYS H . . 5.300 4.464 4.265 4.578 . 0 0 "[ . 1 . 2]" 1
827 1 37 ILE HB 1 45 LEU QD . . 5.360 4.926 4.217 5.302 . 0 0 "[ . 1 . 2]" 1
828 1 37 ILE HB 1 54 TRP H . . 5.200 4.292 3.751 5.049 . 0 0 "[ . 1 . 2]" 1
829 1 37 ILE HB 1 54 TRP HB2 . . 3.990 2.708 2.310 3.565 . 0 0 "[ . 1 . 2]" 1
830 1 37 ILE HB 1 54 TRP HB3 . . 3.960 3.179 2.846 3.752 . 0 0 "[ . 1 . 2]" 1
831 1 37 ILE MD 1 37 ILE MG . . 3.650 2.203 1.986 2.980 . 0 0 "[ . 1 . 2]" 1
832 1 37 ILE MD 1 38 LYS H . . 5.500 5.234 4.064 5.607 0.107 12 0 "[ . 1 . 2]" 1
833 1 37 ILE MD 1 54 TRP HB2 . . 5.110 4.060 3.427 5.215 0.105 20 0 "[ . 1 . 2]" 1
834 1 37 ILE MD 1 54 TRP HB3 . . 5.380 3.522 2.677 5.235 . 0 0 "[ . 1 . 2]" 1
835 1 37 ILE MD 1 55 THR H . . 5.480 4.146 3.376 5.567 0.087 11 0 "[ . 1 . 2]" 1
836 1 37 ILE MD 1 56 TYR H . . 5.090 3.237 2.237 4.340 . 0 0 "[ . 1 . 2]" 1
837 1 37 ILE MD 1 56 TYR HB2 . . 4.070 2.164 1.959 2.377 . 0 0 "[ . 1 . 2]" 1
838 1 37 ILE MD 1 56 TYR HB3 . . 4.110 3.625 3.044 3.925 . 0 0 "[ . 1 . 2]" 1
839 1 37 ILE MD 1 56 TYR QD . . 3.950 3.121 2.604 3.753 . 0 0 "[ . 1 . 2]" 1
840 1 37 ILE MD 1 56 TYR QE . . 4.870 4.598 4.053 4.973 0.103 1 0 "[ . 1 . 2]" 1
841 1 37 ILE MD 1 61 TYR QD . . 4.200 2.400 2.035 3.690 . 0 0 "[ . 1 . 2]" 1
842 1 37 ILE MD 1 61 TYR QE . . 2.800 2.287 2.023 2.884 0.084 20 0 "[ . 1 . 2]" 1
843 1 37 ILE HG12 1 56 TYR H . . 5.200 4.498 3.265 5.253 0.053 3 0 "[ . 1 . 2]" 1
844 1 37 ILE HG12 1 61 TYR QD . . 4.740 4.407 3.276 4.848 0.108 11 0 "[ . 1 . 2]" 1
845 1 37 ILE HG13 1 54 TRP HB3 . . 5.500 4.638 3.631 5.921 0.421 13 0 "[ . 1 . 2]" 1
846 1 37 ILE HG13 1 56 TYR H . . 5.450 3.831 3.080 4.632 . 0 0 "[ . 1 . 2]" 1
847 1 37 ILE HG13 1 56 TYR HB2 . . 5.500 3.540 2.744 4.090 . 0 0 "[ . 1 . 2]" 1
848 1 37 ILE HG13 1 56 TYR HB3 . . 5.190 4.917 3.507 5.577 0.387 20 0 "[ . 1 . 2]" 1
849 1 37 ILE HG13 1 56 TYR QD . . 4.980 4.876 4.274 5.322 0.342 16 0 "[ . 1 . 2]" 1
850 1 37 ILE HG13 1 61 TYR QD . . 5.330 4.096 2.207 5.321 . 0 0 "[ . 1 . 2]" 1
851 1 37 ILE HG13 1 61 TYR QE . . 5.500 4.288 2.270 5.106 . 0 0 "[ . 1 . 2]" 1
852 1 37 ILE MG 1 38 LYS H . . 4.660 3.610 2.933 3.928 . 0 0 "[ . 1 . 2]" 1
853 1 37 ILE MG 1 39 GLN H . . 4.710 2.717 2.234 3.124 . 0 0 "[ . 1 . 2]" 1
854 1 37 ILE MG 1 39 GLN QG . . 4.920 4.168 2.161 4.792 . 0 0 "[ . 1 . 2]" 1
855 1 37 ILE MG 1 40 TRP HB2 . . 5.260 4.812 3.864 5.353 0.093 19 0 "[ . 1 . 2]" 1
856 1 37 ILE MG 1 40 TRP HB3 . . 4.400 3.667 2.596 4.331 . 0 0 "[ . 1 . 2]" 1
857 1 37 ILE MG 1 43 ARG HD2 . . 5.050 3.733 2.224 5.564 0.514 3 1 "[ + . 1 . 2]" 1
858 1 37 ILE MG 1 43 ARG HD3 . . 5.500 3.835 2.201 5.580 0.080 9 0 "[ . 1 . 2]" 1
859 1 37 ILE MG 1 43 ARG HG2 . . 5.500 4.708 3.303 5.590 0.090 17 0 "[ . 1 . 2]" 1
860 1 37 ILE MG 1 43 ARG HG3 . . 5.500 4.086 2.184 5.449 . 0 0 "[ . 1 . 2]" 1
861 1 37 ILE MG 1 45 LEU QD . . 4.450 3.952 2.980 4.473 0.023 19 0 "[ . 1 . 2]" 1
862 1 37 ILE MG 1 54 TRP HB2 . . 5.020 3.781 3.097 4.559 . 0 0 "[ . 1 . 2]" 1
863 1 37 ILE MG 1 54 TRP HB3 . . 4.640 4.196 3.569 4.739 0.099 11 0 "[ . 1 . 2]" 1
864 1 37 ILE MG 1 61 TYR QD . . 4.300 4.107 3.344 4.414 0.114 1 0 "[ . 1 . 2]" 1
865 1 37 ILE MG 1 61 TYR QE . . 3.930 3.636 2.282 4.034 0.104 15 0 "[ . 1 . 2]" 1
866 1 38 LYS H 1 38 LYS QD . . 4.770 4.124 2.568 4.868 0.098 17 0 "[ . 1 . 2]" 1
867 1 38 LYS H 1 38 LYS HG2 . . 4.360 3.272 2.133 4.396 0.036 7 0 "[ . 1 . 2]" 1
868 1 38 LYS H 1 38 LYS HG3 . . 4.310 3.012 2.201 4.409 0.099 7 0 "[ . 1 . 2]" 1
869 1 38 LYS H 1 39 GLN H . . 4.080 2.637 2.082 2.885 . 0 0 "[ . 1 . 2]" 1
870 1 38 LYS QB 1 39 GLN H . . 4.490 3.144 2.806 3.791 . 0 0 "[ . 1 . 2]" 1
871 1 38 LYS QD 1 38 LYS HG2 . . 2.600 2.304 2.096 2.584 . 0 0 "[ . 1 . 2]" 1
872 1 39 GLN H 1 39 GLN HB2 . . 4.070 2.458 2.182 3.556 . 0 0 "[ . 1 . 2]" 1
873 1 39 GLN H 1 39 GLN HE21 . . 5.500 4.071 2.319 5.419 . 0 0 "[ . 1 . 2]" 1
874 1 39 GLN H 1 39 GLN HE22 . . 5.500 4.708 3.325 5.580 0.080 2 0 "[ . 1 . 2]" 1
875 1 39 GLN H 1 39 GLN QG . . 4.250 2.743 1.844 3.997 . 0 0 "[ . 1 . 2]" 1
876 1 39 GLN H 1 40 TRP H . . 5.300 3.807 3.005 4.489 . 0 0 "[ . 1 . 2]" 1
877 1 39 GLN HA 1 39 GLN HE21 . . 5.500 4.392 2.088 5.202 . 0 0 "[ . 1 . 2]" 1
878 1 39 GLN HA 1 41 GLN H . . 5.500 3.707 3.126 4.446 . 0 0 "[ . 1 . 2]" 1
879 1 39 GLN HB2 1 40 TRP H . . 5.500 4.441 3.710 4.683 . 0 0 "[ . 1 . 2]" 1
880 1 39 GLN HB3 1 40 TRP H . . 4.850 4.307 3.832 4.549 . 0 0 "[ . 1 . 2]" 1
881 1 39 GLN HB3 1 42 GLN H . . 5.420 4.367 3.505 5.779 0.359 18 0 "[ . 1 . 2]" 1
882 1 40 TRP H 1 40 TRP HD1 . . 3.690 2.806 2.386 3.459 . 0 0 "[ . 1 . 2]" 1
883 1 40 TRP H 1 40 TRP HE1 . . 5.180 4.480 4.087 4.807 . 0 0 "[ . 1 . 2]" 1
884 1 40 TRP H 1 41 GLN H . . 4.210 2.433 1.940 3.284 . 0 0 "[ . 1 . 2]" 1
885 1 40 TRP H 1 42 GLN H . . 5.450 4.310 3.482 5.516 0.066 20 0 "[ . 1 . 2]" 1
886 1 40 TRP HA 1 43 ARG H . . 4.850 3.913 3.192 4.914 0.064 16 0 "[ . 1 . 2]" 1
887 1 40 TRP HB2 1 45 LEU HB2 . . 4.120 3.196 2.553 3.577 . 0 0 "[ . 1 . 2]" 1
888 1 40 TRP HB2 1 45 LEU HB3 . . 4.010 3.893 3.395 4.101 0.091 11 0 "[ . 1 . 2]" 1
889 1 40 TRP HB2 1 45 LEU QD . . 4.780 3.965 3.196 4.276 . 0 0 "[ . 1 . 2]" 1
890 1 40 TRP HB2 1 54 TRP HD1 . . 4.970 3.744 2.980 4.482 . 0 0 "[ . 1 . 2]" 1
891 1 40 TRP HB2 1 54 TRP HE1 . . 5.500 4.209 3.547 4.976 . 0 0 "[ . 1 . 2]" 1
892 1 40 TRP HB3 1 45 LEU HB2 . . 4.420 4.330 3.780 4.499 0.079 13 0 "[ . 1 . 2]" 1
893 1 40 TRP HB3 1 45 LEU HB3 . . 5.080 4.934 4.510 5.135 0.055 12 0 "[ . 1 . 2]" 1
894 1 40 TRP HB3 1 45 LEU QD . . 4.650 4.294 3.446 4.597 . 0 0 "[ . 1 . 2]" 1
895 1 40 TRP HB3 1 54 TRP HD1 . . 4.940 3.079 2.446 4.103 . 0 0 "[ . 1 . 2]" 1
896 1 40 TRP HB3 1 54 TRP HE1 . . 5.500 4.602 3.906 5.572 0.072 12 0 "[ . 1 . 2]" 1
897 1 40 TRP HD1 1 54 TRP HD1 . . 4.620 3.720 3.050 4.678 0.058 12 0 "[ . 1 . 2]" 1
898 1 40 TRP HE1 1 47 ALA HA . . 5.500 4.688 3.949 5.247 . 0 0 "[ . 1 . 2]" 1
899 1 40 TRP HE1 1 47 ALA MB . . 5.500 4.945 4.367 5.537 0.037 20 0 "[ . 1 . 2]" 1
900 1 40 TRP HE1 1 48 PRO HB3 . . 5.500 5.238 4.805 5.565 0.065 12 0 "[ . 1 . 2]" 1
901 1 40 TRP HE1 1 48 PRO HD2 . . 5.340 3.481 2.943 4.082 . 0 0 "[ . 1 . 2]" 1
902 1 40 TRP HE1 1 48 PRO HD3 . . 5.010 3.323 3.010 3.828 . 0 0 "[ . 1 . 2]" 1
903 1 40 TRP HE1 1 48 PRO HG2 . . 5.500 4.275 3.712 4.714 . 0 0 "[ . 1 . 2]" 1
904 1 40 TRP HE1 1 48 PRO HG3 . . 5.500 3.280 2.807 3.653 . 0 0 "[ . 1 . 2]" 1
905 1 40 TRP HE3 1 41 GLN HA . . 4.020 2.908 2.277 3.669 . 0 0 "[ . 1 . 2]" 1
906 1 40 TRP HE3 1 45 LEU HB2 . . 4.980 4.427 3.651 4.990 0.010 14 0 "[ . 1 . 2]" 1
907 1 40 TRP HE3 1 45 LEU HB3 . . 5.280 4.965 4.324 5.352 0.072 15 0 "[ . 1 . 2]" 1
908 1 40 TRP HE3 1 46 PRO HA . . 4.560 4.429 3.863 4.640 0.080 20 0 "[ . 1 . 2]" 1
909 1 40 TRP HE3 1 47 ALA HA . . 4.690 3.262 2.913 3.621 . 0 0 "[ . 1 . 2]" 1
910 1 40 TRP HE3 1 47 ALA MB . . 4.300 4.245 3.977 4.402 0.102 12 0 "[ . 1 . 2]" 1
911 1 40 TRP HH2 1 41 GLN HG2 . . 4.880 4.293 3.075 5.737 0.857 16 1 "[ . 1 .+ 2]" 1
912 1 40 TRP HH2 1 47 ALA HA . . 4.670 3.619 3.315 4.183 . 0 0 "[ . 1 . 2]" 1
913 1 40 TRP HH2 1 47 ALA MB . . 3.490 2.552 2.237 2.835 . 0 0 "[ . 1 . 2]" 1
914 1 40 TRP HZ2 1 47 ALA HA . . 4.860 3.869 3.438 4.232 . 0 0 "[ . 1 . 2]" 1
915 1 40 TRP HZ2 1 47 ALA MB . . 3.800 3.356 2.934 3.863 0.063 7 0 "[ . 1 . 2]" 1
916 1 40 TRP HZ2 1 48 PRO HD2 . . 4.260 3.046 2.687 3.648 . 0 0 "[ . 1 . 2]" 1
917 1 41 GLN H 1 41 GLN HB3 . . 4.180 3.296 2.520 3.681 . 0 0 "[ . 1 . 2]" 1
918 1 41 GLN H 1 41 GLN HG3 . . 5.500 3.448 1.971 4.426 . 0 0 "[ . 1 . 2]" 1
919 1 41 GLN H 1 42 GLN H . . 4.080 2.847 2.465 3.341 . 0 0 "[ . 1 . 2]" 1
920 1 41 GLN H 1 43 ARG H . . 5.500 4.427 3.940 5.079 . 0 0 "[ . 1 . 2]" 1
921 1 41 GLN HB2 1 42 GLN H . . 5.130 3.278 2.443 3.990 . 0 0 "[ . 1 . 2]" 1
922 1 41 GLN HB3 1 42 GLN H . . 4.440 3.334 2.589 3.924 . 0 0 "[ . 1 . 2]" 1
923 1 42 GLN H 1 42 GLN QB . . 3.490 2.316 1.947 2.502 . 0 0 "[ . 1 . 2]" 1
924 1 42 GLN H 1 42 GLN HG2 . . 4.180 3.504 2.585 4.075 . 0 0 "[ . 1 . 2]" 1
925 1 42 GLN H 1 42 GLN HG3 . . 4.060 3.078 2.325 4.274 0.214 16 0 "[ . 1 . 2]" 1
926 1 42 GLN H 1 43 ARG H . . 3.710 2.846 1.996 3.292 . 0 0 "[ . 1 . 2]" 1
927 1 42 GLN HA 1 42 GLN HE22 . . 5.500 5.110 3.639 5.971 0.471 7 0 "[ . 1 . 2]" 1
928 1 42 GLN QB 1 43 ARG H . . 5.030 3.573 2.887 3.953 . 0 0 "[ . 1 . 2]" 1
929 1 42 GLN QB 1 43 ARG HG2 . . 4.790 4.035 3.272 5.721 0.931 2 2 "[ + . - . 2]" 1
930 1 42 GLN HE22 1 42 GLN HG2 . . 4.030 3.679 3.507 4.117 0.087 11 0 "[ . 1 . 2]" 1
931 1 42 GLN HG2 1 43 ARG H . . 5.500 5.060 4.799 5.453 . 0 0 "[ . 1 . 2]" 1
932 1 42 GLN HG3 1 43 ARG H . . 5.380 5.208 4.770 5.579 0.199 16 0 "[ . 1 . 2]" 1
933 1 43 ARG H 1 43 ARG HB3 . . 4.020 3.772 3.529 3.973 . 0 0 "[ . 1 . 2]" 1
934 1 43 ARG H 1 43 ARG HG2 . . 5.060 3.626 2.309 4.751 . 0 0 "[ . 1 . 2]" 1
935 1 43 ARG H 1 43 ARG HG3 . . 4.890 3.516 2.448 4.507 . 0 0 "[ . 1 . 2]" 1
936 1 43 ARG H 1 44 ASN H . . 4.640 3.914 2.272 4.502 . 0 0 "[ . 1 . 2]" 1
937 1 43 ARG H 1 45 LEU H . . 5.120 4.137 2.921 4.755 . 0 0 "[ . 1 . 2]" 1
938 1 43 ARG H 1 45 LEU QD . . 5.500 4.898 4.214 5.434 . 0 0 "[ . 1 . 2]" 1
939 1 43 ARG HB2 1 45 LEU QD . . 4.800 2.796 2.183 3.320 . 0 0 "[ . 1 . 2]" 1
940 1 43 ARG HB3 1 45 LEU QD . . 5.040 2.697 2.117 3.817 . 0 0 "[ . 1 . 2]" 1
941 1 43 ARG HB3 1 45 LEU HG . . 4.940 4.270 3.071 4.992 0.052 16 0 "[ . 1 . 2]" 1
942 1 43 ARG HD2 1 45 LEU QD . . 5.500 3.816 2.554 5.503 0.003 20 0 "[ . 1 . 2]" 1
943 1 43 ARG HD2 1 80 PHE QD . . 5.290 3.638 2.225 5.379 0.089 20 0 "[ . 1 . 2]" 1
944 1 43 ARG HD3 1 45 LEU QD . . 5.500 3.890 2.268 4.836 . 0 0 "[ . 1 . 2]" 1
945 1 43 ARG HG2 1 80 PHE QD . . 5.500 3.750 2.160 5.577 0.077 15 0 "[ . 1 . 2]" 1
946 1 43 ARG HG3 1 80 PHE QD . . 5.420 4.454 2.277 5.410 . 0 0 "[ . 1 . 2]" 1
947 1 44 ASN H 1 45 LEU H . . 4.280 2.747 2.372 3.697 . 0 0 "[ . 1 . 2]" 1
948 1 44 ASN H 1 45 LEU HG . . 5.500 4.919 3.983 5.585 0.085 12 0 "[ . 1 . 2]" 1
949 1 44 ASN QB 1 45 LEU H . . 5.500 3.376 2.761 3.979 . 0 0 "[ . 1 . 2]" 1
950 1 44 ASN QB 1 79 ILE MD . . 5.150 3.047 2.274 4.224 . 0 0 "[ . 1 . 2]" 1
951 1 44 ASN QB 1 79 ILE HG12 . . 4.180 2.370 2.003 3.574 . 0 0 "[ . 1 . 2]" 1
952 1 44 ASN QB 1 79 ILE MG . . 5.320 3.661 2.521 5.179 . 0 0 "[ . 1 . 2]" 1
953 1 44 ASN QD 1 79 ILE HG12 . . 5.500 4.288 3.125 5.351 . 0 0 "[ . 1 . 2]" 1
954 1 44 ASN QD 1 82 HIS H . . 4.600 3.854 2.370 4.558 . 0 0 "[ . 1 . 2]" 1
955 1 44 ASN QD 1 82 HIS HB3 . . 4.200 2.802 2.116 3.340 . 0 0 "[ . 1 . 2]" 1
956 1 44 ASN QD 1 83 ARG H . . 5.320 3.679 2.626 4.975 . 0 0 "[ . 1 . 2]" 1
957 1 44 ASN QD 1 83 ARG HA . . 5.500 3.091 1.721 4.489 . 0 0 "[ . 1 . 2]" 1
958 1 45 LEU H 1 45 LEU HB2 . . 3.950 2.360 2.079 2.600 . 0 0 "[ . 1 . 2]" 1
959 1 45 LEU H 1 45 LEU QD . . 4.610 2.859 2.027 3.762 . 0 0 "[ . 1 . 2]" 1
960 1 45 LEU H 1 45 LEU HG . . 3.860 3.127 2.163 3.943 0.083 8 0 "[ . 1 . 2]" 1
961 1 45 LEU H 1 46 PRO HD2 . . 5.500 4.870 4.689 5.015 . 0 0 "[ . 1 . 2]" 1
962 1 45 LEU H 1 46 PRO HD3 . . 5.500 5.054 4.859 5.141 . 0 0 "[ . 1 . 2]" 1
963 1 45 LEU HB2 1 46 PRO HD2 . . 4.760 3.861 3.705 4.101 . 0 0 "[ . 1 . 2]" 1
964 1 45 LEU HB2 1 54 TRP HE1 . . 5.500 4.942 3.752 5.567 0.067 6 0 "[ . 1 . 2]" 1
965 1 45 LEU HB3 1 46 PRO HD2 . . 3.990 2.316 2.061 2.640 . 0 0 "[ . 1 . 2]" 1
966 1 45 LEU HB3 1 46 PRO HG3 . . 5.190 4.913 4.659 5.235 0.045 20 0 "[ . 1 . 2]" 1
967 1 45 LEU HB3 1 54 TRP HE1 . . 4.980 3.861 2.779 4.614 . 0 0 "[ . 1 . 2]" 1
968 1 45 LEU HB3 1 54 TRP HZ2 . . 4.260 4.083 3.187 4.344 0.084 10 0 "[ . 1 . 2]" 1
969 1 45 LEU QD 1 46 PRO HD2 . . 4.250 2.326 1.985 2.908 . 0 0 "[ . 1 . 2]" 1
970 1 45 LEU QD 1 46 PRO HG3 . . 4.950 4.289 3.647 4.903 . 0 0 "[ . 1 . 2]" 1
971 1 45 LEU QD 1 54 TRP HB2 . . 5.160 4.473 3.343 4.964 . 0 0 "[ . 1 . 2]" 1
972 1 45 LEU QD 1 54 TRP HB3 . . 4.740 3.851 2.953 4.357 . 0 0 "[ . 1 . 2]" 1
973 1 45 LEU QD 1 54 TRP HE1 . . 5.500 4.423 3.858 4.841 . 0 0 "[ . 1 . 2]" 1
974 1 45 LEU QD 1 54 TRP HE3 . . 4.870 3.588 3.117 4.058 . 0 0 "[ . 1 . 2]" 1
975 1 45 LEU QD 1 54 TRP HZ2 . . 4.210 3.834 3.520 4.181 . 0 0 "[ . 1 . 2]" 1
976 1 45 LEU QD 1 61 TYR H . . 5.390 4.398 4.037 4.898 . 0 0 "[ . 1 . 2]" 1
977 1 45 LEU QD 1 61 TYR HB2 . . 3.720 2.619 2.239 3.160 . 0 0 "[ . 1 . 2]" 1
978 1 45 LEU QD 1 61 TYR HB3 . . 3.480 2.719 2.343 3.251 . 0 0 "[ . 1 . 2]" 1
979 1 45 LEU QD 1 61 TYR QD . . 3.180 2.752 2.467 3.072 . 0 0 "[ . 1 . 2]" 1
980 1 45 LEU QD 1 61 TYR QE . . 3.720 3.520 3.070 3.737 0.017 16 0 "[ . 1 . 2]" 1
981 1 45 LEU QD 1 75 TYR H . . 5.280 4.139 3.840 4.391 . 0 0 "[ . 1 . 2]" 1
982 1 45 LEU QD 1 75 TYR HB2 . . 3.320 2.210 2.060 2.412 . 0 0 "[ . 1 . 2]" 1
983 1 45 LEU QD 1 75 TYR HB3 . . 4.060 2.909 2.539 3.290 . 0 0 "[ . 1 . 2]" 1
984 1 45 LEU QD 1 75 TYR QD . . 3.320 2.455 2.008 2.976 . 0 0 "[ . 1 . 2]" 1
985 1 45 LEU QD 1 75 TYR QE . . 3.880 3.540 3.142 3.933 0.053 8 0 "[ . 1 . 2]" 1
986 1 45 LEU QD 1 79 ILE HB . . 5.500 3.949 3.722 4.513 . 0 0 "[ . 1 . 2]" 1
987 1 45 LEU QD 1 79 ILE MD . . 3.750 2.125 1.975 2.909 . 0 0 "[ . 1 . 2]" 1
988 1 45 LEU QD 1 79 ILE MG . . 3.930 2.089 1.892 2.384 . 0 0 "[ . 1 . 2]" 1
989 1 45 LEU HG 1 75 TYR HB2 . . 5.500 4.605 4.206 4.893 . 0 0 "[ . 1 . 2]" 1
990 1 46 PRO HA 1 47 ALA H . . 2.900 2.377 2.275 2.488 . 0 0 "[ . 1 . 2]" 1
991 1 46 PRO HA 1 47 ALA MB . . 4.380 4.118 4.022 4.197 . 0 0 "[ . 1 . 2]" 1
992 1 46 PRO HB2 1 47 ALA H . . 3.990 2.615 2.312 2.825 . 0 0 "[ . 1 . 2]" 1
993 1 46 PRO HB2 1 47 ALA MB . . 5.500 3.855 3.611 4.190 . 0 0 "[ . 1 . 2]" 1
994 1 46 PRO HB2 1 54 TRP HZ2 . . 3.890 3.933 3.787 3.973 0.083 3 0 "[ . 1 . 2]" 1
995 1 46 PRO HB2 1 73 LYS QE . . 4.500 3.811 3.226 4.418 . 0 0 "[ . 1 . 2]" 1
996 1 46 PRO HB3 1 47 ALA H . . 4.220 3.421 3.280 3.553 . 0 0 "[ . 1 . 2]" 1
997 1 46 PRO HB3 1 54 TRP HZ2 . . 5.020 4.985 4.890 5.067 0.047 17 0 "[ . 1 . 2]" 1
998 1 46 PRO HB3 1 73 LYS QE . . 4.510 4.423 4.219 4.471 . 0 0 "[ . 1 . 2]" 1
999 1 46 PRO HB3 1 75 TYR QE . . 5.500 5.074 4.437 5.451 . 0 0 "[ . 1 . 2]" 1
1000 1 46 PRO HD2 1 54 TRP HE1 . . 5.500 4.393 3.361 4.783 . 0 0 "[ . 1 . 2]" 1
1001 1 46 PRO HD2 1 54 TRP HH2 . . 4.570 4.002 3.349 4.394 . 0 0 "[ . 1 . 2]" 1
1002 1 46 PRO HD2 1 54 TRP HZ2 . . 3.310 3.176 2.351 3.392 0.082 9 0 "[ . 1 . 2]" 1
1003 1 46 PRO HD2 1 75 TYR QD . . 4.840 3.740 3.107 4.269 . 0 0 "[ . 1 . 2]" 1
1004 1 46 PRO HD2 1 75 TYR QE . . 4.000 3.353 2.542 4.090 0.090 9 0 "[ . 1 . 2]" 1
1005 1 46 PRO HD2 1 79 ILE MD . . 5.480 4.146 3.650 4.908 . 0 0 "[ . 1 . 2]" 1
1006 1 46 PRO HG3 1 47 ALA H . . 5.070 5.078 4.845 5.160 0.090 17 0 "[ . 1 . 2]" 1
1007 1 46 PRO HG3 1 54 TRP HE1 . . 5.470 5.518 5.207 5.687 0.217 17 0 "[ . 1 . 2]" 1
1008 1 46 PRO HG3 1 54 TRP HH2 . . 4.780 4.411 4.051 4.838 0.058 20 0 "[ . 1 . 2]" 1
1009 1 46 PRO HG3 1 54 TRP HZ2 . . 3.690 3.583 3.477 3.728 0.038 15 0 "[ . 1 . 2]" 1
1010 1 46 PRO HG3 1 73 LYS QE . . 3.490 3.021 2.460 3.459 . 0 0 "[ . 1 . 2]" 1
1011 1 46 PRO HG3 1 75 TYR QE . . 3.130 2.881 2.192 3.234 0.104 8 0 "[ . 1 . 2]" 1
1012 1 46 PRO HG3 1 79 ILE MD . . 5.500 5.384 4.837 5.589 0.089 19 0 "[ . 1 . 2]" 1
1013 1 47 ALA H 1 47 ALA MB . . 3.440 2.201 2.126 2.268 . 0 0 "[ . 1 . 2]" 1
1014 1 47 ALA MB 1 48 PRO HB2 . . 5.500 5.188 4.874 5.504 0.004 1 0 "[ . 1 . 2]" 1
1015 1 47 ALA MB 1 48 PRO HD3 . . 5.470 3.533 3.453 3.641 . 0 0 "[ . 1 . 2]" 1
1016 1 47 ALA MB 1 54 TRP HE1 . . 5.500 4.713 4.309 5.249 . 0 0 "[ . 1 . 2]" 1
1017 1 48 PRO HA 1 54 TRP HE1 . . 4.880 2.977 2.337 3.674 . 0 0 "[ . 1 . 2]" 1
1018 1 48 PRO HB2 1 49 ASP H . . 4.540 2.490 1.910 2.855 . 0 0 "[ . 1 . 2]" 1
1019 1 48 PRO HB2 1 52 SER H . . 4.950 3.422 3.131 3.917 . 0 0 "[ . 1 . 2]" 1
1020 1 48 PRO HB2 1 54 TRP HD1 . . 5.410 4.808 4.315 5.239 . 0 0 "[ . 1 . 2]" 1
1021 1 48 PRO HB2 1 54 TRP HE1 . . 5.500 5.022 4.461 5.369 . 0 0 "[ . 1 . 2]" 1
1022 1 48 PRO HB2 1 63 LEU QD . . 3.780 2.562 2.060 3.032 . 0 0 "[ . 1 . 2]" 1
1023 1 48 PRO HB3 1 52 SER H . . 5.390 4.937 4.565 5.460 0.070 17 0 "[ . 1 . 2]" 1
1024 1 48 PRO HB3 1 54 TRP H . . 5.500 3.827 3.401 4.303 . 0 0 "[ . 1 . 2]" 1
1025 1 48 PRO HB3 1 54 TRP HD1 . . 4.330 3.056 2.594 3.505 . 0 0 "[ . 1 . 2]" 1
1026 1 48 PRO HB3 1 54 TRP HE1 . . 5.500 3.608 2.861 3.939 . 0 0 "[ . 1 . 2]" 1
1027 1 48 PRO HD2 1 54 TRP HE1 . . 5.500 4.572 4.307 4.882 . 0 0 "[ . 1 . 2]" 1
1028 1 48 PRO HD3 1 54 TRP HD1 . . 5.320 3.084 2.857 3.797 . 0 0 "[ . 1 . 2]" 1
1029 1 48 PRO HD3 1 54 TRP HE1 . . 4.930 3.289 2.985 3.699 . 0 0 "[ . 1 . 2]" 1
1030 1 48 PRO HG2 1 54 TRP HD1 . . 5.270 5.280 4.970 5.562 0.292 18 0 "[ . 1 . 2]" 1
1031 1 48 PRO HG2 1 63 LEU QD . . 5.500 4.291 3.830 4.668 . 0 0 "[ . 1 . 2]" 1
1032 1 48 PRO HG3 1 54 TRP HD1 . . 5.500 4.023 3.662 4.433 . 0 0 "[ . 1 . 2]" 1
1033 1 48 PRO HG3 1 54 TRP HE1 . . 5.500 4.987 4.440 5.368 . 0 0 "[ . 1 . 2]" 1
1034 1 49 ASP H 1 49 ASP HB2 . . 3.610 2.483 2.221 3.401 . 0 0 "[ . 1 . 2]" 1
1035 1 49 ASP H 1 49 ASP HB3 . . 3.770 3.528 2.696 3.746 . 0 0 "[ . 1 . 2]" 1
1036 1 49 ASP H 1 50 ALA H . . 4.890 4.458 4.132 4.584 . 0 0 "[ . 1 . 2]" 1
1037 1 49 ASP H 1 52 SER H . . 4.950 4.212 3.268 4.661 . 0 0 "[ . 1 . 2]" 1
1038 1 49 ASP H 1 63 LEU QD . . 3.780 2.204 1.810 3.498 . 0 0 "[ . 1 . 2]" 1
1039 1 49 ASP H 1 63 LEU HG . . 5.500 4.046 3.522 5.595 0.095 17 0 "[ . 1 . 2]" 1
1040 1 49 ASP H 1 72 LEU QD . . 5.090 3.638 3.100 4.664 . 0 0 "[ . 1 . 2]" 1
1041 1 49 ASP HA 1 50 ALA H . . 2.780 2.473 2.255 2.851 0.071 17 0 "[ . 1 . 2]" 1
1042 1 49 ASP HB2 1 50 ALA H . . 3.990 3.631 2.985 3.907 . 0 0 "[ . 1 . 2]" 1
1043 1 49 ASP HB2 1 50 ALA MB . . 4.940 4.988 4.207 5.060 0.120 13 0 "[ . 1 . 2]" 1
1044 1 49 ASP HB2 1 52 SER H . . 5.430 4.701 3.353 5.506 0.076 11 0 "[ . 1 . 2]" 1
1045 1 49 ASP HB2 1 52 SER HB2 . . 5.200 4.086 3.605 4.822 . 0 0 "[ . 1 . 2]" 1
1046 1 49 ASP HB2 1 63 LEU QD . . 4.890 3.049 2.520 3.848 . 0 0 "[ . 1 . 2]" 1
1047 1 49 ASP HB2 1 72 LEU QD . . 4.250 2.679 2.160 3.917 . 0 0 "[ . 1 . 2]" 1
1048 1 49 ASP HB3 1 50 ALA H . . 3.370 2.386 1.921 3.212 . 0 0 "[ . 1 . 2]" 1
1049 1 49 ASP HB3 1 50 ALA MB . . 4.350 3.863 3.481 4.153 . 0 0 "[ . 1 . 2]" 1
1050 1 49 ASP HB3 1 52 SER H . . 5.360 5.040 3.682 5.436 0.076 9 0 "[ . 1 . 2]" 1
1051 1 49 ASP HB3 1 63 LEU QD . . 5.100 4.226 3.279 4.815 . 0 0 "[ . 1 . 2]" 1
1052 1 49 ASP HB3 1 72 LEU QD . . 4.660 3.544 3.066 4.228 . 0 0 "[ . 1 . 2]" 1
1053 1 50 ALA H 1 50 ALA MB . . 3.000 2.134 2.005 2.242 . 0 0 "[ . 1 . 2]" 1
1054 1 50 ALA H 1 51 GLY H . . 4.520 3.917 2.992 4.474 . 0 0 "[ . 1 . 2]" 1
1055 1 50 ALA H 1 52 SER H . . 5.500 5.091 4.316 5.459 . 0 0 "[ . 1 . 2]" 1
1056 1 50 ALA HA 1 51 GLY H . . 2.670 2.449 2.206 2.746 0.076 5 0 "[ . 1 . 2]" 1
1057 1 50 ALA HA 1 52 SER H . . 4.400 4.126 3.739 4.484 0.084 17 0 "[ . 1 . 2]" 1
1058 1 50 ALA MB 1 51 GLY H . . 3.640 3.595 3.413 3.721 0.081 10 0 "[ . 1 . 2]" 1
1059 1 50 ALA MB 1 51 GLY HA2 . . 4.880 4.764 4.631 4.955 0.075 15 0 "[ . 1 . 2]" 1
1060 1 51 GLY H 1 52 SER H . . 3.050 2.146 1.748 2.837 . 0 0 "[ . 1 . 2]" 1
1061 1 51 GLY HA2 1 66 ASP H . . 5.130 4.443 4.103 5.071 . 0 0 "[ . 1 . 2]" 1
1062 1 51 GLY HA3 1 66 ASP H . . 4.960 4.366 4.085 5.165 0.205 9 0 "[ . 1 . 2]" 1
1063 1 52 SER H 1 52 SER HB2 . . 4.130 3.881 3.621 3.977 . 0 0 "[ . 1 . 2]" 1
1064 1 52 SER H 1 52 SER HB3 . . 3.770 3.378 2.797 3.625 . 0 0 "[ . 1 . 2]" 1
1065 1 52 SER H 1 53 HIS H . . 4.520 4.413 4.300 4.580 0.060 6 0 "[ . 1 . 2]" 1
1066 1 52 SER H 1 63 LEU QD . . 5.500 4.269 4.059 4.458 . 0 0 "[ . 1 . 2]" 1
1067 1 52 SER H 1 65 THR HA . . 5.290 4.591 4.223 4.830 . 0 0 "[ . 1 . 2]" 1
1068 1 52 SER H 1 65 THR MG . . 5.000 4.691 3.893 5.076 0.076 10 0 "[ . 1 . 2]" 1
1069 1 52 SER H 1 66 ASP H . . 4.640 4.394 4.226 4.645 0.005 9 0 "[ . 1 . 2]" 1
1070 1 52 SER H 1 72 LEU QD . . 5.410 4.968 4.278 5.381 . 0 0 "[ . 1 . 2]" 1
1071 1 52 SER HA 1 53 HIS H . . 2.980 2.486 2.414 2.568 . 0 0 "[ . 1 . 2]" 1
1072 1 52 SER HA 1 64 ILE H . . 5.500 4.799 4.663 4.969 . 0 0 "[ . 1 . 2]" 1
1073 1 52 SER HA 1 65 THR H . . 4.920 4.728 4.545 4.852 . 0 0 "[ . 1 . 2]" 1
1074 1 52 SER HA 1 66 ASP H . . 3.020 2.284 2.055 2.506 . 0 0 "[ . 1 . 2]" 1
1075 1 52 SER HA 1 67 THR H . . 5.250 4.843 4.658 5.073 . 0 0 "[ . 1 . 2]" 1
1076 1 52 SER HB2 1 53 HIS H . . 3.190 2.438 2.245 2.542 . 0 0 "[ . 1 . 2]" 1
1077 1 52 SER HB2 1 63 LEU QD . . 3.870 2.326 2.081 2.565 . 0 0 "[ . 1 . 2]" 1
1078 1 52 SER HB2 1 63 LEU HG . . 4.530 2.740 2.333 2.989 . 0 0 "[ . 1 . 2]" 1
1079 1 52 SER HB2 1 64 ILE H . . 5.140 3.524 3.226 3.877 . 0 0 "[ . 1 . 2]" 1
1080 1 52 SER HB2 1 65 THR H . . 5.500 4.303 3.877 4.657 . 0 0 "[ . 1 . 2]" 1
1081 1 52 SER HB2 1 65 THR MG . . 4.480 3.636 3.156 4.122 . 0 0 "[ . 1 . 2]" 1
1082 1 52 SER HB2 1 66 ASP H . . 4.390 4.403 4.194 4.468 0.078 6 0 "[ . 1 . 2]" 1
1083 1 52 SER HB2 1 72 LEU QB . . 4.800 4.442 4.168 4.839 0.039 13 0 "[ . 1 . 2]" 1
1084 1 52 SER HB2 1 72 LEU QD . . 3.700 2.618 2.188 3.071 . 0 0 "[ . 1 . 2]" 1
1085 1 52 SER HB3 1 53 HIS H . . 3.870 3.772 3.552 3.899 0.029 2 0 "[ . 1 . 2]" 1
1086 1 52 SER HB3 1 65 THR H . . 5.500 4.326 3.717 4.935 . 0 0 "[ . 1 . 2]" 1
1087 1 52 SER HB3 1 66 ASP H . . 4.150 3.753 3.333 4.206 0.056 9 0 "[ . 1 . 2]" 1
1088 1 53 HIS H 1 54 TRP H . . 4.860 4.351 4.294 4.416 . 0 0 "[ . 1 . 2]" 1
1089 1 53 HIS H 1 63 LEU HA . . 4.680 4.214 4.030 4.465 . 0 0 "[ . 1 . 2]" 1
1090 1 53 HIS H 1 63 LEU QD . . 3.850 2.565 2.384 3.089 . 0 0 "[ . 1 . 2]" 1
1091 1 53 HIS H 1 63 LEU HG . . 4.220 4.256 4.083 4.297 0.077 19 0 "[ . 1 . 2]" 1
1092 1 53 HIS H 1 64 ILE H . . 3.640 2.834 2.732 2.967 . 0 0 "[ . 1 . 2]" 1
1093 1 53 HIS H 1 64 ILE HA . . 5.450 4.783 4.684 4.984 . 0 0 "[ . 1 . 2]" 1
1094 1 53 HIS H 1 64 ILE HB . . 5.500 5.081 4.716 5.352 . 0 0 "[ . 1 . 2]" 1
1095 1 53 HIS H 1 64 ILE MD . . 4.580 4.281 3.725 4.676 0.096 3 0 "[ . 1 . 2]" 1
1096 1 53 HIS H 1 64 ILE HG12 . . 5.130 4.320 3.650 5.120 . 0 0 "[ . 1 . 2]" 1
1097 1 53 HIS H 1 64 ILE HG13 . . 4.510 3.080 2.573 3.369 . 0 0 "[ . 1 . 2]" 1
1098 1 53 HIS H 1 65 THR HA . . 4.150 3.851 3.631 4.036 . 0 0 "[ . 1 . 2]" 1
1099 1 53 HIS H 1 65 THR MG . . 5.500 5.132 4.820 5.395 . 0 0 "[ . 1 . 2]" 1
1100 1 53 HIS H 1 72 LEU QD . . 5.500 4.513 3.929 4.979 . 0 0 "[ . 1 . 2]" 1
1101 1 53 HIS HA 1 54 TRP H . . 3.560 2.320 2.180 2.477 . 0 0 "[ . 1 . 2]" 1
1102 1 53 HIS HB2 1 53 HIS HD2 . . 3.940 2.914 2.509 3.785 . 0 0 "[ . 1 . 2]" 1
1103 1 53 HIS HB2 1 54 TRP H . . 3.860 2.801 2.225 3.958 0.098 20 0 "[ . 1 . 2]" 1
1104 1 53 HIS HB2 1 63 LEU QD . . 5.500 4.450 4.400 4.631 . 0 0 "[ . 1 . 2]" 1
1105 1 53 HIS HB3 1 54 TRP H . . 3.900 3.716 3.371 3.938 0.038 7 0 "[ . 1 . 2]" 1
1106 1 53 HIS HB3 1 63 LEU QD . . 4.350 4.492 4.289 4.661 0.311 8 0 "[ . 1 . 2]" 1
1107 1 53 HIS HD2 1 54 TRP H . . 4.320 3.812 3.102 4.386 0.066 14 0 "[ . 1 . 2]" 1
1108 1 53 HIS HD2 1 55 THR HA . . 4.830 3.974 3.307 4.389 . 0 0 "[ . 1 . 2]" 1
1109 1 53 HIS HD2 1 55 THR HB . . 4.720 4.569 2.967 4.806 0.086 16 0 "[ . 1 . 2]" 1
1110 1 53 HIS HD2 1 55 THR MG . . 3.690 2.337 2.055 3.774 0.084 13 0 "[ . 1 . 2]" 1
1111 1 53 HIS HD2 1 64 ILE MD . . 4.730 3.770 2.842 4.635 . 0 0 "[ . 1 . 2]" 1
1112 1 54 TRP H 1 54 TRP HB2 . . 3.660 2.359 2.261 2.519 . 0 0 "[ . 1 . 2]" 1
1113 1 54 TRP H 1 54 TRP HB3 . . 4.210 3.580 3.508 3.687 . 0 0 "[ . 1 . 2]" 1
1114 1 54 TRP H 1 54 TRP HD1 . . 4.050 2.963 2.598 3.255 . 0 0 "[ . 1 . 2]" 1
1115 1 54 TRP H 1 63 LEU QD . . 4.360 3.350 3.095 3.674 . 0 0 "[ . 1 . 2]" 1
1116 1 54 TRP HA 1 54 TRP HE3 . . 3.290 2.977 2.539 3.230 . 0 0 "[ . 1 . 2]" 1
1117 1 54 TRP HA 1 55 THR H . . 3.040 2.272 2.157 2.380 . 0 0 "[ . 1 . 2]" 1
1118 1 54 TRP HA 1 62 VAL H . . 5.350 4.251 3.908 4.669 . 0 0 "[ . 1 . 2]" 1
1119 1 54 TRP HA 1 64 ILE H . . 4.600 3.530 3.274 3.769 . 0 0 "[ . 1 . 2]" 1
1120 1 54 TRP HB2 1 54 TRP HD1 . . 3.860 2.684 2.610 2.773 . 0 0 "[ . 1 . 2]" 1
1121 1 54 TRP HB2 1 54 TRP HE3 . . 4.120 4.165 4.123 4.195 0.075 18 0 "[ . 1 . 2]" 1
1122 1 54 TRP HB2 1 55 THR H . . 4.380 4.178 3.959 4.428 0.048 11 0 "[ . 1 . 2]" 1
1123 1 54 TRP HB3 1 54 TRP HE3 . . 3.390 2.663 2.582 2.814 . 0 0 "[ . 1 . 2]" 1
1124 1 54 TRP HB3 1 55 THR H . . 3.770 3.102 2.809 3.497 . 0 0 "[ . 1 . 2]" 1
1125 1 54 TRP HB3 1 62 VAL H . . 5.040 4.357 4.087 5.111 0.071 1 0 "[ . 1 . 2]" 1
1126 1 54 TRP HD1 1 63 LEU QD . . 4.770 3.267 2.848 3.761 . 0 0 "[ . 1 . 2]" 1
1127 1 54 TRP HE1 1 63 LEU QD . . 4.740 3.081 2.746 3.542 . 0 0 "[ . 1 . 2]" 1
1128 1 54 TRP HE3 1 55 THR H . . 3.540 3.411 2.861 3.615 0.075 13 0 "[ . 1 . 2]" 1
1129 1 54 TRP HE3 1 61 TYR HA . . 4.270 3.984 3.786 4.325 0.055 18 0 "[ . 1 . 2]" 1
1130 1 54 TRP HE3 1 61 TYR HB2 . . 4.020 3.897 3.349 4.078 0.058 18 0 "[ . 1 . 2]" 1
1131 1 54 TRP HE3 1 61 TYR HB3 . . 3.390 2.725 2.518 2.922 . 0 0 "[ . 1 . 2]" 1
1132 1 54 TRP HE3 1 62 VAL H . . 3.580 3.234 2.981 3.633 0.053 16 0 "[ . 1 . 2]" 1
1133 1 54 TRP HE3 1 62 VAL HA . . 4.460 3.385 2.950 3.822 . 0 0 "[ . 1 . 2]" 1
1134 1 54 TRP HE3 1 63 LEU H . . 4.520 3.862 3.416 4.183 . 0 0 "[ . 1 . 2]" 1
1135 1 54 TRP HE3 1 63 LEU HA . . 3.920 3.645 3.406 3.777 . 0 0 "[ . 1 . 2]" 1
1136 1 54 TRP HE3 1 63 LEU HB2 . . 4.520 3.517 3.306 3.719 . 0 0 "[ . 1 . 2]" 1
1137 1 54 TRP HE3 1 63 LEU HB3 . . 4.840 4.847 4.571 4.910 0.070 18 0 "[ . 1 . 2]" 1
1138 1 54 TRP HE3 1 63 LEU QD . . 4.470 4.046 3.728 4.290 . 0 0 "[ . 1 . 2]" 1
1139 1 54 TRP HH2 1 63 LEU HB2 . . 4.240 3.320 3.109 3.518 . 0 0 "[ . 1 . 2]" 1
1140 1 54 TRP HH2 1 63 LEU HB3 . . 4.470 3.996 3.842 4.319 . 0 0 "[ . 1 . 2]" 1
1141 1 54 TRP HH2 1 63 LEU QD . . 5.130 3.629 3.337 3.933 . 0 0 "[ . 1 . 2]" 1
1142 1 54 TRP HH2 1 73 LYS HB2 . . 3.980 2.468 2.238 2.623 . 0 0 "[ . 1 . 2]" 1
1143 1 54 TRP HH2 1 73 LYS HB3 . . 4.410 2.523 2.275 2.735 . 0 0 "[ . 1 . 2]" 1
1144 1 54 TRP HH2 1 73 LYS HD2 . . 4.790 3.765 2.462 4.869 0.079 2 0 "[ . 1 . 2]" 1
1145 1 54 TRP HH2 1 73 LYS HD3 . . 4.730 3.724 2.362 4.868 0.138 7 0 "[ . 1 . 2]" 1
1146 1 54 TRP HH2 1 73 LYS HG2 . . 5.270 4.619 4.292 4.951 . 0 0 "[ . 1 . 2]" 1
1147 1 54 TRP HH2 1 73 LYS HG3 . . 5.100 4.587 4.188 4.933 . 0 0 "[ . 1 . 2]" 1
1148 1 54 TRP HH2 1 75 TYR QE . . 3.760 2.454 2.167 2.984 . 0 0 "[ . 1 . 2]" 1
1149 1 54 TRP HZ2 1 63 LEU HB2 . . 4.280 3.514 3.255 3.862 . 0 0 "[ . 1 . 2]" 1
1150 1 54 TRP HZ2 1 63 LEU QD . . 3.990 2.776 2.512 3.180 . 0 0 "[ . 1 . 2]" 1
1151 1 54 TRP HZ2 1 73 LYS HB2 . . 4.120 3.853 3.484 4.126 0.006 19 0 "[ . 1 . 2]" 1
1152 1 54 TRP HZ2 1 73 LYS HD2 . . 5.110 4.089 2.433 5.197 0.087 2 0 "[ . 1 . 2]" 1
1153 1 54 TRP HZ2 1 73 LYS HD3 . . 5.430 4.025 2.655 5.505 0.075 12 0 "[ . 1 . 2]" 1
1154 1 54 TRP HZ2 1 73 LYS QE . . 4.070 3.252 2.368 4.026 . 0 0 "[ . 1 . 2]" 1
1155 1 54 TRP HZ2 1 75 TYR QE . . 3.930 3.504 2.714 4.024 0.094 7 0 "[ . 1 . 2]" 1
1156 1 54 TRP HZ3 1 61 TYR HB2 . . 5.030 4.018 3.677 4.388 . 0 0 "[ . 1 . 2]" 1
1157 1 54 TRP HZ3 1 62 VAL HA . . 4.400 2.717 2.489 3.149 . 0 0 "[ . 1 . 2]" 1
1158 1 54 TRP HZ3 1 63 LEU H . . 4.200 3.270 2.942 3.690 . 0 0 "[ . 1 . 2]" 1
1159 1 54 TRP HZ3 1 74 VAL HA . . 4.420 3.003 2.431 3.470 . 0 0 "[ . 1 . 2]" 1
1160 1 54 TRP HZ3 1 74 VAL QG . . 4.930 4.261 3.791 4.588 . 0 0 "[ . 1 . 2]" 1
1161 1 54 TRP HZ3 1 75 TYR H . . 4.360 3.179 2.955 3.461 . 0 0 "[ . 1 . 2]" 1
1162 1 55 THR H 1 55 THR HB . . 4.010 3.752 3.146 3.894 . 0 0 "[ . 1 . 2]" 1
1163 1 55 THR H 1 55 THR MG . . 3.640 2.901 2.306 3.702 0.062 1 0 "[ . 1 . 2]" 1
1164 1 55 THR H 1 56 TYR H . . 5.070 4.427 4.288 4.520 . 0 0 "[ . 1 . 2]" 1
1165 1 55 THR H 1 62 VAL H . . 3.670 2.659 2.396 3.003 . 0 0 "[ . 1 . 2]" 1
1166 1 55 THR H 1 62 VAL HB . . 5.240 5.068 3.767 5.308 0.068 1 0 "[ . 1 . 2]" 1
1167 1 55 THR H 1 62 VAL QG . . 5.500 3.157 2.769 4.046 . 0 0 "[ . 1 . 2]" 1
1168 1 55 THR H 1 63 LEU HA . . 4.080 3.679 3.508 3.835 . 0 0 "[ . 1 . 2]" 1
1169 1 55 THR H 1 63 LEU QD . . 5.500 4.666 4.362 4.797 . 0 0 "[ . 1 . 2]" 1
1170 1 55 THR H 1 64 ILE H . . 5.050 4.492 4.252 4.785 . 0 0 "[ . 1 . 2]" 1
1171 1 55 THR H 1 64 ILE HG12 . . 4.980 4.233 3.623 5.023 0.043 1 0 "[ . 1 . 2]" 1
1172 1 55 THR H 1 64 ILE MG . . 5.500 4.341 3.912 4.581 . 0 0 "[ . 1 . 2]" 1
1173 1 55 THR HA 1 56 TYR H . . 3.110 2.457 2.277 2.685 . 0 0 "[ . 1 . 2]" 1
1174 1 55 THR HB 1 56 TYR H . . 3.460 2.623 2.163 3.547 0.087 8 0 "[ . 1 . 2]" 1
1175 1 55 THR HB 1 62 VAL H . . 5.500 5.045 3.437 5.548 0.048 13 0 "[ . 1 . 2]" 1
1176 1 55 THR MG 1 56 TYR H . . 4.010 3.723 3.143 4.015 0.005 20 0 "[ . 1 . 2]" 1
1177 1 55 THR MG 1 62 VAL H . . 4.760 4.700 3.291 4.874 0.114 3 0 "[ . 1 . 2]" 1
1178 1 55 THR MG 1 62 VAL QG . . 4.190 3.513 1.938 4.183 . 0 0 "[ . 1 . 2]" 1
1179 1 55 THR MG 1 64 ILE H . . 5.400 3.783 3.414 4.598 . 0 0 "[ . 1 . 2]" 1
1180 1 55 THR MG 1 64 ILE HG12 . . 3.080 2.214 1.950 2.438 . 0 0 "[ . 1 . 2]" 1
1181 1 56 TYR H 1 56 TYR HB2 . . 3.610 2.616 2.231 3.078 . 0 0 "[ . 1 . 2]" 1
1182 1 56 TYR H 1 56 TYR HB3 . . 3.890 2.695 2.471 3.093 . 0 0 "[ . 1 . 2]" 1
1183 1 56 TYR H 1 56 TYR QD . . 4.190 4.257 4.141 4.296 0.106 8 0 "[ . 1 . 2]" 1
1184 1 56 TYR HA 1 56 TYR QD . . 2.900 2.241 2.022 2.579 . 0 0 "[ . 1 . 2]" 1
1185 1 56 TYR HA 1 56 TYR QE . . 4.500 4.365 4.221 4.566 0.066 11 0 "[ . 1 . 2]" 1
1186 1 56 TYR HA 1 57 MET H . . 2.840 2.254 2.135 2.364 . 0 0 "[ . 1 . 2]" 1
1187 1 56 TYR HB2 1 57 MET H . . 4.730 4.601 4.333 4.707 . 0 0 "[ . 1 . 2]" 1
1188 1 56 TYR HB3 1 57 MET H . . 4.630 4.334 3.871 4.596 . 0 0 "[ . 1 . 2]" 1
1189 1 56 TYR HB3 1 61 TYR QD . . 5.500 5.292 4.389 5.837 0.337 13 0 "[ . 1 . 2]" 1
1190 1 56 TYR QD 1 57 MET H . . 4.410 3.391 2.271 4.115 . 0 0 "[ . 1 . 2]" 1
1191 1 56 TYR QD 1 59 GLY H . . 4.390 3.686 3.059 4.052 . 0 0 "[ . 1 . 2]" 1
1192 1 56 TYR QD 1 61 TYR HA . . 3.670 3.619 3.218 3.758 0.088 16 0 "[ . 1 . 2]" 1
1193 1 56 TYR QD 1 61 TYR QD . . 4.190 3.268 2.325 4.188 . 0 0 "[ . 1 . 2]" 1
1194 1 56 TYR QE 1 57 MET H . . 5.500 5.110 4.354 5.589 0.089 10 0 "[ . 1 . 2]" 1
1195 1 56 TYR QE 1 59 GLY H . . 3.900 3.822 3.079 3.998 0.098 6 0 "[ . 1 . 2]" 1
1196 1 56 TYR QE 1 59 GLY HA2 . . 3.530 2.585 2.094 2.889 . 0 0 "[ . 1 . 2]" 1
1197 1 56 TYR QE 1 59 GLY HA3 . . 4.050 3.993 3.628 4.137 0.087 19 0 "[ . 1 . 2]" 1
1198 1 56 TYR QE 1 60 ASN H . . 4.740 4.227 3.201 4.824 0.084 17 0 "[ . 1 . 2]" 1
1199 1 56 TYR QE 1 77 GLY HA2 . . 3.940 3.866 2.939 4.043 0.103 16 0 "[ . 1 . 2]" 1
1200 1 56 TYR QE 1 77 GLY HA3 . . 3.960 3.570 3.013 4.022 0.062 3 0 "[ . 1 . 2]" 1
1201 1 57 MET H 1 57 MET QG . . 4.270 3.338 2.179 3.995 . 0 0 "[ . 1 . 2]" 1
1202 1 57 MET H 1 58 GLY H . . 4.320 4.164 3.994 4.350 0.030 10 0 "[ . 1 . 2]" 1
1203 1 57 MET H 1 59 GLY H . . 4.760 3.801 3.201 4.434 . 0 0 "[ . 1 . 2]" 1
1204 1 57 MET H 1 60 ASN H . . 3.550 3.263 2.997 3.617 0.067 15 0 "[ . 1 . 2]" 1
1205 1 57 MET H 1 60 ASN HB2 . . 5.350 3.980 3.284 5.112 . 0 0 "[ . 1 . 2]" 1
1206 1 57 MET H 1 60 ASN HB3 . . 5.410 5.180 4.672 5.479 0.069 18 0 "[ . 1 . 2]" 1
1207 1 57 MET H 1 62 VAL H . . 4.870 3.774 3.212 4.611 . 0 0 "[ . 1 . 2]" 1
1208 1 57 MET H 1 62 VAL QG . . 4.080 2.974 2.689 3.310 . 0 0 "[ . 1 . 2]" 1
1209 1 57 MET HA 1 58 GLY H . . 3.000 2.477 2.139 2.963 . 0 0 "[ . 1 . 2]" 1
1210 1 57 MET HA 1 59 GLY H . . 4.970 4.146 3.607 4.654 . 0 0 "[ . 1 . 2]" 1
1211 1 57 MET HA 1 60 ASN H . . 5.500 4.689 4.469 5.102 . 0 0 "[ . 1 . 2]" 1
1212 1 57 MET QB 1 58 GLY H . . 5.020 3.164 1.767 4.118 . 0 0 "[ . 1 . 2]" 1
1213 1 57 MET QB 1 62 VAL H . . 5.500 4.105 3.338 5.329 . 0 0 "[ . 1 . 2]" 1
1214 1 57 MET QB 1 62 VAL QG . . 3.600 2.102 1.780 2.712 . 0 0 "[ . 1 . 2]" 1
1215 1 57 MET QG 1 58 GLY H . . 5.500 3.691 1.793 4.577 . 0 0 "[ . 1 . 2]" 1
1216 1 57 MET QG 1 62 VAL QG . . 4.080 2.355 1.669 3.416 . 0 0 "[ . 1 . 2]" 1
1217 1 58 GLY H 1 59 GLY H . . 3.740 3.073 2.694 3.744 0.004 1 0 "[ . 1 . 2]" 1
1218 1 58 GLY H 1 59 GLY HA2 . . 5.500 5.324 4.984 5.877 0.377 1 0 "[ . 1 . 2]" 1
1219 1 58 GLY H 1 60 ASN H . . 4.600 4.068 3.642 4.554 . 0 0 "[ . 1 . 2]" 1
1220 1 58 GLY HA2 1 60 ASN H . . 4.970 4.531 4.299 4.887 . 0 0 "[ . 1 . 2]" 1
1221 1 58 GLY HA2 1 60 ASN HD21 . . 5.420 5.170 4.446 5.565 0.145 19 0 "[ . 1 . 2]" 1
1222 1 58 GLY HA2 1 60 ASN HD22 . . 5.490 5.486 5.025 5.579 0.089 20 0 "[ . 1 . 2]" 1
1223 1 58 GLY HA3 1 60 ASN H . . 4.880 3.932 3.506 4.650 . 0 0 "[ . 1 . 2]" 1
1224 1 58 GLY HA3 1 60 ASN HD21 . . 5.500 3.678 2.830 4.472 . 0 0 "[ . 1 . 2]" 1
1225 1 58 GLY HA3 1 60 ASN HD22 . . 5.040 4.050 3.416 4.542 . 0 0 "[ . 1 . 2]" 1
1226 1 59 GLY H 1 60 ASN H . . 3.300 2.325 1.590 2.767 . 0 0 "[ . 1 . 2]" 1
1227 1 59 GLY H 1 60 ASN HB2 . . 5.500 4.891 4.322 5.701 0.201 15 0 "[ . 1 . 2]" 1
1228 1 59 GLY H 1 60 ASN HD22 . . 5.500 5.254 3.332 5.565 0.065 9 0 "[ . 1 . 2]" 1
1229 1 60 ASN H 1 60 ASN HB2 . . 3.430 2.715 2.387 3.751 0.321 19 0 "[ . 1 . 2]" 1
1230 1 60 ASN H 1 60 ASN HB3 . . 4.040 3.615 2.749 3.852 . 0 0 "[ . 1 . 2]" 1
1231 1 60 ASN H 1 60 ASN HD21 . . 4.040 3.045 2.215 3.596 . 0 0 "[ . 1 . 2]" 1
1232 1 60 ASN H 1 60 ASN HD22 . . 4.610 3.851 3.267 4.249 . 0 0 "[ . 1 . 2]" 1
1233 1 60 ASN H 1 61 TYR H . . 4.730 4.467 4.275 4.577 . 0 0 "[ . 1 . 2]" 1
1234 1 60 ASN H 1 61 TYR HA . . 5.500 4.998 4.562 5.393 . 0 0 "[ . 1 . 2]" 1
1235 1 60 ASN H 1 62 VAL QG . . 5.310 4.233 3.865 4.657 . 0 0 "[ . 1 . 2]" 1
1236 1 60 ASN H 1 74 VAL QG . . 5.500 5.338 5.093 5.472 . 0 0 "[ . 1 . 2]" 1
1237 1 60 ASN H 1 77 GLY H . . 5.250 4.974 4.610 5.339 0.089 17 0 "[ . 1 . 2]" 1
1238 1 60 ASN HA 1 60 ASN HD22 . . 5.500 4.777 4.501 5.253 . 0 0 "[ . 1 . 2]" 1
1239 1 60 ASN HA 1 77 GLY H . . 3.710 2.560 2.288 2.918 . 0 0 "[ . 1 . 2]" 1
1240 1 60 ASN HB2 1 61 TYR H . . 4.160 3.510 2.476 4.229 0.069 17 0 "[ . 1 . 2]" 1
1241 1 60 ASN HB2 1 62 VAL QG . . 4.440 2.770 2.317 3.186 . 0 0 "[ . 1 . 2]" 1
1242 1 60 ASN HB2 1 74 VAL QG . . 4.410 3.273 2.672 3.730 . 0 0 "[ . 1 . 2]" 1
1243 1 60 ASN HB3 1 61 TYR H . . 3.600 2.864 2.246 3.788 0.188 19 0 "[ . 1 . 2]" 1
1244 1 60 ASN HB3 1 62 VAL QG . . 4.220 3.321 2.592 4.281 0.061 19 0 "[ . 1 . 2]" 1
1245 1 60 ASN HB3 1 74 VAL QG . . 4.010 2.829 2.339 3.741 . 0 0 "[ . 1 . 2]" 1
1246 1 60 ASN HB3 1 75 TYR H . . 4.920 4.157 3.386 5.525 0.605 15 2 "[ . 1 + -2]" 1
1247 1 60 ASN HB3 1 77 GLY H . . 5.060 4.189 3.190 5.105 0.045 11 0 "[ . 1 . 2]" 1
1248 1 60 ASN HD21 1 74 VAL QG . . 5.170 4.280 3.507 4.753 . 0 0 "[ . 1 . 2]" 1
1249 1 60 ASN HD22 1 74 VAL QG . . 5.310 4.831 4.273 5.205 . 0 0 "[ . 1 . 2]" 1
1250 1 61 TYR H 1 61 TYR HB2 . . 3.730 2.467 2.334 2.555 . 0 0 "[ . 1 . 2]" 1
1251 1 61 TYR H 1 61 TYR HB3 . . 4.170 3.654 3.560 3.712 . 0 0 "[ . 1 . 2]" 1
1252 1 61 TYR H 1 61 TYR QD . . 3.600 3.153 2.576 3.428 . 0 0 "[ . 1 . 2]" 1
1253 1 61 TYR H 1 62 VAL QG . . 4.900 3.687 3.213 4.213 . 0 0 "[ . 1 . 2]" 1
1254 1 61 TYR H 1 74 VAL QG . . 4.570 3.833 3.265 4.255 . 0 0 "[ . 1 . 2]" 1
1255 1 61 TYR H 1 75 TYR H . . 3.910 3.257 3.072 3.962 0.052 17 0 "[ . 1 . 2]" 1
1256 1 61 TYR H 1 75 TYR HB3 . . 5.140 4.825 4.391 5.989 0.849 17 1 "[ . 1 . + 2]" 1
1257 1 61 TYR H 1 77 GLY H . . 4.690 4.088 3.417 4.465 . 0 0 "[ . 1 . 2]" 1
1258 1 61 TYR H 1 77 GLY HA2 . . 5.490 4.026 3.756 4.236 . 0 0 "[ . 1 . 2]" 1
1259 1 61 TYR H 1 77 GLY HA3 . . 5.500 4.915 4.540 5.184 . 0 0 "[ . 1 . 2]" 1
1260 1 61 TYR H 1 79 ILE MG . . 5.500 4.445 4.090 4.812 . 0 0 "[ . 1 . 2]" 1
1261 1 61 TYR HA 1 61 TYR QD . . 3.260 2.417 2.200 2.829 . 0 0 "[ . 1 . 2]" 1
1262 1 61 TYR HA 1 61 TYR QE . . 4.710 4.463 4.325 4.686 . 0 0 "[ . 1 . 2]" 1
1263 1 61 TYR HA 1 62 VAL H . . 2.890 2.269 2.193 2.381 . 0 0 "[ . 1 . 2]" 1
1264 1 61 TYR HB2 1 62 VAL H . . 4.840 4.387 4.215 4.524 . 0 0 "[ . 1 . 2]" 1
1265 1 61 TYR HB2 1 75 TYR H . . 4.250 3.409 3.166 3.671 . 0 0 "[ . 1 . 2]" 1
1266 1 61 TYR HB2 1 79 ILE MG . . 4.860 3.425 3.064 3.711 . 0 0 "[ . 1 . 2]" 1
1267 1 61 TYR HB3 1 62 VAL H . . 4.230 3.549 3.180 3.793 . 0 0 "[ . 1 . 2]" 1
1268 1 61 TYR HB3 1 75 TYR H . . 4.990 4.490 4.107 4.829 . 0 0 "[ . 1 . 2]" 1
1269 1 61 TYR QD 1 62 VAL H . . 5.160 4.047 3.814 4.363 . 0 0 "[ . 1 . 2]" 1
1270 1 61 TYR QD 1 75 TYR H . . 4.980 4.968 4.661 5.067 0.087 18 0 "[ . 1 . 2]" 1
1271 1 61 TYR QD 1 77 GLY H . . 4.520 4.512 4.210 4.604 0.084 12 0 "[ . 1 . 2]" 1
1272 1 61 TYR QD 1 77 GLY HA2 . . 3.460 2.566 2.328 2.631 . 0 0 "[ . 1 . 2]" 1
1273 1 61 TYR QD 1 77 GLY HA3 . . 4.170 4.214 3.997 4.259 0.089 16 0 "[ . 1 . 2]" 1
1274 1 61 TYR QD 1 79 ILE MG . . 2.900 2.221 2.012 3.012 0.112 18 0 "[ . 1 . 2]" 1
1275 1 61 TYR QE 1 77 GLY H . . 5.500 5.073 4.781 5.530 0.030 18 0 "[ . 1 . 2]" 1
1276 1 61 TYR QE 1 77 GLY HA2 . . 3.120 2.313 2.103 2.755 . 0 0 "[ . 1 . 2]" 1
1277 1 61 TYR QE 1 77 GLY HA3 . . 3.790 3.706 3.536 3.879 0.089 18 0 "[ . 1 . 2]" 1
1278 1 61 TYR QE 1 79 ILE MG . . 3.880 2.669 2.282 3.930 0.050 18 0 "[ . 1 . 2]" 1
1279 1 61 TYR QE 1 80 PHE H . . 4.160 2.998 2.717 3.764 . 0 0 "[ . 1 . 2]" 1
1280 1 61 TYR QE 1 80 PHE HB2 . . 3.300 2.203 2.084 2.488 . 0 0 "[ . 1 . 2]" 1
1281 1 61 TYR QE 1 80 PHE HB3 . . 3.820 3.538 3.285 3.900 0.080 18 0 "[ . 1 . 2]" 1
1282 1 62 VAL H 1 62 VAL HB . . 3.840 3.729 2.389 3.893 0.053 18 0 "[ . 1 . 2]" 1
1283 1 62 VAL H 1 62 VAL QG . . 3.640 2.191 1.967 2.747 . 0 0 "[ . 1 . 2]" 1
1284 1 62 VAL H 1 63 LEU H . . 4.860 4.398 4.246 4.468 . 0 0 "[ . 1 . 2]" 1
1285 1 62 VAL HA 1 63 LEU H . . 3.240 2.188 2.097 2.309 . 0 0 "[ . 1 . 2]" 1
1286 1 62 VAL HA 1 75 TYR H . . 4.980 3.466 3.222 3.656 . 0 0 "[ . 1 . 2]" 1
1287 1 62 VAL HB 1 63 LEU H . . 5.090 2.906 2.504 4.414 . 0 0 "[ . 1 . 2]" 1
1288 1 62 VAL HB 1 64 ILE MG . . 4.290 3.427 2.669 3.923 . 0 0 "[ . 1 . 2]" 1
1289 1 62 VAL QG 1 63 LEU H . . 3.620 3.292 2.801 3.474 . 0 0 "[ . 1 . 2]" 1
1290 1 62 VAL QG 1 74 VAL HB . . 5.500 3.881 1.929 4.269 . 0 0 "[ . 1 . 2]" 1
1291 1 62 VAL QG 1 74 VAL QG . . 3.030 1.915 1.770 2.504 . 0 0 "[ . 1 . 2]" 1
1292 1 62 VAL QG 1 75 TYR H . . 4.940 3.415 2.902 3.893 . 0 0 "[ . 1 . 2]" 1
1293 1 63 LEU H 1 63 LEU HB2 . . 3.590 2.932 2.754 3.166 . 0 0 "[ . 1 . 2]" 1
1294 1 63 LEU H 1 63 LEU HB3 . . 3.490 2.502 2.435 2.665 . 0 0 "[ . 1 . 2]" 1
1295 1 63 LEU H 1 63 LEU QD . . 4.700 3.895 3.804 4.019 . 0 0 "[ . 1 . 2]" 1
1296 1 63 LEU H 1 64 ILE H . . 4.760 4.404 4.316 4.516 . 0 0 "[ . 1 . 2]" 1
1297 1 63 LEU H 1 72 LEU H . . 4.980 4.330 4.098 4.620 . 0 0 "[ . 1 . 2]" 1
1298 1 63 LEU H 1 73 LYS H . . 3.470 2.848 2.685 3.201 . 0 0 "[ . 1 . 2]" 1
1299 1 63 LEU H 1 73 LYS HB2 . . 4.830 3.715 3.293 4.174 . 0 0 "[ . 1 . 2]" 1
1300 1 63 LEU H 1 74 VAL HA . . 4.150 3.527 3.239 3.715 . 0 0 "[ . 1 . 2]" 1
1301 1 63 LEU H 1 75 TYR H . . 5.140 5.193 5.004 5.232 0.092 17 0 "[ . 1 . 2]" 1
1302 1 63 LEU HA 1 64 ILE H . . 3.130 2.197 2.149 2.244 . 0 0 "[ . 1 . 2]" 1
1303 1 63 LEU HB2 1 64 ILE H . . 4.610 4.381 4.290 4.462 . 0 0 "[ . 1 . 2]" 1
1304 1 63 LEU HB2 1 64 ILE MG . . 5.500 5.439 5.241 5.592 0.092 10 0 "[ . 1 . 2]" 1
1305 1 63 LEU HB2 1 72 LEU QB . . 4.460 3.887 3.715 4.050 . 0 0 "[ . 1 . 2]" 1
1306 1 63 LEU HB2 1 72 LEU QD . . 5.500 4.598 4.403 4.771 . 0 0 "[ . 1 . 2]" 1
1307 1 63 LEU HB2 1 73 LYS H . . 3.870 3.884 3.747 3.934 0.064 18 0 "[ . 1 . 2]" 1
1308 1 63 LEU HB2 1 73 LYS HB2 . . 4.200 2.979 2.726 3.208 . 0 0 "[ . 1 . 2]" 1
1309 1 63 LEU HB2 1 73 LYS HB3 . . 4.510 4.478 4.122 4.575 0.065 2 0 "[ . 1 . 2]" 1
1310 1 63 LEU HB2 1 73 LYS HG3 . . 5.500 4.914 4.235 5.542 0.042 8 0 "[ . 1 . 2]" 1
1311 1 63 LEU HB3 1 72 LEU H . . 4.420 3.745 3.597 3.908 . 0 0 "[ . 1 . 2]" 1
1312 1 63 LEU HB3 1 72 LEU QB . . 4.120 2.430 2.163 2.597 . 0 0 "[ . 1 . 2]" 1
1313 1 63 LEU HB3 1 73 LYS H . . 3.320 2.263 2.083 2.405 . 0 0 "[ . 1 . 2]" 1
1314 1 63 LEU HB3 1 73 LYS HB2 . . 3.970 2.442 2.254 2.668 . 0 0 "[ . 1 . 2]" 1
1315 1 63 LEU QD 1 64 ILE H . . 3.750 2.517 2.300 2.833 . 0 0 "[ . 1 . 2]" 1
1316 1 63 LEU QD 1 64 ILE MG . . 5.500 4.455 4.303 4.597 . 0 0 "[ . 1 . 2]" 1
1317 1 63 LEU QD 1 65 THR MG . . 5.500 4.492 4.265 4.771 . 0 0 "[ . 1 . 2]" 1
1318 1 63 LEU QD 1 72 LEU H . . 5.190 4.246 4.123 4.398 . 0 0 "[ . 1 . 2]" 1
1319 1 63 LEU QD 1 72 LEU QB . . 3.340 2.223 2.069 2.373 . 0 0 "[ . 1 . 2]" 1
1320 1 63 LEU QD 1 72 LEU QD . . 2.980 2.432 2.154 2.782 . 0 0 "[ . 1 . 2]" 1
1321 1 63 LEU QD 1 72 LEU HG . . 5.500 3.589 3.016 3.835 . 0 0 "[ . 1 . 2]" 1
1322 1 63 LEU QD 1 73 LYS H . . 4.830 3.545 3.266 3.773 . 0 0 "[ . 1 . 2]" 1
1323 1 63 LEU QD 1 73 LYS HB2 . . 3.480 2.765 2.476 3.041 . 0 0 "[ . 1 . 2]" 1
1324 1 63 LEU QD 1 73 LYS HB3 . . 4.880 4.109 3.835 4.287 . 0 0 "[ . 1 . 2]" 1
1325 1 63 LEU QD 1 73 LYS HD2 . . 4.310 3.554 2.187 4.308 . 0 0 "[ . 1 . 2]" 1
1326 1 63 LEU QD 1 73 LYS HD3 . . 4.700 3.500 2.331 4.658 . 0 0 "[ . 1 . 2]" 1
1327 1 63 LEU QD 1 73 LYS QE . . 4.490 3.150 1.925 4.038 . 0 0 "[ . 1 . 2]" 1
1328 1 63 LEU QD 1 73 LYS HG3 . . 4.460 2.970 2.351 3.683 . 0 0 "[ . 1 . 2]" 1
1329 1 63 LEU HG 1 64 ILE H . . 4.080 3.431 3.001 3.683 . 0 0 "[ . 1 . 2]" 1
1330 1 63 LEU HG 1 65 THR H . . 5.500 5.156 4.741 5.397 . 0 0 "[ . 1 . 2]" 1
1331 1 63 LEU HG 1 72 LEU H . . 4.410 3.980 3.704 4.342 . 0 0 "[ . 1 . 2]" 1
1332 1 63 LEU HG 1 72 LEU QB . . 3.000 2.376 2.210 2.685 . 0 0 "[ . 1 . 2]" 1
1333 1 63 LEU HG 1 72 LEU HG . . 3.160 3.207 3.128 3.233 0.073 11 0 "[ . 1 . 2]" 1
1334 1 63 LEU HG 1 73 LYS H . . 5.050 4.082 3.810 4.445 . 0 0 "[ . 1 . 2]" 1
1335 1 64 ILE H 1 64 ILE MD . . 3.950 3.837 3.663 3.952 0.002 5 0 "[ . 1 . 2]" 1
1336 1 64 ILE H 1 64 ILE HG12 . . 3.790 2.699 2.228 3.448 . 0 0 "[ . 1 . 2]" 1
1337 1 64 ILE H 1 64 ILE HG13 . . 4.000 2.463 2.068 2.995 . 0 0 "[ . 1 . 2]" 1
1338 1 64 ILE H 1 64 ILE MG . . 3.760 2.910 2.749 3.082 . 0 0 "[ . 1 . 2]" 1
1339 1 64 ILE H 1 65 THR H . . 4.820 4.490 4.339 4.600 . 0 0 "[ . 1 . 2]" 1
1340 1 64 ILE HA 1 65 THR H . . 2.820 2.295 2.132 2.430 . 0 0 "[ . 1 . 2]" 1
1341 1 64 ILE HA 1 70 LYS H . . 4.490 4.282 4.113 4.458 . 0 0 "[ . 1 . 2]" 1
1342 1 64 ILE HA 1 71 ILE H . . 5.500 5.028 4.698 5.428 . 0 0 "[ . 1 . 2]" 1
1343 1 64 ILE HA 1 72 LEU H . . 3.850 3.093 2.891 3.301 . 0 0 "[ . 1 . 2]" 1
1344 1 64 ILE HA 1 73 LYS H . . 5.180 5.044 4.848 5.232 0.052 6 0 "[ . 1 . 2]" 1
1345 1 64 ILE HB 1 64 ILE MD . . 2.970 2.223 2.128 2.318 . 0 0 "[ . 1 . 2]" 1
1346 1 64 ILE HB 1 65 THR H . . 3.350 3.034 2.785 3.391 0.041 11 0 "[ . 1 . 2]" 1
1347 1 64 ILE HB 1 69 GLY H . . 4.230 4.133 3.986 4.287 0.057 14 0 "[ . 1 . 2]" 1
1348 1 64 ILE HB 1 69 GLY QA . . 3.410 2.058 1.985 2.188 . 0 0 "[ . 1 . 2]" 1
1349 1 64 ILE MD 1 66 ASP H . . 5.500 5.128 4.244 5.589 0.089 2 0 "[ . 1 . 2]" 1
1350 1 64 ILE MD 1 69 GLY H . . 4.810 4.553 3.997 4.900 0.090 14 0 "[ . 1 . 2]" 1
1351 1 64 ILE MD 1 69 GLY QA . . 3.830 2.954 2.525 3.386 . 0 0 "[ . 1 . 2]" 1
1352 1 64 ILE HG12 1 69 GLY QA . . 5.500 4.688 4.302 4.890 . 0 0 "[ . 1 . 2]" 1
1353 1 64 ILE HG13 1 65 THR H . . 4.540 4.451 4.005 4.619 0.079 4 0 "[ . 1 . 2]" 1
1354 1 64 ILE MG 1 65 THR H . . 4.010 3.863 3.777 4.035 0.025 11 0 "[ . 1 . 2]" 1
1355 1 64 ILE MG 1 70 LYS H . . 4.910 4.887 4.734 4.996 0.086 7 0 "[ . 1 . 2]" 1
1356 1 64 ILE MG 1 71 ILE H . . 4.980 4.521 3.974 4.998 0.018 15 0 "[ . 1 . 2]" 1
1357 1 64 ILE MG 1 71 ILE HG12 . . 4.010 2.956 2.616 3.325 . 0 0 "[ . 1 . 2]" 1
1358 1 64 ILE MG 1 72 LEU H . . 4.080 3.891 3.533 4.167 0.087 16 0 "[ . 1 . 2]" 1
1359 1 64 ILE MG 1 73 LYS H . . 5.190 4.941 4.549 5.207 0.017 16 0 "[ . 1 . 2]" 1
1360 1 65 THR H 1 65 THR MG . . 3.110 3.108 2.907 3.221 0.111 10 0 "[ . 1 . 2]" 1
1361 1 65 THR H 1 69 GLY H . . 4.700 3.037 2.747 3.419 . 0 0 "[ . 1 . 2]" 1
1362 1 65 THR H 1 69 GLY QA . . 4.080 2.542 2.420 2.744 . 0 0 "[ . 1 . 2]" 1
1363 1 65 THR H 1 70 LYS H . . 3.120 2.679 2.430 2.943 . 0 0 "[ . 1 . 2]" 1
1364 1 65 THR H 1 70 LYS HA . . 5.410 4.731 4.404 5.018 . 0 0 "[ . 1 . 2]" 1
1365 1 65 THR H 1 70 LYS HB2 . . 4.850 4.150 3.748 4.909 0.059 11 0 "[ . 1 . 2]" 1
1366 1 65 THR H 1 70 LYS HB3 . . 4.700 4.365 3.642 4.770 0.070 20 0 "[ . 1 . 2]" 1
1367 1 65 THR H 1 72 LEU H . . 4.680 4.360 3.966 4.727 0.047 3 0 "[ . 1 . 2]" 1
1368 1 65 THR H 1 72 LEU QD . . 4.180 3.200 1.966 3.830 . 0 0 "[ . 1 . 2]" 1
1369 1 65 THR H 1 72 LEU HG . . 4.390 3.748 3.190 4.492 0.102 11 0 "[ . 1 . 2]" 1
1370 1 65 THR HA 1 66 ASP H . . 2.740 2.200 2.099 2.265 . 0 0 "[ . 1 . 2]" 1
1371 1 65 THR HA 1 70 LYS H . . 5.500 4.907 4.755 5.169 . 0 0 "[ . 1 . 2]" 1
1372 1 65 THR HB 1 66 ASP H . . 3.800 3.272 2.863 3.536 . 0 0 "[ . 1 . 2]" 1
1373 1 65 THR HB 1 67 THR H . . 4.340 2.320 2.041 2.606 . 0 0 "[ . 1 . 2]" 1
1374 1 65 THR HB 1 70 LYS H . . 5.130 3.673 3.294 4.207 . 0 0 "[ . 1 . 2]" 1
1375 1 65 THR MG 1 66 ASP H . . 4.140 3.230 2.927 3.464 . 0 0 "[ . 1 . 2]" 1
1376 1 65 THR MG 1 67 THR H . . 4.810 3.583 3.017 3.995 . 0 0 "[ . 1 . 2]" 1
1377 1 65 THR MG 1 67 THR MG . . 2.840 2.814 2.244 2.990 0.150 19 0 "[ . 1 . 2]" 1
1378 1 65 THR MG 1 68 GLU H . . 5.500 4.560 4.112 4.959 . 0 0 "[ . 1 . 2]" 1
1379 1 65 THR MG 1 68 GLU HB3 . . 5.500 3.542 3.174 5.420 . 0 0 "[ . 1 . 2]" 1
1380 1 65 THR MG 1 69 GLY H . . 5.500 4.041 3.890 4.274 . 0 0 "[ . 1 . 2]" 1
1381 1 65 THR MG 1 70 LYS H . . 3.810 3.821 3.607 3.906 0.096 20 0 "[ . 1 . 2]" 1
1382 1 65 THR MG 1 72 LEU H . . 5.240 5.169 4.930 5.326 0.086 19 0 "[ . 1 . 2]" 1
1383 1 65 THR MG 1 72 LEU QD . . 3.010 2.043 1.913 2.227 . 0 0 "[ . 1 . 2]" 1
1384 1 66 ASP H 1 66 ASP HB2 . . 3.540 2.351 1.998 3.591 0.051 9 0 "[ . 1 . 2]" 1
1385 1 66 ASP H 1 66 ASP HB3 . . 3.280 2.962 2.481 3.522 0.242 7 0 "[ . 1 . 2]" 1
1386 1 66 ASP H 1 67 THR H . . 3.460 2.665 2.534 2.829 . 0 0 "[ . 1 . 2]" 1
1387 1 66 ASP H 1 67 THR MG . . 5.220 3.265 2.918 3.789 . 0 0 "[ . 1 . 2]" 1
1388 1 66 ASP H 1 68 GLU H . . 5.500 4.547 4.242 4.733 . 0 0 "[ . 1 . 2]" 1
1389 1 66 ASP H 1 72 LEU QD . . 5.500 4.974 4.571 5.413 . 0 0 "[ . 1 . 2]" 1
1390 1 66 ASP HA 1 67 THR H . . 3.520 3.299 2.952 3.570 0.050 20 0 "[ . 1 . 2]" 1
1391 1 66 ASP HA 1 68 GLU H . . 4.190 4.132 3.869 4.259 0.069 10 0 "[ . 1 . 2]" 1
1392 1 66 ASP HA 1 69 GLY H . . 4.620 4.594 4.410 4.695 0.075 4 0 "[ . 1 . 2]" 1
1393 1 66 ASP HB2 1 67 THR H . . 3.850 3.842 3.146 4.130 0.280 14 0 "[ . 1 . 2]" 1
1394 1 66 ASP HB2 1 67 THR MG . . 4.610 4.240 2.698 4.716 0.106 6 0 "[ . 1 . 2]" 1
1395 1 66 ASP HB3 1 67 THR H . . 4.040 3.668 3.170 4.058 0.018 19 0 "[ . 1 . 2]" 1
1396 1 66 ASP HB3 1 67 THR MG . . 4.560 3.998 2.671 4.663 0.103 19 0 "[ . 1 . 2]" 1
1397 1 67 THR H 1 67 THR MG . . 3.610 2.091 1.755 2.345 . 0 0 "[ . 1 . 2]" 1
1398 1 67 THR H 1 68 GLU H . . 3.300 2.339 1.993 2.758 . 0 0 "[ . 1 . 2]" 1
1399 1 67 THR H 1 68 GLU HB2 . . 5.500 4.645 4.295 6.311 0.811 20 1 "[ . 1 . +]" 1
1400 1 67 THR H 1 68 GLU QG . . 5.500 5.505 4.069 5.600 0.100 5 0 "[ . 1 . 2]" 1
1401 1 67 THR H 1 69 GLY H . . 4.190 3.318 2.914 4.030 . 0 0 "[ . 1 . 2]" 1
1402 1 67 THR MG 1 68 GLU H . . 4.640 3.520 2.928 4.214 . 0 0 "[ . 1 . 2]" 1
1403 1 68 GLU H 1 68 GLU HB2 . . 3.930 3.549 3.370 4.003 0.073 20 0 "[ . 1 . 2]" 1
1404 1 68 GLU H 1 68 GLU QG . . 4.190 4.137 2.895 4.275 0.085 15 0 "[ . 1 . 2]" 1
1405 1 68 GLU H 1 69 GLY H . . 3.190 1.937 1.694 2.167 . 0 0 "[ . 1 . 2]" 1
1406 1 68 GLU H 1 70 LYS H . . 4.570 4.227 3.985 4.592 0.022 4 0 "[ . 1 . 2]" 1
1407 1 68 GLU HB2 1 69 GLY H . . 4.450 3.922 3.677 4.263 . 0 0 "[ . 1 . 2]" 1
1408 1 68 GLU HB2 1 70 LYS H . . 4.420 4.267 3.336 4.502 0.082 4 0 "[ . 1 . 2]" 1
1409 1 68 GLU HB3 1 68 GLU QG . . 2.780 2.222 2.106 2.395 . 0 0 "[ . 1 . 2]" 1
1410 1 68 GLU HB3 1 69 GLY H . . 4.670 2.734 2.243 4.266 . 0 0 "[ . 1 . 2]" 1
1411 1 68 GLU HB3 1 69 GLY QA . . 5.070 4.272 3.914 5.386 0.316 20 0 "[ . 1 . 2]" 1
1412 1 68 GLU HB3 1 70 LYS H . . 4.200 2.809 2.233 4.490 0.290 20 0 "[ . 1 . 2]" 1
1413 1 68 GLU HB3 1 70 LYS HB2 . . 4.710 3.401 2.736 4.976 0.266 20 0 "[ . 1 . 2]" 1
1414 1 68 GLU HB3 1 70 LYS HG3 . . 5.500 4.646 3.925 5.484 . 0 0 "[ . 1 . 2]" 1
1415 1 68 GLU QG 1 69 GLY H . . 5.010 3.561 2.669 4.080 . 0 0 "[ . 1 . 2]" 1
1416 1 68 GLU QG 1 70 LYS H . . 4.380 2.575 1.805 2.980 . 0 0 "[ . 1 . 2]" 1
1417 1 68 GLU QG 1 70 LYS HB2 . . 4.320 2.495 2.042 3.514 . 0 0 "[ . 1 . 2]" 1
1418 1 68 GLU QG 1 70 LYS HB3 . . 5.310 3.953 3.345 4.769 . 0 0 "[ . 1 . 2]" 1
1419 1 68 GLU QG 1 70 LYS HE2 . . 5.500 5.036 4.303 6.257 0.757 12 2 "[ . 1-+ . 2]" 1
1420 1 68 GLU QG 1 70 LYS HG2 . . 4.270 3.569 2.165 4.369 0.099 15 0 "[ . 1 . 2]" 1
1421 1 70 LYS H 1 70 LYS HB2 . . 3.280 2.204 2.093 2.549 . 0 0 "[ . 1 . 2]" 1
1422 1 70 LYS H 1 70 LYS HB3 . . 3.320 3.169 2.505 3.409 0.089 4 0 "[ . 1 . 2]" 1
1423 1 70 LYS H 1 70 LYS QD . . 5.240 4.805 4.234 5.054 . 0 0 "[ . 1 . 2]" 1
1424 1 70 LYS H 1 70 LYS HG2 . . 5.050 4.058 3.176 4.636 . 0 0 "[ . 1 . 2]" 1
1425 1 70 LYS H 1 70 LYS HG3 . . 5.020 3.939 3.220 4.586 . 0 0 "[ . 1 . 2]" 1
1426 1 70 LYS H 1 71 ILE H . . 4.720 4.546 4.453 4.615 . 0 0 "[ . 1 . 2]" 1
1427 1 70 LYS H 1 72 LEU QD . . 5.500 3.915 3.245 4.444 . 0 0 "[ . 1 . 2]" 1
1428 1 70 LYS HA 1 71 ILE H . . 2.840 2.149 2.046 2.271 . 0 0 "[ . 1 . 2]" 1
1429 1 70 LYS HB2 1 70 LYS HE2 . . 4.870 3.267 2.388 4.934 0.064 12 0 "[ . 1 . 2]" 1
1430 1 70 LYS HB2 1 70 LYS HE3 . . 4.790 4.340 3.368 4.994 0.204 18 0 "[ . 1 . 2]" 1
1431 1 70 LYS HB2 1 71 ILE H . . 4.570 4.328 4.145 4.472 . 0 0 "[ . 1 . 2]" 1
1432 1 70 LYS HB2 1 72 LEU QD . . 4.870 3.290 2.635 4.073 . 0 0 "[ . 1 . 2]" 1
1433 1 70 LYS HB3 1 70 LYS HE3 . . 5.210 3.595 2.333 4.184 . 0 0 "[ . 1 . 2]" 1
1434 1 70 LYS HB3 1 71 ILE H . . 4.640 3.456 2.907 4.131 . 0 0 "[ . 1 . 2]" 1
1435 1 70 LYS HB3 1 72 LEU QD . . 4.910 2.357 2.133 2.735 . 0 0 "[ . 1 . 2]" 1
1436 1 70 LYS QD 1 71 ILE H . . 4.840 3.357 2.236 4.387 . 0 0 "[ . 1 . 2]" 1
1437 1 70 LYS QD 1 72 LEU QD . . 4.510 3.439 2.089 4.361 . 0 0 "[ . 1 . 2]" 1
1438 1 70 LYS HE2 1 71 ILE H . . 5.500 4.993 4.329 5.565 0.065 17 0 "[ . 1 . 2]" 1
1439 1 70 LYS HE2 1 72 LEU QD . . 4.450 2.880 2.032 4.456 0.006 11 0 "[ . 1 . 2]" 1
1440 1 70 LYS HE3 1 72 LEU QD . . 4.830 3.659 2.975 4.622 . 0 0 "[ . 1 . 2]" 1
1441 1 70 LYS HG2 1 71 ILE H . . 4.180 3.259 2.399 4.251 0.071 19 0 "[ . 1 . 2]" 1
1442 1 70 LYS HG3 1 72 LEU QD . . 4.780 4.392 3.829 4.767 . 0 0 "[ . 1 . 2]" 1
1443 1 71 ILE H 1 71 ILE HB . . 2.950 2.346 2.271 2.457 . 0 0 "[ . 1 . 2]" 1
1444 1 71 ILE H 1 71 ILE HG12 . . 3.560 3.449 3.299 3.611 0.051 11 0 "[ . 1 . 2]" 1
1445 1 71 ILE H 1 71 ILE HG13 . . 3.790 2.227 2.042 2.376 . 0 0 "[ . 1 . 2]" 1
1446 1 71 ILE H 1 71 ILE MG . . 3.970 3.735 3.691 3.795 . 0 0 "[ . 1 . 2]" 1
1447 1 71 ILE H 1 72 LEU H . . 4.650 4.054 3.939 4.173 . 0 0 "[ . 1 . 2]" 1
1448 1 71 ILE H 1 72 LEU QD . . 5.400 4.218 3.915 4.603 . 0 0 "[ . 1 . 2]" 1
1449 1 71 ILE HA 1 72 LEU H . . 2.930 2.223 2.124 2.329 . 0 0 "[ . 1 . 2]" 1
1450 1 71 ILE HA 1 73 LYS H . . 3.870 3.762 3.609 3.913 0.043 3 0 "[ . 1 . 2]" 1
1451 1 71 ILE HB 1 72 LEU H . . 5.270 4.558 4.497 4.616 . 0 0 "[ . 1 . 2]" 1
1452 1 71 ILE HG12 1 71 ILE MG . . 3.520 2.428 2.288 2.544 . 0 0 "[ . 1 . 2]" 1
1453 1 71 ILE HG12 1 72 LEU H . . 5.360 4.655 4.447 4.839 . 0 0 "[ . 1 . 2]" 1
1454 1 71 ILE HG13 1 71 ILE MG . . 3.430 3.252 3.231 3.272 . 0 0 "[ . 1 . 2]" 1
1455 1 71 ILE HG13 1 72 LEU H . . 5.380 5.003 4.876 5.124 . 0 0 "[ . 1 . 2]" 1
1456 1 71 ILE MG 1 72 LEU H . . 3.730 3.702 3.551 3.815 0.085 20 0 "[ . 1 . 2]" 1
1457 1 71 ILE MG 1 73 LYS H . . 3.690 3.488 3.251 3.686 . 0 0 "[ . 1 . 2]" 1
1458 1 72 LEU H 1 72 LEU QB . . 3.370 2.509 2.401 2.610 . 0 0 "[ . 1 . 2]" 1
1459 1 72 LEU H 1 72 LEU QD . . 3.790 2.632 1.694 3.117 . 0 0 "[ . 1 . 2]" 1
1460 1 72 LEU H 1 72 LEU HG . . 3.720 2.741 2.223 3.810 0.090 14 0 "[ . 1 . 2]" 1
1461 1 72 LEU H 1 73 LYS H . . 2.970 2.669 2.564 2.797 . 0 0 "[ . 1 . 2]" 1
1462 1 72 LEU QB 1 72 LEU QD . . 2.720 2.015 1.957 2.119 . 0 0 "[ . 1 . 2]" 1
1463 1 72 LEU QB 1 73 LYS H . . 3.360 2.510 2.392 2.672 . 0 0 "[ . 1 . 2]" 1
1464 1 72 LEU QD 1 73 LYS H . . 4.660 3.966 3.439 4.166 . 0 0 "[ . 1 . 2]" 1
1465 1 72 LEU HG 1 73 LYS H . . 4.860 4.450 4.128 4.939 0.079 14 0 "[ . 1 . 2]" 1
1466 1 73 LYS H 1 73 LYS HB2 . . 3.610 2.860 2.732 2.911 . 0 0 "[ . 1 . 2]" 1
1467 1 73 LYS H 1 73 LYS HG2 . . 4.760 4.384 4.178 4.701 . 0 0 "[ . 1 . 2]" 1
1468 1 73 LYS H 1 73 LYS HG3 . . 4.620 3.547 3.275 3.768 . 0 0 "[ . 1 . 2]" 1
1469 1 73 LYS H 1 74 VAL H . . 4.580 4.373 4.256 4.498 . 0 0 "[ . 1 . 2]" 1
1470 1 73 LYS H 1 74 VAL HA . . 5.500 4.783 4.608 4.979 . 0 0 "[ . 1 . 2]" 1
1471 1 73 LYS H 1 74 VAL QG . . 4.710 3.961 3.733 4.663 . 0 0 "[ . 1 . 2]" 1
1472 1 73 LYS HA 1 74 VAL H . . 2.770 2.410 2.323 2.519 . 0 0 "[ . 1 . 2]" 1
1473 1 73 LYS HB2 1 73 LYS QE . . 5.120 3.088 2.101 4.252 . 0 0 "[ . 1 . 2]" 1
1474 1 73 LYS HB2 1 74 VAL H . . 4.010 3.768 3.478 3.966 . 0 0 "[ . 1 . 2]" 1
1475 1 73 LYS HB2 1 74 VAL QG . . 5.500 4.838 4.627 4.958 . 0 0 "[ . 1 . 2]" 1
1476 1 73 LYS HB2 1 75 TYR QE . . 5.080 4.072 3.659 4.566 . 0 0 "[ . 1 . 2]" 1
1477 1 73 LYS HB3 1 73 LYS QE . . 4.870 3.092 2.083 4.055 . 0 0 "[ . 1 . 2]" 1
1478 1 73 LYS HB3 1 74 VAL H . . 3.780 2.531 2.284 2.831 . 0 0 "[ . 1 . 2]" 1
1479 1 73 LYS HB3 1 75 TYR QE . . 5.370 3.195 2.534 3.933 . 0 0 "[ . 1 . 2]" 1
1480 1 73 LYS HD2 1 75 TYR QE . . 4.790 3.634 2.191 4.892 0.102 8 0 "[ . 1 . 2]" 1
1481 1 73 LYS HD3 1 74 VAL H . . 5.500 5.402 4.591 5.780 0.280 7 0 "[ . 1 . 2]" 1
1482 1 73 LYS HD3 1 75 TYR QE . . 4.410 3.609 2.094 4.480 0.070 7 0 "[ . 1 . 2]" 1
1483 1 73 LYS QE 1 73 LYS HG2 . . 3.880 3.061 2.465 3.541 . 0 0 "[ . 1 . 2]" 1
1484 1 73 LYS QE 1 73 LYS HG3 . . 3.770 3.088 2.594 3.542 . 0 0 "[ . 1 . 2]" 1
1485 1 73 LYS QE 1 75 TYR QE . . 3.850 3.027 1.973 3.733 . 0 0 "[ . 1 . 2]" 1
1486 1 73 LYS HG2 1 74 VAL H . . 4.670 3.991 3.610 4.387 . 0 0 "[ . 1 . 2]" 1
1487 1 73 LYS HG3 1 74 VAL H . . 5.040 4.879 4.526 5.086 0.046 18 0 "[ . 1 . 2]" 1
1488 1 74 VAL H 1 74 VAL HB . . 3.410 2.822 2.673 3.485 0.075 20 0 "[ . 1 . 2]" 1
1489 1 74 VAL H 1 74 VAL QG . . 3.650 2.846 2.211 2.985 . 0 0 "[ . 1 . 2]" 1
1490 1 74 VAL H 1 75 TYR H . . 4.630 4.211 4.043 4.279 . 0 0 "[ . 1 . 2]" 1
1491 1 74 VAL H 1 75 TYR QE . . 4.860 4.722 4.073 4.938 0.078 13 0 "[ . 1 . 2]" 1
1492 1 74 VAL HA 1 75 TYR H . . 2.880 2.239 2.154 2.312 . 0 0 "[ . 1 . 2]" 1
1493 1 74 VAL HB 1 75 TYR H . . 4.710 4.100 3.927 4.302 . 0 0 "[ . 1 . 2]" 1
1494 1 74 VAL QG 1 75 TYR H . . 3.450 2.548 2.249 2.799 . 0 0 "[ . 1 . 2]" 1
1495 1 74 VAL QG 1 76 ASP H . . 5.240 4.041 3.156 4.585 . 0 0 "[ . 1 . 2]" 1
1496 1 75 TYR H 1 75 TYR HB2 . . 3.950 2.748 2.559 2.935 . 0 0 "[ . 1 . 2]" 1
1497 1 75 TYR H 1 75 TYR HB3 . . 3.680 3.804 3.660 3.947 0.267 17 0 "[ . 1 . 2]" 1
1498 1 75 TYR H 1 75 TYR QD . . 3.870 3.510 3.047 3.948 0.078 17 0 "[ . 1 . 2]" 1
1499 1 75 TYR H 1 76 ASP H . . 5.430 4.283 3.965 4.401 . 0 0 "[ . 1 . 2]" 1
1500 1 75 TYR HA 1 75 TYR QD . . 3.280 2.790 2.296 3.017 . 0 0 "[ . 1 . 2]" 1
1501 1 75 TYR HA 1 75 TYR QE . . 4.470 4.525 4.336 4.564 0.094 10 0 "[ . 1 . 2]" 1
1502 1 75 TYR HA 1 76 ASP H . . 3.160 2.317 2.099 2.433 . 0 0 "[ . 1 . 2]" 1
1503 1 75 TYR HB2 1 76 ASP H . . 4.290 4.127 3.836 4.442 0.152 17 0 "[ . 1 . 2]" 1
1504 1 75 TYR HB2 1 79 ILE MD . . 3.540 3.337 2.692 4.289 0.749 18 1 "[ . 1 . + 2]" 1
1505 1 75 TYR HB2 1 79 ILE MG . . 3.840 2.974 2.455 3.543 . 0 0 "[ . 1 . 2]" 1
1506 1 75 TYR HB3 1 76 ASP H . . 4.880 3.027 2.670 3.681 . 0 0 "[ . 1 . 2]" 1
1507 1 75 TYR HB3 1 79 ILE HB . . 5.230 3.206 2.530 3.707 . 0 0 "[ . 1 . 2]" 1
1508 1 75 TYR HB3 1 79 ILE MD . . 4.610 2.626 2.170 3.124 . 0 0 "[ . 1 . 2]" 1
1509 1 75 TYR HB3 1 79 ILE MG . . 4.450 2.544 2.223 2.894 . 0 0 "[ . 1 . 2]" 1
1510 1 75 TYR QD 1 76 ASP H . . 4.080 3.750 3.264 4.114 0.034 17 0 "[ . 1 . 2]" 1
1511 1 75 TYR QD 1 79 ILE MD . . 3.480 2.705 2.353 3.176 . 0 0 "[ . 1 . 2]" 1
1512 1 75 TYR QD 1 79 ILE MG . . 4.540 3.973 3.507 4.133 . 0 0 "[ . 1 . 2]" 1
1513 1 75 TYR QE 1 79 ILE MD . . 4.580 3.619 3.308 4.035 . 0 0 "[ . 1 . 2]" 1
1514 1 75 TYR QE 1 79 ILE MG . . 5.500 5.473 5.027 5.601 0.101 15 0 "[ . 1 . 2]" 1
1515 1 76 ASP H 1 76 ASP HB2 . . 3.400 2.412 2.233 2.611 . 0 0 "[ . 1 . 2]" 1
1516 1 76 ASP H 1 76 ASP HB3 . . 3.360 2.626 2.376 2.826 . 0 0 "[ . 1 . 2]" 1
1517 1 76 ASP HA 1 77 GLY H . . 3.450 2.367 2.203 2.444 . 0 0 "[ . 1 . 2]" 1
1518 1 76 ASP HB2 1 77 GLY H . . 4.590 4.029 3.776 4.219 . 0 0 "[ . 1 . 2]" 1
1519 1 76 ASP HB2 1 78 GLU QB . . 4.800 4.386 3.904 4.882 0.082 16 0 "[ . 1 . 2]" 1
1520 1 76 ASP HB3 1 77 GLY H . . 4.700 3.677 3.512 4.046 . 0 0 "[ . 1 . 2]" 1
1521 1 76 ASP HB3 1 78 GLU H . . 4.330 3.006 2.666 3.374 . 0 0 "[ . 1 . 2]" 1
1522 1 76 ASP HB3 1 78 GLU QB . . 4.270 2.877 2.290 3.520 . 0 0 "[ . 1 . 2]" 1
1523 1 77 GLY H 1 78 GLU H . . 3.850 2.670 2.433 3.082 . 0 0 "[ . 1 . 2]" 1
1524 1 77 GLY HA2 1 79 ILE MG . . 4.100 3.126 2.875 3.579 . 0 0 "[ . 1 . 2]" 1
1525 1 77 GLY HA2 1 80 PHE HB2 . . 3.920 3.983 3.855 4.004 0.084 9 0 "[ . 1 . 2]" 1
1526 1 77 GLY HA3 1 79 ILE H . . 4.490 4.511 4.422 4.561 0.071 1 0 "[ . 1 . 2]" 1
1527 1 77 GLY HA3 1 79 ILE MG . . 4.830 4.484 4.299 4.942 0.112 18 0 "[ . 1 . 2]" 1
1528 1 78 GLU H 1 78 GLU QB . . 3.010 2.367 2.183 2.484 . 0 0 "[ . 1 . 2]" 1
1529 1 78 GLU H 1 78 GLU HG2 . . 3.850 2.946 2.225 3.616 . 0 0 "[ . 1 . 2]" 1
1530 1 78 GLU H 1 78 GLU HG3 . . 3.840 2.746 2.105 3.626 . 0 0 "[ . 1 . 2]" 1
1531 1 78 GLU H 1 79 ILE H . . 3.260 2.851 2.644 2.960 . 0 0 "[ . 1 . 2]" 1
1532 1 78 GLU H 1 79 ILE HB . . 5.500 4.911 4.756 5.075 . 0 0 "[ . 1 . 2]" 1
1533 1 78 GLU H 1 79 ILE MG . . 5.500 4.285 4.142 4.553 . 0 0 "[ . 1 . 2]" 1
1534 1 78 GLU H 1 80 PHE H . . 5.230 4.427 4.252 4.533 . 0 0 "[ . 1 . 2]" 1
1535 1 78 GLU HA 1 81 TYR QD . . 2.750 2.314 2.046 2.830 0.080 16 0 "[ . 1 . 2]" 1
1536 1 78 GLU HA 1 81 TYR QE . . 3.520 2.925 2.249 3.569 0.049 2 0 "[ . 1 . 2]" 1
1537 1 78 GLU QB 1 79 ILE H . . 3.920 2.955 2.716 3.203 . 0 0 "[ . 1 . 2]" 1
1538 1 78 GLU QB 1 79 ILE MG . . 5.500 4.628 4.436 4.928 . 0 0 "[ . 1 . 2]" 1
1539 1 78 GLU QB 1 80 PHE H . . 5.170 4.573 4.259 4.775 . 0 0 "[ . 1 . 2]" 1
1540 1 78 GLU QB 1 81 TYR QD . . 5.070 3.851 3.341 4.454 . 0 0 "[ . 1 . 2]" 1
1541 1 78 GLU HG2 1 79 ILE H . . 5.150 4.961 4.620 5.299 0.149 15 0 "[ . 1 . 2]" 1
1542 1 78 GLU HG3 1 79 ILE H . . 5.330 4.874 4.496 5.224 . 0 0 "[ . 1 . 2]" 1
1543 1 78 GLU HG3 1 81 TYR QD . . 5.500 5.415 4.364 6.054 0.554 10 2 "[ - . + . 2]" 1
1544 1 79 ILE H 1 79 ILE HB . . 3.100 2.307 2.171 2.484 . 0 0 "[ . 1 . 2]" 1
1545 1 79 ILE H 1 79 ILE MD . . 4.570 4.265 4.121 4.549 . 0 0 "[ . 1 . 2]" 1
1546 1 79 ILE H 1 79 ILE HG12 . . 4.460 4.523 4.507 4.537 0.077 18 0 "[ . 1 . 2]" 1
1547 1 79 ILE H 1 79 ILE HG13 . . 5.030 4.288 4.154 4.358 . 0 0 "[ . 1 . 2]" 1
1548 1 79 ILE H 1 79 ILE MG . . 3.380 2.280 2.121 2.584 . 0 0 "[ . 1 . 2]" 1
1549 1 79 ILE H 1 80 PHE H . . 3.400 2.769 2.634 2.836 . 0 0 "[ . 1 . 2]" 1
1550 1 79 ILE H 1 81 TYR H . . 5.420 4.537 4.196 4.956 . 0 0 "[ . 1 . 2]" 1
1551 1 79 ILE HB 1 79 ILE MD . . 3.620 2.382 2.265 2.501 . 0 0 "[ . 1 . 2]" 1
1552 1 79 ILE HB 1 80 PHE H . . 4.950 4.165 4.005 4.340 . 0 0 "[ . 1 . 2]" 1
1553 1 79 ILE MD 1 79 ILE MG . . 3.620 2.140 2.065 2.233 . 0 0 "[ . 1 . 2]" 1
1554 1 79 ILE HG13 1 80 PHE H . . 5.500 5.072 4.858 5.258 . 0 0 "[ . 1 . 2]" 1
1555 1 79 ILE HG13 1 82 HIS HB3 . . 5.320 3.379 2.741 3.962 . 0 0 "[ . 1 . 2]" 1
1556 1 79 ILE MG 1 80 PHE H . . 3.660 2.580 2.289 2.942 . 0 0 "[ . 1 . 2]" 1
1557 1 79 ILE MG 1 80 PHE HB2 . . 4.700 3.576 3.076 4.153 . 0 0 "[ . 1 . 2]" 1
1558 1 79 ILE MG 1 80 PHE HB3 . . 4.840 4.403 3.898 4.854 0.014 3 0 "[ . 1 . 2]" 1
1559 1 79 ILE MG 1 81 TYR H . . 5.500 4.628 4.354 4.911 . 0 0 "[ . 1 . 2]" 1
1560 1 79 ILE MG 1 82 HIS HB3 . . 5.500 4.993 4.601 5.569 0.069 16 0 "[ . 1 . 2]" 1
1561 1 80 PHE H 1 80 PHE HB2 . . 3.340 2.481 2.309 2.594 . 0 0 "[ . 1 . 2]" 1
1562 1 80 PHE H 1 80 PHE HB3 . . 3.100 2.456 2.266 2.645 . 0 0 "[ . 1 . 2]" 1
1563 1 80 PHE H 1 81 TYR QE . . 5.160 4.402 3.879 5.073 . 0 0 "[ . 1 . 2]" 1
1564 1 80 PHE HA 1 80 PHE QD . . 3.490 2.407 2.122 2.957 . 0 0 "[ . 1 . 2]" 1
1565 1 80 PHE HB3 1 81 TYR QE . . 4.600 3.369 2.787 4.373 . 0 0 "[ . 1 . 2]" 1
1566 1 81 TYR H 1 81 TYR HB2 . . 3.870 2.651 2.475 3.788 . 0 0 "[ . 1 . 2]" 1
1567 1 81 TYR H 1 81 TYR HB3 . . 3.560 3.604 2.947 3.763 0.203 6 0 "[ . 1 . 2]" 1
1568 1 81 TYR H 1 81 TYR QD . . 3.670 2.498 2.089 2.916 . 0 0 "[ . 1 . 2]" 1
1569 1 81 TYR H 1 82 HIS H . . 3.300 2.461 2.198 2.895 . 0 0 "[ . 1 . 2]" 1
1570 1 81 TYR H 1 82 HIS HA . . 5.350 4.852 4.206 5.125 . 0 0 "[ . 1 . 2]" 1
1571 1 81 TYR HA 1 82 HIS H . . 3.380 3.311 2.979 3.451 0.071 19 0 "[ . 1 . 2]" 1
1572 1 81 TYR HB2 1 82 HIS H . . 5.500 3.581 3.088 4.513 . 0 0 "[ . 1 . 2]" 1
1573 1 81 TYR HB3 1 82 HIS H . . 4.390 4.370 4.066 4.617 0.227 18 0 "[ . 1 . 2]" 1
1574 1 82 HIS H 1 82 HIS HB2 . . 3.180 2.421 2.235 2.780 . 0 0 "[ . 1 . 2]" 1
1575 1 82 HIS H 1 82 HIS HB3 . . 3.220 2.489 2.273 2.790 . 0 0 "[ . 1 . 2]" 1
1576 1 82 HIS H 1 82 HIS HD2 . . 5.290 5.013 4.756 5.334 0.044 17 0 "[ . 1 . 2]" 1
1577 1 82 HIS H 1 83 ARG HA . . 5.500 5.445 4.639 5.586 0.086 16 0 "[ . 1 . 2]" 1
1578 1 82 HIS HA 1 83 ARG H . . 2.820 2.525 2.164 2.868 0.048 20 0 "[ . 1 . 2]" 1
1579 1 82 HIS HB3 1 82 HIS HD2 . . 3.480 2.644 2.507 2.886 . 0 0 "[ . 1 . 2]" 1
1580 1 82 HIS HB3 1 83 ARG H . . 4.570 3.756 2.739 4.497 . 0 0 "[ . 1 . 2]" 1
1581 1 82 HIS HD2 1 83 ARG H . . 5.500 4.172 2.170 5.577 0.077 16 0 "[ . 1 . 2]" 1
1582 1 83 ARG H 1 83 ARG HB2 . . 3.930 3.097 2.262 3.988 0.058 3 0 "[ . 1 . 2]" 1
1583 1 83 ARG H 1 83 ARG HB3 . . 3.500 3.534 2.629 3.971 0.471 10 0 "[ . 1 . 2]" 1
1584 1 83 ARG H 1 83 ARG QD . . 5.150 4.719 3.830 5.196 0.046 14 0 "[ . 1 . 2]" 1
1585 1 83 ARG H 1 83 ARG QG . . 3.770 3.214 2.007 3.870 0.100 1 0 "[ . 1 . 2]" 1
1586 1 83 ARG HB2 1 83 ARG QD . . 3.700 2.758 2.161 3.519 . 0 0 "[ . 1 . 2]" 1
1587 1 83 ARG HB2 1 83 ARG QG . . 2.590 2.329 2.107 2.518 . 0 0 "[ . 1 . 2]" 1
1588 1 83 ARG HB3 1 83 ARG QD . . 3.790 2.454 2.177 3.194 . 0 0 "[ . 1 . 2]" 1
1589 1 83 ARG HB3 1 83 ARG QG . . 2.680 2.388 2.248 2.486 . 0 0 "[ . 1 . 2]" 1
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