NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
547729 |
2rsn   |
11496 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rsn
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 790
_Distance_constraint_stats_list.Viol_count 1159
_Distance_constraint_stats_list.Viol_total 1478.647
_Distance_constraint_stats_list.Viol_max 1.202
_Distance_constraint_stats_list.Viol_rms 0.0355
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0638
_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 4 VAL 0.192 0.047 14 0 "[ . 1 . 2]"
1 5 LYS 0.235 0.047 14 0 "[ . 1 . 2]"
1 6 PRO 0.042 0.018 5 0 "[ . 1 . 2]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASP 0.043 0.019 17 0 "[ . 1 . 2]"
1 10 ILE 0.931 0.167 17 0 "[ . 1 . 2]"
1 11 ASP 0.888 0.167 17 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.029 0.018 20 0 "[ . 1 . 2]"
1 17 THR 0.444 0.085 8 0 "[ . 1 . 2]"
1 18 ASP 0.744 0.120 7 0 "[ . 1 . 2]"
1 19 ALA 0.340 0.038 20 0 "[ . 1 . 2]"
1 20 ASP 0.295 0.038 20 0 "[ . 1 . 2]"
1 21 VAL 2.806 0.194 17 0 "[ . 1 . 2]"
1 22 TYR 19.831 1.202 2 20 [*+**************-***]
1 23 GLU 6.653 0.240 18 0 "[ . 1 . 2]"
1 24 VAL 6.651 0.240 18 0 "[ . 1 . 2]"
1 25 GLU 1.227 0.104 13 0 "[ . 1 . 2]"
1 26 ASP 1.245 0.119 1 0 "[ . 1 . 2]"
1 27 ILE 2.950 0.163 11 0 "[ . 1 . 2]"
1 28 LEU 0.325 0.163 11 0 "[ . 1 . 2]"
1 29 ALA 0.382 0.079 20 0 "[ . 1 . 2]"
1 30 ASP 0.154 0.052 5 0 "[ . 1 . 2]"
1 31 ARG 0.938 0.087 18 0 "[ . 1 . 2]"
1 32 VAL 0.492 0.074 13 0 "[ . 1 . 2]"
1 33 ASN 2.920 0.142 15 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.400 0.122 10 0 "[ . 1 . 2]"
1 36 GLY 0.987 0.072 16 0 "[ . 1 . 2]"
1 37 ILE 5.139 0.125 13 0 "[ . 1 . 2]"
1 38 ASN 0.803 0.167 9 0 "[ . 1 . 2]"
1 39 GLU 0.978 0.145 10 0 "[ . 1 . 2]"
1 40 TYR 2.355 0.139 9 0 "[ . 1 . 2]"
1 41 TYR 0.427 0.045 11 0 "[ . 1 . 2]"
1 42 ILE 0.158 0.025 18 0 "[ . 1 . 2]"
1 43 LYS 1.939 0.119 1 0 "[ . 1 . 2]"
1 44 TRP 0.883 0.091 13 0 "[ . 1 . 2]"
1 45 ALA 0.867 0.104 13 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 19.589 1.202 2 20 [*+**************-***]
1 48 ASP 1.469 0.125 17 0 "[ . 1 . 2]"
1 49 TRP 0.713 0.054 12 0 "[ . 1 . 2]"
1 50 TYR 0.200 0.039 8 0 "[ . 1 . 2]"
1 51 ASP 0.705 0.125 17 0 "[ . 1 . 2]"
1 52 ASN 0.145 0.091 13 0 "[ . 1 . 2]"
1 53 THR 0.796 0.175 15 0 "[ . 1 . 2]"
1 54 TRP 2.400 0.124 15 0 "[ . 1 . 2]"
1 55 GLU 1.024 0.145 10 0 "[ . 1 . 2]"
1 56 PRO 0.943 0.126 1 0 "[ . 1 . 2]"
1 57 GLU 0.208 0.056 18 0 "[ . 1 . 2]"
1 58 GLN 0.893 0.137 19 0 "[ . 1 . 2]"
1 59 ASN 5.468 0.355 18 0 "[ . 1 . 2]"
1 60 LEU 1.092 0.113 10 0 "[ . 1 . 2]"
1 61 PHE 0.801 0.075 17 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 2.991 0.147 19 0 "[ . 1 . 2]"
1 64 GLU 0.845 0.205 16 0 "[ . 1 . 2]"
1 65 LYS 0.013 0.010 18 0 "[ . 1 . 2]"
1 66 VAL 1.796 0.147 19 0 "[ . 1 . 2]"
1 67 LEU 1.901 0.233 17 0 "[ . 1 . 2]"
1 68 LYS 1.203 0.191 19 0 "[ . 1 . 2]"
1 69 LYS 0.218 0.112 14 0 "[ . 1 . 2]"
1 70 TRP 3.692 0.221 11 0 "[ . 1 . 2]"
1 71 LYS 3.867 0.233 17 0 "[ . 1 . 2]"
1 72 LYS 1.745 0.241 19 0 "[ . 1 . 2]"
1 73 ARG 1.057 0.129 16 0 "[ . 1 . 2]"
1 74 LYS 1.262 0.192 6 0 "[ . 1 . 2]"
1 75 LYS 0.228 0.075 13 0 "[ . 1 . 2]"
2 4 LYS 0.884 0.170 8 0 "[ . 1 . 2]"
2 5 GLN 3.118 0.161 20 0 "[ . 1 . 2]"
2 6 THR 4.489 0.172 15 0 "[ . 1 . 2]"
2 7 ALA 0.633 0.071 7 0 "[ . 1 . 2]"
2 8 ARG 4.159 0.194 17 0 "[ . 1 . 2]"
2 10 SER 2.204 0.355 18 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 4 VAL QG 1 5 LYS HA . . 3.820 3.721 3.385 3.867 0.047 14 0 "[ . 1 . 2]" 1
2 1 5 LYS H 1 5 LYS QD . . 5.370 3.837 2.394 4.777 . 0 0 "[ . 1 . 2]" 1
3 1 5 LYS HA 1 5 LYS QD . . 4.530 3.757 2.074 4.464 . 0 0 "[ . 1 . 2]" 1
4 1 5 LYS HA 1 5 LYS QG . . 3.900 2.895 2.232 3.544 . 0 0 "[ . 1 . 2]" 1
5 1 5 LYS HA 1 6 PRO HD2 . . 3.150 2.853 2.390 3.168 0.018 5 0 "[ . 1 . 2]" 1
6 1 5 LYS HA 1 6 PRO HD3 . . 3.150 2.221 1.956 2.746 . 0 0 "[ . 1 . 2]" 1
7 1 7 LEU H 1 7 LEU QB . . 3.370 2.551 2.294 2.990 . 0 0 "[ . 1 . 2]" 1
8 1 7 LEU HA 1 7 LEU MD1 . . 4.330 3.415 2.084 4.140 . 0 0 "[ . 1 . 2]" 1
9 1 7 LEU HA 1 7 LEU QD . . 3.720 2.584 2.054 3.450 . 0 0 "[ . 1 . 2]" 1
10 1 7 LEU HA 1 7 LEU MD2 . . 4.330 3.073 2.066 4.140 . 0 0 "[ . 1 . 2]" 1
11 1 7 LEU HA 1 8 PRO HD2 . . 3.380 3.044 2.327 3.328 . 0 0 "[ . 1 . 2]" 1
12 1 7 LEU HA 1 8 PRO QD . . 2.840 2.058 1.889 2.352 . 0 0 "[ . 1 . 2]" 1
13 1 7 LEU HA 1 8 PRO HD3 . . 3.380 2.144 1.906 2.961 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU QB 1 8 PRO HD2 . . 4.310 2.365 1.941 2.615 . 0 0 "[ . 1 . 2]" 1
15 1 7 LEU QB 1 8 PRO QD . . 3.540 2.256 1.933 2.447 . 0 0 "[ . 1 . 2]" 1
16 1 7 LEU QB 1 8 PRO HD3 . . 4.310 2.977 2.610 3.534 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU QD 1 8 PRO QD . . 4.060 2.958 2.435 3.521 . 0 0 "[ . 1 . 2]" 1
18 1 7 LEU MD1 1 8 PRO HD2 . . 5.500 3.967 2.495 5.003 . 0 0 "[ . 1 . 2]" 1
19 1 7 LEU MD1 1 8 PRO HD3 . . 5.500 4.350 2.854 5.098 . 0 0 "[ . 1 . 2]" 1
20 1 7 LEU MD2 1 8 PRO HD2 . . 5.500 3.920 3.095 5.150 . 0 0 "[ . 1 . 2]" 1
21 1 7 LEU MD2 1 8 PRO HD3 . . 5.500 4.083 2.851 5.454 . 0 0 "[ . 1 . 2]" 1
22 1 9 ASP HA 1 10 ILE H . . 3.470 3.423 3.252 3.489 0.019 17 0 "[ . 1 . 2]" 1
23 1 9 ASP QB 1 10 ILE H . . 4.320 3.049 2.455 3.453 . 0 0 "[ . 1 . 2]" 1
24 1 10 ILE H 1 10 ILE HB . . 3.460 2.574 2.381 2.710 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE H 1 10 ILE MD . . 4.580 3.329 2.020 3.926 . 0 0 "[ . 1 . 2]" 1
26 1 10 ILE H 1 10 ILE QG . . 3.970 2.581 2.041 3.654 . 0 0 "[ . 1 . 2]" 1
27 1 10 ILE H 1 10 ILE MG . . 4.360 3.814 3.729 3.854 . 0 0 "[ . 1 . 2]" 1
28 1 10 ILE HA 1 10 ILE MD . . 3.990 3.224 2.070 3.904 . 0 0 "[ . 1 . 2]" 1
29 1 10 ILE HA 1 10 ILE MG . . 3.530 2.420 2.336 2.531 . 0 0 "[ . 1 . 2]" 1
30 1 10 ILE HA 1 11 ASP H . . 3.040 2.236 2.098 2.398 . 0 0 "[ . 1 . 2]" 1
31 1 10 ILE HB 1 11 ASP H . . 4.140 3.962 3.748 4.147 0.007 2 0 "[ . 1 . 2]" 1
32 1 10 ILE MG 1 11 ASP H . . 4.190 2.373 2.151 2.654 . 0 0 "[ . 1 . 2]" 1
33 1 10 ILE MG 1 11 ASP HB2 . . 4.350 4.323 4.082 4.417 0.067 9 0 "[ . 1 . 2]" 1
34 1 10 ILE MG 1 11 ASP QB . . 3.600 3.502 3.174 3.767 0.167 17 0 "[ . 1 . 2]" 1
35 1 10 ILE MG 1 11 ASP HB3 . . 4.350 3.707 3.300 4.091 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASP H 1 11 ASP QB . . 3.420 2.254 2.175 2.301 . 0 0 "[ . 1 . 2]" 1
37 1 12 SER H 1 12 SER QB . . 3.610 2.436 2.282 2.771 . 0 0 "[ . 1 . 2]" 1
38 1 13 ASN HA 1 13 ASN QD . . 4.090 3.293 1.768 4.002 . 0 0 "[ . 1 . 2]" 1
39 1 13 ASN HA 1 14 GLU H . . 3.310 2.313 2.118 2.533 . 0 0 "[ . 1 . 2]" 1
40 1 14 GLU H 1 14 GLU QB . . 3.550 2.511 2.289 2.940 . 0 0 "[ . 1 . 2]" 1
41 1 14 GLU HA 1 14 GLU QG . . 3.880 2.684 2.371 3.498 . 0 0 "[ . 1 . 2]" 1
42 1 14 GLU HA 1 15 GLY H . . 3.200 2.295 2.039 2.625 . 0 0 "[ . 1 . 2]" 1
43 1 15 GLY QA 1 16 GLU H . . 3.040 2.177 2.078 2.362 . 0 0 "[ . 1 . 2]" 1
44 1 16 GLU H 1 16 GLU QB . . 3.230 2.591 2.220 3.045 . 0 0 "[ . 1 . 2]" 1
45 1 16 GLU HA 1 16 GLU QG . . 3.560 2.927 2.414 3.578 0.018 20 0 "[ . 1 . 2]" 1
46 1 16 GLU HA 1 17 THR H . . 2.820 2.222 2.046 2.368 . 0 0 "[ . 1 . 2]" 1
47 1 17 THR H 1 17 THR MG . . 3.940 3.492 1.986 3.890 . 0 0 "[ . 1 . 2]" 1
48 1 17 THR HA 1 17 THR MG . . 3.110 2.307 2.196 3.195 0.085 8 0 "[ . 1 . 2]" 1
49 1 17 THR HA 1 18 ASP H . . 3.310 3.212 3.021 3.378 0.068 7 0 "[ . 1 . 2]" 1
50 1 17 THR HB 1 18 ASP H . . 4.420 3.749 3.112 4.447 0.027 8 0 "[ . 1 . 2]" 1
51 1 17 THR HB 1 21 VAL HB . . 4.700 3.511 2.406 4.734 0.034 16 0 "[ . 1 . 2]" 1
52 1 17 THR MG 1 18 ASP H . . 4.670 4.213 3.319 4.448 . 0 0 "[ . 1 . 2]" 1
53 1 17 THR MG 1 21 VAL HB . . 4.900 3.686 2.086 4.946 0.046 15 0 "[ . 1 . 2]" 1
54 1 18 ASP H 1 18 ASP QB . . 3.430 2.365 2.167 2.534 . 0 0 "[ . 1 . 2]" 1
55 1 18 ASP H 1 21 VAL HB . . 5.500 4.534 3.859 5.558 0.058 1 0 "[ . 1 . 2]" 1
56 1 18 ASP H 1 21 VAL QG . . 4.730 4.462 3.197 4.850 0.120 7 0 "[ . 1 . 2]" 1
57 1 18 ASP QB 1 19 ALA H . . 3.890 2.990 2.599 3.553 . 0 0 "[ . 1 . 2]" 1
58 1 19 ALA H 1 19 ALA MB . . 2.850 2.236 2.213 2.254 . 0 0 "[ . 1 . 2]" 1
59 1 19 ALA HA 1 20 ASP H . . 3.480 3.494 3.477 3.518 0.038 20 0 "[ . 1 . 2]" 1
60 1 19 ALA HA 1 21 VAL H . . 4.270 4.186 4.040 4.292 0.022 14 0 "[ . 1 . 2]" 1
61 1 19 ALA MB 1 20 ASP H . . 3.380 2.841 2.766 2.928 . 0 0 "[ . 1 . 2]" 1
62 1 19 ALA MB 1 20 ASP HA . . 4.230 4.160 4.064 4.235 0.005 5 0 "[ . 1 . 2]" 1
63 1 19 ALA MB 1 21 VAL H . . 4.470 4.391 4.324 4.472 0.002 2 0 "[ . 1 . 2]" 1
64 1 20 ASP H 1 20 ASP QB . . 3.430 2.600 2.430 3.023 . 0 0 "[ . 1 . 2]" 1
65 1 20 ASP H 1 21 VAL H . . 3.020 2.116 1.990 2.282 . 0 0 "[ . 1 . 2]" 1
66 1 20 ASP H 1 21 VAL HB . . 4.400 3.977 3.467 4.406 0.006 17 0 "[ . 1 . 2]" 1
67 1 20 ASP H 1 21 VAL QG . . 3.700 3.332 2.985 3.517 . 0 0 "[ . 1 . 2]" 1
68 1 20 ASP HA 1 21 VAL H . . 3.470 3.117 3.013 3.239 . 0 0 "[ . 1 . 2]" 1
69 1 20 ASP QB 1 21 VAL H . . 4.050 3.728 3.596 4.047 . 0 0 "[ . 1 . 2]" 1
70 1 21 VAL H 1 21 VAL HB . . 3.240 2.926 2.781 3.250 0.010 3 0 "[ . 1 . 2]" 1
71 1 21 VAL H 1 21 VAL QG . . 2.910 2.933 2.703 2.986 0.076 4 0 "[ . 1 . 2]" 1
72 1 21 VAL H 1 22 TYR H . . 4.380 4.020 3.919 4.134 . 0 0 "[ . 1 . 2]" 1
73 1 21 VAL HA 1 21 VAL QG . . 2.960 2.186 2.152 2.236 . 0 0 "[ . 1 . 2]" 1
74 1 21 VAL HA 1 22 TYR H . . 3.160 2.133 2.069 2.254 . 0 0 "[ . 1 . 2]" 1
75 1 21 VAL HA 1 22 TYR QD . . 4.980 3.762 3.271 4.429 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL HA 1 61 PHE QE . . 5.500 4.762 4.425 5.236 . 0 0 "[ . 1 . 2]" 1
77 1 21 VAL HB 1 22 TYR H . . 4.430 4.268 4.029 4.407 . 0 0 "[ . 1 . 2]" 1
78 1 21 VAL HB 2 6 THR HB . . 5.500 4.913 4.393 5.194 . 0 0 "[ . 1 . 2]" 1
79 1 21 VAL HB 2 6 THR MG . . 5.500 5.248 4.704 5.629 0.129 1 0 "[ . 1 . 2]" 1
80 1 21 VAL HB 2 8 ARG HA . . 4.490 4.436 3.728 4.684 0.194 17 0 "[ . 1 . 2]" 1
81 1 21 VAL QG 1 22 TYR H . . 3.110 2.862 2.730 2.982 . 0 0 "[ . 1 . 2]" 1
82 1 21 VAL QG 1 22 TYR HA . . 5.150 3.682 3.364 3.941 . 0 0 "[ . 1 . 2]" 1
83 1 21 VAL QG 1 61 PHE QE . . 4.140 2.833 2.405 3.580 . 0 0 "[ . 1 . 2]" 1
84 1 21 VAL QG 2 6 THR HB . . 3.610 2.442 2.151 2.839 . 0 0 "[ . 1 . 2]" 1
85 1 21 VAL QG 2 7 ALA HA . . 3.550 3.105 2.671 3.594 0.044 19 0 "[ . 1 . 2]" 1
86 1 21 VAL QG 2 8 ARG HA . . 3.170 2.379 1.870 2.918 . 0 0 "[ . 1 . 2]" 1
87 1 21 VAL QG 2 8 ARG QG . . 3.700 2.801 2.228 3.722 0.022 1 0 "[ . 1 . 2]" 1
88 1 22 TYR H 1 22 TYR HB2 . . 3.940 2.560 2.454 2.647 . 0 0 "[ . 1 . 2]" 1
89 1 22 TYR H 1 22 TYR QB . . 3.450 2.517 2.419 2.597 . 0 0 "[ . 1 . 2]" 1
90 1 22 TYR H 1 22 TYR HB3 . . 3.940 3.727 3.661 3.765 . 0 0 "[ . 1 . 2]" 1
91 1 22 TYR H 1 22 TYR QD . . 3.490 2.836 2.548 3.340 . 0 0 "[ . 1 . 2]" 1
92 1 22 TYR H 1 22 TYR QE . . 5.420 4.890 4.539 5.326 . 0 0 "[ . 1 . 2]" 1
93 1 22 TYR H 2 7 ALA HA . . 5.330 4.933 4.774 5.283 . 0 0 "[ . 1 . 2]" 1
94 1 22 TYR H 2 7 ALA MB . . 4.860 4.442 4.283 4.611 . 0 0 "[ . 1 . 2]" 1
95 1 22 TYR H 2 8 ARG HA . . 4.070 3.395 3.219 3.897 . 0 0 "[ . 1 . 2]" 1
96 1 22 TYR H 2 8 ARG QB . . 5.500 4.914 4.742 5.262 . 0 0 "[ . 1 . 2]" 1
97 1 22 TYR HA 1 22 TYR QD . . 3.990 2.926 2.759 3.118 . 0 0 "[ . 1 . 2]" 1
98 1 22 TYR HA 1 22 TYR QE . . 4.610 4.589 4.427 4.670 0.060 15 0 "[ . 1 . 2]" 1
99 1 22 TYR HA 1 23 GLU H . . 3.070 2.398 2.312 2.468 . 0 0 "[ . 1 . 2]" 1
100 1 22 TYR QB 1 23 GLU H . . 3.240 2.373 2.227 2.474 . 0 0 "[ . 1 . 2]" 1
101 1 22 TYR HB2 1 23 GLU H . . 4.100 3.659 3.488 3.785 . 0 0 "[ . 1 . 2]" 1
102 1 22 TYR HB3 1 23 GLU H . . 4.100 2.404 2.253 2.508 . 0 0 "[ . 1 . 2]" 1
103 1 22 TYR QD 1 23 GLU H . . 3.820 3.519 2.993 3.861 0.041 11 0 "[ . 1 . 2]" 1
104 1 22 TYR QD 1 47 TYR H . . 3.940 4.775 4.450 5.142 1.202 2 20 [*+**************-***] 1
105 1 22 TYR QD 1 47 TYR QB . . 5.340 3.818 3.411 4.127 . 0 0 "[ . 1 . 2]" 1
106 1 22 TYR QE 1 47 TYR QB . . 4.370 4.461 3.551 4.794 0.424 2 0 "[ . 1 . 2]" 1
107 1 23 GLU H 1 23 GLU HB2 . . 3.240 2.245 2.053 2.369 . 0 0 "[ . 1 . 2]" 1
108 1 23 GLU H 1 23 GLU HB3 . . 3.620 3.131 2.424 3.586 . 0 0 "[ . 1 . 2]" 1
109 1 23 GLU H 1 45 ALA MB . . 4.090 4.070 3.697 4.193 0.103 15 0 "[ . 1 . 2]" 1
110 1 23 GLU H 2 6 THR MG . . 4.570 3.984 3.597 4.318 . 0 0 "[ . 1 . 2]" 1
111 1 23 GLU HA 1 24 VAL H . . 3.340 2.063 1.932 2.265 . 0 0 "[ . 1 . 2]" 1
112 1 23 GLU HA 2 6 THR HA . . 5.070 2.321 2.072 2.657 . 0 0 "[ . 1 . 2]" 1
113 1 23 GLU HA 2 6 THR MG . . 4.020 1.924 1.814 2.378 . 0 0 "[ . 1 . 2]" 1
114 1 23 GLU HB2 1 45 ALA MB . . 3.890 2.641 1.893 3.398 . 0 0 "[ . 1 . 2]" 1
115 1 23 GLU HB2 2 4 LYS QD . . 4.770 4.119 2.643 4.833 0.063 6 0 "[ . 1 . 2]" 1
116 1 23 GLU HB2 2 6 THR HB . . 5.080 4.886 4.285 5.208 0.128 3 0 "[ . 1 . 2]" 1
117 1 23 GLU HB2 2 6 THR MG . . 4.720 3.690 3.008 4.189 . 0 0 "[ . 1 . 2]" 1
118 1 23 GLU HB3 1 25 GLU H . . 4.570 4.542 4.240 4.673 0.103 7 0 "[ . 1 . 2]" 1
119 1 23 GLU HB3 1 45 ALA H . . 4.170 3.092 2.538 3.674 . 0 0 "[ . 1 . 2]" 1
120 1 23 GLU HB3 1 45 ALA HA . . 5.500 4.657 4.110 5.165 . 0 0 "[ . 1 . 2]" 1
121 1 23 GLU HB3 1 45 ALA MB . . 3.510 1.985 1.803 2.184 . 0 0 "[ . 1 . 2]" 1
122 1 23 GLU HB3 2 4 LYS QD . . 4.300 3.625 1.945 4.470 0.170 8 0 "[ . 1 . 2]" 1
123 1 23 GLU HB3 2 6 THR HB . . 5.030 5.089 4.966 5.202 0.172 15 0 "[ . 1 . 2]" 1
124 1 23 GLU HB3 2 6 THR MG . . 4.410 3.674 3.261 4.134 . 0 0 "[ . 1 . 2]" 1
125 1 23 GLU QG 2 4 LYS QD . . 3.460 2.443 1.851 3.287 . 0 0 "[ . 1 . 2]" 1
126 1 23 GLU QG 2 4 LYS QE . . 4.600 3.778 2.406 4.621 0.021 19 0 "[ . 1 . 2]" 1
127 1 23 GLU QG 2 6 THR HB . . 4.880 3.854 3.311 4.504 . 0 0 "[ . 1 . 2]" 1
128 1 23 GLU HG2 1 24 VAL H . . 4.100 3.282 2.579 4.271 0.171 13 0 "[ . 1 . 2]" 1
129 1 23 GLU HG2 1 45 ALA MB . . 4.630 3.255 2.199 4.207 . 0 0 "[ . 1 . 2]" 1
130 1 23 GLU HG2 2 4 LYS QD . . 4.130 2.789 2.014 3.920 . 0 0 "[ . 1 . 2]" 1
131 1 23 GLU HG2 2 6 THR MG . . 4.280 2.690 1.793 3.890 . 0 0 "[ . 1 . 2]" 1
132 1 23 GLU HG3 1 24 VAL H . . 4.100 3.704 2.485 4.340 0.240 18 0 "[ . 1 . 2]" 1
133 1 23 GLU HG3 1 45 ALA MB . . 4.630 3.927 2.884 4.416 . 0 0 "[ . 1 . 2]" 1
134 1 23 GLU HG3 2 4 LYS QD . . 4.130 3.304 1.875 4.262 0.132 11 0 "[ . 1 . 2]" 1
135 1 23 GLU HG3 2 6 THR MG . . 4.280 2.361 1.837 2.761 . 0 0 "[ . 1 . 2]" 1
136 1 24 VAL H 1 24 VAL HB . . 3.330 2.552 2.397 2.692 . 0 0 "[ . 1 . 2]" 1
137 1 24 VAL H 1 24 VAL MG1 . . 3.910 3.805 3.710 3.874 . 0 0 "[ . 1 . 2]" 1
138 1 24 VAL H 1 24 VAL MG2 . . 4.290 2.711 2.585 2.834 . 0 0 "[ . 1 . 2]" 1
139 1 24 VAL H 1 45 ALA MB . . 4.820 4.116 3.730 4.385 . 0 0 "[ . 1 . 2]" 1
140 1 24 VAL H 2 5 GLN QG . . 4.920 4.327 3.165 5.081 0.161 20 0 "[ . 1 . 2]" 1
141 1 24 VAL H 2 6 THR HB . . 3.700 3.747 3.558 3.822 0.122 19 0 "[ . 1 . 2]" 1
142 1 24 VAL H 2 6 THR MG . . 3.790 2.868 2.584 3.170 . 0 0 "[ . 1 . 2]" 1
143 1 24 VAL HA 1 24 VAL MG1 . . 3.530 2.457 2.317 2.517 . 0 0 "[ . 1 . 2]" 1
144 1 24 VAL HA 1 24 VAL MG2 . . 3.720 2.305 2.248 2.401 . 0 0 "[ . 1 . 2]" 1
145 1 24 VAL HA 1 25 GLU H . . 3.090 2.102 2.054 2.138 . 0 0 "[ . 1 . 2]" 1
146 1 24 VAL HA 1 26 ASP H . . 4.180 4.010 3.860 4.193 0.013 11 0 "[ . 1 . 2]" 1
147 1 24 VAL HA 1 42 ILE MG . . 4.320 3.048 2.877 3.173 . 0 0 "[ . 1 . 2]" 1
148 1 24 VAL HA 1 44 TRP H . . 5.250 5.152 4.963 5.280 0.030 12 0 "[ . 1 . 2]" 1
149 1 24 VAL HA 1 44 TRP HA . . 4.120 2.794 2.606 3.008 . 0 0 "[ . 1 . 2]" 1
150 1 24 VAL HA 1 44 TRP HE3 . . 4.800 3.530 3.392 3.653 . 0 0 "[ . 1 . 2]" 1
151 1 24 VAL HA 1 45 ALA H . . 3.930 3.172 2.979 3.401 . 0 0 "[ . 1 . 2]" 1
152 1 24 VAL HA 2 7 ALA MB . . 4.820 4.642 4.499 4.815 . 0 0 "[ . 1 . 2]" 1
153 1 24 VAL HB 1 63 ALA MB . . 4.620 2.809 2.299 3.495 . 0 0 "[ . 1 . 2]" 1
154 1 24 VAL HB 2 5 GLN QB . . 3.930 2.695 1.810 3.762 . 0 0 "[ . 1 . 2]" 1
155 1 24 VAL HB 2 5 GLN QG . . 3.890 3.014 2.069 3.730 . 0 0 "[ . 1 . 2]" 1
156 1 24 VAL HB 2 7 ALA MB . . 4.610 4.061 3.948 4.197 . 0 0 "[ . 1 . 2]" 1
157 1 24 VAL MG1 1 25 GLU H . . 4.360 3.089 2.940 3.231 . 0 0 "[ . 1 . 2]" 1
158 1 24 VAL MG1 1 42 ILE MG . . 3.370 2.162 1.957 2.330 . 0 0 "[ . 1 . 2]" 1
159 1 24 VAL MG1 1 43 LYS H . . 4.400 3.760 3.343 4.031 . 0 0 "[ . 1 . 2]" 1
160 1 24 VAL MG1 1 63 ALA MB . . 3.810 2.330 2.050 2.680 . 0 0 "[ . 1 . 2]" 1
161 1 24 VAL MG1 2 5 GLN QB . . 4.300 3.416 2.703 4.395 0.095 11 0 "[ . 1 . 2]" 1
162 1 24 VAL MG1 2 5 GLN QG . . 3.980 3.268 2.361 4.061 0.081 1 0 "[ . 1 . 2]" 1
163 1 24 VAL MG1 2 6 THR HA . . 4.310 4.336 4.121 4.465 0.155 19 0 "[ . 1 . 2]" 1
164 1 24 VAL MG1 2 7 ALA MB . . 3.660 3.686 3.616 3.731 0.071 7 0 "[ . 1 . 2]" 1
165 1 24 VAL MG2 1 25 GLU H . . 4.320 4.011 3.909 4.148 . 0 0 "[ . 1 . 2]" 1
166 1 24 VAL MG2 1 42 ILE MG . . 3.330 2.161 1.941 2.349 . 0 0 "[ . 1 . 2]" 1
167 1 24 VAL MG2 1 43 LYS H . . 5.110 5.043 4.687 5.166 0.056 11 0 "[ . 1 . 2]" 1
168 1 24 VAL MG2 1 63 ALA MB . . 3.840 2.080 1.907 2.341 . 0 0 "[ . 1 . 2]" 1
169 1 24 VAL MG2 2 5 GLN QB . . 4.610 3.780 2.930 4.399 . 0 0 "[ . 1 . 2]" 1
170 1 24 VAL MG2 2 5 GLN QG . . 4.090 3.937 3.553 4.246 0.156 19 0 "[ . 1 . 2]" 1
171 1 24 VAL MG2 2 6 THR HB . . 4.520 3.825 3.650 3.935 . 0 0 "[ . 1 . 2]" 1
172 1 24 VAL MG2 2 7 ALA MB . . 3.550 2.008 1.954 2.072 . 0 0 "[ . 1 . 2]" 1
173 1 25 GLU H 1 25 GLU QB . . 3.330 2.185 2.069 2.252 . 0 0 "[ . 1 . 2]" 1
174 1 25 GLU H 1 26 ASP H . . 3.080 2.655 2.584 2.747 . 0 0 "[ . 1 . 2]" 1
175 1 25 GLU H 1 42 ILE MG . . 4.490 3.795 3.597 3.936 . 0 0 "[ . 1 . 2]" 1
176 1 25 GLU H 1 44 TRP HA . . 3.790 3.085 2.925 3.337 . 0 0 "[ . 1 . 2]" 1
177 1 25 GLU H 1 44 TRP HE3 . . 5.210 5.052 4.885 5.243 0.033 3 0 "[ . 1 . 2]" 1
178 1 25 GLU H 1 45 ALA H . . 3.690 2.909 2.711 3.146 . 0 0 "[ . 1 . 2]" 1
179 1 25 GLU H 1 45 ALA MB . . 4.020 3.199 2.995 3.470 . 0 0 "[ . 1 . 2]" 1
180 1 25 GLU QB 1 26 ASP H . . 3.250 2.212 2.075 2.427 . 0 0 "[ . 1 . 2]" 1
181 1 25 GLU QB 1 26 ASP HA . . 4.910 4.512 4.382 4.822 . 0 0 "[ . 1 . 2]" 1
182 1 25 GLU QB 1 43 LYS H . . 4.500 4.186 3.926 4.541 0.041 9 0 "[ . 1 . 2]" 1
183 1 25 GLU QB 1 43 LYS HA . . 4.660 4.541 4.346 4.687 0.027 8 0 "[ . 1 . 2]" 1
184 1 25 GLU QB 1 45 ALA H . . 4.020 3.406 2.992 4.124 0.104 13 0 "[ . 1 . 2]" 1
185 1 25 GLU QB 1 45 ALA HA . . 4.070 3.563 3.062 4.141 0.071 13 0 "[ . 1 . 2]" 1
186 1 25 GLU QB 1 45 ALA MB . . 3.710 2.261 1.948 3.431 . 0 0 "[ . 1 . 2]" 1
187 1 25 GLU QG 1 45 ALA HA . . 5.500 4.457 2.198 5.513 0.013 11 0 "[ . 1 . 2]" 1
188 1 26 ASP H 1 26 ASP QB . . 3.540 3.066 2.990 3.397 . 0 0 "[ . 1 . 2]" 1
189 1 26 ASP H 1 42 ILE MG . . 4.340 3.950 3.724 4.204 . 0 0 "[ . 1 . 2]" 1
190 1 26 ASP H 1 43 LYS H . . 3.730 3.186 2.998 3.323 . 0 0 "[ . 1 . 2]" 1
191 1 26 ASP H 1 43 LYS HA . . 4.940 5.002 4.951 5.059 0.119 1 0 "[ . 1 . 2]" 1
192 1 26 ASP HA 1 27 ILE H . . 3.040 2.641 2.522 2.746 . 0 0 "[ . 1 . 2]" 1
193 1 26 ASP QB 1 27 ILE H . . 3.480 2.711 2.060 3.001 . 0 0 "[ . 1 . 2]" 1
194 1 26 ASP QB 1 28 LEU QD . . 4.120 3.692 3.369 4.066 . 0 0 "[ . 1 . 2]" 1
195 1 26 ASP HB2 1 27 ILE H . . 3.970 3.646 2.073 3.806 . 0 0 "[ . 1 . 2]" 1
196 1 26 ASP HB3 1 27 ILE H . . 3.970 2.865 2.626 3.541 . 0 0 "[ . 1 . 2]" 1
197 1 27 ILE H 1 27 ILE HB . . 3.070 2.740 2.501 2.817 . 0 0 "[ . 1 . 2]" 1
198 1 27 ILE H 1 27 ILE MD . . 3.510 3.154 2.169 3.650 0.140 11 0 "[ . 1 . 2]" 1
199 1 27 ILE H 1 27 ILE MG . . 3.920 3.857 3.749 3.897 . 0 0 "[ . 1 . 2]" 1
200 1 27 ILE H 1 28 LEU H . . 4.660 4.478 4.389 4.510 . 0 0 "[ . 1 . 2]" 1
201 1 27 ILE H 1 28 LEU HA . . 5.420 4.955 4.822 5.039 . 0 0 "[ . 1 . 2]" 1
202 1 27 ILE HA 1 27 ILE MD . . 4.140 2.459 2.276 3.712 . 0 0 "[ . 1 . 2]" 1
203 1 27 ILE HA 1 28 LEU H . . 3.210 2.237 2.106 2.284 . 0 0 "[ . 1 . 2]" 1
204 1 27 ILE HA 1 29 ALA H . . 4.180 3.965 3.902 4.045 . 0 0 "[ . 1 . 2]" 1
205 1 27 ILE HA 1 42 ILE HA . . 4.250 2.663 2.492 2.836 . 0 0 "[ . 1 . 2]" 1
206 1 27 ILE HA 1 42 ILE MD . . 3.970 3.162 2.847 3.457 . 0 0 "[ . 1 . 2]" 1
207 1 27 ILE HA 1 43 LYS H . . 4.120 3.225 3.031 3.426 . 0 0 "[ . 1 . 2]" 1
208 1 27 ILE HB 1 29 ALA H . . 4.190 4.193 4.059 4.269 0.079 20 0 "[ . 1 . 2]" 1
209 1 27 ILE HB 1 70 TRP H . . 5.500 5.351 4.734 5.573 0.073 7 0 "[ . 1 . 2]" 1
210 1 27 ILE HB 1 70 TRP QB . . 5.290 2.750 2.109 3.079 . 0 0 "[ . 1 . 2]" 1
211 1 27 ILE HB 1 70 TRP HE1 . . 5.370 5.336 5.005 5.457 0.087 7 0 "[ . 1 . 2]" 1
212 1 27 ILE MD 1 27 ILE MG . . 3.270 2.098 1.769 3.182 . 0 0 "[ . 1 . 2]" 1
213 1 27 ILE MD 1 28 LEU H . . 4.410 4.158 3.988 4.573 0.163 11 0 "[ . 1 . 2]" 1
214 1 27 ILE MD 1 40 TYR QB . . 4.600 2.834 2.302 3.995 . 0 0 "[ . 1 . 2]" 1
215 1 27 ILE MD 1 40 TYR QD . . 4.510 3.931 2.844 4.536 0.026 20 0 "[ . 1 . 2]" 1
216 1 27 ILE MD 1 42 ILE MD . . 3.580 2.062 1.894 2.876 . 0 0 "[ . 1 . 2]" 1
217 1 27 ILE MD 1 66 VAL QG . . 4.130 2.385 1.945 2.757 . 0 0 "[ . 1 . 2]" 1
218 1 27 ILE MD 1 67 LEU HA . . 3.730 3.217 2.242 3.743 0.013 9 0 "[ . 1 . 2]" 1
219 1 27 ILE MD 1 67 LEU QB . . 4.470 3.555 2.759 4.282 . 0 0 "[ . 1 . 2]" 1
220 1 27 ILE MD 1 70 TRP H . . 5.500 5.155 3.537 5.516 0.016 8 0 "[ . 1 . 2]" 1
221 1 27 ILE MD 1 70 TRP QB . . 4.040 3.649 1.839 4.047 0.007 16 0 "[ . 1 . 2]" 1
222 1 27 ILE MG 1 28 LEU H . . 3.710 2.349 2.117 2.482 . 0 0 "[ . 1 . 2]" 1
223 1 27 ILE MG 1 29 ALA H . . 3.260 2.075 1.882 2.211 . 0 0 "[ . 1 . 2]" 1
224 1 27 ILE MG 1 40 TYR H . . 5.110 5.097 4.935 5.165 0.055 20 0 "[ . 1 . 2]" 1
225 1 27 ILE MG 1 40 TYR HA . . 4.890 3.666 3.356 3.852 . 0 0 "[ . 1 . 2]" 1
226 1 27 ILE MG 1 40 TYR HB2 . . 4.630 2.983 2.673 3.368 . 0 0 "[ . 1 . 2]" 1
227 1 27 ILE MG 1 40 TYR QB . . 3.960 1.978 1.815 2.140 . 0 0 "[ . 1 . 2]" 1
228 1 27 ILE MG 1 40 TYR HB3 . . 4.630 2.011 1.830 2.196 . 0 0 "[ . 1 . 2]" 1
229 1 27 ILE MG 1 40 TYR QD . . 4.020 2.895 2.241 3.434 . 0 0 "[ . 1 . 2]" 1
230 1 27 ILE MG 1 41 TYR H . . 3.980 3.002 2.663 3.153 . 0 0 "[ . 1 . 2]" 1
231 1 27 ILE MG 1 42 ILE MD . . 4.010 2.466 2.099 2.883 . 0 0 "[ . 1 . 2]" 1
232 1 27 ILE MG 1 54 TRP HE3 . . 5.500 5.544 5.450 5.602 0.102 4 0 "[ . 1 . 2]" 1
233 1 27 ILE MG 1 70 TRP QB . . 4.800 3.336 3.135 3.530 . 0 0 "[ . 1 . 2]" 1
234 1 27 ILE MG 1 70 TRP HE1 . . 4.820 3.805 3.543 3.981 . 0 0 "[ . 1 . 2]" 1
235 1 27 ILE MG 1 70 TRP HH2 . . 5.500 4.668 4.277 5.366 . 0 0 "[ . 1 . 2]" 1
236 1 28 LEU H 1 28 LEU QB . . 3.610 2.486 2.423 2.595 . 0 0 "[ . 1 . 2]" 1
237 1 28 LEU H 1 28 LEU QD . . 4.230 3.367 3.310 3.502 . 0 0 "[ . 1 . 2]" 1
238 1 28 LEU H 1 28 LEU HG . . 3.420 2.828 2.730 3.077 . 0 0 "[ . 1 . 2]" 1
239 1 28 LEU H 1 29 ALA H . . 3.210 2.132 2.101 2.208 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU H 1 41 TYR H . . 4.320 3.959 3.741 4.181 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU H 1 41 TYR QD . . 4.560 4.148 4.009 4.367 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU H 1 43 LYS H . . 5.170 4.130 3.889 4.554 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU HA 1 28 LEU MD1 . . 4.120 3.844 3.807 3.868 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU HA 1 28 LEU QD . . 3.080 2.048 1.987 2.070 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU HA 1 28 LEU MD2 . . 4.120 2.056 1.994 2.079 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU QB 1 29 ALA H . . 4.130 2.919 2.839 3.042 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU QB 1 41 TYR QD . . 4.620 2.199 1.860 3.086 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU HB2 1 41 TYR QD . . 5.340 2.276 1.926 3.189 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU HB3 1 41 TYR QD . . 5.340 2.918 2.398 4.117 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU QD 1 41 TYR QD . . 3.830 2.871 2.364 3.107 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU QD 1 41 TYR QE . . 4.310 2.833 2.650 3.150 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU HG 1 43 LYS H . . 4.410 3.495 3.241 4.201 . 0 0 "[ . 1 . 2]" 1
253 1 29 ALA H 1 29 ALA MB . . 3.410 2.874 2.844 2.895 . 0 0 "[ . 1 . 2]" 1
254 1 29 ALA H 1 41 TYR H . . 3.800 2.920 2.751 3.081 . 0 0 "[ . 1 . 2]" 1
255 1 29 ALA H 1 41 TYR QB . . 3.770 2.203 2.082 2.478 . 0 0 "[ . 1 . 2]" 1
256 1 29 ALA H 1 41 TYR QD . . 4.450 3.926 3.617 4.376 . 0 0 "[ . 1 . 2]" 1
257 1 29 ALA HA 1 30 ASP H . . 3.190 2.620 2.588 2.669 . 0 0 "[ . 1 . 2]" 1
258 1 29 ALA HA 1 30 ASP HA . . 5.420 4.497 4.451 4.532 . 0 0 "[ . 1 . 2]" 1
259 1 29 ALA HA 1 70 TRP HH2 . . 4.590 2.643 2.101 3.098 . 0 0 "[ . 1 . 2]" 1
260 1 29 ALA HA 1 70 TRP HZ2 . . 4.160 2.299 2.027 2.814 . 0 0 "[ . 1 . 2]" 1
261 1 29 ALA MB 1 30 ASP H . . 2.980 2.121 2.065 2.208 . 0 0 "[ . 1 . 2]" 1
262 1 29 ALA MB 1 41 TYR H . . 3.810 3.599 3.385 3.819 0.009 5 0 "[ . 1 . 2]" 1
263 1 29 ALA MB 1 41 TYR HB2 . . 3.910 2.575 2.301 2.821 . 0 0 "[ . 1 . 2]" 1
264 1 29 ALA MB 1 41 TYR HB3 . . 3.910 2.797 2.521 3.254 . 0 0 "[ . 1 . 2]" 1
265 1 29 ALA MB 1 41 TYR QD . . 3.870 2.989 2.559 3.521 . 0 0 "[ . 1 . 2]" 1
266 1 29 ALA MB 1 54 TRP HH2 . . 3.960 2.471 2.178 2.792 . 0 0 "[ . 1 . 2]" 1
267 1 29 ALA MB 1 54 TRP HZ2 . . 4.180 3.830 3.149 4.185 0.005 19 0 "[ . 1 . 2]" 1
268 1 29 ALA MB 1 70 TRP HZ2 . . 4.080 3.677 3.392 3.986 . 0 0 "[ . 1 . 2]" 1
269 1 30 ASP H 1 30 ASP HB3 . . 3.930 3.243 3.083 3.380 . 0 0 "[ . 1 . 2]" 1
270 1 30 ASP H 1 40 TYR HA . . 4.730 4.664 4.523 4.782 0.052 5 0 "[ . 1 . 2]" 1
271 1 30 ASP H 1 40 TYR QD . . 5.200 4.828 4.477 5.072 . 0 0 "[ . 1 . 2]" 1
272 1 30 ASP H 1 70 TRP HE1 . . 4.650 4.182 3.783 4.678 0.028 19 0 "[ . 1 . 2]" 1
273 1 30 ASP H 1 70 TRP HZ2 . . 3.600 3.127 2.810 3.427 . 0 0 "[ . 1 . 2]" 1
274 1 30 ASP HA 1 31 ARG H . . 3.310 2.442 2.356 2.523 . 0 0 "[ . 1 . 2]" 1
275 1 30 ASP HA 1 40 TYR H . . 4.950 4.765 4.575 4.869 . 0 0 "[ . 1 . 2]" 1
276 1 30 ASP HA 1 40 TYR HA . . 4.500 1.952 1.814 2.133 . 0 0 "[ . 1 . 2]" 1
277 1 30 ASP HA 1 40 TYR QD . . 5.140 2.851 2.382 3.206 . 0 0 "[ . 1 . 2]" 1
278 1 30 ASP HA 1 54 TRP HH2 . . 5.130 4.622 4.259 4.994 . 0 0 "[ . 1 . 2]" 1
279 1 30 ASP HA 1 54 TRP HZ3 . . 4.670 2.510 2.185 2.859 . 0 0 "[ . 1 . 2]" 1
280 1 30 ASP HA 1 70 TRP HE1 . . 4.950 4.415 3.955 4.720 . 0 0 "[ . 1 . 2]" 1
281 1 30 ASP HB2 1 31 ARG H . . 3.250 2.293 2.064 2.671 . 0 0 "[ . 1 . 2]" 1
282 1 30 ASP HB2 1 39 GLU H . . 5.240 4.440 4.101 5.267 0.027 9 0 "[ . 1 . 2]" 1
283 1 30 ASP HB2 1 40 TYR QD . . 5.100 2.490 2.108 2.990 . 0 0 "[ . 1 . 2]" 1
284 1 30 ASP HB3 1 40 TYR QD . . 5.180 2.053 1.876 2.384 . 0 0 "[ . 1 . 2]" 1
285 1 30 ASP HB3 1 70 TRP HE1 . . 3.610 2.138 1.722 2.522 . 0 0 "[ . 1 . 2]" 1
286 1 31 ARG H 1 31 ARG QB . . 3.780 2.869 2.729 3.278 . 0 0 "[ . 1 . 2]" 1
287 1 31 ARG H 1 39 GLU H . . 3.670 3.045 2.786 3.202 . 0 0 "[ . 1 . 2]" 1
288 1 31 ARG H 1 39 GLU QB . . 5.330 4.234 3.271 5.091 . 0 0 "[ . 1 . 2]" 1
289 1 31 ARG H 1 39 GLU QG . . 5.340 4.465 2.986 5.427 0.087 18 0 "[ . 1 . 2]" 1
290 1 31 ARG H 1 40 TYR HA . . 4.160 3.295 3.034 3.648 . 0 0 "[ . 1 . 2]" 1
291 1 31 ARG H 1 40 TYR QD . . 3.960 3.904 3.548 4.046 0.086 20 0 "[ . 1 . 2]" 1
292 1 31 ARG H 1 54 TRP HE3 . . 4.320 4.134 3.906 4.350 0.030 20 0 "[ . 1 . 2]" 1
293 1 31 ARG H 1 54 TRP HZ3 . . 3.930 3.463 3.166 3.908 . 0 0 "[ . 1 . 2]" 1
294 1 31 ARG HA 1 32 VAL H . . 3.300 2.463 2.374 2.618 . 0 0 "[ . 1 . 2]" 1
295 1 31 ARG QB 1 32 VAL H . . 3.370 3.057 1.987 3.411 0.041 18 0 "[ . 1 . 2]" 1
296 1 32 VAL H 1 32 VAL HB . . 3.160 2.867 2.740 3.182 0.022 13 0 "[ . 1 . 2]" 1
297 1 32 VAL H 1 33 ASN H . . 4.860 4.251 4.145 4.312 . 0 0 "[ . 1 . 2]" 1
298 1 32 VAL HA 1 32 VAL QG . . 3.040 2.204 2.173 2.280 . 0 0 "[ . 1 . 2]" 1
299 1 32 VAL HA 1 33 ASN H . . 2.710 2.208 2.159 2.259 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL HA 1 38 ASN HA . . 3.850 2.117 1.979 2.270 . 0 0 "[ . 1 . 2]" 1
301 1 32 VAL HA 1 39 GLU H . . 3.790 3.030 2.630 3.332 . 0 0 "[ . 1 . 2]" 1
302 1 32 VAL QG 1 33 ASN H . . 2.930 2.422 2.312 2.535 . 0 0 "[ . 1 . 2]" 1
303 1 32 VAL QG 1 38 ASN H . . 4.320 3.977 3.705 4.307 . 0 0 "[ . 1 . 2]" 1
304 1 32 VAL QG 1 38 ASN HA . . 3.910 2.557 2.190 2.900 . 0 0 "[ . 1 . 2]" 1
305 1 32 VAL QG 1 39 GLU H . . 3.840 3.698 3.397 3.914 0.074 13 0 "[ . 1 . 2]" 1
306 1 33 ASN H 1 33 ASN HB2 . . 3.460 2.455 2.282 2.538 . 0 0 "[ . 1 . 2]" 1
307 1 33 ASN H 1 33 ASN HB3 . . 3.720 3.630 3.496 3.681 . 0 0 "[ . 1 . 2]" 1
308 1 33 ASN H 1 33 ASN HD21 . . 4.180 2.618 2.188 4.322 0.142 15 0 "[ . 1 . 2]" 1
309 1 33 ASN H 1 33 ASN HD22 . . 4.470 3.827 3.526 4.369 . 0 0 "[ . 1 . 2]" 1
310 1 33 ASN H 1 34 LYS H . . 5.270 4.526 4.379 4.565 . 0 0 "[ . 1 . 2]" 1
311 1 33 ASN H 1 36 GLY H . . 4.610 4.070 3.954 4.188 . 0 0 "[ . 1 . 2]" 1
312 1 33 ASN H 1 37 ILE H . . 3.860 3.242 3.086 3.449 . 0 0 "[ . 1 . 2]" 1
313 1 33 ASN H 1 38 ASN HA . . 3.970 3.160 2.731 3.417 . 0 0 "[ . 1 . 2]" 1
314 1 33 ASN HA 1 33 ASN HD21 . . 4.760 3.982 3.750 4.499 . 0 0 "[ . 1 . 2]" 1
315 1 33 ASN HB2 1 33 ASN HD21 . . 3.460 2.243 2.128 2.630 . 0 0 "[ . 1 . 2]" 1
316 1 33 ASN HB2 1 33 ASN HD22 . . 3.700 3.452 3.393 3.635 . 0 0 "[ . 1 . 2]" 1
317 1 33 ASN HB2 1 35 ASN H . . 3.150 2.862 2.701 3.155 0.005 20 0 "[ . 1 . 2]" 1
318 1 33 ASN HB2 1 36 GLY H . . 4.210 2.666 2.500 2.793 . 0 0 "[ . 1 . 2]" 1
319 1 33 ASN HB2 1 37 ILE H . . 4.320 2.091 1.842 2.237 . 0 0 "[ . 1 . 2]" 1
320 1 33 ASN HB3 1 33 ASN HD22 . . 4.040 3.983 3.488 4.058 0.018 11 0 "[ . 1 . 2]" 1
321 1 33 ASN HD21 1 37 ILE H . . 3.840 3.025 2.805 3.720 . 0 0 "[ . 1 . 2]" 1
322 1 33 ASN HD21 1 37 ILE HB . . 3.510 1.943 1.579 2.419 . 0 0 "[ . 1 . 2]" 1
323 1 33 ASN HD21 1 37 ILE MD . . 4.450 3.454 2.369 3.826 . 0 0 "[ . 1 . 2]" 1
324 1 33 ASN HD21 1 37 ILE HG13 . . 4.850 4.741 4.375 4.930 0.080 15 0 "[ . 1 . 2]" 1
325 1 33 ASN HD21 1 37 ILE MG . . 4.060 2.841 2.593 3.680 . 0 0 "[ . 1 . 2]" 1
326 1 33 ASN HD22 1 37 ILE H . . 4.530 4.523 4.334 4.580 0.050 12 0 "[ . 1 . 2]" 1
327 1 33 ASN HD22 1 37 ILE HB . . 3.520 2.710 2.547 2.773 . 0 0 "[ . 1 . 2]" 1
328 1 33 ASN HD22 1 37 ILE MD . . 4.160 4.087 3.644 4.185 0.025 20 0 "[ . 1 . 2]" 1
329 1 33 ASN HD22 1 37 ILE HG13 . . 5.500 5.574 5.320 5.625 0.125 13 0 "[ . 1 . 2]" 1
330 1 33 ASN HD22 1 37 ILE MG . . 3.790 2.989 2.851 3.453 . 0 0 "[ . 1 . 2]" 1
331 1 33 ASN HD22 1 56 PRO HA . . 5.500 5.033 3.334 5.565 0.065 19 0 "[ . 1 . 2]" 1
332 1 33 ASN HD22 1 56 PRO QB . . 4.850 4.311 2.719 4.903 0.053 1 0 "[ . 1 . 2]" 1
333 1 35 ASN H 1 35 ASN QB . . 3.290 2.421 2.149 2.537 . 0 0 "[ . 1 . 2]" 1
334 1 35 ASN H 1 35 ASN QD . . 4.170 3.879 3.417 4.292 0.122 10 0 "[ . 1 . 2]" 1
335 1 35 ASN H 1 36 GLY H . . 3.100 2.586 2.542 2.628 . 0 0 "[ . 1 . 2]" 1
336 1 35 ASN H 1 37 ILE H . . 4.430 3.878 3.761 3.977 . 0 0 "[ . 1 . 2]" 1
337 1 35 ASN H 1 37 ILE MD . . 4.320 3.908 3.668 4.080 . 0 0 "[ . 1 . 2]" 1
338 1 35 ASN HA 1 37 ILE MD . . 4.810 4.039 3.965 4.215 . 0 0 "[ . 1 . 2]" 1
339 1 35 ASN QB 1 36 GLY H . . 4.050 3.075 2.975 3.229 . 0 0 "[ . 1 . 2]" 1
340 1 35 ASN QB 1 37 ILE H . . 4.200 3.296 3.045 3.502 . 0 0 "[ . 1 . 2]" 1
341 1 35 ASN QB 1 37 ILE HG12 . . 4.880 4.387 4.230 4.748 . 0 0 "[ . 1 . 2]" 1
342 1 35 ASN HB2 1 36 GLY H . . 4.710 3.367 3.059 4.157 . 0 0 "[ . 1 . 2]" 1
343 1 35 ASN HB2 1 37 ILE H . . 4.980 3.677 3.107 4.996 0.016 7 0 "[ . 1 . 2]" 1
344 1 35 ASN HB2 1 37 ILE MD . . 4.560 2.356 2.020 3.639 . 0 0 "[ . 1 . 2]" 1
345 1 35 ASN HB3 1 36 GLY H . . 4.710 3.908 3.129 4.143 . 0 0 "[ . 1 . 2]" 1
346 1 35 ASN HB3 1 37 ILE H . . 4.980 4.349 3.387 4.742 . 0 0 "[ . 1 . 2]" 1
347 1 35 ASN HB3 1 37 ILE MD . . 4.560 2.478 1.944 2.671 . 0 0 "[ . 1 . 2]" 1
348 1 35 ASN QD 1 37 ILE MD . . 4.360 3.372 2.828 4.035 . 0 0 "[ . 1 . 2]" 1
349 1 35 ASN HD21 1 37 ILE MD . . 4.960 3.544 2.866 4.265 . 0 0 "[ . 1 . 2]" 1
350 1 35 ASN HD22 1 37 ILE MD . . 4.960 4.470 3.474 4.978 0.018 1 0 "[ . 1 . 2]" 1
351 1 36 GLY H 1 37 ILE H . . 3.050 2.129 2.083 2.158 . 0 0 "[ . 1 . 2]" 1
352 1 36 GLY H 1 37 ILE HB . . 4.610 4.506 4.450 4.619 0.009 6 0 "[ . 1 . 2]" 1
353 1 36 GLY H 1 37 ILE MD . . 3.390 3.190 3.010 3.313 . 0 0 "[ . 1 . 2]" 1
354 1 36 GLY H 1 37 ILE MG . . 5.500 5.549 5.532 5.572 0.072 16 0 "[ . 1 . 2]" 1
355 1 36 GLY QA 1 37 ILE MD . . 3.920 3.237 3.179 3.335 . 0 0 "[ . 1 . 2]" 1
356 1 37 ILE H 1 37 ILE HB . . 3.020 2.609 2.533 2.720 . 0 0 "[ . 1 . 2]" 1
357 1 37 ILE H 1 37 ILE MD . . 3.460 2.308 2.221 2.376 . 0 0 "[ . 1 . 2]" 1
358 1 37 ILE H 1 37 ILE HG13 . . 3.620 3.644 3.589 3.665 0.045 7 0 "[ . 1 . 2]" 1
359 1 37 ILE H 1 37 ILE MG . . 3.860 3.820 3.787 3.862 0.002 16 0 "[ . 1 . 2]" 1
360 1 37 ILE HA 1 37 ILE MD . . 3.720 3.258 3.197 3.315 . 0 0 "[ . 1 . 2]" 1
361 1 37 ILE HA 1 37 ILE HG13 . . 4.200 2.423 2.346 2.516 . 0 0 "[ . 1 . 2]" 1
362 1 37 ILE HA 1 37 ILE MG . . 3.390 2.460 2.366 2.502 . 0 0 "[ . 1 . 2]" 1
363 1 37 ILE HA 1 38 ASN H . . 2.730 2.218 2.167 2.356 . 0 0 "[ . 1 . 2]" 1
364 1 37 ILE HB 1 37 ILE MD . . 3.560 2.299 2.270 2.330 . 0 0 "[ . 1 . 2]" 1
365 1 37 ILE HB 1 38 ASN H . . 4.180 4.095 3.961 4.201 0.021 9 0 "[ . 1 . 2]" 1
366 1 37 ILE MD 1 37 ILE MG . . 3.080 3.136 3.125 3.143 0.063 16 0 "[ . 1 . 2]" 1
367 1 37 ILE HG13 1 37 ILE MG . . 3.360 2.544 2.484 2.588 . 0 0 "[ . 1 . 2]" 1
368 1 37 ILE HG13 1 38 ASN H . . 4.400 4.355 4.253 4.434 0.034 2 0 "[ . 1 . 2]" 1
369 1 37 ILE MG 1 38 ASN H . . 3.020 2.574 2.349 2.722 . 0 0 "[ . 1 . 2]" 1
370 1 37 ILE MG 1 39 GLU HA . . 5.470 4.048 3.850 4.308 . 0 0 "[ . 1 . 2]" 1
371 1 37 ILE MG 1 56 PRO HA . . 4.800 3.130 2.919 3.473 . 0 0 "[ . 1 . 2]" 1
372 1 37 ILE MG 1 56 PRO QB . . 3.800 2.194 2.023 2.694 . 0 0 "[ . 1 . 2]" 1
373 1 37 ILE MG 1 57 GLU H . . 3.930 3.109 2.258 3.717 . 0 0 "[ . 1 . 2]" 1
374 1 37 ILE MG 1 58 GLN H . . 4.560 3.882 2.776 4.472 . 0 0 "[ . 1 . 2]" 1
375 1 38 ASN H 1 38 ASN HB2 . . 3.850 2.863 2.410 3.874 0.024 13 0 "[ . 1 . 2]" 1
376 1 38 ASN H 1 38 ASN QB . . 3.190 2.600 2.377 3.128 . 0 0 "[ . 1 . 2]" 1
377 1 38 ASN H 1 38 ASN HB3 . . 3.850 3.476 2.864 3.706 . 0 0 "[ . 1 . 2]" 1
378 1 38 ASN H 1 38 ASN HD21 . . 4.400 2.899 1.658 4.405 0.005 9 0 "[ . 1 . 2]" 1
379 1 38 ASN H 1 38 ASN QD . . 3.650 2.754 1.653 3.817 0.167 9 0 "[ . 1 . 2]" 1
380 1 38 ASN H 1 38 ASN HD22 . . 4.400 3.885 3.333 4.404 0.004 17 0 "[ . 1 . 2]" 1
381 1 38 ASN HA 1 39 GLU H . . 2.970 2.298 2.212 2.419 . 0 0 "[ . 1 . 2]" 1
382 1 38 ASN QB 1 39 GLU H . . 3.480 2.718 2.362 2.897 . 0 0 "[ . 1 . 2]" 1
383 1 38 ASN QB 1 39 GLU HA . . 5.340 4.116 3.780 4.484 . 0 0 "[ . 1 . 2]" 1
384 1 38 ASN QB 1 40 TYR QE . . 3.830 3.149 2.469 3.912 0.082 13 0 "[ . 1 . 2]" 1
385 1 38 ASN HB2 1 39 GLU H . . 4.160 3.525 2.392 4.001 . 0 0 "[ . 1 . 2]" 1
386 1 38 ASN HB3 1 39 GLU H . . 4.160 3.116 2.434 4.028 . 0 0 "[ . 1 . 2]" 1
387 1 39 GLU H 1 39 GLU QB . . 3.640 2.908 2.614 3.284 . 0 0 "[ . 1 . 2]" 1
388 1 39 GLU H 1 40 TYR H . . 5.040 4.343 4.283 4.395 . 0 0 "[ . 1 . 2]" 1
389 1 39 GLU H 1 40 TYR QE . . 4.860 4.566 4.260 4.900 0.040 19 0 "[ . 1 . 2]" 1
390 1 39 GLU HA 1 40 TYR H . . 3.110 2.321 2.208 2.409 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLU HA 1 40 TYR QD . . 5.210 3.366 2.954 4.058 . 0 0 "[ . 1 . 2]" 1
392 1 39 GLU HA 1 56 PRO QB . . 5.500 4.022 3.808 4.196 . 0 0 "[ . 1 . 2]" 1
393 1 39 GLU QB 1 40 TYR H . . 3.650 2.668 2.214 3.412 . 0 0 "[ . 1 . 2]" 1
394 1 39 GLU QB 1 55 GLU H . . 4.320 3.479 2.827 4.465 0.145 10 0 "[ . 1 . 2]" 1
395 1 39 GLU QB 1 56 PRO HA . . 4.480 2.968 1.950 4.138 . 0 0 "[ . 1 . 2]" 1
396 1 39 GLU QG 1 56 PRO HA . . 4.280 3.366 1.974 4.329 0.049 9 0 "[ . 1 . 2]" 1
397 1 40 TYR H 1 40 TYR HB2 . . 4.030 2.828 2.694 2.962 . 0 0 "[ . 1 . 2]" 1
398 1 40 TYR H 1 40 TYR QB . . 3.380 2.760 2.642 2.880 . 0 0 "[ . 1 . 2]" 1
399 1 40 TYR H 1 40 TYR HB3 . . 4.030 3.857 3.805 3.925 . 0 0 "[ . 1 . 2]" 1
400 1 40 TYR H 1 40 TYR QD . . 3.420 2.874 2.676 3.245 . 0 0 "[ . 1 . 2]" 1
401 1 40 TYR H 1 41 TYR H . . 5.020 4.354 4.306 4.393 . 0 0 "[ . 1 . 2]" 1
402 1 40 TYR H 1 42 ILE H . . 5.500 5.231 5.124 5.390 . 0 0 "[ . 1 . 2]" 1
403 1 40 TYR H 1 42 ILE MD . . 4.620 3.779 3.484 4.131 . 0 0 "[ . 1 . 2]" 1
404 1 40 TYR H 1 42 ILE QG . . 4.210 3.873 3.728 4.010 . 0 0 "[ . 1 . 2]" 1
405 1 40 TYR H 1 55 GLU H . . 3.790 2.499 2.367 2.746 . 0 0 "[ . 1 . 2]" 1
406 1 40 TYR H 1 57 GLU H . . 5.500 5.070 4.822 5.517 0.017 2 0 "[ . 1 . 2]" 1
407 1 40 TYR H 1 57 GLU HA . . 5.500 5.371 5.230 5.547 0.047 12 0 "[ . 1 . 2]" 1
408 1 40 TYR HA 1 40 TYR QD . . 4.580 2.889 2.685 3.063 . 0 0 "[ . 1 . 2]" 1
409 1 40 TYR HA 1 41 TYR H . . 3.490 2.209 2.163 2.245 . 0 0 "[ . 1 . 2]" 1
410 1 40 TYR HA 1 54 TRP HZ3 . . 5.500 3.232 2.972 3.530 . 0 0 "[ . 1 . 2]" 1
411 1 40 TYR QB 1 41 TYR H . . 4.140 2.690 2.595 2.776 . 0 0 "[ . 1 . 2]" 1
412 1 40 TYR QB 1 42 ILE MD . . 3.790 1.914 1.829 2.092 . 0 0 "[ . 1 . 2]" 1
413 1 40 TYR HB2 1 42 ILE MD . . 4.460 1.947 1.851 2.132 . 0 0 "[ . 1 . 2]" 1
414 1 40 TYR HB3 1 42 ILE MD . . 4.460 2.854 2.438 3.091 . 0 0 "[ . 1 . 2]" 1
415 1 40 TYR QD 1 41 TYR H . . 4.780 4.113 3.909 4.304 . 0 0 "[ . 1 . 2]" 1
416 1 40 TYR QD 1 42 ILE MD . . 4.420 2.985 2.230 3.339 . 0 0 "[ . 1 . 2]" 1
417 1 40 TYR QD 1 55 GLU H . . 4.580 4.616 4.522 4.719 0.139 9 0 "[ . 1 . 2]" 1
418 1 40 TYR QD 1 56 PRO HA . . 5.500 4.420 4.227 5.016 . 0 0 "[ . 1 . 2]" 1
419 1 40 TYR QD 1 60 LEU QD . . 3.480 2.325 1.913 2.870 . 0 0 "[ . 1 . 2]" 1
420 1 40 TYR QD 1 70 TRP HE1 . . 3.740 3.418 2.429 3.774 0.034 4 0 "[ . 1 . 2]" 1
421 1 40 TYR QE 1 57 GLU H . . 3.910 3.490 3.017 3.813 . 0 0 "[ . 1 . 2]" 1
422 1 40 TYR QE 1 57 GLU HA . . 3.740 2.288 2.002 2.964 . 0 0 "[ . 1 . 2]" 1
423 1 40 TYR QE 1 57 GLU QB . . 3.590 2.133 1.816 3.350 . 0 0 "[ . 1 . 2]" 1
424 1 40 TYR QE 1 57 GLU QG . . 4.220 2.977 2.113 4.276 0.056 18 0 "[ . 1 . 2]" 1
425 1 40 TYR QE 1 58 GLN H . . 5.500 5.178 4.831 5.428 . 0 0 "[ . 1 . 2]" 1
426 1 40 TYR QE 1 60 LEU QD . . 4.040 3.056 2.497 3.945 . 0 0 "[ . 1 . 2]" 1
427 1 40 TYR QE 1 67 LEU MD1 . . 4.400 2.735 2.236 3.437 . 0 0 "[ . 1 . 2]" 1
428 1 40 TYR QE 1 67 LEU QD . . 3.660 2.547 2.128 3.313 . 0 0 "[ . 1 . 2]" 1
429 1 40 TYR QE 1 67 LEU MD2 . . 4.400 3.354 2.219 4.422 0.022 9 0 "[ . 1 . 2]" 1
430 1 41 TYR H 1 41 TYR HB2 . . 3.570 2.425 2.362 2.506 . 0 0 "[ . 1 . 2]" 1
431 1 41 TYR H 1 41 TYR HB3 . . 3.570 2.648 2.581 2.733 . 0 0 "[ . 1 . 2]" 1
432 1 41 TYR H 1 42 ILE H . . 4.540 4.231 4.168 4.282 . 0 0 "[ . 1 . 2]" 1
433 1 41 TYR H 1 54 TRP HE3 . . 4.220 3.231 3.030 3.589 . 0 0 "[ . 1 . 2]" 1
434 1 41 TYR H 1 54 TRP HZ3 . . 4.480 3.236 3.091 3.742 . 0 0 "[ . 1 . 2]" 1
435 1 41 TYR HA 1 41 TYR QD . . 4.250 2.135 1.945 2.510 . 0 0 "[ . 1 . 2]" 1
436 1 41 TYR HA 1 42 ILE H . . 3.130 2.180 2.120 2.211 . 0 0 "[ . 1 . 2]" 1
437 1 41 TYR HA 1 54 TRP HA . . 4.290 2.260 2.095 2.437 . 0 0 "[ . 1 . 2]" 1
438 1 41 TYR HA 1 54 TRP HE1 . . 5.460 5.359 4.882 5.493 0.033 13 0 "[ . 1 . 2]" 1
439 1 41 TYR HA 1 55 GLU H . . 4.170 3.924 3.783 4.148 . 0 0 "[ . 1 . 2]" 1
440 1 41 TYR QB 1 42 ILE H . . 4.360 3.941 3.901 3.972 . 0 0 "[ . 1 . 2]" 1
441 1 41 TYR QD 1 42 ILE H . . 3.670 3.222 2.488 3.690 0.020 3 0 "[ . 1 . 2]" 1
442 1 41 TYR QD 1 54 TRP H . . 4.660 3.806 3.285 4.688 0.028 14 0 "[ . 1 . 2]" 1
443 1 41 TYR QD 1 54 TRP HA . . 4.550 3.349 3.013 4.135 . 0 0 "[ . 1 . 2]" 1
444 1 41 TYR QD 1 54 TRP HE1 . . 4.060 3.801 3.087 4.069 0.009 14 0 "[ . 1 . 2]" 1
445 1 41 TYR QE 1 42 ILE H . . 5.220 4.977 4.481 5.201 . 0 0 "[ . 1 . 2]" 1
446 1 41 TYR QE 1 52 ASN QB . . 3.920 3.176 1.984 3.925 0.005 10 0 "[ . 1 . 2]" 1
447 1 41 TYR QE 1 53 THR H . . 4.580 3.850 3.107 4.397 . 0 0 "[ . 1 . 2]" 1
448 1 41 TYR QE 1 54 TRP H . . 4.860 4.319 3.667 4.905 0.045 11 0 "[ . 1 . 2]" 1
449 1 41 TYR QE 1 54 TRP HE1 . . 3.920 3.705 3.262 3.931 0.011 20 0 "[ . 1 . 2]" 1
450 1 42 ILE H 1 42 ILE HB . . 3.080 2.623 2.545 2.702 . 0 0 "[ . 1 . 2]" 1
451 1 42 ILE H 1 42 ILE MD . . 3.930 3.286 3.155 3.433 . 0 0 "[ . 1 . 2]" 1
452 1 42 ILE H 1 42 ILE QG . . 3.740 2.319 2.234 2.430 . 0 0 "[ . 1 . 2]" 1
453 1 42 ILE H 1 42 ILE MG . . 3.940 3.825 3.781 3.846 . 0 0 "[ . 1 . 2]" 1
454 1 42 ILE H 1 43 LYS H . . 4.790 4.475 4.387 4.516 . 0 0 "[ . 1 . 2]" 1
455 1 42 ILE H 1 52 ASN QB . . 5.070 4.389 4.185 4.667 . 0 0 "[ . 1 . 2]" 1
456 1 42 ILE H 1 53 THR H . . 4.090 3.228 3.030 3.587 . 0 0 "[ . 1 . 2]" 1
457 1 42 ILE H 1 53 THR HA . . 5.210 4.661 4.471 4.852 . 0 0 "[ . 1 . 2]" 1
458 1 42 ILE H 1 54 TRP HA . . 4.070 2.969 2.655 3.219 . 0 0 "[ . 1 . 2]" 1
459 1 42 ILE H 1 55 GLU H . . 4.490 3.796 3.597 4.060 . 0 0 "[ . 1 . 2]" 1
460 1 42 ILE HA 1 42 ILE MD . . 3.580 2.220 2.100 2.314 . 0 0 "[ . 1 . 2]" 1
461 1 42 ILE HA 1 42 ILE MG . . 3.720 2.336 2.292 2.404 . 0 0 "[ . 1 . 2]" 1
462 1 42 ILE HA 1 43 LYS H . . 3.020 2.193 2.146 2.232 . 0 0 "[ . 1 . 2]" 1
463 1 42 ILE HB 1 44 TRP HZ2 . . 5.500 3.225 3.001 3.559 . 0 0 "[ . 1 . 2]" 1
464 1 42 ILE MD 1 42 ILE MG . . 3.260 1.979 1.915 2.016 . 0 0 "[ . 1 . 2]" 1
465 1 42 ILE MD 1 43 LYS H . . 4.010 3.937 3.714 4.035 0.025 18 0 "[ . 1 . 2]" 1
466 1 42 ILE MD 1 44 TRP HZ2 . . 4.940 4.623 4.221 4.962 0.022 20 0 "[ . 1 . 2]" 1
467 1 42 ILE MD 1 55 GLU H . . 4.470 3.906 3.535 4.218 . 0 0 "[ . 1 . 2]" 1
468 1 42 ILE MD 1 60 LEU MD1 . . 3.780 2.028 1.843 2.296 . 0 0 "[ . 1 . 2]" 1
469 1 42 ILE MD 1 60 LEU QD . . 3.200 1.851 1.725 2.033 . 0 0 "[ . 1 . 2]" 1
470 1 42 ILE MD 1 60 LEU MD2 . . 3.780 2.210 1.782 2.721 . 0 0 "[ . 1 . 2]" 1
471 1 42 ILE QG 1 44 TRP HE1 . . 5.340 4.092 3.744 4.632 . 0 0 "[ . 1 . 2]" 1
472 1 42 ILE QG 1 44 TRP HZ2 . . 4.130 3.007 2.571 3.414 . 0 0 "[ . 1 . 2]" 1
473 1 42 ILE HG12 1 55 GLU H . . 4.230 2.879 2.569 3.132 . 0 0 "[ . 1 . 2]" 1
474 1 42 ILE HG13 1 55 GLU H . . 4.230 3.995 3.662 4.240 0.010 20 0 "[ . 1 . 2]" 1
475 1 42 ILE MG 1 43 LYS H . . 3.350 2.638 2.541 2.780 . 0 0 "[ . 1 . 2]" 1
476 1 42 ILE MG 1 44 TRP H . . 4.510 3.546 3.340 3.717 . 0 0 "[ . 1 . 2]" 1
477 1 42 ILE MG 1 44 TRP HE1 . . 4.690 3.927 3.718 4.207 . 0 0 "[ . 1 . 2]" 1
478 1 42 ILE MG 1 44 TRP HE3 . . 4.510 3.556 3.292 3.755 . 0 0 "[ . 1 . 2]" 1
479 1 42 ILE MG 1 44 TRP HH2 . . 5.040 3.391 3.061 3.703 . 0 0 "[ . 1 . 2]" 1
480 1 42 ILE MG 1 44 TRP HZ3 . . 5.290 3.536 3.129 3.839 . 0 0 "[ . 1 . 2]" 1
481 1 42 ILE MG 1 53 THR H . . 5.220 4.706 4.488 4.859 . 0 0 "[ . 1 . 2]" 1
482 1 42 ILE MG 1 60 LEU QD . . 4.810 3.139 2.565 3.691 . 0 0 "[ . 1 . 2]" 1
483 1 43 LYS H 1 43 LYS QB . . 3.320 2.442 2.169 2.592 . 0 0 "[ . 1 . 2]" 1
484 1 43 LYS H 1 44 TRP H . . 4.270 4.162 4.116 4.215 . 0 0 "[ . 1 . 2]" 1
485 1 43 LYS HA 1 44 TRP H . . 3.200 2.082 1.961 2.184 . 0 0 "[ . 1 . 2]" 1
486 1 43 LYS HA 1 44 TRP HE1 . . 5.500 5.418 4.939 5.563 0.063 7 0 "[ . 1 . 2]" 1
487 1 43 LYS HA 1 53 THR H . . 4.460 4.101 3.814 4.538 0.078 17 0 "[ . 1 . 2]" 1
488 1 43 LYS QB 1 44 TRP H . . 4.410 3.892 3.526 3.993 . 0 0 "[ . 1 . 2]" 1
489 1 44 TRP H 1 44 TRP HB2 . . 3.830 2.526 2.438 2.636 . 0 0 "[ . 1 . 2]" 1
490 1 44 TRP H 1 44 TRP HB3 . . 3.650 3.569 3.539 3.626 . 0 0 "[ . 1 . 2]" 1
491 1 44 TRP H 1 45 ALA H . . 4.750 4.397 4.345 4.441 . 0 0 "[ . 1 . 2]" 1
492 1 44 TRP H 1 52 ASN H . . 4.700 4.418 4.214 4.791 0.091 13 0 "[ . 1 . 2]" 1
493 1 44 TRP HA 1 44 TRP HE3 . . 4.750 2.762 2.485 2.944 . 0 0 "[ . 1 . 2]" 1
494 1 44 TRP HA 1 45 ALA H . . 3.080 2.066 2.034 2.100 . 0 0 "[ . 1 . 2]" 1
495 1 44 TRP HB2 1 45 ALA H . . 4.340 4.113 4.020 4.181 . 0 0 "[ . 1 . 2]" 1
496 1 44 TRP HB2 1 52 ASN H . . 5.500 5.144 4.460 5.505 0.005 13 0 "[ . 1 . 2]" 1
497 1 44 TRP HB3 1 45 ALA H . . 4.290 3.271 3.176 3.386 . 0 0 "[ . 1 . 2]" 1
498 1 44 TRP HE1 1 52 ASN HA . . 4.210 3.952 3.527 4.226 0.016 13 0 "[ . 1 . 2]" 1
499 1 44 TRP HE1 1 53 THR H . . 3.240 3.047 2.690 3.268 0.028 2 0 "[ . 1 . 2]" 1
500 1 44 TRP HE1 1 53 THR HB . . 4.770 4.338 2.339 4.835 0.065 2 0 "[ . 1 . 2]" 1
501 1 44 TRP HE1 1 53 THR MG . . 3.080 2.130 1.682 3.086 0.006 4 0 "[ . 1 . 2]" 1
502 1 44 TRP HE1 1 54 TRP H . . 5.500 5.411 5.099 5.535 0.035 18 0 "[ . 1 . 2]" 1
503 1 44 TRP HE3 1 45 ALA H . . 4.270 3.780 3.490 4.231 . 0 0 "[ . 1 . 2]" 1
504 1 44 TRP HH2 2 7 ALA MB . . 4.030 2.170 2.009 2.704 . 0 0 "[ . 1 . 2]" 1
505 1 44 TRP HZ3 2 7 ALA MB . . 3.790 2.080 1.843 2.446 . 0 0 "[ . 1 . 2]" 1
506 1 45 ALA H 1 45 ALA MB . . 2.940 2.288 2.183 2.353 . 0 0 "[ . 1 . 2]" 1
507 1 45 ALA H 1 46 GLY H . . 4.880 4.524 4.492 4.552 . 0 0 "[ . 1 . 2]" 1
508 1 45 ALA HA 1 46 GLY H . . 3.340 2.360 2.336 2.404 . 0 0 "[ . 1 . 2]" 1
509 1 45 ALA HA 1 47 TYR H . . 3.890 3.202 2.991 3.344 . 0 0 "[ . 1 . 2]" 1
510 1 45 ALA MB 1 46 GLY H . . 3.700 2.548 2.425 2.641 . 0 0 "[ . 1 . 2]" 1
511 1 45 ALA MB 1 47 TYR H . . 4.430 4.201 4.084 4.303 . 0 0 "[ . 1 . 2]" 1
512 1 46 GLY H 1 47 TYR H . . 3.540 2.783 2.718 2.848 . 0 0 "[ . 1 . 2]" 1
513 1 47 TYR H 1 47 TYR HB2 . . 3.700 2.610 2.509 2.680 . 0 0 "[ . 1 . 2]" 1
514 1 47 TYR H 1 47 TYR QB . . 3.170 2.469 2.408 2.509 . 0 0 "[ . 1 . 2]" 1
515 1 47 TYR H 1 47 TYR HB3 . . 3.700 3.051 2.911 3.169 . 0 0 "[ . 1 . 2]" 1
516 1 47 TYR H 1 48 ASP H . . 4.650 4.279 4.257 4.305 . 0 0 "[ . 1 . 2]" 1
517 1 47 TYR HA 1 47 TYR QD . . 4.040 1.930 1.853 2.178 . 0 0 "[ . 1 . 2]" 1
518 1 47 TYR HA 1 47 TYR QE . . 4.410 4.080 3.990 4.261 . 0 0 "[ . 1 . 2]" 1
519 1 47 TYR HA 1 48 ASP H . . 2.880 2.378 2.282 2.431 . 0 0 "[ . 1 . 2]" 1
520 1 47 TYR QB 1 48 ASP H . . 3.280 2.448 2.432 2.507 . 0 0 "[ . 1 . 2]" 1
521 1 47 TYR HB2 1 48 ASP H . . 3.830 3.535 3.516 3.565 . 0 0 "[ . 1 . 2]" 1
522 1 47 TYR HB3 1 48 ASP H . . 3.830 2.496 2.478 2.566 . 0 0 "[ . 1 . 2]" 1
523 1 47 TYR QD 1 48 ASP H . . 3.780 2.721 2.644 2.783 . 0 0 "[ . 1 . 2]" 1
524 1 47 TYR QE 1 48 ASP H . . 4.510 3.890 3.712 3.989 . 0 0 "[ . 1 . 2]" 1
525 1 47 TYR QE 1 48 ASP QB . . 5.340 3.828 3.207 4.100 . 0 0 "[ . 1 . 2]" 1
526 1 48 ASP H 1 48 ASP QB . . 3.440 2.387 2.313 2.548 . 0 0 "[ . 1 . 2]" 1
527 1 48 ASP H 1 49 TRP H . . 4.650 4.630 4.582 4.654 0.004 1 0 "[ . 1 . 2]" 1
528 1 48 ASP HA 1 49 TRP H . . 3.280 2.220 2.171 2.270 . 0 0 "[ . 1 . 2]" 1
529 1 48 ASP HA 1 50 TYR H . . 4.100 4.061 3.739 4.139 0.039 8 0 "[ . 1 . 2]" 1
530 1 48 ASP HA 1 51 ASP H . . 5.130 5.137 4.855 5.255 0.125 17 0 "[ . 1 . 2]" 1
531 1 48 ASP QB 1 49 TRP H . . 3.890 3.307 2.677 3.452 . 0 0 "[ . 1 . 2]" 1
532 1 48 ASP QB 1 49 TRP HD1 . . 4.880 4.839 3.998 4.934 0.054 12 0 "[ . 1 . 2]" 1
533 1 48 ASP QB 1 51 ASP H . . 5.340 3.842 3.450 4.047 . 0 0 "[ . 1 . 2]" 1
534 1 49 TRP H 1 49 TRP QB . . 3.260 2.482 2.416 2.572 . 0 0 "[ . 1 . 2]" 1
535 1 49 TRP H 1 49 TRP HD1 . . 3.580 2.334 2.179 2.791 . 0 0 "[ . 1 . 2]" 1
536 1 49 TRP H 1 49 TRP HE1 . . 4.670 4.383 4.262 4.496 . 0 0 "[ . 1 . 2]" 1
537 1 49 TRP H 1 50 TYR H . . 3.840 2.690 2.667 2.728 . 0 0 "[ . 1 . 2]" 1
538 1 49 TRP HA 1 49 TRP HE3 . . 4.220 3.269 2.587 4.272 0.052 10 0 "[ . 1 . 2]" 1
539 1 49 TRP HA 1 51 ASP H . . 3.980 3.606 3.344 3.718 . 0 0 "[ . 1 . 2]" 1
540 1 49 TRP HA 1 52 ASN H . . 5.500 4.942 4.453 5.115 . 0 0 "[ . 1 . 2]" 1
541 1 49 TRP QB 1 49 TRP HE1 . . 4.680 4.437 4.406 4.463 . 0 0 "[ . 1 . 2]" 1
542 1 49 TRP QB 1 49 TRP HE3 . . 3.720 2.555 2.429 2.785 . 0 0 "[ . 1 . 2]" 1
543 1 49 TRP QB 1 50 TYR H . . 5.500 3.163 2.972 3.704 . 0 0 "[ . 1 . 2]" 1
544 1 50 TYR H 1 51 ASP H . . 3.230 2.696 2.497 2.793 . 0 0 "[ . 1 . 2]" 1
545 1 50 TYR HA 1 50 TYR QD . . 4.430 2.967 2.567 3.778 . 0 0 "[ . 1 . 2]" 1
546 1 50 TYR HA 1 52 ASN H . . 5.500 3.634 3.442 3.815 . 0 0 "[ . 1 . 2]" 1
547 1 51 ASP H 1 51 ASP QB . . 3.120 2.423 2.270 2.465 . 0 0 "[ . 1 . 2]" 1
548 1 51 ASP H 1 52 ASN H . . 3.020 2.299 2.160 2.438 . 0 0 "[ . 1 . 2]" 1
549 1 52 ASN HA 1 53 THR H . . 3.280 2.174 2.083 2.265 . 0 0 "[ . 1 . 2]" 1
550 1 52 ASN QB 1 53 THR H . . 3.410 2.910 2.790 3.026 . 0 0 "[ . 1 . 2]" 1
551 1 52 ASN HB2 1 53 THR H . . 4.230 3.182 2.866 4.132 . 0 0 "[ . 1 . 2]" 1
552 1 52 ASN HB3 1 53 THR H . . 4.230 3.779 3.034 4.077 . 0 0 "[ . 1 . 2]" 1
553 1 53 THR H 1 53 THR MG . . 3.280 2.600 2.368 3.455 0.175 15 0 "[ . 1 . 2]" 1
554 1 53 THR H 1 54 TRP H . . 4.570 4.293 4.245 4.357 . 0 0 "[ . 1 . 2]" 1
555 1 53 THR HA 1 53 THR MG . . 3.310 3.141 2.437 3.264 . 0 0 "[ . 1 . 2]" 1
556 1 53 THR HA 1 54 TRP H . . 3.080 2.517 2.412 2.612 . 0 0 "[ . 1 . 2]" 1
557 1 53 THR HA 1 54 TRP HE1 . . 5.170 4.854 4.579 5.182 0.012 4 0 "[ . 1 . 2]" 1
558 1 53 THR HB 1 54 TRP H . . 3.720 3.494 2.235 3.844 0.124 15 0 "[ . 1 . 2]" 1
559 1 53 THR MG 1 54 TRP H . . 3.520 3.158 2.085 3.595 0.075 5 0 "[ . 1 . 2]" 1
560 1 54 TRP H 1 54 TRP HB2 . . 3.880 2.536 2.483 2.604 . 0 0 "[ . 1 . 2]" 1
561 1 54 TRP H 1 54 TRP QB . . 3.180 2.491 2.443 2.555 . 0 0 "[ . 1 . 2]" 1
562 1 54 TRP H 1 54 TRP HB3 . . 3.880 3.657 3.631 3.708 . 0 0 "[ . 1 . 2]" 1
563 1 54 TRP H 1 54 TRP HD1 . . 3.850 2.472 2.288 2.600 . 0 0 "[ . 1 . 2]" 1
564 1 54 TRP H 1 54 TRP HE1 . . 4.680 4.700 4.581 4.768 0.088 15 0 "[ . 1 . 2]" 1
565 1 54 TRP H 1 55 GLU H . . 4.540 4.478 4.425 4.548 0.008 8 0 "[ . 1 . 2]" 1
566 1 54 TRP HA 1 54 TRP HE3 . . 5.190 3.371 3.254 3.686 . 0 0 "[ . 1 . 2]" 1
567 1 54 TRP HA 1 55 GLU H . . 3.100 2.198 2.149 2.271 . 0 0 "[ . 1 . 2]" 1
568 1 54 TRP QB 1 54 TRP HE1 . . 4.520 4.430 4.388 4.457 . 0 0 "[ . 1 . 2]" 1
569 1 54 TRP QB 1 55 GLU H . . 3.810 3.074 2.870 3.228 . 0 0 "[ . 1 . 2]" 1
570 1 54 TRP HB2 1 55 GLU H . . 4.480 4.065 3.948 4.151 . 0 0 "[ . 1 . 2]" 1
571 1 54 TRP HB3 1 55 GLU H . . 4.480 3.183 2.947 3.376 . 0 0 "[ . 1 . 2]" 1
572 1 54 TRP HE3 1 55 GLU H . . 4.560 4.236 3.864 4.579 0.019 8 0 "[ . 1 . 2]" 1
573 1 56 PRO HA 1 57 GLU H . . 3.110 2.293 2.208 2.422 . 0 0 "[ . 1 . 2]" 1
574 1 56 PRO HA 1 58 GLN H . . 4.540 4.092 3.789 4.287 . 0 0 "[ . 1 . 2]" 1
575 1 56 PRO HA 1 58 GLN QG . . 5.330 5.060 4.454 5.456 0.126 1 0 "[ . 1 . 2]" 1
576 1 56 PRO HA 1 60 LEU QD . . 5.440 4.323 4.071 4.875 . 0 0 "[ . 1 . 2]" 1
577 1 56 PRO QB 1 58 GLN H . . 3.350 2.431 2.282 2.612 . 0 0 "[ . 1 . 2]" 1
578 1 56 PRO QB 1 59 ASN H . . 3.980 3.690 3.251 3.990 0.010 17 0 "[ . 1 . 2]" 1
579 1 56 PRO QB 1 59 ASN HD22 . . 5.030 4.882 4.399 5.090 0.060 11 0 "[ . 1 . 2]" 1
580 1 56 PRO QG 1 57 GLU H . . 4.590 4.322 4.109 4.591 0.001 15 0 "[ . 1 . 2]" 1
581 1 56 PRO QG 1 59 ASN H . . 4.670 3.462 2.703 4.686 0.016 3 0 "[ . 1 . 2]" 1
582 1 56 PRO QG 1 59 ASN HD21 . . 4.660 2.980 2.081 4.285 . 0 0 "[ . 1 . 2]" 1
583 1 56 PRO QG 1 59 ASN HD22 . . 4.480 3.279 2.693 4.407 . 0 0 "[ . 1 . 2]" 1
584 1 57 GLU H 1 57 GLU QB . . 3.300 2.305 2.146 2.741 . 0 0 "[ . 1 . 2]" 1
585 1 57 GLU H 1 58 GLN H . . 4.100 2.664 2.413 2.804 . 0 0 "[ . 1 . 2]" 1
586 1 57 GLU HA 1 60 LEU H . . 4.180 3.445 3.125 3.766 . 0 0 "[ . 1 . 2]" 1
587 1 57 GLU HA 1 60 LEU QD . . 4.270 2.181 1.884 2.630 . 0 0 "[ . 1 . 2]" 1
588 1 57 GLU QB 1 60 LEU QD . . 5.280 3.793 3.405 4.190 . 0 0 "[ . 1 . 2]" 1
589 1 57 GLU QB 1 67 LEU QD . . 5.280 3.362 2.569 4.353 . 0 0 "[ . 1 . 2]" 1
590 1 57 GLU QG 1 60 LEU QD . . 4.850 3.774 2.377 4.806 . 0 0 "[ . 1 . 2]" 1
591 1 57 GLU QG 1 67 LEU QD . . 4.850 2.763 1.888 4.742 . 0 0 "[ . 1 . 2]" 1
592 1 58 GLN H 1 58 GLN QB . . 2.950 2.523 2.385 2.679 . 0 0 "[ . 1 . 2]" 1
593 1 58 GLN H 1 58 GLN QE . . 4.690 4.119 2.676 4.735 0.045 14 0 "[ . 1 . 2]" 1
594 1 58 GLN H 1 58 GLN QG . . 3.830 2.104 1.850 3.152 . 0 0 "[ . 1 . 2]" 1
595 1 58 GLN H 1 59 ASN H . . 3.770 2.743 2.623 2.830 . 0 0 "[ . 1 . 2]" 1
596 1 58 GLN HA 1 58 GLN HG2 . . 4.110 2.958 2.521 3.820 . 0 0 "[ . 1 . 2]" 1
597 1 58 GLN HA 1 58 GLN HG3 . . 4.110 3.378 2.757 3.823 . 0 0 "[ . 1 . 2]" 1
598 1 58 GLN HA 1 59 ASN HD21 . . 4.730 4.598 4.254 4.867 0.137 19 0 "[ . 1 . 2]" 1
599 1 58 GLN QB 1 58 GLN QE . . 4.020 2.620 1.782 3.736 . 0 0 "[ . 1 . 2]" 1
600 1 58 GLN QB 1 59 ASN H . . 3.650 2.913 2.714 3.622 . 0 0 "[ . 1 . 2]" 1
601 1 58 GLN QB 1 59 ASN QB . . 5.340 4.345 4.062 4.978 . 0 0 "[ . 1 . 2]" 1
602 1 58 GLN QB 1 59 ASN HD22 . . 4.230 3.656 3.257 4.055 . 0 0 "[ . 1 . 2]" 1
603 1 58 GLN QB 1 60 LEU H . . 4.950 4.567 4.419 4.817 . 0 0 "[ . 1 . 2]" 1
604 1 58 GLN QE 1 58 GLN QG . . 3.000 2.397 2.137 2.715 . 0 0 "[ . 1 . 2]" 1
605 1 59 ASN H 1 59 ASN HB2 . . 3.750 2.345 2.137 2.454 . 0 0 "[ . 1 . 2]" 1
606 1 59 ASN H 1 59 ASN QB . . 3.290 2.316 2.118 2.419 . 0 0 "[ . 1 . 2]" 1
607 1 59 ASN H 1 59 ASN HB3 . . 3.750 3.588 3.442 3.667 . 0 0 "[ . 1 . 2]" 1
608 1 59 ASN H 1 59 ASN HD21 . . 4.600 2.500 2.090 3.253 . 0 0 "[ . 1 . 2]" 1
609 1 59 ASN H 1 59 ASN HD22 . . 4.730 4.061 3.752 4.219 . 0 0 "[ . 1 . 2]" 1
610 1 59 ASN H 1 60 LEU H . . 3.160 2.420 2.293 2.537 . 0 0 "[ . 1 . 2]" 1
611 1 59 ASN H 2 8 ARG QG . . 5.040 5.003 4.414 5.171 0.131 4 0 "[ . 1 . 2]" 1
612 1 59 ASN HA 1 59 ASN HD22 . . 5.030 3.720 3.510 4.062 . 0 0 "[ . 1 . 2]" 1
613 1 59 ASN QB 1 60 LEU H . . 3.900 3.313 3.194 3.452 . 0 0 "[ . 1 . 2]" 1
614 1 59 ASN QB 1 60 LEU QD . . 5.210 2.675 2.200 3.603 . 0 0 "[ . 1 . 2]" 1
615 1 59 ASN QB 2 8 ARG QG . . 4.050 2.966 2.150 3.723 . 0 0 "[ . 1 . 2]" 1
616 1 59 ASN HB2 1 60 LEU H . . 4.750 3.510 3.348 3.681 . 0 0 "[ . 1 . 2]" 1
617 1 59 ASN HB2 2 8 ARG QG . . 4.660 4.314 3.558 4.698 0.038 18 0 "[ . 1 . 2]" 1
618 1 59 ASN HB3 1 60 LEU H . . 4.750 4.073 3.881 4.223 . 0 0 "[ . 1 . 2]" 1
619 1 59 ASN HB3 2 8 ARG QG . . 4.660 3.029 2.168 3.906 . 0 0 "[ . 1 . 2]" 1
620 1 59 ASN HD21 2 8 ARG QB . . 4.730 4.080 3.284 4.580 . 0 0 "[ . 1 . 2]" 1
621 1 59 ASN HD21 2 8 ARG QD . . 4.790 3.652 2.114 4.778 . 0 0 "[ . 1 . 2]" 1
622 1 59 ASN HD21 2 8 ARG QG . . 4.250 4.192 3.342 4.405 0.155 13 0 "[ . 1 . 2]" 1
623 1 59 ASN HD21 2 10 SER QB . . 4.260 4.179 3.363 4.615 0.355 18 0 "[ . 1 . 2]" 1
624 1 59 ASN HD22 2 8 ARG QB . . 4.160 3.768 3.145 4.235 0.075 7 0 "[ . 1 . 2]" 1
625 1 59 ASN HD22 2 8 ARG QD . . 4.000 3.346 2.663 4.080 0.080 7 0 "[ . 1 . 2]" 1
626 1 59 ASN HD22 2 8 ARG QG . . 4.520 4.436 4.062 4.605 0.085 18 0 "[ . 1 . 2]" 1
627 1 59 ASN HD22 2 10 SER HA . . 4.490 4.409 3.748 4.616 0.126 8 0 "[ . 1 . 2]" 1
628 1 59 ASN HD22 2 10 SER QB . . 3.710 2.971 2.226 3.604 . 0 0 "[ . 1 . 2]" 1
629 1 60 LEU H 1 60 LEU HB2 . . 3.530 2.326 2.254 2.482 . 0 0 "[ . 1 . 2]" 1
630 1 60 LEU H 1 60 LEU MD1 . . 4.480 3.567 2.525 4.106 . 0 0 "[ . 1 . 2]" 1
631 1 60 LEU H 1 60 LEU QD . . 3.560 2.602 2.362 3.279 . 0 0 "[ . 1 . 2]" 1
632 1 60 LEU H 1 60 LEU MD2 . . 4.480 3.117 2.383 4.256 . 0 0 "[ . 1 . 2]" 1
633 1 60 LEU H 1 60 LEU HG . . 4.420 4.011 2.609 4.279 . 0 0 "[ . 1 . 2]" 1
634 1 60 LEU H 1 61 PHE H . . 3.610 2.715 2.598 2.817 . 0 0 "[ . 1 . 2]" 1
635 1 60 LEU H 2 7 ALA MB . . 4.780 4.106 3.862 4.492 . 0 0 "[ . 1 . 2]" 1
636 1 60 LEU HA 1 60 LEU MD1 . . 3.970 2.424 2.023 3.823 . 0 0 "[ . 1 . 2]" 1
637 1 60 LEU HA 1 60 LEU QD . . 3.270 2.181 1.973 2.713 . 0 0 "[ . 1 . 2]" 1
638 1 60 LEU HA 1 60 LEU MD2 . . 3.970 2.908 2.000 3.782 . 0 0 "[ . 1 . 2]" 1
639 1 60 LEU HA 1 63 ALA HA . . 5.410 5.372 5.065 5.523 0.113 10 0 "[ . 1 . 2]" 1
640 1 60 LEU HA 1 63 ALA MB . . 4.050 2.728 2.428 3.062 . 0 0 "[ . 1 . 2]" 1
641 1 60 LEU HB2 1 61 PHE H . . 5.500 3.982 3.886 4.072 . 0 0 "[ . 1 . 2]" 1
642 1 60 LEU HB2 1 63 ALA H . . 5.500 5.022 4.765 5.338 . 0 0 "[ . 1 . 2]" 1
643 1 60 LEU HB3 1 63 ALA MB . . 4.090 2.775 2.331 3.350 . 0 0 "[ . 1 . 2]" 1
644 1 60 LEU HB3 1 64 GLU H . . 4.960 4.648 4.201 4.979 0.019 18 0 "[ . 1 . 2]" 1
645 1 60 LEU HB3 1 67 LEU QD . . 3.640 2.496 2.065 3.426 . 0 0 "[ . 1 . 2]" 1
646 1 60 LEU QD 1 61 PHE H . . 5.440 4.113 3.959 4.371 . 0 0 "[ . 1 . 2]" 1
647 1 60 LEU QD 1 63 ALA MB . . 3.330 2.228 1.870 3.025 . 0 0 "[ . 1 . 2]" 1
648 1 60 LEU QD 1 67 LEU QB . . 3.940 2.737 2.022 3.951 0.011 11 0 "[ . 1 . 2]" 1
649 1 60 LEU QD 2 7 ALA MB . . 3.360 2.329 1.836 3.135 . 0 0 "[ . 1 . 2]" 1
650 1 60 LEU HG 1 63 ALA MB . . 4.460 3.548 2.254 4.500 0.040 13 0 "[ . 1 . 2]" 1
651 1 60 LEU HG 1 67 LEU QD . . 3.720 2.932 1.797 3.808 0.088 16 0 "[ . 1 . 2]" 1
652 1 61 PHE H 2 7 ALA MB . . 4.370 4.019 3.741 4.357 . 0 0 "[ . 1 . 2]" 1
653 1 61 PHE H 2 8 ARG QG . . 5.350 4.364 3.933 4.732 . 0 0 "[ . 1 . 2]" 1
654 1 61 PHE HA 1 61 PHE QD . . 4.210 3.760 3.752 3.770 . 0 0 "[ . 1 . 2]" 1
655 1 61 PHE HB3 1 62 GLY H . . 4.860 3.995 3.948 4.054 . 0 0 "[ . 1 . 2]" 1
656 1 61 PHE HB3 2 8 ARG QG . . 4.870 4.899 4.665 4.945 0.075 17 0 "[ . 1 . 2]" 1
657 1 61 PHE QD 2 8 ARG QG . . 4.990 2.859 2.526 3.106 . 0 0 "[ . 1 . 2]" 1
658 1 61 PHE QE 2 8 ARG QD . . 3.960 3.626 3.362 3.976 0.016 4 0 "[ . 1 . 2]" 1
659 1 61 PHE QE 2 8 ARG QG . . 3.970 1.969 1.913 2.058 . 0 0 "[ . 1 . 2]" 1
660 1 62 GLY H 1 63 ALA H . . 3.330 2.168 2.035 2.275 . 0 0 "[ . 1 . 2]" 1
661 1 62 GLY H 1 63 ALA MB . . 4.570 3.827 3.575 4.024 . 0 0 "[ . 1 . 2]" 1
662 1 62 GLY H 2 7 ALA HA . . 3.770 3.295 3.142 3.591 . 0 0 "[ . 1 . 2]" 1
663 1 63 ALA H 1 63 ALA MB . . 3.100 2.268 2.186 2.326 . 0 0 "[ . 1 . 2]" 1
664 1 63 ALA H 1 64 GLU H . . 3.420 2.752 2.636 2.916 . 0 0 "[ . 1 . 2]" 1
665 1 63 ALA H 1 64 GLU QB . . 4.690 4.362 3.988 4.736 0.046 2 0 "[ . 1 . 2]" 1
666 1 63 ALA H 2 5 GLN QB . . 5.340 4.788 3.821 5.470 0.130 5 0 "[ . 1 . 2]" 1
667 1 63 ALA H 2 7 ALA HA . . 4.360 4.048 3.570 4.327 . 0 0 "[ . 1 . 2]" 1
668 1 63 ALA HA 1 65 LYS H . . 4.460 3.469 3.099 3.928 . 0 0 "[ . 1 . 2]" 1
669 1 63 ALA HA 1 65 LYS QB . . 4.620 4.127 3.606 4.622 0.002 2 0 "[ . 1 . 2]" 1
670 1 63 ALA HA 1 66 VAL HB . . 5.500 4.725 3.421 5.647 0.147 19 0 "[ . 1 . 2]" 1
671 1 63 ALA HA 2 5 GLN QB . . 4.820 2.585 1.775 3.766 . 0 0 "[ . 1 . 2]" 1
672 1 63 ALA HA 2 5 GLN QG . . 4.540 2.515 1.719 3.898 . 0 0 "[ . 1 . 2]" 1
673 1 63 ALA MB 1 64 GLU H . . 3.960 3.563 3.512 3.604 . 0 0 "[ . 1 . 2]" 1
674 1 63 ALA MB 1 65 LYS H . . 5.500 4.486 4.271 4.796 . 0 0 "[ . 1 . 2]" 1
675 1 63 ALA MB 1 66 VAL HB . . 4.190 3.529 2.165 4.283 0.093 16 0 "[ . 1 . 2]" 1
676 1 63 ALA MB 1 67 LEU QB . . 3.660 3.480 3.072 3.745 0.085 11 0 "[ . 1 . 2]" 1
677 1 63 ALA MB 2 5 GLN QB . . 4.020 2.872 2.299 3.589 . 0 0 "[ . 1 . 2]" 1
678 1 63 ALA MB 2 5 GLN QG . . 3.580 2.926 2.440 3.437 . 0 0 "[ . 1 . 2]" 1
679 1 63 ALA MB 2 7 ALA MB . . 3.180 2.391 2.052 2.659 . 0 0 "[ . 1 . 2]" 1
680 1 64 GLU H 1 64 GLU QB . . 3.060 2.239 2.010 2.701 . 0 0 "[ . 1 . 2]" 1
681 1 64 GLU H 1 65 LYS H . . 3.870 2.661 2.423 2.889 . 0 0 "[ . 1 . 2]" 1
682 1 64 GLU H 1 65 LYS QB . . 5.320 4.668 4.212 5.107 . 0 0 "[ . 1 . 2]" 1
683 1 64 GLU HA 1 64 GLU HG2 . . 3.930 3.285 2.518 4.135 0.205 16 0 "[ . 1 . 2]" 1
684 1 64 GLU HA 1 64 GLU HG3 . . 3.930 3.566 3.126 4.102 0.172 3 0 "[ . 1 . 2]" 1
685 1 64 GLU HA 1 67 LEU QB . . 4.200 2.342 2.005 2.864 . 0 0 "[ . 1 . 2]" 1
686 1 64 GLU HA 1 67 LEU QD . . 3.840 2.956 2.440 3.382 . 0 0 "[ . 1 . 2]" 1
687 1 64 GLU QG 1 65 LYS H . . 5.340 3.806 2.108 4.543 . 0 0 "[ . 1 . 2]" 1
688 1 65 LYS H 1 65 LYS QD . . 5.500 3.434 1.610 4.598 . 0 0 "[ . 1 . 2]" 1
689 1 65 LYS H 1 66 VAL H . . 3.180 2.762 2.557 2.889 . 0 0 "[ . 1 . 2]" 1
690 1 65 LYS H 1 66 VAL QG . . 5.440 3.915 3.566 4.323 . 0 0 "[ . 1 . 2]" 1
691 1 65 LYS H 2 5 GLN QG . . 5.500 4.346 2.935 5.510 0.010 18 0 "[ . 1 . 2]" 1
692 1 65 LYS QB 1 66 VAL H . . 5.500 2.338 2.058 2.693 . 0 0 "[ . 1 . 2]" 1
693 1 66 VAL H 1 67 LEU H . . 3.220 2.562 2.428 2.663 . 0 0 "[ . 1 . 2]" 1
694 1 66 VAL H 2 5 GLN QG . . 4.190 3.234 2.249 4.079 . 0 0 "[ . 1 . 2]" 1
695 1 66 VAL HA 1 66 VAL MG1 . . 3.330 2.465 2.230 3.228 . 0 0 "[ . 1 . 2]" 1
696 1 66 VAL HA 1 66 VAL MG2 . . 3.330 2.757 2.250 3.215 . 0 0 "[ . 1 . 2]" 1
697 1 66 VAL HB 1 67 LEU H . . 5.500 3.392 2.459 4.045 . 0 0 "[ . 1 . 2]" 1
698 1 66 VAL QG 1 67 LEU H . . 4.860 2.679 2.254 3.308 . 0 0 "[ . 1 . 2]" 1
699 1 66 VAL QG 1 70 TRP H . . 5.440 4.237 3.502 4.837 . 0 0 "[ . 1 . 2]" 1
700 1 66 VAL QG 2 5 GLN QB . . 3.310 2.566 2.043 3.266 . 0 0 "[ . 1 . 2]" 1
701 1 66 VAL QG 2 5 GLN QG . . 2.740 2.019 1.694 2.778 0.038 12 0 "[ . 1 . 2]" 1
702 1 66 VAL MG1 2 5 GLN HB2 . . 5.630 3.921 2.300 5.551 . 0 0 "[ . 1 . 2]" 1
703 1 66 VAL MG1 2 5 GLN HB3 . . 5.630 3.883 2.780 5.662 0.032 17 0 "[ . 1 . 2]" 1
704 1 66 VAL MG1 2 5 GLN QG . . 3.820 2.937 1.826 3.949 0.129 5 0 "[ . 1 . 2]" 1
705 1 66 VAL MG2 2 5 GLN HB2 . . 5.630 3.353 2.345 4.849 . 0 0 "[ . 1 . 2]" 1
706 1 66 VAL MG2 2 5 GLN HB3 . . 5.630 3.326 2.377 5.657 0.027 11 0 "[ . 1 . 2]" 1
707 1 66 VAL MG2 2 5 GLN QG . . 3.820 2.323 1.834 3.479 . 0 0 "[ . 1 . 2]" 1
708 1 67 LEU H 1 68 LYS H . . 3.990 2.747 2.630 2.951 . 0 0 "[ . 1 . 2]" 1
709 1 67 LEU HA 1 67 LEU MD1 . . 4.420 2.276 1.946 3.818 . 0 0 "[ . 1 . 2]" 1
710 1 67 LEU HA 1 67 LEU QD . . 3.330 2.182 1.940 3.107 . 0 0 "[ . 1 . 2]" 1
711 1 67 LEU HA 1 67 LEU MD2 . . 4.420 3.790 2.826 3.907 . 0 0 "[ . 1 . 2]" 1
712 1 67 LEU HA 1 70 TRP QB . . 4.630 2.748 2.350 3.141 . 0 0 "[ . 1 . 2]" 1
713 1 67 LEU QD 1 71 LYS QE . . 3.160 2.965 1.936 3.393 0.233 17 0 "[ . 1 . 2]" 1
714 1 67 LEU HG 1 68 LYS H . . 4.810 3.668 3.294 4.695 . 0 0 "[ . 1 . 2]" 1
715 1 67 LEU HG 1 68 LYS HA . . 5.500 3.829 3.289 5.508 0.008 20 0 "[ . 1 . 2]" 1
716 1 68 LYS H 1 68 LYS QD . . 3.750 3.400 2.294 3.941 0.191 19 0 "[ . 1 . 2]" 1
717 1 68 LYS H 1 68 LYS QG . . 5.050 2.865 1.935 3.949 . 0 0 "[ . 1 . 2]" 1
718 1 68 LYS H 1 69 LYS H . . 3.400 2.725 2.634 2.860 . 0 0 "[ . 1 . 2]" 1
719 1 68 LYS HA 1 68 LYS QD . . 4.390 2.951 1.814 4.484 0.094 3 0 "[ . 1 . 2]" 1
720 1 68 LYS HA 1 68 LYS QE . . 4.840 3.928 2.009 4.702 . 0 0 "[ . 1 . 2]" 1
721 1 68 LYS HA 1 68 LYS QG . . 3.650 2.682 2.255 3.304 . 0 0 "[ . 1 . 2]" 1
722 1 68 LYS HA 1 71 LYS H . . 5.500 3.529 3.001 4.202 . 0 0 "[ . 1 . 2]" 1
723 1 68 LYS QB 1 68 LYS QE . . 4.540 3.354 1.926 3.886 . 0 0 "[ . 1 . 2]" 1
724 1 68 LYS QG 1 69 LYS H . . 4.880 4.086 2.312 4.826 . 0 0 "[ . 1 . 2]" 1
725 1 69 LYS H 1 69 LYS QB . . 3.020 2.353 2.078 2.703 . 0 0 "[ . 1 . 2]" 1
726 1 69 LYS H 1 69 LYS QD . . 5.500 4.402 3.249 4.740 . 0 0 "[ . 1 . 2]" 1
727 1 69 LYS H 1 69 LYS HG2 . . 5.500 4.054 2.239 4.622 . 0 0 "[ . 1 . 2]" 1
728 1 69 LYS H 1 69 LYS QG . . 4.760 3.447 2.222 4.115 . 0 0 "[ . 1 . 2]" 1
729 1 69 LYS H 1 69 LYS HG3 . . 5.500 3.881 2.346 4.666 . 0 0 "[ . 1 . 2]" 1
730 1 69 LYS H 1 70 TRP H . . 3.250 2.766 2.650 2.862 . 0 0 "[ . 1 . 2]" 1
731 1 69 LYS H 1 70 TRP QB . . 4.770 4.482 4.310 4.620 . 0 0 "[ . 1 . 2]" 1
732 1 69 LYS HA 1 69 LYS QD . . 4.950 3.876 2.105 4.313 . 0 0 "[ . 1 . 2]" 1
733 1 69 LYS HA 1 69 LYS QE . . 5.290 4.587 3.990 5.402 0.112 14 0 "[ . 1 . 2]" 1
734 1 69 LYS HA 1 72 LYS H . . 5.500 3.888 3.554 4.215 . 0 0 "[ . 1 . 2]" 1
735 1 69 LYS QB 1 69 LYS QE . . 4.330 2.648 1.846 3.869 . 0 0 "[ . 1 . 2]" 1
736 1 69 LYS QB 1 70 TRP H . . 3.470 2.408 2.137 3.543 0.073 14 0 "[ . 1 . 2]" 1
737 1 69 LYS QD 1 70 TRP H . . 5.500 4.378 2.589 5.506 0.006 19 0 "[ . 1 . 2]" 1
738 1 69 LYS QG 1 70 TRP H . . 4.840 3.597 2.331 4.129 . 0 0 "[ . 1 . 2]" 1
739 1 69 LYS HG2 1 70 TRP H . . 5.500 4.049 2.697 4.913 . 0 0 "[ . 1 . 2]" 1
740 1 69 LYS HG3 1 70 TRP H . . 5.500 4.385 2.346 4.789 . 0 0 "[ . 1 . 2]" 1
741 1 70 TRP H 1 70 TRP QB . . 3.020 2.244 2.150 2.317 . 0 0 "[ . 1 . 2]" 1
742 1 70 TRP H 1 71 LYS H . . 3.590 2.831 2.723 2.922 . 0 0 "[ . 1 . 2]" 1
743 1 70 TRP QB 1 71 LYS H . . 3.440 2.349 2.235 2.522 . 0 0 "[ . 1 . 2]" 1
744 1 70 TRP HE1 1 71 LYS QB . . 5.380 5.283 4.179 5.601 0.221 11 0 "[ . 1 . 2]" 1
745 1 70 TRP HE1 1 71 LYS QG . . 4.530 4.114 3.478 4.695 0.165 16 0 "[ . 1 . 2]" 1
746 1 71 LYS H 1 72 LYS H . . 5.500 2.700 2.587 2.770 . 0 0 "[ . 1 . 2]" 1
747 1 71 LYS HA 1 71 LYS QD . . 4.100 3.617 1.940 4.108 0.008 5 0 "[ . 1 . 2]" 1
748 1 71 LYS HA 1 71 LYS HE2 . . 5.210 4.587 3.663 5.212 0.002 14 0 "[ . 1 . 2]" 1
749 1 71 LYS HA 1 71 LYS QE . . 4.560 4.123 3.322 4.580 0.020 9 0 "[ . 1 . 2]" 1
750 1 71 LYS HA 1 71 LYS HE3 . . 5.210 4.768 3.769 5.225 0.015 9 0 "[ . 1 . 2]" 1
751 1 71 LYS HA 1 71 LYS QG . . 3.800 2.316 2.139 2.701 . 0 0 "[ . 1 . 2]" 1
752 1 71 LYS QB 1 72 LYS H . . 5.500 3.144 2.911 3.311 . 0 0 "[ . 1 . 2]" 1
753 1 72 LYS H 1 72 LYS QD . . 5.500 4.274 3.147 4.665 . 0 0 "[ . 1 . 2]" 1
754 1 72 LYS H 1 73 ARG H . . 3.170 2.540 2.408 2.655 . 0 0 "[ . 1 . 2]" 1
755 1 72 LYS H 1 73 ARG QB . . 5.500 4.580 4.099 4.812 . 0 0 "[ . 1 . 2]" 1
756 1 72 LYS HA 1 72 LYS QD . . 3.740 2.812 1.909 3.981 0.241 19 0 "[ . 1 . 2]" 1
757 1 72 LYS HA 1 72 LYS QE . . 4.440 3.752 1.878 4.564 0.124 17 0 "[ . 1 . 2]" 1
758 1 72 LYS HA 1 72 LYS QG . . 3.600 2.667 2.192 3.083 . 0 0 "[ . 1 . 2]" 1
759 1 72 LYS QB 1 72 LYS QD . . 3.490 2.349 2.014 2.899 . 0 0 "[ . 1 . 2]" 1
760 1 72 LYS QB 1 72 LYS QE . . 4.380 3.108 1.998 3.874 . 0 0 "[ . 1 . 2]" 1
761 1 72 LYS QB 1 73 ARG H . . 3.600 2.644 2.333 3.001 . 0 0 "[ . 1 . 2]" 1
762 1 72 LYS QB 1 73 ARG HE . . 4.430 3.544 2.404 4.546 0.116 11 0 "[ . 1 . 2]" 1
763 1 72 LYS QD 1 73 ARG HE . . 5.130 4.680 3.831 5.259 0.129 16 0 "[ . 1 . 2]" 1
764 1 72 LYS QE 1 73 ARG HE . . 5.500 4.979 4.182 5.568 0.068 13 0 "[ . 1 . 2]" 1
765 1 73 ARG H 1 73 ARG HG2 . . 5.500 3.077 2.424 4.614 . 0 0 "[ . 1 . 2]" 1
766 1 73 ARG H 1 73 ARG HG3 . . 5.500 3.843 2.070 4.449 . 0 0 "[ . 1 . 2]" 1
767 1 73 ARG H 1 74 LYS H . . 3.750 2.447 2.290 2.570 . 0 0 "[ . 1 . 2]" 1
768 1 73 ARG HA 1 73 ARG HD2 . . 4.600 3.806 3.314 4.606 0.006 9 0 "[ . 1 . 2]" 1
769 1 73 ARG HA 1 73 ARG QD . . 4.000 3.080 2.079 4.088 0.088 11 0 "[ . 1 . 2]" 1
770 1 73 ARG HA 1 73 ARG HD3 . . 4.600 3.331 2.092 4.643 0.043 19 0 "[ . 1 . 2]" 1
771 1 73 ARG HA 1 73 ARG HG2 . . 3.970 3.049 2.504 3.817 . 0 0 "[ . 1 . 2]" 1
772 1 73 ARG HA 1 73 ARG HG3 . . 3.970 3.452 2.469 3.798 . 0 0 "[ . 1 . 2]" 1
773 1 73 ARG QB 1 73 ARG HD2 . . 3.860 3.230 2.167 3.616 . 0 0 "[ . 1 . 2]" 1
774 1 73 ARG QB 1 73 ARG QD . . 3.330 2.436 2.043 2.987 . 0 0 "[ . 1 . 2]" 1
775 1 73 ARG QB 1 73 ARG HD3 . . 3.860 2.700 2.410 3.537 . 0 0 "[ . 1 . 2]" 1
776 1 73 ARG QB 1 74 LYS H . . 3.120 2.985 2.604 3.142 0.022 15 0 "[ . 1 . 2]" 1
777 1 74 LYS H 1 74 LYS HG2 . . 5.180 4.554 3.077 4.979 . 0 0 "[ . 1 . 2]" 1
778 1 74 LYS H 1 74 LYS HG3 . . 5.180 4.482 2.704 5.043 . 0 0 "[ . 1 . 2]" 1
779 1 74 LYS HA 1 74 LYS HD2 . . 4.350 3.439 1.989 4.437 0.087 16 0 "[ . 1 . 2]" 1
780 1 74 LYS HA 1 74 LYS QD . . 3.690 2.986 1.978 3.882 0.192 6 0 "[ . 1 . 2]" 1
781 1 74 LYS HA 1 74 LYS HD3 . . 4.350 3.612 3.141 4.450 0.100 19 0 "[ . 1 . 2]" 1
782 1 74 LYS HA 1 74 LYS HG2 . . 4.150 3.115 2.029 4.244 0.094 15 0 "[ . 1 . 2]" 1
783 1 74 LYS HA 1 74 LYS HG3 . . 4.150 3.431 2.328 3.797 . 0 0 "[ . 1 . 2]" 1
784 1 74 LYS HA 1 75 LYS H . . 2.480 2.134 1.970 2.264 . 0 0 "[ . 1 . 2]" 1
785 1 74 LYS HA 1 75 LYS QG . . 4.670 3.970 3.636 4.745 0.075 13 0 "[ . 1 . 2]" 1
786 1 75 LYS H 1 75 LYS QB . . 3.100 2.638 2.391 3.045 . 0 0 "[ . 1 . 2]" 1
787 1 75 LYS H 1 75 LYS QG . . 3.370 2.530 1.999 3.437 0.067 13 0 "[ . 1 . 2]" 1
788 1 75 LYS HA 1 75 LYS QD . . 4.730 3.234 1.909 4.589 . 0 0 "[ . 1 . 2]" 1
789 1 75 LYS HA 1 75 LYS QG . . 3.740 3.055 2.287 3.516 . 0 0 "[ . 1 . 2]" 1
790 1 75 LYS QE 1 75 LYS QG . . 3.130 2.502 2.297 2.917 . 0 0 "[ . 1 . 2]" 1
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