NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524210 |
2lc6   |
17599 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc6
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 896
_Distance_constraint_stats_list.Viol_count 1189
_Distance_constraint_stats_list.Viol_total 1382.052
_Distance_constraint_stats_list.Viol_max 0.977
_Distance_constraint_stats_list.Viol_rms 0.0236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0581
_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 3 LYS 0.435 0.156 11 0 "[ . 1 . 2]"
1 5 LYS 0.661 0.106 18 0 "[ . 1 . 2]"
1 7 PRO 0.661 0.106 18 0 "[ . 1 . 2]"
1 8 SER 0.209 0.101 16 0 "[ . 1 . 2]"
1 9 ILE 0.209 0.101 16 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.497 0.062 16 0 "[ . 1 . 2]"
1 12 PRO 0.219 0.062 16 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.231 0.063 16 0 "[ . 1 . 2]"
1 16 ARG 0.280 0.063 16 0 "[ . 1 . 2]"
1 17 CYS 0.079 0.033 8 0 "[ . 1 . 2]"
1 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.686 0.133 3 0 "[ . 1 . 2]"
1 20 ALA 0.336 0.083 15 0 "[ . 1 . 2]"
1 21 ILE 0.513 0.092 13 0 "[ . 1 . 2]"
1 22 ILE 0.294 0.173 13 0 "[ . 1 . 2]"
1 23 ASP 0.050 0.050 2 0 "[ . 1 . 2]"
1 24 VAL 0.073 0.051 15 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.239 0.064 3 0 "[ . 1 . 2]"
1 27 VAL 1.003 0.097 3 0 "[ . 1 . 2]"
1 28 PRO 2.419 0.097 3 0 "[ . 1 . 2]"
1 29 GLU 1.062 0.088 16 0 "[ . 1 . 2]"
1 30 THR 0.022 0.022 16 0 "[ . 1 . 2]"
1 31 HIS 1.482 0.076 15 0 "[ . 1 . 2]"
1 32 ARG 2.337 0.223 10 0 "[ . 1 . 2]"
1 33 ARG 0.322 0.173 13 0 "[ . 1 . 2]"
1 34 VAL 0.014 0.014 20 0 "[ . 1 . 2]"
1 35 ARG 1.756 0.234 5 0 "[ . 1 . 2]"
1 36 LEU 2.119 0.205 16 0 "[ . 1 . 2]"
1 37 CYS 0.079 0.033 8 0 "[ . 1 . 2]"
1 38 LYS 1.367 0.139 13 0 "[ . 1 . 2]"
1 39 HIS 1.953 0.258 6 0 "[ . 1 . 2]"
1 41 SER 2.390 0.258 6 0 "[ . 1 . 2]"
1 42 ASP 0.028 0.016 18 0 "[ . 1 . 2]"
1 43 LYS 1.556 0.149 4 0 "[ . 1 . 2]"
1 44 PRO 0.353 0.074 2 0 "[ . 1 . 2]"
1 45 LEU 2.573 0.176 10 0 "[ . 1 . 2]"
1 46 GLY 0.645 0.095 15 0 "[ . 1 . 2]"
1 47 PHE 0.669 0.062 11 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.132 0.035 9 0 "[ . 1 . 2]"
1 50 ARG 1.373 0.077 2 0 "[ . 1 . 2]"
1 51 ASP 1.306 0.077 2 0 "[ . 1 . 2]"
1 52 GLY 10.003 0.977 3 4 "[ + . * 1 -* 2]"
1 53 THR 0.717 0.132 6 0 "[ . 1 . 2]"
1 54 SER 0.104 0.032 17 0 "[ . 1 . 2]"
1 55 VAL 0.950 0.115 6 0 "[ . 1 . 2]"
1 56 ARG 1.187 0.140 12 0 "[ . 1 . 2]"
1 57 VAL 0.284 0.103 16 0 "[ . 1 . 2]"
1 58 THR 0.625 0.084 8 0 "[ . 1 . 2]"
1 59 ALA 0.053 0.027 4 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.679 0.084 8 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 1.066 0.203 7 0 "[ . 1 . 2]"
1 64 LYS 1.650 0.203 7 0 "[ . 1 . 2]"
1 65 GLN 0.484 0.101 10 0 "[ . 1 . 2]"
1 66 PRO 0.071 0.024 3 0 "[ . 1 . 2]"
1 67 GLY 0.247 0.076 9 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 11.975 0.977 3 4 "[ + . * 1 -* 2]"
1 70 ILE 0.716 0.084 1 0 "[ . 1 . 2]"
1 71 SER 0.005 0.005 9 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LEU 0.080 0.035 9 0 "[ . 1 . 2]"
1 74 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 1.562 0.081 7 0 "[ . 1 . 2]"
1 79 ALA 0.842 0.145 20 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 SER 0.227 0.041 17 0 "[ . 1 . 2]"
1 82 THR 0.110 0.048 11 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.063 0.048 11 0 "[ . 1 . 2]"
1 85 LEU 2.684 0.223 10 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.011 0.008 14 0 "[ . 1 . 2]"
1 88 ASN 1.825 0.137 12 0 "[ . 1 . 2]"
1 89 ASP 0.546 0.084 1 0 "[ . 1 . 2]"
1 90 GLU 0.416 0.099 13 0 "[ . 1 . 2]"
1 91 VAL 0.019 0.013 1 0 "[ . 1 . 2]"
1 92 ILE 3.327 0.114 4 0 "[ . 1 . 2]"
1 93 GLU 1.530 0.141 6 0 "[ . 1 . 2]"
1 94 VAL 1.678 0.140 1 0 "[ . 1 . 2]"
1 95 ASN 0.076 0.044 3 0 "[ . 1 . 2]"
1 96 GLY 0.414 0.084 15 0 "[ . 1 . 2]"
1 97 ILE 0.734 0.065 8 0 "[ . 1 . 2]"
1 98 GLU 2.009 0.143 10 0 "[ . 1 . 2]"
1 99 VAL 1.411 0.123 18 0 "[ . 1 . 2]"
1 100 ALA 1.430 0.114 7 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LYS 7.642 0.174 19 0 "[ . 1 . 2]"
1 103 THR 3.928 0.112 8 0 "[ . 1 . 2]"
1 104 LEU 2.917 0.148 18 0 "[ . 1 . 2]"
1 105 ASP 1.058 0.104 5 0 "[ . 1 . 2]"
1 106 GLN 1.885 0.112 8 0 "[ . 1 . 2]"
1 107 VAL 1.545 0.069 14 0 "[ . 1 . 2]"
1 108 THR 2.793 0.157 17 0 "[ . 1 . 2]"
1 109 ASP 0.255 0.046 13 0 "[ . 1 . 2]"
1 110 MET 4.934 0.174 8 0 "[ . 1 . 2]"
1 111 MET 1.508 0.157 17 0 "[ . 1 . 2]"
1 112 VAL 2.509 0.176 10 0 "[ . 1 . 2]"
1 113 ALA 2.747 0.174 8 0 "[ . 1 . 2]"
1 114 ASN 0.466 0.066 1 0 "[ . 1 . 2]"
1 115 SER 0.131 0.063 16 0 "[ . 1 . 2]"
1 116 SER 0.498 0.111 10 0 "[ . 1 . 2]"
1 117 ASN 0.101 0.066 5 0 "[ . 1 . 2]"
1 118 LEU 0.659 0.066 5 0 "[ . 1 . 2]"
1 119 ILE 0.782 0.122 16 0 "[ . 1 . 2]"
1 120 ILE 0.602 0.234 5 0 "[ . 1 . 2]"
1 121 THR 0.026 0.017 17 0 "[ . 1 . 2]"
1 122 VAL 0.049 0.024 15 0 "[ . 1 . 2]"
1 123 LYS 4.066 0.154 4 0 "[ . 1 . 2]"
1 124 PRO 1.302 0.121 12 0 "[ . 1 . 2]"
1 125 ALA 0.348 0.060 4 0 "[ . 1 . 2]"
1 126 ASN 1.428 0.121 12 0 "[ . 1 . 2]"
1 127 GLN 0.248 0.106 7 0 "[ . 1 . 2]"
1 128 ARG 0.466 0.106 7 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 3 LYS HA 1 3 LYS QD . . 3.980 3.237 1.877 4.136 0.156 11 0 "[ . 1 . 2]" 1
2 1 5 LYS QB 1 7 PRO HD2 . . 5.340 5.325 4.989 5.416 0.076 12 0 "[ . 1 . 2]" 1
3 1 5 LYS QB 1 7 PRO HD3 . . 4.220 4.036 3.578 4.326 0.106 18 0 "[ . 1 . 2]" 1
4 1 8 SER HA 1 9 ILE H . . 3.370 2.700 2.106 3.471 0.101 16 0 "[ . 1 . 2]" 1
5 1 8 SER QB 1 9 ILE H . . 4.700 3.572 2.061 4.048 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 9 ILE HB . . 4.030 2.888 2.464 3.786 . 0 0 "[ . 1 . 2]" 1
7 1 9 ILE H 1 9 ILE HG12 . . 4.610 3.296 1.898 4.098 . 0 0 "[ . 1 . 2]" 1
8 1 9 ILE HB 1 10 SER H . . 5.230 4.044 2.525 4.479 . 0 0 "[ . 1 . 2]" 1
9 1 11 ILE H 1 11 ILE HB . . 3.920 3.468 2.473 3.804 . 0 0 "[ . 1 . 2]" 1
10 1 11 ILE H 1 11 ILE HG12 . . 4.600 3.026 2.014 4.518 . 0 0 "[ . 1 . 2]" 1
11 1 11 ILE HA 1 11 ILE HG12 . . 4.200 3.757 3.048 4.259 0.059 12 0 "[ . 1 . 2]" 1
12 1 11 ILE HA 1 12 PRO HD2 . . 3.280 2.491 2.164 2.866 . 0 0 "[ . 1 . 2]" 1
13 1 11 ILE HA 1 12 PRO HD3 . . 3.070 2.108 1.847 2.426 . 0 0 "[ . 1 . 2]" 1
14 1 11 ILE HB 1 12 PRO HD2 . . 4.370 2.975 2.166 4.431 0.061 17 0 "[ . 1 . 2]" 1
15 1 11 ILE HB 1 12 PRO HD3 . . 4.720 3.871 3.219 4.782 0.062 16 0 "[ . 1 . 2]" 1
16 1 14 ASP HA 1 15 PHE H . . 3.330 2.303 1.934 2.912 . 0 0 "[ . 1 . 2]" 1
17 1 14 ASP QB 1 15 PHE H . . 4.560 3.422 2.490 4.057 . 0 0 "[ . 1 . 2]" 1
18 1 15 PHE H 1 15 PHE QB . . 3.640 2.542 2.266 2.979 . 0 0 "[ . 1 . 2]" 1
19 1 15 PHE H 1 15 PHE QD . . 4.760 3.561 2.408 4.536 . 0 0 "[ . 1 . 2]" 1
20 1 15 PHE H 1 16 ARG HA . . 4.880 4.631 3.729 4.943 0.063 16 0 "[ . 1 . 2]" 1
21 1 15 PHE HA 1 15 PHE QD . . 4.320 2.801 2.365 2.983 . 0 0 "[ . 1 . 2]" 1
22 1 15 PHE HA 1 16 ARG H . . 3.560 3.165 2.113 3.545 . 0 0 "[ . 1 . 2]" 1
23 1 15 PHE QB 1 16 ARG H . . 4.860 3.022 1.889 3.950 . 0 0 "[ . 1 . 2]" 1
24 1 15 PHE QD 1 16 ARG H . . 5.360 4.104 3.172 4.861 . 0 0 "[ . 1 . 2]" 1
25 1 16 ARG H 1 16 ARG QG . . 4.290 2.892 1.996 4.015 . 0 0 "[ . 1 . 2]" 1
26 1 16 ARG HA 1 16 ARG QD . . 4.470 4.027 2.969 4.499 0.029 17 0 "[ . 1 . 2]" 1
27 1 16 ARG HA 1 16 ARG QG . . 3.790 2.759 2.409 3.498 . 0 0 "[ . 1 . 2]" 1
28 1 16 ARG QB 1 16 ARG QD . . 3.470 2.228 2.061 2.478 . 0 0 "[ . 1 . 2]" 1
29 1 17 CYS CB 1 37 CYS SG . . 3.100 3.048 2.986 3.108 0.008 18 0 "[ . 1 . 2]" 1
30 1 17 CYS HA 1 18 VAL H . . 3.250 2.216 2.058 2.476 . 0 0 "[ . 1 . 2]" 1
31 1 17 CYS HB2 1 18 VAL H . . 4.720 3.783 2.523 4.473 . 0 0 "[ . 1 . 2]" 1
32 1 17 CYS HB3 1 18 VAL H . . 4.720 3.518 2.634 4.191 . 0 0 "[ . 1 . 2]" 1
33 1 17 CYS SG 1 37 CYS CB . . 3.100 3.058 2.991 3.133 0.033 8 0 "[ . 1 . 2]" 1
34 1 17 CYS SG 1 37 CYS SG . . 2.100 2.033 2.013 2.050 . 0 0 "[ . 1 . 2]" 1
35 1 18 VAL H 1 18 VAL HB . . 3.930 3.347 2.567 3.884 . 0 0 "[ . 1 . 2]" 1
36 1 18 VAL H 1 19 SER H . . 4.860 4.328 4.010 4.498 . 0 0 "[ . 1 . 2]" 1
37 1 18 VAL HA 1 19 SER H . . 3.360 2.176 2.040 2.355 . 0 0 "[ . 1 . 2]" 1
38 1 18 VAL HB 1 19 SER H . . 4.950 3.696 2.878 4.298 . 0 0 "[ . 1 . 2]" 1
39 1 19 SER QB 1 20 ALA H . . 4.600 3.153 2.847 3.523 . 0 0 "[ . 1 . 2]" 1
40 1 19 SER QB 1 36 LEU HA . . 4.390 4.218 3.146 4.523 0.133 3 0 "[ . 1 . 2]" 1
41 1 19 SER QB 1 82 THR HB . . 5.470 3.834 2.497 5.154 . 0 0 "[ . 1 . 2]" 1
42 1 20 ALA H 1 21 ILE H . . 4.940 4.360 4.240 4.517 . 0 0 "[ . 1 . 2]" 1
43 1 20 ALA H 1 35 ARG H . . 4.230 2.752 2.316 3.270 . 0 0 "[ . 1 . 2]" 1
44 1 20 ALA H 1 35 ARG HB2 . . 4.290 3.869 2.684 4.373 0.083 15 0 "[ . 1 . 2]" 1
45 1 20 ALA H 1 35 ARG HB3 . . 4.290 3.296 2.493 4.328 0.038 14 0 "[ . 1 . 2]" 1
46 1 20 ALA HA 1 21 ILE H . . 3.370 2.290 2.144 2.472 . 0 0 "[ . 1 . 2]" 1
47 1 20 ALA MB 1 21 ILE H . . 3.240 2.583 2.486 2.983 . 0 0 "[ . 1 . 2]" 1
48 1 20 ALA MB 1 35 ARG H . . 4.910 4.056 3.454 4.685 . 0 0 "[ . 1 . 2]" 1
49 1 21 ILE H 1 21 ILE HB . . 3.600 2.744 2.490 3.661 0.061 16 0 "[ . 1 . 2]" 1
50 1 21 ILE H 1 22 ILE H . . 5.200 4.228 4.040 4.451 . 0 0 "[ . 1 . 2]" 1
51 1 21 ILE HA 1 35 ARG H . . 4.010 3.891 3.295 4.102 0.092 13 0 "[ . 1 . 2]" 1
52 1 21 ILE HB 1 22 ILE H . . 5.140 3.979 2.411 4.309 . 0 0 "[ . 1 . 2]" 1
53 1 22 ILE H 1 23 ASP H . . 4.830 4.501 4.406 4.575 . 0 0 "[ . 1 . 2]" 1
54 1 22 ILE H 1 33 ARG H . . 5.500 4.433 3.603 4.921 . 0 0 "[ . 1 . 2]" 1
55 1 22 ILE H 1 33 ARG HB2 . . 4.790 3.299 2.573 4.861 0.071 6 0 "[ . 1 . 2]" 1
56 1 22 ILE H 1 33 ARG HB3 . . 4.790 3.701 3.247 4.963 0.173 13 0 "[ . 1 . 2]" 1
57 1 22 ILE H 1 34 VAL HA . . 4.410 3.610 3.303 4.020 . 0 0 "[ . 1 . 2]" 1
58 1 22 ILE HA 1 24 VAL H . . 5.140 3.229 2.873 4.627 . 0 0 "[ . 1 . 2]" 1
59 1 22 ILE HB 1 23 ASP H . . 3.680 2.410 2.102 2.590 . 0 0 "[ . 1 . 2]" 1
60 1 22 ILE HB 1 24 VAL H . . 5.460 4.671 4.397 5.511 0.051 15 0 "[ . 1 . 2]" 1
61 1 23 ASP H 1 24 VAL H . . 4.160 2.609 2.413 3.322 . 0 0 "[ . 1 . 2]" 1
62 1 23 ASP HA 1 25 ASP H . . 4.770 3.507 3.243 3.646 . 0 0 "[ . 1 . 2]" 1
63 1 23 ASP HA 1 26 ILE H . . 4.890 3.601 3.216 3.999 . 0 0 "[ . 1 . 2]" 1
64 1 23 ASP QB 1 26 ILE H . . 4.510 3.624 2.638 3.904 . 0 0 "[ . 1 . 2]" 1
65 1 23 ASP QB 1 27 VAL H . . 4.900 3.241 2.806 3.792 . 0 0 "[ . 1 . 2]" 1
66 1 23 ASP HB2 1 26 ILE H . . 5.180 4.898 4.209 5.230 0.050 2 0 "[ . 1 . 2]" 1
67 1 23 ASP HB3 1 26 ILE H . . 5.180 3.738 2.665 4.044 . 0 0 "[ . 1 . 2]" 1
68 1 24 VAL H 1 24 VAL HB . . 3.670 2.814 2.447 3.690 0.020 8 0 "[ . 1 . 2]" 1
69 1 24 VAL H 1 25 ASP H . . 4.000 2.769 2.631 2.894 . 0 0 "[ . 1 . 2]" 1
70 1 24 VAL HA 1 26 ILE H . . 4.740 4.043 3.757 4.445 . 0 0 "[ . 1 . 2]" 1
71 1 24 VAL HA 1 27 VAL H . . 4.760 3.536 3.138 3.949 . 0 0 "[ . 1 . 2]" 1
72 1 24 VAL HB 1 25 ASP H . . 4.400 4.043 3.869 4.169 . 0 0 "[ . 1 . 2]" 1
73 1 25 ASP H 1 26 ILE H . . 3.670 2.443 2.300 2.668 . 0 0 "[ . 1 . 2]" 1
74 1 25 ASP H 1 27 VAL H . . 5.270 4.037 3.768 4.313 . 0 0 "[ . 1 . 2]" 1
75 1 26 ILE H 1 26 ILE HB . . 3.770 2.566 2.440 3.755 . 0 0 "[ . 1 . 2]" 1
76 1 26 ILE H 1 26 ILE HG12 . . 4.080 2.795 2.085 3.702 . 0 0 "[ . 1 . 2]" 1
77 1 26 ILE HB 1 27 VAL H . . 4.620 2.554 2.252 3.883 . 0 0 "[ . 1 . 2]" 1
78 1 26 ILE HG12 1 27 VAL H . . 4.780 4.303 2.873 4.844 0.064 3 0 "[ . 1 . 2]" 1
79 1 27 VAL H 1 27 VAL HB . . 4.000 2.383 2.213 2.548 . 0 0 "[ . 1 . 2]" 1
80 1 27 VAL H 1 28 PRO HD3 . . 5.160 4.647 4.484 4.954 . 0 0 "[ . 1 . 2]" 1
81 1 27 VAL HA 1 28 PRO HD2 . . 3.330 2.211 1.943 2.839 . 0 0 "[ . 1 . 2]" 1
82 1 27 VAL HA 1 28 PRO HD3 . . 3.670 2.189 1.839 2.436 . 0 0 "[ . 1 . 2]" 1
83 1 27 VAL HB 1 28 PRO HD2 . . 4.280 4.314 4.202 4.377 0.097 3 0 "[ . 1 . 2]" 1
84 1 28 PRO HA 1 29 GLU H . . 3.300 2.263 2.204 2.323 . 0 0 "[ . 1 . 2]" 1
85 1 28 PRO HA 1 29 GLU QB . . 4.250 4.289 4.144 4.338 0.088 16 0 "[ . 1 . 2]" 1
86 1 28 PRO HB2 1 30 THR H . . 4.660 2.368 2.262 2.607 . 0 0 "[ . 1 . 2]" 1
87 1 28 PRO HB2 1 31 HIS H . . 4.730 3.800 3.351 3.941 . 0 0 "[ . 1 . 2]" 1
88 1 28 PRO HB3 1 29 GLU H . . 4.380 3.537 3.129 3.733 . 0 0 "[ . 1 . 2]" 1
89 1 28 PRO HB3 1 30 THR H . . 5.020 3.942 3.470 4.318 . 0 0 "[ . 1 . 2]" 1
90 1 28 PRO HB3 1 31 HIS H . . 5.200 5.200 4.958 5.264 0.064 17 0 "[ . 1 . 2]" 1
91 1 28 PRO HD2 1 31 HIS HB2 . . 5.160 2.858 2.084 3.290 . 0 0 "[ . 1 . 2]" 1
92 1 28 PRO HD3 1 31 HIS HB2 . . 4.860 4.575 3.775 4.913 0.053 15 0 "[ . 1 . 2]" 1
93 1 28 PRO QG 1 31 HIS H . . 4.840 3.471 2.897 4.857 0.017 1 0 "[ . 1 . 2]" 1
94 1 29 GLU H 1 29 GLU QB . . 3.580 2.408 2.191 2.585 . 0 0 "[ . 1 . 2]" 1
95 1 29 GLU H 1 29 GLU QG . . 3.890 2.351 1.927 3.930 0.040 8 0 "[ . 1 . 2]" 1
96 1 29 GLU H 1 30 THR H . . 4.410 2.745 2.633 2.875 . 0 0 "[ . 1 . 2]" 1
97 1 29 GLU H 1 31 HIS H . . 4.850 4.369 4.184 4.493 . 0 0 "[ . 1 . 2]" 1
98 1 29 GLU HA 1 29 GLU QG . . 3.860 3.275 2.499 3.521 . 0 0 "[ . 1 . 2]" 1
99 1 29 GLU HA 1 31 HIS H . . 4.020 3.585 3.199 3.852 . 0 0 "[ . 1 . 2]" 1
100 1 29 GLU QB 1 30 THR H . . 4.810 3.668 2.998 3.807 . 0 0 "[ . 1 . 2]" 1
101 1 29 GLU QB 1 30 THR HA . . 5.420 4.519 4.286 4.609 . 0 0 "[ . 1 . 2]" 1
102 1 29 GLU QG 1 30 THR H . . 4.660 2.934 2.411 3.934 . 0 0 "[ . 1 . 2]" 1
103 1 29 GLU QG 1 30 THR HA . . 4.870 3.634 3.383 4.892 0.022 16 0 "[ . 1 . 2]" 1
104 1 30 THR H 1 31 HIS H . . 3.830 2.585 2.495 2.725 . 0 0 "[ . 1 . 2]" 1
105 1 31 HIS H 1 31 HIS HB2 . . 3.930 2.554 2.444 2.634 . 0 0 "[ . 1 . 2]" 1
106 1 31 HIS H 1 32 ARG H . . 5.260 4.396 4.334 4.462 . 0 0 "[ . 1 . 2]" 1
107 1 31 HIS HA 1 31 HIS HD2 . . 3.990 2.500 2.303 2.681 . 0 0 "[ . 1 . 2]" 1
108 1 31 HIS HA 1 123 LYS HA . . 4.130 2.316 2.194 2.508 . 0 0 "[ . 1 . 2]" 1
109 1 31 HIS HB2 1 32 ARG H . . 4.400 3.924 3.787 4.134 . 0 0 "[ . 1 . 2]" 1
110 1 31 HIS HB3 1 32 ARG H . . 4.160 2.661 2.444 2.958 . 0 0 "[ . 1 . 2]" 1
111 1 31 HIS HD2 1 32 ARG H . . 4.780 4.550 4.258 4.755 . 0 0 "[ . 1 . 2]" 1
112 1 31 HIS HD2 1 123 LYS HA . . 4.500 3.364 2.928 3.899 . 0 0 "[ . 1 . 2]" 1
113 1 31 HIS HD2 1 123 LYS HB2 . . 4.510 2.599 2.385 2.899 . 0 0 "[ . 1 . 2]" 1
114 1 31 HIS HE1 1 92 ILE HB . . 4.060 4.103 4.082 4.136 0.076 15 0 "[ . 1 . 2]" 1
115 1 32 ARG H 1 122 VAL H . . 4.330 2.849 2.675 3.033 . 0 0 "[ . 1 . 2]" 1
116 1 32 ARG H 1 123 LYS HA . . 4.820 3.113 2.783 3.447 . 0 0 "[ . 1 . 2]" 1
117 1 32 ARG H 1 124 PRO HD2 . . 4.690 4.241 3.541 4.665 . 0 0 "[ . 1 . 2]" 1
118 1 32 ARG H 1 124 PRO HD3 . . 4.690 3.764 3.044 4.460 . 0 0 "[ . 1 . 2]" 1
119 1 32 ARG HA 1 121 THR HA . . 5.410 5.263 5.064 5.427 0.017 17 0 "[ . 1 . 2]" 1
120 1 32 ARG QB 1 32 ARG QD . . 3.240 2.531 2.268 2.827 . 0 0 "[ . 1 . 2]" 1
121 1 32 ARG QG 1 33 ARG H . . 4.990 2.836 2.391 3.210 . 0 0 "[ . 1 . 2]" 1
122 1 32 ARG QG 1 34 VAL H . . 4.420 4.257 4.103 4.434 0.014 20 0 "[ . 1 . 2]" 1
123 1 32 ARG QG 1 85 LEU QB . . 4.490 4.559 3.812 4.713 0.223 10 0 "[ . 1 . 2]" 1
124 1 32 ARG QG 1 122 VAL H . . 4.910 4.372 4.002 4.656 . 0 0 "[ . 1 . 2]" 1
125 1 33 ARG H 1 34 VAL H . . 5.290 4.255 4.130 4.354 . 0 0 "[ . 1 . 2]" 1
126 1 33 ARG HA 1 121 THR HA . . 3.970 2.357 2.154 2.556 . 0 0 "[ . 1 . 2]" 1
127 1 33 ARG HA 1 122 VAL H . . 4.230 3.421 3.176 3.678 . 0 0 "[ . 1 . 2]" 1
128 1 33 ARG QB 1 120 ILE H . . 4.940 4.266 3.886 5.019 0.079 6 0 "[ . 1 . 2]" 1
129 1 34 VAL H 1 120 ILE H . . 4.360 3.006 2.830 3.251 . 0 0 "[ . 1 . 2]" 1
130 1 34 VAL H 1 121 THR HA . . 4.230 3.846 3.537 4.049 . 0 0 "[ . 1 . 2]" 1
131 1 34 VAL HB 1 35 ARG H . . 4.690 2.969 2.544 4.092 . 0 0 "[ . 1 . 2]" 1
132 1 35 ARG H 1 35 ARG QG . . 4.380 3.909 2.832 4.119 . 0 0 "[ . 1 . 2]" 1
133 1 35 ARG H 1 36 LEU H . . 4.910 4.376 4.237 4.458 . 0 0 "[ . 1 . 2]" 1
134 1 35 ARG HA 1 36 LEU H . . 3.540 2.145 2.017 2.233 . 0 0 "[ . 1 . 2]" 1
135 1 35 ARG HA 1 119 ILE HA . . 3.300 2.515 2.291 2.836 . 0 0 "[ . 1 . 2]" 1
136 1 35 ARG HA 1 120 ILE H . . 3.500 3.306 3.012 3.566 0.066 10 0 "[ . 1 . 2]" 1
137 1 35 ARG QB 1 35 ARG QD . . 3.450 2.531 2.081 2.831 . 0 0 "[ . 1 . 2]" 1
138 1 35 ARG QB 1 36 LEU H . . 4.050 3.637 3.151 3.813 . 0 0 "[ . 1 . 2]" 1
139 1 35 ARG QD 1 36 LEU H . . 5.500 3.100 2.092 4.847 . 0 0 "[ . 1 . 2]" 1
140 1 35 ARG QD 1 119 ILE H . . 5.220 4.940 3.817 5.342 0.122 16 0 "[ . 1 . 2]" 1
141 1 35 ARG QG 1 120 ILE H . . 5.160 4.918 4.307 5.394 0.234 5 0 "[ . 1 . 2]" 1
142 1 36 LEU H 1 36 LEU HB2 . . 4.130 2.617 2.324 2.918 . 0 0 "[ . 1 . 2]" 1
143 1 36 LEU H 1 36 LEU HG . . 5.120 3.981 2.645 4.810 . 0 0 "[ . 1 . 2]" 1
144 1 36 LEU H 1 37 CYS H . . 5.070 4.481 4.318 4.557 . 0 0 "[ . 1 . 2]" 1
145 1 36 LEU H 1 117 ASN HA . . 5.170 4.490 4.197 4.827 . 0 0 "[ . 1 . 2]" 1
146 1 36 LEU H 1 118 LEU H . . 4.830 2.939 2.690 3.211 . 0 0 "[ . 1 . 2]" 1
147 1 36 LEU H 1 118 LEU HB3 . . 4.710 3.347 3.010 3.862 . 0 0 "[ . 1 . 2]" 1
148 1 36 LEU H 1 119 ILE HA . . 3.720 3.614 3.338 3.803 0.083 11 0 "[ . 1 . 2]" 1
149 1 36 LEU HA 1 36 LEU HG . . 3.740 2.955 2.665 3.298 . 0 0 "[ . 1 . 2]" 1
150 1 36 LEU HB2 1 36 LEU HG . . 2.710 2.619 2.411 2.915 0.205 16 0 "[ . 1 . 2]" 1
151 1 36 LEU HB2 1 118 LEU H . . 4.770 3.824 2.384 4.804 0.034 7 0 "[ . 1 . 2]" 1
152 1 36 LEU HB2 1 118 LEU HB3 . . 4.520 2.890 1.960 3.642 . 0 0 "[ . 1 . 2]" 1
153 1 36 LEU HB3 1 37 CYS H . . 4.320 3.737 2.909 4.207 . 0 0 "[ . 1 . 2]" 1
154 1 36 LEU HB3 1 118 LEU H . . 5.040 3.226 1.838 4.342 . 0 0 "[ . 1 . 2]" 1
155 1 36 LEU HB3 1 118 LEU HB3 . . 4.720 2.534 1.804 4.060 . 0 0 "[ . 1 . 2]" 1
156 1 37 CYS H 1 37 CYS QB . . 3.650 2.762 2.369 3.215 . 0 0 "[ . 1 . 2]" 1
157 1 38 LYS HA 1 38 LYS QD . . 4.760 3.575 1.954 4.460 . 0 0 "[ . 1 . 2]" 1
158 1 38 LYS HA 1 38 LYS QG . . 3.740 2.777 2.389 3.533 . 0 0 "[ . 1 . 2]" 1
159 1 38 LYS QD 1 39 HIS H . . 5.060 4.477 3.122 5.158 0.098 16 0 "[ . 1 . 2]" 1
160 1 38 LYS QD 1 115 SER QB . . 5.010 3.480 2.086 5.073 0.063 16 0 "[ . 1 . 2]" 1
161 1 38 LYS QD 1 116 SER HA . . 4.970 3.125 2.088 3.910 . 0 0 "[ . 1 . 2]" 1
162 1 38 LYS QD 1 116 SER QB . . 4.660 3.989 2.673 4.771 0.111 10 0 "[ . 1 . 2]" 1
163 1 38 LYS QE 1 115 SER HA . . 5.190 3.934 1.979 5.198 0.008 16 0 "[ . 1 . 2]" 1
164 1 38 LYS QE 1 115 SER QB . . 4.580 2.867 1.784 4.612 0.032 6 0 "[ . 1 . 2]" 1
165 1 38 LYS QE 1 116 SER HA . . 4.350 3.398 1.793 4.457 0.107 7 0 "[ . 1 . 2]" 1
166 1 38 LYS QG 1 39 HIS H . . 4.220 3.448 2.509 4.293 0.073 4 0 "[ . 1 . 2]" 1
167 1 38 LYS HG2 1 39 HIS H . . 4.820 4.222 2.753 4.820 . 0 0 "[ . 1 . 2]" 1
168 1 38 LYS HG3 1 39 HIS H . . 4.820 3.846 2.566 4.959 0.139 13 0 "[ . 1 . 2]" 1
169 1 39 HIS HB2 1 41 SER H . . 4.980 4.810 3.892 5.238 0.258 6 0 "[ . 1 . 2]" 1
170 1 39 HIS HB3 1 41 SER H . . 4.980 4.663 3.510 5.058 0.078 10 0 "[ . 1 . 2]" 1
171 1 41 SER HA 1 43 LYS H . . 4.750 4.584 3.109 4.899 0.149 4 0 "[ . 1 . 2]" 1
172 1 41 SER QB 1 42 ASP H . . 4.960 3.055 2.102 3.985 . 0 0 "[ . 1 . 2]" 1
173 1 41 SER QB 1 43 LYS H . . 4.650 3.918 2.929 4.464 . 0 0 "[ . 1 . 2]" 1
174 1 42 ASP H 1 43 LYS H . . 4.220 3.413 1.916 3.947 . 0 0 "[ . 1 . 2]" 1
175 1 42 ASP HA 1 115 SER QB . . 5.500 4.735 3.510 5.516 0.016 18 0 "[ . 1 . 2]" 1
176 1 42 ASP QB 1 43 LYS H . . 4.430 3.620 2.230 3.968 . 0 0 "[ . 1 . 2]" 1
177 1 43 LYS H 1 43 LYS QB . . 3.700 2.601 2.233 3.401 . 0 0 "[ . 1 . 2]" 1
178 1 43 LYS H 1 44 PRO QD . . 4.980 4.364 4.099 4.465 . 0 0 "[ . 1 . 2]" 1
179 1 43 LYS HA 1 43 LYS QD . . 4.670 3.729 2.624 4.515 . 0 0 "[ . 1 . 2]" 1
180 1 43 LYS HA 1 44 PRO HD2 . . 3.580 2.623 2.259 3.229 . 0 0 "[ . 1 . 2]" 1
181 1 43 LYS HA 1 44 PRO HD3 . . 3.580 2.287 1.959 2.811 . 0 0 "[ . 1 . 2]" 1
182 1 43 LYS QB 1 44 PRO QD . . 3.460 2.203 1.905 3.514 0.054 18 0 "[ . 1 . 2]" 1
183 1 43 LYS HB2 1 44 PRO HD2 . . 4.730 3.626 2.061 4.301 . 0 0 "[ . 1 . 2]" 1
184 1 43 LYS HB2 1 44 PRO HD3 . . 4.730 4.452 3.075 4.804 0.074 2 0 "[ . 1 . 2]" 1
185 1 43 LYS HB3 1 44 PRO HD2 . . 4.730 2.438 1.924 4.505 . 0 0 "[ . 1 . 2]" 1
186 1 43 LYS HB3 1 44 PRO HD3 . . 4.730 3.530 2.730 4.726 . 0 0 "[ . 1 . 2]" 1
187 1 43 LYS QE 1 43 LYS QG . . 3.160 2.315 2.120 2.706 . 0 0 "[ . 1 . 2]" 1
188 1 43 LYS QG 1 44 PRO QD . . 5.050 3.169 2.408 3.741 . 0 0 "[ . 1 . 2]" 1
189 1 44 PRO HB2 1 45 LEU H . . 4.290 3.201 2.786 3.499 . 0 0 "[ . 1 . 2]" 1
190 1 44 PRO HB3 1 45 LEU H . . 4.640 3.264 2.911 3.691 . 0 0 "[ . 1 . 2]" 1
191 1 45 LEU H 1 45 LEU HG . . 4.610 3.228 3.048 3.439 . 0 0 "[ . 1 . 2]" 1
192 1 45 LEU H 1 46 GLY H . . 4.650 4.510 2.830 4.652 0.002 15 0 "[ . 1 . 2]" 1
193 1 45 LEU HA 1 45 LEU HG . . 3.820 2.697 2.598 2.793 . 0 0 "[ . 1 . 2]" 1
194 1 45 LEU HB2 1 46 GLY H . . 4.870 3.606 2.343 4.004 . 0 0 "[ . 1 . 2]" 1
195 1 45 LEU HB2 1 47 PHE H . . 5.190 3.077 2.686 3.493 . 0 0 "[ . 1 . 2]" 1
196 1 45 LEU HB2 1 47 PHE QD . . 5.000 4.402 4.046 4.786 . 0 0 "[ . 1 . 2]" 1
197 1 45 LEU HB2 1 47 PHE QE . . 4.820 4.349 3.953 4.882 0.062 11 0 "[ . 1 . 2]" 1
198 1 45 LEU HB3 1 45 LEU HG . . 2.720 2.658 2.580 2.717 . 0 0 "[ . 1 . 2]" 1
199 1 45 LEU HB3 1 46 GLY H . . 4.340 2.633 2.180 3.353 . 0 0 "[ . 1 . 2]" 1
200 1 45 LEU HB3 1 47 PHE H . . 5.170 3.347 2.870 4.391 . 0 0 "[ . 1 . 2]" 1
201 1 45 LEU HB3 1 47 PHE QE . . 5.310 3.585 3.131 4.530 . 0 0 "[ . 1 . 2]" 1
202 1 45 LEU HG 1 112 VAL HA . . 4.000 4.125 4.078 4.176 0.176 10 0 "[ . 1 . 2]" 1
203 1 46 GLY H 1 47 PHE H . . 3.890 3.056 1.749 3.361 . 0 0 "[ . 1 . 2]" 1
204 1 46 GLY H 1 78 LEU H . . 4.670 3.653 2.851 4.392 . 0 0 "[ . 1 . 2]" 1
205 1 46 GLY H 1 78 LEU HB2 . . 5.200 4.533 3.603 5.265 0.065 19 0 "[ . 1 . 2]" 1
206 1 46 GLY HA2 1 74 VAL H . . 5.200 3.554 3.215 3.787 . 0 0 "[ . 1 . 2]" 1
207 1 46 GLY HA2 1 74 VAL HB . . 4.630 2.739 1.925 4.346 . 0 0 "[ . 1 . 2]" 1
208 1 46 GLY HA3 1 74 VAL H . . 5.140 3.937 3.463 4.310 . 0 0 "[ . 1 . 2]" 1
209 1 46 GLY HA3 1 74 VAL HB . . 4.860 3.811 3.117 4.843 . 0 0 "[ . 1 . 2]" 1
210 1 46 GLY HA3 1 78 LEU HB2 . . 4.740 4.543 3.774 4.821 0.081 7 0 "[ . 1 . 2]" 1
211 1 46 GLY HA3 1 79 ALA H . . 4.320 2.891 2.078 4.130 . 0 0 "[ . 1 . 2]" 1
212 1 46 GLY HA3 1 79 ALA MB . . 4.680 3.751 2.941 4.775 0.095 15 0 "[ . 1 . 2]" 1
213 1 47 PHE H 1 47 PHE QD . . 4.730 3.451 3.343 3.615 . 0 0 "[ . 1 . 2]" 1
214 1 47 PHE H 1 48 TYR H . . 5.380 4.214 4.107 4.328 . 0 0 "[ . 1 . 2]" 1
215 1 47 PHE HA 1 47 PHE QD . . 4.440 3.761 3.735 3.777 . 0 0 "[ . 1 . 2]" 1
216 1 47 PHE HA 1 48 TYR QD . . 4.860 3.751 3.400 3.946 . 0 0 "[ . 1 . 2]" 1
217 1 47 PHE HA 1 73 LEU HA . . 4.190 2.200 1.941 2.491 . 0 0 "[ . 1 . 2]" 1
218 1 47 PHE HA 1 74 VAL H . . 4.670 2.718 2.327 3.322 . 0 0 "[ . 1 . 2]" 1
219 1 47 PHE HA 1 79 ALA MB . . 4.740 4.275 3.732 4.737 . 0 0 "[ . 1 . 2]" 1
220 1 47 PHE HB2 1 48 TYR H . . 4.120 2.655 2.282 2.836 . 0 0 "[ . 1 . 2]" 1
221 1 47 PHE HB2 1 79 ALA MB . . 4.600 4.020 3.697 4.618 0.018 2 0 "[ . 1 . 2]" 1
222 1 47 PHE HB3 1 48 TYR H . . 4.400 3.815 3.614 3.937 . 0 0 "[ . 1 . 2]" 1
223 1 47 PHE HB3 1 74 VAL H . . 5.500 4.115 3.716 4.720 . 0 0 "[ . 1 . 2]" 1
224 1 47 PHE HB3 1 79 ALA MB . . 4.660 2.639 2.323 3.168 . 0 0 "[ . 1 . 2]" 1
225 1 47 PHE QD 1 48 TYR H . . 4.720 3.603 3.082 3.887 . 0 0 "[ . 1 . 2]" 1
226 1 47 PHE QD 1 71 SER H . . 5.440 4.647 4.294 5.380 . 0 0 "[ . 1 . 2]" 1
227 1 47 PHE QD 1 79 ALA MB . . 3.440 2.203 1.963 2.656 . 0 0 "[ . 1 . 2]" 1
228 1 47 PHE QE 1 111 MET QB . . 4.480 4.462 3.938 4.540 0.060 8 0 "[ . 1 . 2]" 1
229 1 47 PHE QE 1 111 MET ME . . 4.090 2.251 2.078 2.818 . 0 0 "[ . 1 . 2]" 1
230 1 47 PHE QE 1 120 ILE HB . . 4.600 4.269 3.675 4.626 0.026 15 0 "[ . 1 . 2]" 1
231 1 47 PHE HZ 1 111 MET ME . . 4.590 3.614 3.140 4.567 . 0 0 "[ . 1 . 2]" 1
232 1 48 TYR H 1 48 TYR QD . . 4.240 2.765 2.604 3.004 . 0 0 "[ . 1 . 2]" 1
233 1 48 TYR H 1 49 ILE H . . 5.000 4.486 4.433 4.529 . 0 0 "[ . 1 . 2]" 1
234 1 48 TYR H 1 70 ILE HA . . 5.200 4.896 4.709 5.106 . 0 0 "[ . 1 . 2]" 1
235 1 48 TYR H 1 71 SER H . . 5.500 3.724 3.553 3.909 . 0 0 "[ . 1 . 2]" 1
236 1 48 TYR H 1 72 ARG H . . 4.090 2.686 2.494 2.939 . 0 0 "[ . 1 . 2]" 1
237 1 48 TYR H 1 72 ARG QB . . 5.180 3.998 3.687 4.303 . 0 0 "[ . 1 . 2]" 1
238 1 48 TYR HA 1 48 TYR QD . . 4.120 2.885 2.739 2.981 . 0 0 "[ . 1 . 2]" 1
239 1 48 TYR HB2 1 49 ILE H . . 4.660 3.683 3.548 3.838 . 0 0 "[ . 1 . 2]" 1
240 1 48 TYR HB2 1 72 ARG H . . 4.460 2.468 2.222 2.725 . 0 0 "[ . 1 . 2]" 1
241 1 48 TYR HB2 1 72 ARG HB2 . . 5.180 4.188 3.842 4.630 . 0 0 "[ . 1 . 2]" 1
242 1 48 TYR HB2 1 72 ARG QB . . 4.310 2.950 2.558 3.409 . 0 0 "[ . 1 . 2]" 1
243 1 48 TYR HB2 1 72 ARG HB3 . . 5.180 3.017 2.596 3.530 . 0 0 "[ . 1 . 2]" 1
244 1 48 TYR HB3 1 49 ILE H . . 4.150 2.688 2.530 2.907 . 0 0 "[ . 1 . 2]" 1
245 1 48 TYR HB3 1 71 SER H . . 5.500 4.356 4.162 4.572 . 0 0 "[ . 1 . 2]" 1
246 1 48 TYR HB3 1 71 SER HB2 . . 4.870 4.022 3.726 4.867 . 0 0 "[ . 1 . 2]" 1
247 1 48 TYR HB3 1 71 SER HB3 . . 4.870 2.921 2.558 4.853 . 0 0 "[ . 1 . 2]" 1
248 1 48 TYR HB3 1 72 ARG H . . 4.650 4.104 3.842 4.363 . 0 0 "[ . 1 . 2]" 1
249 1 48 TYR HB3 1 72 ARG QB . . 4.960 4.306 3.901 4.800 . 0 0 "[ . 1 . 2]" 1
250 1 48 TYR QD 1 49 ILE H . . 4.670 4.075 3.897 4.314 . 0 0 "[ . 1 . 2]" 1
251 1 48 TYR QD 1 72 ARG H . . 4.660 3.214 2.959 3.545 . 0 0 "[ . 1 . 2]" 1
252 1 48 TYR QD 1 72 ARG HA . . 4.670 4.248 4.017 4.467 . 0 0 "[ . 1 . 2]" 1
253 1 48 TYR QD 1 72 ARG HB2 . . 4.470 3.759 3.615 4.083 . 0 0 "[ . 1 . 2]" 1
254 1 48 TYR QD 1 72 ARG QB . . 3.730 2.064 1.911 2.391 . 0 0 "[ . 1 . 2]" 1
255 1 48 TYR QD 1 72 ARG HB3 . . 4.470 2.073 1.918 2.408 . 0 0 "[ . 1 . 2]" 1
256 1 48 TYR QD 1 72 ARG QD . . 5.110 3.468 3.072 4.013 . 0 0 "[ . 1 . 2]" 1
257 1 48 TYR QD 1 72 ARG QG . . 4.040 3.209 2.885 3.623 . 0 0 "[ . 1 . 2]" 1
258 1 48 TYR QE 1 72 ARG QB . . 4.700 3.499 3.200 3.833 . 0 0 "[ . 1 . 2]" 1
259 1 48 TYR QE 1 72 ARG QD . . 4.680 3.222 2.621 4.071 . 0 0 "[ . 1 . 2]" 1
260 1 49 ILE H 1 50 ARG H . . 5.440 4.421 4.348 4.465 . 0 0 "[ . 1 . 2]" 1
261 1 49 ILE H 1 104 LEU HG . . 5.490 5.359 4.946 5.525 0.035 9 0 "[ . 1 . 2]" 1
262 1 49 ILE HA 1 69 PHE H . . 5.110 4.775 4.569 4.943 . 0 0 "[ . 1 . 2]" 1
263 1 49 ILE HA 1 70 ILE H . . 5.500 4.736 4.597 4.833 . 0 0 "[ . 1 . 2]" 1
264 1 49 ILE HA 1 70 ILE HA . . 4.210 2.340 2.206 2.453 . 0 0 "[ . 1 . 2]" 1
265 1 49 ILE HA 1 71 SER H . . 4.040 2.176 2.004 2.497 . 0 0 "[ . 1 . 2]" 1
266 1 49 ILE HA 1 72 ARG H . . 4.840 4.344 4.194 4.489 . 0 0 "[ . 1 . 2]" 1
267 1 49 ILE HB 1 50 ARG H . . 3.690 2.364 2.064 2.505 . 0 0 "[ . 1 . 2]" 1
268 1 49 ILE HB 1 69 PHE H . . 4.700 3.858 3.622 3.973 . 0 0 "[ . 1 . 2]" 1
269 1 50 ARG H 1 50 ARG HD2 . . 5.210 4.830 4.413 5.047 . 0 0 "[ . 1 . 2]" 1
270 1 50 ARG H 1 50 ARG QD . . 4.490 4.230 4.066 4.355 . 0 0 "[ . 1 . 2]" 1
271 1 50 ARG H 1 50 ARG HD3 . . 5.210 4.688 4.559 4.859 . 0 0 "[ . 1 . 2]" 1
272 1 50 ARG H 1 50 ARG HG2 . . 4.140 2.381 2.218 2.583 . 0 0 "[ . 1 . 2]" 1
273 1 50 ARG H 1 50 ARG HG3 . . 4.450 2.992 2.832 3.353 . 0 0 "[ . 1 . 2]" 1
274 1 50 ARG H 1 51 ASP H . . 4.950 4.328 4.298 4.355 . 0 0 "[ . 1 . 2]" 1
275 1 50 ARG H 1 68 ILE HA . . 5.180 4.366 4.127 4.635 . 0 0 "[ . 1 . 2]" 1
276 1 50 ARG H 1 69 PHE H . . 4.130 2.932 2.798 3.101 . 0 0 "[ . 1 . 2]" 1
277 1 50 ARG H 1 69 PHE QB . . 5.230 3.635 3.439 3.813 . 0 0 "[ . 1 . 2]" 1
278 1 50 ARG H 1 69 PHE QD . . 5.500 4.963 4.746 5.133 . 0 0 "[ . 1 . 2]" 1
279 1 50 ARG H 1 70 ILE H . . 5.090 4.762 4.654 4.831 . 0 0 "[ . 1 . 2]" 1
280 1 50 ARG H 1 70 ILE HA . . 5.100 3.583 3.442 3.703 . 0 0 "[ . 1 . 2]" 1
281 1 50 ARG H 1 71 SER H . . 4.720 3.675 3.431 3.797 . 0 0 "[ . 1 . 2]" 1
282 1 50 ARG H 1 71 SER HB2 . . 5.190 3.335 3.041 5.195 0.005 9 0 "[ . 1 . 2]" 1
283 1 50 ARG H 1 71 SER QB . . 4.520 3.187 2.992 3.398 . 0 0 "[ . 1 . 2]" 1
284 1 50 ARG H 1 71 SER HB3 . . 5.190 4.543 3.445 4.786 . 0 0 "[ . 1 . 2]" 1
285 1 50 ARG HA 1 50 ARG HD2 . . 5.500 4.854 4.753 4.941 . 0 0 "[ . 1 . 2]" 1
286 1 50 ARG HA 1 50 ARG QD . . 4.760 4.367 4.199 4.529 . 0 0 "[ . 1 . 2]" 1
287 1 50 ARG HA 1 50 ARG HD3 . . 5.500 5.038 4.567 5.525 0.025 2 0 "[ . 1 . 2]" 1
288 1 50 ARG HA 1 51 ASP H . . 3.240 2.458 2.288 2.663 . 0 0 "[ . 1 . 2]" 1
289 1 50 ARG HA 1 51 ASP QB . . 5.100 4.111 4.009 4.239 . 0 0 "[ . 1 . 2]" 1
290 1 50 ARG HB2 1 51 ASP H . . 3.710 2.169 1.983 2.323 . 0 0 "[ . 1 . 2]" 1
291 1 50 ARG HB2 1 71 SER QB . . 5.200 3.712 3.557 3.891 . 0 0 "[ . 1 . 2]" 1
292 1 50 ARG HB3 1 50 ARG QD . . 3.670 2.402 2.261 2.559 . 0 0 "[ . 1 . 2]" 1
293 1 50 ARG HB3 1 51 ASP H . . 3.930 3.576 3.460 3.654 . 0 0 "[ . 1 . 2]" 1
294 1 50 ARG HB3 1 71 SER HA . . 4.150 3.305 2.907 4.025 . 0 0 "[ . 1 . 2]" 1
295 1 50 ARG HB3 1 71 SER HB2 . . 4.800 2.139 1.950 3.234 . 0 0 "[ . 1 . 2]" 1
296 1 50 ARG HB3 1 71 SER QB . . 4.150 2.066 1.941 2.215 . 0 0 "[ . 1 . 2]" 1
297 1 50 ARG HB3 1 71 SER HB3 . . 4.800 3.642 1.998 3.924 . 0 0 "[ . 1 . 2]" 1
298 1 50 ARG QD 1 51 ASP H . . 4.430 4.311 4.144 4.507 0.077 2 0 "[ . 1 . 2]" 1
299 1 50 ARG QD 1 71 SER HA . . 3.650 2.435 1.992 3.051 . 0 0 "[ . 1 . 2]" 1
300 1 50 ARG QD 1 71 SER QB . . 3.890 3.193 2.676 3.713 . 0 0 "[ . 1 . 2]" 1
301 1 50 ARG HD2 1 51 ASP H . . 5.050 4.662 4.388 5.050 0.000 2 0 "[ . 1 . 2]" 1
302 1 50 ARG HD2 1 71 SER HA . . 4.380 3.319 2.031 3.914 . 0 0 "[ . 1 . 2]" 1
303 1 50 ARG HD3 1 51 ASP H . . 5.050 5.097 5.067 5.116 0.066 5 0 "[ . 1 . 2]" 1
304 1 50 ARG HD3 1 71 SER HA . . 4.380 2.820 2.099 3.761 . 0 0 "[ . 1 . 2]" 1
305 1 50 ARG HG2 1 51 ASP H . . 4.860 4.499 4.131 4.688 . 0 0 "[ . 1 . 2]" 1
306 1 50 ARG HG2 1 69 PHE H . . 4.700 3.678 3.295 3.930 . 0 0 "[ . 1 . 2]" 1
307 1 50 ARG HG2 1 69 PHE QB . . 4.760 2.621 2.449 2.749 . 0 0 "[ . 1 . 2]" 1
308 1 50 ARG HG2 1 69 PHE QD . . 4.560 4.548 4.394 4.609 0.049 20 0 "[ . 1 . 2]" 1
309 1 50 ARG HG2 1 70 ILE H . . 5.080 4.434 4.188 4.863 . 0 0 "[ . 1 . 2]" 1
310 1 50 ARG HG2 1 70 ILE HA . . 5.500 4.023 3.783 4.377 . 0 0 "[ . 1 . 2]" 1
311 1 50 ARG HG2 1 71 SER H . . 5.270 3.598 3.293 3.916 . 0 0 "[ . 1 . 2]" 1
312 1 50 ARG HG2 1 71 SER HB2 . . 4.690 2.861 2.538 3.909 . 0 0 "[ . 1 . 2]" 1
313 1 50 ARG HG2 1 71 SER QB . . 4.060 2.751 2.382 3.070 . 0 0 "[ . 1 . 2]" 1
314 1 50 ARG HG2 1 71 SER HB3 . . 4.690 4.204 2.403 4.641 . 0 0 "[ . 1 . 2]" 1
315 1 50 ARG HG3 1 51 ASP H . . 4.450 3.436 2.955 3.783 . 0 0 "[ . 1 . 2]" 1
316 1 50 ARG HG3 1 69 PHE H . . 4.690 3.007 2.712 3.657 . 0 0 "[ . 1 . 2]" 1
317 1 50 ARG HG3 1 69 PHE HB2 . . 5.370 2.115 1.935 2.534 . 0 0 "[ . 1 . 2]" 1
318 1 50 ARG HG3 1 69 PHE QB . . 4.530 2.102 1.926 2.508 . 0 0 "[ . 1 . 2]" 1
319 1 50 ARG HG3 1 69 PHE HB3 . . 5.370 3.701 3.477 4.053 . 0 0 "[ . 1 . 2]" 1
320 1 50 ARG HG3 1 69 PHE QD . . 4.490 3.345 3.065 3.687 . 0 0 "[ . 1 . 2]" 1
321 1 50 ARG HG3 1 71 SER QB . . 4.830 4.108 3.834 4.343 . 0 0 "[ . 1 . 2]" 1
322 1 51 ASP H 1 51 ASP QB . . 3.390 2.793 2.349 2.951 . 0 0 "[ . 1 . 2]" 1
323 1 51 ASP H 1 69 PHE QD . . 5.500 5.149 4.784 5.520 0.020 4 0 "[ . 1 . 2]" 1
324 1 51 ASP HA 1 52 GLY H . . 3.340 2.303 2.157 2.390 . 0 0 "[ . 1 . 2]" 1
325 1 51 ASP HA 1 67 GLY H . . 4.890 4.793 4.094 4.922 0.032 18 0 "[ . 1 . 2]" 1
326 1 51 ASP HA 1 68 ILE HA . . 4.490 2.693 2.405 2.940 . 0 0 "[ . 1 . 2]" 1
327 1 51 ASP HA 1 69 PHE H . . 4.210 3.345 2.922 3.723 . 0 0 "[ . 1 . 2]" 1
328 1 51 ASP QB 1 52 GLY H . . 3.840 2.665 2.429 3.578 . 0 0 "[ . 1 . 2]" 1
329 1 51 ASP QB 1 67 GLY H . . 5.030 4.915 4.672 5.106 0.076 9 0 "[ . 1 . 2]" 1
330 1 51 ASP QB 1 104 LEU H . . 5.240 4.615 4.384 4.989 . 0 0 "[ . 1 . 2]" 1
331 1 51 ASP QB 1 104 LEU QB . . 4.740 4.268 4.010 4.690 . 0 0 "[ . 1 . 2]" 1
332 1 52 GLY H 1 68 ILE HA . . 5.020 3.936 3.643 4.374 . 0 0 "[ . 1 . 2]" 1
333 1 52 GLY H 1 69 PHE QD . . 4.380 3.559 2.968 4.103 . 0 0 "[ . 1 . 2]" 1
334 1 52 GLY H 1 69 PHE QE . . 4.530 3.778 3.141 4.545 0.015 14 0 "[ . 1 . 2]" 1
335 1 52 GLY HA2 1 69 PHE QD . . 4.630 4.804 4.471 5.412 0.782 3 3 "[ + . - 1 * 2]" 1
336 1 52 GLY HA2 1 69 PHE QE . . 4.140 4.418 3.856 5.117 0.977 3 4 "[ + . * 1 -* 2]" 1
337 1 52 GLY HA3 1 67 GLY H . . 4.800 4.472 4.025 4.799 . 0 0 "[ . 1 . 2]" 1
338 1 52 GLY HA3 1 69 PHE QD . . 4.110 3.335 2.889 3.989 . 0 0 "[ . 1 . 2]" 1
339 1 52 GLY HA3 1 69 PHE QE . . 3.880 3.010 2.447 3.699 . 0 0 "[ . 1 . 2]" 1
340 1 53 THR H 1 54 SER H . . 5.270 4.330 4.216 4.463 . 0 0 "[ . 1 . 2]" 1
341 1 53 THR H 1 69 PHE QD . . 5.500 4.975 4.495 5.543 0.043 7 0 "[ . 1 . 2]" 1
342 1 53 THR HA 1 54 SER H . . 3.270 2.119 2.029 2.185 . 0 0 "[ . 1 . 2]" 1
343 1 53 THR HA 1 54 SER QB . . 4.560 3.935 3.783 4.081 . 0 0 "[ . 1 . 2]" 1
344 1 53 THR HA 1 69 PHE QE . . 4.450 3.766 3.500 4.207 . 0 0 "[ . 1 . 2]" 1
345 1 53 THR HB 1 54 SER H . . 4.390 3.429 2.812 4.100 . 0 0 "[ . 1 . 2]" 1
346 1 53 THR HB 1 64 LYS QB . . 4.170 3.207 2.142 4.190 0.020 15 0 "[ . 1 . 2]" 1
347 1 53 THR HB 1 64 LYS QG . . 5.200 4.425 1.918 5.332 0.132 6 0 "[ . 1 . 2]" 1
348 1 53 THR HB 1 65 GLN H . . 4.980 4.193 3.148 5.081 0.101 10 0 "[ . 1 . 2]" 1
349 1 54 SER H 1 54 SER QB . . 3.390 2.337 2.234 2.440 . 0 0 "[ . 1 . 2]" 1
350 1 54 SER H 1 65 GLN H . . 3.940 2.849 2.622 3.090 . 0 0 "[ . 1 . 2]" 1
351 1 54 SER H 1 67 GLY H . . 4.510 3.219 2.824 3.690 . 0 0 "[ . 1 . 2]" 1
352 1 54 SER H 1 69 PHE QE . . 5.020 3.910 3.494 4.439 . 0 0 "[ . 1 . 2]" 1
353 1 54 SER HA 1 55 VAL H . . 3.190 2.241 2.148 2.310 . 0 0 "[ . 1 . 2]" 1
354 1 54 SER HA 1 69 PHE QE . . 4.700 3.535 3.221 3.776 . 0 0 "[ . 1 . 2]" 1
355 1 54 SER QB 1 55 VAL H . . 3.600 3.542 3.453 3.632 0.032 17 0 "[ . 1 . 2]" 1
356 1 54 SER QB 1 65 GLN H . . 4.090 3.609 3.101 4.065 . 0 0 "[ . 1 . 2]" 1
357 1 54 SER QB 1 67 GLY HA3 . . 4.730 2.295 1.902 2.777 . 0 0 "[ . 1 . 2]" 1
358 1 54 SER QB 1 68 ILE H . . 4.970 4.483 3.828 4.965 . 0 0 "[ . 1 . 2]" 1
359 1 54 SER QB 1 69 PHE QE . . 4.040 3.105 2.511 3.918 . 0 0 "[ . 1 . 2]" 1
360 1 55 VAL H 1 55 VAL HB . . 3.650 2.737 2.485 3.043 . 0 0 "[ . 1 . 2]" 1
361 1 55 VAL H 1 56 ARG H . . 5.280 4.312 4.150 4.438 . 0 0 "[ . 1 . 2]" 1
362 1 55 VAL H 1 69 PHE QE . . 5.300 5.024 4.729 5.363 0.063 14 0 "[ . 1 . 2]" 1
363 1 55 VAL HA 1 64 LYS HA . . 4.980 2.630 2.194 3.127 . 0 0 "[ . 1 . 2]" 1
364 1 55 VAL HA 1 64 LYS QB . . 4.970 4.297 3.744 5.008 0.038 13 0 "[ . 1 . 2]" 1
365 1 55 VAL HA 1 64 LYS QG . . 4.890 3.627 2.217 4.566 . 0 0 "[ . 1 . 2]" 1
366 1 55 VAL HA 1 65 GLN H . . 4.290 3.745 3.144 4.170 . 0 0 "[ . 1 . 2]" 1
367 1 55 VAL HB 1 56 ARG H . . 4.280 4.210 3.994 4.288 0.008 5 0 "[ . 1 . 2]" 1
368 1 55 VAL HB 1 64 LYS QE . . 4.560 4.177 2.448 4.675 0.115 6 0 "[ . 1 . 2]" 1
369 1 56 ARG H 1 56 ARG QD . . 4.840 4.394 4.137 4.608 . 0 0 "[ . 1 . 2]" 1
370 1 56 ARG H 1 56 ARG HG3 . . 4.320 4.331 4.228 4.434 0.114 1 0 "[ . 1 . 2]" 1
371 1 56 ARG H 1 63 GLU H . . 4.490 2.935 2.739 3.268 . 0 0 "[ . 1 . 2]" 1
372 1 56 ARG H 1 64 LYS HA . . 4.490 3.342 2.946 3.848 . 0 0 "[ . 1 . 2]" 1
373 1 56 ARG HA 1 56 ARG HD2 . . 4.720 2.740 2.001 3.872 . 0 0 "[ . 1 . 2]" 1
374 1 56 ARG HA 1 56 ARG QD . . 3.880 2.130 1.936 2.845 . 0 0 "[ . 1 . 2]" 1
375 1 56 ARG HA 1 56 ARG HD3 . . 4.720 2.642 1.968 3.052 . 0 0 "[ . 1 . 2]" 1
376 1 56 ARG HA 1 56 ARG HG3 . . 3.810 3.199 2.808 3.761 . 0 0 "[ . 1 . 2]" 1
377 1 56 ARG HA 1 57 VAL H . . 3.020 2.169 2.106 2.256 . 0 0 "[ . 1 . 2]" 1
378 1 56 ARG HB2 1 56 ARG HD2 . . 4.090 3.324 3.017 3.715 . 0 0 "[ . 1 . 2]" 1
379 1 56 ARG HB2 1 56 ARG QD . . 3.260 2.638 2.361 3.305 0.045 1 0 "[ . 1 . 2]" 1
380 1 56 ARG HB2 1 56 ARG HD3 . . 4.090 2.787 2.451 3.789 . 0 0 "[ . 1 . 2]" 1
381 1 56 ARG HB3 1 56 ARG HG3 . . 3.000 2.426 2.332 2.495 . 0 0 "[ . 1 . 2]" 1
382 1 56 ARG HB3 1 63 GLU H . . 5.120 3.501 3.232 3.959 . 0 0 "[ . 1 . 2]" 1
383 1 56 ARG HB3 1 63 GLU QB . . 4.130 3.388 2.077 4.270 0.140 12 0 "[ . 1 . 2]" 1
384 1 56 ARG HB3 1 63 GLU QG . . 4.720 2.779 1.866 4.373 . 0 0 "[ . 1 . 2]" 1
385 1 56 ARG QD 1 57 VAL H . . 4.810 2.482 1.957 3.000 . 0 0 "[ . 1 . 2]" 1
386 1 56 ARG QD 1 57 VAL HB . . 4.700 4.509 3.971 4.803 0.103 16 0 "[ . 1 . 2]" 1
387 1 56 ARG HG3 1 63 GLU QG . . 4.570 3.753 2.822 4.634 0.064 14 0 "[ . 1 . 2]" 1
388 1 57 VAL HA 1 58 THR H . . 2.990 2.125 2.075 2.166 . 0 0 "[ . 1 . 2]" 1
389 1 57 VAL HA 1 62 LEU HA . . 3.660 2.480 1.985 2.962 . 0 0 "[ . 1 . 2]" 1
390 1 57 VAL HA 1 63 GLU H . . 4.640 3.524 3.008 3.949 . 0 0 "[ . 1 . 2]" 1
391 1 57 VAL HB 1 58 THR H . . 4.630 4.257 4.105 4.344 . 0 0 "[ . 1 . 2]" 1
392 1 58 THR H 1 61 GLY H . . 4.000 3.072 2.779 3.281 . 0 0 "[ . 1 . 2]" 1
393 1 58 THR HB 1 59 ALA H . . 4.790 2.043 1.838 2.277 . 0 0 "[ . 1 . 2]" 1
394 1 58 THR HB 1 59 ALA MB . . 4.180 3.714 3.493 3.814 . 0 0 "[ . 1 . 2]" 1
395 1 58 THR HB 1 60 SER H . . 3.700 2.591 2.405 2.914 . 0 0 "[ . 1 . 2]" 1
396 1 58 THR HB 1 61 GLY H . . 3.880 3.902 3.758 3.964 0.084 8 0 "[ . 1 . 2]" 1
397 1 59 ALA HA 1 61 GLY H . . 4.010 3.780 3.490 4.037 0.027 4 0 "[ . 1 . 2]" 1
398 1 59 ALA MB 1 60 SER H . . 4.280 2.944 2.753 3.034 . 0 0 "[ . 1 . 2]" 1
399 1 59 ALA MB 1 61 GLY H . . 4.960 4.401 4.219 4.538 . 0 0 "[ . 1 . 2]" 1
400 1 60 SER H 1 61 GLY H . . 3.670 2.341 2.220 2.507 . 0 0 "[ . 1 . 2]" 1
401 1 60 SER QB 1 61 GLY H . . 5.240 3.233 2.821 3.866 . 0 0 "[ . 1 . 2]" 1
402 1 61 GLY H 1 62 LEU H . . 4.550 4.384 4.219 4.468 . 0 0 "[ . 1 . 2]" 1
403 1 61 GLY QA 1 62 LEU H . . 3.050 2.186 2.105 2.272 . 0 0 "[ . 1 . 2]" 1
404 1 62 LEU H 1 62 LEU HB2 . . 4.010 3.280 2.425 3.749 . 0 0 "[ . 1 . 2]" 1
405 1 62 LEU H 1 62 LEU QB . . 3.250 2.660 2.392 2.969 . 0 0 "[ . 1 . 2]" 1
406 1 62 LEU H 1 62 LEU HB3 . . 4.010 3.150 2.569 3.689 . 0 0 "[ . 1 . 2]" 1
407 1 62 LEU HA 1 63 GLU H . . 3.260 2.099 1.939 2.206 . 0 0 "[ . 1 . 2]" 1
408 1 62 LEU HB2 1 63 GLU H . . 4.410 3.447 2.868 4.290 . 0 0 "[ . 1 . 2]" 1
409 1 62 LEU HB3 1 63 GLU H . . 4.410 3.735 2.791 4.293 . 0 0 "[ . 1 . 2]" 1
410 1 63 GLU H 1 63 GLU HB2 . . 4.130 3.303 2.189 3.841 . 0 0 "[ . 1 . 2]" 1
411 1 63 GLU H 1 63 GLU QB . . 3.590 2.750 2.169 3.100 . 0 0 "[ . 1 . 2]" 1
412 1 63 GLU H 1 63 GLU HB3 . . 4.130 3.266 2.442 3.752 . 0 0 "[ . 1 . 2]" 1
413 1 63 GLU H 1 63 GLU HG2 . . 4.810 2.913 2.239 4.261 . 0 0 "[ . 1 . 2]" 1
414 1 63 GLU H 1 63 GLU QG . . 4.180 2.586 2.191 3.942 . 0 0 "[ . 1 . 2]" 1
415 1 63 GLU H 1 63 GLU HG3 . . 4.810 3.253 2.824 4.646 . 0 0 "[ . 1 . 2]" 1
416 1 63 GLU H 1 64 LYS H . . 4.450 4.324 4.145 4.394 . 0 0 "[ . 1 . 2]" 1
417 1 63 GLU HA 1 64 LYS H . . 2.950 2.185 2.020 2.269 . 0 0 "[ . 1 . 2]" 1
418 1 63 GLU QB 1 64 LYS H . . 3.220 2.917 2.667 3.423 0.203 7 0 "[ . 1 . 2]" 1
419 1 63 GLU QG 1 64 LYS H . . 4.030 3.890 2.334 4.177 0.147 11 0 "[ . 1 . 2]" 1
420 1 64 LYS HA 1 65 GLN H . . 3.100 2.142 2.037 2.245 . 0 0 "[ . 1 . 2]" 1
421 1 64 LYS QB 1 64 LYS QE . . 3.090 2.213 1.910 3.198 0.108 6 0 "[ . 1 . 2]" 1
422 1 64 LYS QB 1 65 GLN H . . 4.070 3.086 2.857 3.657 . 0 0 "[ . 1 . 2]" 1
423 1 64 LYS QE 1 64 LYS QG . . 3.430 2.479 2.307 2.837 . 0 0 "[ . 1 . 2]" 1
424 1 65 GLN H 1 65 GLN QB . . 3.640 2.963 2.550 3.216 . 0 0 "[ . 1 . 2]" 1
425 1 65 GLN H 1 65 GLN QG . . 4.080 2.465 2.091 3.038 . 0 0 "[ . 1 . 2]" 1
426 1 65 GLN HA 1 66 PRO HD2 . . 3.380 2.879 2.382 3.146 . 0 0 "[ . 1 . 2]" 1
427 1 65 GLN HA 1 66 PRO HD3 . . 3.380 2.076 2.001 2.342 . 0 0 "[ . 1 . 2]" 1
428 1 65 GLN QB 1 66 PRO QD . . 3.330 2.326 2.101 2.705 . 0 0 "[ . 1 . 2]" 1
429 1 65 GLN HB2 1 66 PRO HD2 . . 4.360 2.800 2.177 3.995 . 0 0 "[ . 1 . 2]" 1
430 1 65 GLN HB2 1 66 PRO HD3 . . 4.360 3.542 2.906 4.384 0.024 3 0 "[ . 1 . 2]" 1
431 1 65 GLN HB3 1 66 PRO HD2 . . 4.360 3.480 2.214 4.034 . 0 0 "[ . 1 . 2]" 1
432 1 65 GLN HB3 1 66 PRO HD3 . . 4.360 3.835 2.919 4.382 0.022 12 0 "[ . 1 . 2]" 1
433 1 66 PRO HA 1 67 GLY H . . 3.150 2.153 2.097 2.213 . 0 0 "[ . 1 . 2]" 1
434 1 66 PRO HA 1 67 GLY HA3 . . 4.910 4.364 4.324 4.398 . 0 0 "[ . 1 . 2]" 1
435 1 66 PRO QB 1 67 GLY H . . 3.800 3.498 3.360 3.598 . 0 0 "[ . 1 . 2]" 1
436 1 66 PRO HB2 1 67 GLY H . . 4.360 4.014 3.823 4.097 . 0 0 "[ . 1 . 2]" 1
437 1 66 PRO HB3 1 67 GLY H . . 4.360 3.859 3.682 4.183 . 0 0 "[ . 1 . 2]" 1
438 1 67 GLY H 1 69 PHE QE . . 4.500 3.489 3.258 3.889 . 0 0 "[ . 1 . 2]" 1
439 1 67 GLY HA2 1 69 PHE QE . . 4.990 4.552 4.217 4.931 . 0 0 "[ . 1 . 2]" 1
440 1 67 GLY HA3 1 69 PHE QE . . 4.550 2.972 2.552 3.476 . 0 0 "[ . 1 . 2]" 1
441 1 68 ILE H 1 68 ILE HB . . 4.010 2.613 2.563 2.687 . 0 0 "[ . 1 . 2]" 1
442 1 68 ILE H 1 69 PHE QD . . 5.210 4.537 4.221 4.982 . 0 0 "[ . 1 . 2]" 1
443 1 68 ILE HB 1 69 PHE HA . . 4.970 4.713 4.644 4.798 . 0 0 "[ . 1 . 2]" 1
444 1 68 ILE HB 1 99 VAL HB . . 5.150 3.617 3.250 4.772 . 0 0 "[ . 1 . 2]" 1
445 1 68 ILE HG12 1 99 VAL HB . . 4.990 3.314 2.757 4.113 . 0 0 "[ . 1 . 2]" 1
446 1 69 PHE H 1 69 PHE QD . . 3.890 2.589 2.427 2.781 . 0 0 "[ . 1 . 2]" 1
447 1 69 PHE HA 1 69 PHE QD . . 3.970 3.144 3.003 3.217 . 0 0 "[ . 1 . 2]" 1
448 1 69 PHE HA 1 90 GLU H . . 5.500 4.621 4.423 4.862 . 0 0 "[ . 1 . 2]" 1
449 1 69 PHE HA 1 90 GLU HA . . 3.650 1.904 1.799 2.005 . 0 0 "[ . 1 . 2]" 1
450 1 69 PHE HA 1 91 VAL H . . 4.400 2.870 2.495 3.029 . 0 0 "[ . 1 . 2]" 1
451 1 69 PHE QB 1 70 ILE H . . 4.080 2.477 2.341 2.661 . 0 0 "[ . 1 . 2]" 1
452 1 69 PHE QB 1 90 GLU HA . . 4.260 3.584 3.276 3.722 . 0 0 "[ . 1 . 2]" 1
453 1 69 PHE HB2 1 90 GLU HA . . 4.990 4.742 4.485 4.882 . 0 0 "[ . 1 . 2]" 1
454 1 69 PHE HB3 1 90 GLU HA . . 4.990 3.709 3.367 3.870 . 0 0 "[ . 1 . 2]" 1
455 1 69 PHE QD 1 70 ILE H . . 4.920 3.858 3.720 4.094 . 0 0 "[ . 1 . 2]" 1
456 1 69 PHE QD 1 88 ASN HA . . 4.750 3.924 3.466 4.388 . 0 0 "[ . 1 . 2]" 1
457 1 69 PHE QD 1 88 ASN QB . . 4.430 4.502 4.437 4.567 0.137 12 0 "[ . 1 . 2]" 1
458 1 69 PHE QD 1 90 GLU H . . 5.350 4.268 3.976 4.663 . 0 0 "[ . 1 . 2]" 1
459 1 69 PHE QD 1 91 VAL H . . 5.320 5.131 4.817 5.333 0.013 1 0 "[ . 1 . 2]" 1
460 1 69 PHE QD 1 125 ALA MB . . 4.670 3.832 2.893 4.523 . 0 0 "[ . 1 . 2]" 1
461 1 70 ILE H 1 70 ILE HB . . 3.830 2.434 2.378 2.490 . 0 0 "[ . 1 . 2]" 1
462 1 70 ILE H 1 70 ILE HG12 . . 3.990 3.502 3.381 3.597 . 0 0 "[ . 1 . 2]" 1
463 1 70 ILE H 1 71 SER H . . 5.160 4.503 4.476 4.523 . 0 0 "[ . 1 . 2]" 1
464 1 70 ILE H 1 90 GLU HA . . 3.830 2.851 2.521 3.211 . 0 0 "[ . 1 . 2]" 1
465 1 70 ILE HA 1 90 GLU HA . . 5.500 5.127 4.770 5.531 0.031 4 0 "[ . 1 . 2]" 1
466 1 70 ILE HB 1 87 VAL HA . . 4.450 2.503 1.883 3.184 . 0 0 "[ . 1 . 2]" 1
467 1 70 ILE HB 1 88 ASN H . . 4.750 4.594 4.363 4.746 . 0 0 "[ . 1 . 2]" 1
468 1 70 ILE HB 1 88 ASN HA . . 4.950 4.729 4.202 5.019 0.069 3 0 "[ . 1 . 2]" 1
469 1 70 ILE HB 1 89 ASP H . . 4.120 3.710 3.430 3.984 . 0 0 "[ . 1 . 2]" 1
470 1 70 ILE HG12 1 89 ASP HB2 . . 4.970 4.934 4.547 5.054 0.084 1 0 "[ . 1 . 2]" 1
471 1 71 SER H 1 72 ARG H . . 3.660 2.379 2.184 2.592 . 0 0 "[ . 1 . 2]" 1
472 1 71 SER HB2 1 72 ARG H . . 4.950 3.824 3.681 3.949 . 0 0 "[ . 1 . 2]" 1
473 1 71 SER HB3 1 72 ARG H . . 4.950 2.596 2.283 3.987 . 0 0 "[ . 1 . 2]" 1
474 1 72 ARG H 1 72 ARG HG2 . . 4.970 4.568 4.455 4.627 . 0 0 "[ . 1 . 2]" 1
475 1 72 ARG H 1 72 ARG HG3 . . 4.970 4.849 4.787 4.886 . 0 0 "[ . 1 . 2]" 1
476 1 72 ARG H 1 73 LEU H . . 4.860 4.222 4.167 4.264 . 0 0 "[ . 1 . 2]" 1
477 1 72 ARG HA 1 72 ARG QD . . 4.700 4.147 3.968 4.298 . 0 0 "[ . 1 . 2]" 1
478 1 72 ARG HA 1 72 ARG HG2 . . 4.110 3.161 3.018 3.312 . 0 0 "[ . 1 . 2]" 1
479 1 72 ARG HA 1 72 ARG HG3 . . 4.110 2.640 2.513 2.723 . 0 0 "[ . 1 . 2]" 1
480 1 72 ARG HA 1 73 LEU H . . 3.270 2.333 2.227 2.401 . 0 0 "[ . 1 . 2]" 1
481 1 72 ARG QB 1 72 ARG QG . . 2.250 2.085 2.078 2.093 . 0 0 "[ . 1 . 2]" 1
482 1 72 ARG QB 1 73 LEU H . . 4.160 3.516 3.442 3.636 . 0 0 "[ . 1 . 2]" 1
483 1 72 ARG QG 1 73 LEU H . . 3.660 2.345 2.166 2.611 . 0 0 "[ . 1 . 2]" 1
484 1 72 ARG HG2 1 73 LEU H . . 4.260 2.514 2.283 2.862 . 0 0 "[ . 1 . 2]" 1
485 1 72 ARG HG3 1 73 LEU H . . 4.260 2.830 2.588 3.063 . 0 0 "[ . 1 . 2]" 1
486 1 73 LEU H 1 73 LEU HB3 . . 3.730 3.616 3.524 3.717 . 0 0 "[ . 1 . 2]" 1
487 1 73 LEU H 1 73 LEU HG . . 4.250 3.858 2.822 4.264 0.014 14 0 "[ . 1 . 2]" 1
488 1 73 LEU HB2 1 74 VAL H . . 4.710 3.999 3.837 4.113 . 0 0 "[ . 1 . 2]" 1
489 1 73 LEU HB2 1 80 GLU HA . . 5.250 4.121 3.529 4.499 . 0 0 "[ . 1 . 2]" 1
490 1 73 LEU HB2 1 80 GLU QG . . 4.940 3.102 2.489 3.800 . 0 0 "[ . 1 . 2]" 1
491 1 73 LEU HB3 1 74 VAL H . . 3.850 2.851 2.593 2.993 . 0 0 "[ . 1 . 2]" 1
492 1 73 LEU HB3 1 80 GLU HB2 . . 4.960 1.989 1.871 2.236 . 0 0 "[ . 1 . 2]" 1
493 1 73 LEU HB3 1 80 GLU QG . . 5.110 2.855 2.110 3.748 . 0 0 "[ . 1 . 2]" 1
494 1 73 LEU HG 1 79 ALA MB . . 4.260 3.948 3.337 4.295 0.035 9 0 "[ . 1 . 2]" 1
495 1 74 VAL HA 1 75 PRO QD . . 2.790 1.972 1.901 2.050 . 0 0 "[ . 1 . 2]" 1
496 1 75 PRO HA 1 76 GLY H . . 3.290 2.145 2.082 2.181 . 0 0 "[ . 1 . 2]" 1
497 1 75 PRO HA 1 77 GLY H . . 4.600 3.365 3.255 3.571 . 0 0 "[ . 1 . 2]" 1
498 1 76 GLY H 1 77 GLY H . . 4.140 2.462 2.350 2.675 . 0 0 "[ . 1 . 2]" 1
499 1 76 GLY H 1 80 GLU HB2 . . 4.770 4.358 4.222 4.581 . 0 0 "[ . 1 . 2]" 1
500 1 76 GLY H 1 80 GLU HB3 . . 4.440 3.152 2.907 3.448 . 0 0 "[ . 1 . 2]" 1
501 1 77 GLY H 1 78 LEU H . . 5.250 4.569 4.518 4.634 . 0 0 "[ . 1 . 2]" 1
502 1 77 GLY H 1 80 GLU H . . 5.220 4.145 3.932 4.371 . 0 0 "[ . 1 . 2]" 1
503 1 77 GLY H 1 80 GLU HB3 . . 4.560 2.603 2.218 3.039 . 0 0 "[ . 1 . 2]" 1
504 1 77 GLY QA 1 79 ALA H . . 5.050 3.649 3.370 3.815 . 0 0 "[ . 1 . 2]" 1
505 1 77 GLY QA 1 80 GLU H . . 4.860 3.517 3.313 3.632 . 0 0 "[ . 1 . 2]" 1
506 1 77 GLY QA 1 80 GLU HB3 . . 4.600 3.469 3.172 3.779 . 0 0 "[ . 1 . 2]" 1
507 1 78 LEU H 1 78 LEU HB3 . . 3.570 2.548 2.445 2.636 . 0 0 "[ . 1 . 2]" 1
508 1 78 LEU H 1 78 LEU HG . . 4.360 4.411 4.393 4.431 0.071 13 0 "[ . 1 . 2]" 1
509 1 78 LEU H 1 79 ALA H . . 4.070 2.954 2.788 3.038 . 0 0 "[ . 1 . 2]" 1
510 1 78 LEU HA 1 78 LEU HG . . 4.240 2.968 2.544 3.208 . 0 0 "[ . 1 . 2]" 1
511 1 78 LEU HA 1 81 SER QB . . 3.750 2.810 2.188 3.578 . 0 0 "[ . 1 . 2]" 1
512 1 78 LEU HA 1 82 THR H . . 4.450 4.106 3.803 4.361 . 0 0 "[ . 1 . 2]" 1
513 1 78 LEU HB2 1 79 ALA H . . 4.490 3.873 3.544 4.165 . 0 0 "[ . 1 . 2]" 1
514 1 78 LEU HB3 1 79 ALA H . . 3.330 2.565 2.106 3.016 . 0 0 "[ . 1 . 2]" 1
515 1 78 LEU HB3 1 79 ALA MB . . 4.410 3.783 3.324 4.100 . 0 0 "[ . 1 . 2]" 1
516 1 78 LEU HG 1 82 THR H . . 5.090 4.705 4.252 5.137 0.047 7 0 "[ . 1 . 2]" 1
517 1 79 ALA H 1 79 ALA MB . . 3.200 2.222 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
518 1 79 ALA H 1 80 GLU H . . 4.260 2.459 2.377 2.622 . 0 0 "[ . 1 . 2]" 1
519 1 79 ALA HA 1 82 THR H . . 5.130 3.540 3.218 3.763 . 0 0 "[ . 1 . 2]" 1
520 1 79 ALA HA 1 83 GLY H . . 5.160 3.975 3.697 4.626 . 0 0 "[ . 1 . 2]" 1
521 1 79 ALA HA 1 84 LEU H . . 5.230 4.014 3.655 4.732 . 0 0 "[ . 1 . 2]" 1
522 1 79 ALA HA 1 85 LEU H . . 5.490 4.410 3.785 5.220 . 0 0 "[ . 1 . 2]" 1
523 1 79 ALA MB 1 80 GLU H . . 4.090 2.725 2.591 2.861 . 0 0 "[ . 1 . 2]" 1
524 1 79 ALA MB 1 80 GLU HA . . 4.410 3.907 3.805 4.023 . 0 0 "[ . 1 . 2]" 1
525 1 79 ALA MB 1 81 SER H . . 4.690 4.637 4.436 4.731 0.041 17 0 "[ . 1 . 2]" 1
526 1 79 ALA MB 1 85 LEU H . . 4.980 3.756 3.378 4.233 . 0 0 "[ . 1 . 2]" 1
527 1 79 ALA MB 1 85 LEU QB . . 3.930 2.809 1.783 4.075 0.145 20 0 "[ . 1 . 2]" 1
528 1 79 ALA MB 1 85 LEU HG . . 3.840 3.268 1.907 3.969 0.129 18 0 "[ . 1 . 2]" 1
529 1 80 GLU H 1 80 GLU HB2 . . 4.190 2.432 2.301 2.693 . 0 0 "[ . 1 . 2]" 1
530 1 80 GLU H 1 80 GLU HB3 . . 3.970 2.464 2.384 2.562 . 0 0 "[ . 1 . 2]" 1
531 1 80 GLU H 1 80 GLU QG . . 4.980 3.978 3.935 4.040 . 0 0 "[ . 1 . 2]" 1
532 1 80 GLU H 1 81 SER H . . 4.030 2.466 2.389 2.531 . 0 0 "[ . 1 . 2]" 1
533 1 80 GLU HA 1 83 GLY H . . 4.670 3.578 3.233 3.777 . 0 0 "[ . 1 . 2]" 1
534 1 80 GLU HB2 1 81 SER H . . 4.350 3.685 3.484 3.894 . 0 0 "[ . 1 . 2]" 1
535 1 80 GLU HB3 1 81 SER H . . 3.770 2.415 2.148 2.737 . 0 0 "[ . 1 . 2]" 1
536 1 80 GLU QG 1 81 SER H . . 5.260 4.131 3.489 4.421 . 0 0 "[ . 1 . 2]" 1
537 1 81 SER H 1 81 SER QB . . 3.490 2.276 2.174 2.514 . 0 0 "[ . 1 . 2]" 1
538 1 81 SER H 1 82 THR H . . 3.850 2.705 2.585 2.855 . 0 0 "[ . 1 . 2]" 1
539 1 81 SER QB 1 82 THR H . . 4.340 2.732 2.383 2.961 . 0 0 "[ . 1 . 2]" 1
540 1 81 SER QB 1 83 GLY H . . 5.140 4.704 4.414 4.883 . 0 0 "[ . 1 . 2]" 1
541 1 82 THR H 1 83 GLY H . . 3.760 2.400 2.180 2.588 . 0 0 "[ . 1 . 2]" 1
542 1 82 THR H 1 83 GLY QA . . 5.090 4.276 4.070 4.456 . 0 0 "[ . 1 . 2]" 1
543 1 82 THR HB 1 83 GLY H . . 5.360 3.957 3.581 4.341 . 0 0 "[ . 1 . 2]" 1
544 1 82 THR HB 1 84 LEU H . . 4.980 4.003 2.712 5.028 0.048 11 0 "[ . 1 . 2]" 1
545 1 84 LEU H 1 84 LEU QB . . 3.440 2.434 2.207 2.638 . 0 0 "[ . 1 . 2]" 1
546 1 84 LEU H 1 85 LEU H . . 3.690 2.336 2.129 2.642 . 0 0 "[ . 1 . 2]" 1
547 1 84 LEU QB 1 85 LEU H . . 4.110 3.198 2.697 3.773 . 0 0 "[ . 1 . 2]" 1
548 1 85 LEU H 1 86 ALA H . . 5.080 4.369 4.175 4.558 . 0 0 "[ . 1 . 2]" 1
549 1 85 LEU HA 1 86 ALA H . . 3.380 2.290 2.117 2.436 . 0 0 "[ . 1 . 2]" 1
550 1 85 LEU QB 1 86 ALA H . . 4.240 2.776 2.443 3.432 . 0 0 "[ . 1 . 2]" 1
551 1 86 ALA H 1 86 ALA MB . . 3.490 2.411 2.291 2.529 . 0 0 "[ . 1 . 2]" 1
552 1 86 ALA H 1 89 ASP H . . 4.760 3.685 3.365 3.989 . 0 0 "[ . 1 . 2]" 1
553 1 86 ALA H 1 89 ASP HB2 . . 4.960 2.947 2.658 3.375 . 0 0 "[ . 1 . 2]" 1
554 1 86 ALA HA 1 87 VAL H . . 3.360 2.385 2.316 2.460 . 0 0 "[ . 1 . 2]" 1
555 1 86 ALA HA 1 87 VAL HA . . 5.360 4.282 4.217 4.357 . 0 0 "[ . 1 . 2]" 1
556 1 86 ALA MB 1 87 VAL H . . 3.370 2.385 2.250 2.583 . 0 0 "[ . 1 . 2]" 1
557 1 86 ALA MB 1 87 VAL HA . . 5.100 4.366 4.297 4.418 . 0 0 "[ . 1 . 2]" 1
558 1 87 VAL HA 1 88 ASN H . . 3.500 3.459 3.388 3.508 0.008 14 0 "[ . 1 . 2]" 1
559 1 87 VAL HA 1 89 ASP H . . 4.350 4.004 3.818 4.110 . 0 0 "[ . 1 . 2]" 1
560 1 87 VAL HB 1 88 ASN H . . 4.610 3.421 2.691 4.012 . 0 0 "[ . 1 . 2]" 1
561 1 88 ASN H 1 89 ASP H . . 4.120 2.509 2.378 2.665 . 0 0 "[ . 1 . 2]" 1
562 1 88 ASN QB 1 125 ALA H . . 5.230 3.891 3.296 4.456 . 0 0 "[ . 1 . 2]" 1
563 1 88 ASN QB 1 126 ASN H . . 5.330 4.597 3.635 5.365 0.035 20 0 "[ . 1 . 2]" 1
564 1 88 ASN HB2 1 125 ALA MB . . 3.730 2.900 2.048 3.754 0.024 4 0 "[ . 1 . 2]" 1
565 1 88 ASN HB3 1 125 ALA MB . . 3.730 2.470 2.186 3.055 . 0 0 "[ . 1 . 2]" 1
566 1 89 ASP H 1 89 ASP HB2 . . 3.720 2.547 2.485 2.624 . 0 0 "[ . 1 . 2]" 1
567 1 89 ASP H 1 89 ASP HB3 . . 4.030 3.615 3.579 3.652 . 0 0 "[ . 1 . 2]" 1
568 1 89 ASP HA 1 122 VAL HB . . 5.130 4.727 4.175 5.154 0.024 15 0 "[ . 1 . 2]" 1
569 1 89 ASP HA 1 124 PRO HA . . 3.850 3.167 2.211 3.700 . 0 0 "[ . 1 . 2]" 1
570 1 89 ASP HA 1 125 ALA H . . 3.890 2.560 2.192 2.852 . 0 0 "[ . 1 . 2]" 1
571 1 89 ASP HA 1 125 ALA MB . . 3.950 2.615 2.131 3.262 . 0 0 "[ . 1 . 2]" 1
572 1 89 ASP HB2 1 90 GLU H . . 4.410 3.891 3.820 4.141 . 0 0 "[ . 1 . 2]" 1
573 1 89 ASP HB2 1 122 VAL HB . . 4.620 3.693 3.239 4.220 . 0 0 "[ . 1 . 2]" 1
574 1 89 ASP HB3 1 90 GLU H . . 4.370 2.823 2.631 3.217 . 0 0 "[ . 1 . 2]" 1
575 1 89 ASP HB3 1 122 VAL HB . . 4.340 2.724 2.243 3.263 . 0 0 "[ . 1 . 2]" 1
576 1 89 ASP HB3 1 123 LYS H . . 4.840 3.660 3.402 4.131 . 0 0 "[ . 1 . 2]" 1
577 1 89 ASP HB3 1 124 PRO HA . . 4.490 3.068 2.508 3.662 . 0 0 "[ . 1 . 2]" 1
578 1 89 ASP HB3 1 125 ALA MB . . 5.190 4.612 4.093 5.250 0.060 4 0 "[ . 1 . 2]" 1
579 1 90 GLU H 1 90 GLU QB . . 3.670 2.824 2.252 3.018 . 0 0 "[ . 1 . 2]" 1
580 1 90 GLU H 1 122 VAL HA . . 5.460 5.018 4.712 5.398 . 0 0 "[ . 1 . 2]" 1
581 1 90 GLU H 1 122 VAL HB . . 5.210 3.694 3.329 4.068 . 0 0 "[ . 1 . 2]" 1
582 1 90 GLU H 1 123 LYS H . . 4.490 3.180 2.968 3.660 . 0 0 "[ . 1 . 2]" 1
583 1 90 GLU H 1 123 LYS QG . . 5.330 3.515 2.835 4.025 . 0 0 "[ . 1 . 2]" 1
584 1 90 GLU H 1 125 ALA H . . 4.860 4.141 3.667 4.564 . 0 0 "[ . 1 . 2]" 1
585 1 90 GLU H 1 125 ALA MB . . 4.700 3.572 2.566 4.302 . 0 0 "[ . 1 . 2]" 1
586 1 90 GLU QB 1 91 VAL H . . 3.760 2.864 2.524 3.665 . 0 0 "[ . 1 . 2]" 1
587 1 90 GLU QB 1 123 LYS QG . . 4.170 3.789 2.096 4.269 0.099 13 0 "[ . 1 . 2]" 1
588 1 91 VAL H 1 91 VAL HB . . 4.170 3.693 3.670 3.733 . 0 0 "[ . 1 . 2]" 1
589 1 91 VAL HA 1 92 ILE HA . . 5.010 4.298 4.266 4.362 . 0 0 "[ . 1 . 2]" 1
590 1 91 VAL HA 1 93 GLU H . . 4.820 4.102 3.779 4.354 . 0 0 "[ . 1 . 2]" 1
591 1 91 VAL HA 1 122 VAL HA . . 4.410 2.098 1.892 2.238 . 0 0 "[ . 1 . 2]" 1
592 1 91 VAL HA 1 123 LYS H . . 4.920 3.549 3.301 3.775 . 0 0 "[ . 1 . 2]" 1
593 1 91 VAL HB 1 122 VAL HA . . 5.120 4.203 3.938 4.355 . 0 0 "[ . 1 . 2]" 1
594 1 92 ILE H 1 92 ILE HB . . 4.080 2.589 2.495 2.708 . 0 0 "[ . 1 . 2]" 1
595 1 92 ILE H 1 93 GLU H . . 3.800 2.209 2.123 2.333 . 0 0 "[ . 1 . 2]" 1
596 1 92 ILE H 1 121 THR HB . . 5.300 3.717 3.309 4.073 . 0 0 "[ . 1 . 2]" 1
597 1 92 ILE H 1 122 VAL HA . . 5.000 2.174 1.967 2.389 . 0 0 "[ . 1 . 2]" 1
598 1 92 ILE H 1 123 LYS QG . . 4.780 4.797 4.638 4.855 0.075 1 0 "[ . 1 . 2]" 1
599 1 92 ILE HA 1 123 LYS H . . 5.370 5.429 5.367 5.484 0.114 4 0 "[ . 1 . 2]" 1
600 1 92 ILE HA 1 123 LYS QG . . 4.690 4.650 4.448 4.754 0.064 1 0 "[ . 1 . 2]" 1
601 1 92 ILE HB 1 93 GLU H . . 4.390 2.534 2.320 2.750 . 0 0 "[ . 1 . 2]" 1
602 1 92 ILE HB 1 121 THR HB . . 4.130 3.013 2.589 3.276 . 0 0 "[ . 1 . 2]" 1
603 1 92 ILE HB 1 123 LYS HB3 . . 4.560 4.539 4.210 4.633 0.073 11 0 "[ . 1 . 2]" 1
604 1 92 ILE HG12 1 122 VAL HA . . 4.970 2.694 2.481 2.871 . 0 0 "[ . 1 . 2]" 1
605 1 92 ILE HG12 1 123 LYS HB3 . . 4.560 3.010 2.789 3.218 . 0 0 "[ . 1 . 2]" 1
606 1 93 GLU H 1 93 GLU HB3 . . 4.130 3.834 3.764 3.885 . 0 0 "[ . 1 . 2]" 1
607 1 93 GLU H 1 93 GLU QG . . 4.620 3.260 2.973 3.472 . 0 0 "[ . 1 . 2]" 1
608 1 93 GLU H 1 94 VAL H . . 4.830 4.248 4.179 4.294 . 0 0 "[ . 1 . 2]" 1
609 1 93 GLU H 1 121 THR H . . 4.540 3.186 2.932 3.363 . 0 0 "[ . 1 . 2]" 1
610 1 93 GLU H 1 121 THR HB . . 4.300 2.174 1.879 2.524 . 0 0 "[ . 1 . 2]" 1
611 1 93 GLU H 1 122 VAL HA . . 5.500 3.958 3.683 4.188 . 0 0 "[ . 1 . 2]" 1
612 1 93 GLU HA 1 94 VAL H . . 3.420 2.116 2.053 2.165 . 0 0 "[ . 1 . 2]" 1
613 1 93 GLU HA 1 98 GLU HA . . 3.930 2.620 2.245 3.168 . 0 0 "[ . 1 . 2]" 1
614 1 93 GLU HA 1 99 VAL H . . 4.570 3.354 2.760 4.257 . 0 0 "[ . 1 . 2]" 1
615 1 93 GLU HB2 1 94 VAL H . . 5.030 3.899 3.627 4.037 . 0 0 "[ . 1 . 2]" 1
616 1 93 GLU HB2 1 121 THR HB . . 4.800 2.074 1.875 2.390 . 0 0 "[ . 1 . 2]" 1
617 1 93 GLU HB3 1 94 VAL H . . 4.270 2.762 2.506 2.879 . 0 0 "[ . 1 . 2]" 1
618 1 93 GLU HB3 1 121 THR HB . . 4.740 3.616 3.454 3.819 . 0 0 "[ . 1 . 2]" 1
619 1 93 GLU QG 1 94 VAL H . . 3.690 3.721 3.539 3.830 0.140 1 0 "[ . 1 . 2]" 1
620 1 93 GLU QG 1 96 GLY H . . 5.160 4.753 4.231 5.244 0.084 15 0 "[ . 1 . 2]" 1
621 1 93 GLU QG 1 98 GLU H . . 4.870 3.798 2.918 4.539 . 0 0 "[ . 1 . 2]" 1
622 1 93 GLU QG 1 98 GLU HA . . 4.470 2.186 1.864 2.566 . 0 0 "[ . 1 . 2]" 1
623 1 93 GLU QG 1 98 GLU HG2 . . 4.260 2.924 1.932 4.272 0.012 18 0 "[ . 1 . 2]" 1
624 1 93 GLU QG 1 98 GLU HG3 . . 4.600 3.454 2.658 4.741 0.141 6 0 "[ . 1 . 2]" 1
625 1 93 GLU QG 1 99 VAL H . . 4.970 4.042 3.478 4.928 . 0 0 "[ . 1 . 2]" 1
626 1 93 GLU QG 1 121 THR HB . . 4.500 3.558 2.650 4.128 . 0 0 "[ . 1 . 2]" 1
627 1 94 VAL H 1 94 VAL HB . . 4.190 3.834 3.732 3.920 . 0 0 "[ . 1 . 2]" 1
628 1 94 VAL H 1 95 ASN H . . 4.590 4.025 3.902 4.164 . 0 0 "[ . 1 . 2]" 1
629 1 94 VAL H 1 96 GLY H . . 5.310 3.477 3.053 4.178 . 0 0 "[ . 1 . 2]" 1
630 1 94 VAL H 1 97 ILE H . . 4.180 2.947 2.649 3.262 . 0 0 "[ . 1 . 2]" 1
631 1 94 VAL H 1 97 ILE HB . . 5.370 2.982 2.680 3.264 . 0 0 "[ . 1 . 2]" 1
632 1 94 VAL H 1 98 GLU HA . . 4.420 3.981 3.476 4.499 0.079 3 0 "[ . 1 . 2]" 1
633 1 94 VAL H 1 99 VAL H . . 4.950 4.330 3.947 4.641 . 0 0 "[ . 1 . 2]" 1
634 1 94 VAL H 1 110 MET ME . . 4.360 4.375 4.257 4.462 0.102 6 0 "[ . 1 . 2]" 1
635 1 94 VAL HA 1 120 ILE HA . . 4.080 2.692 2.486 2.847 . 0 0 "[ . 1 . 2]" 1
636 1 94 VAL HA 1 121 THR H . . 4.600 3.209 2.863 3.490 . 0 0 "[ . 1 . 2]" 1
637 1 94 VAL HB 1 95 ASN H . . 4.990 3.688 3.478 3.842 . 0 0 "[ . 1 . 2]" 1
638 1 94 VAL HB 1 111 MET HA . . 4.340 3.828 3.627 4.138 . 0 0 "[ . 1 . 2]" 1
639 1 94 VAL HB 1 111 MET QB . . 4.890 4.368 4.129 4.680 . 0 0 "[ . 1 . 2]" 1
640 1 94 VAL HB 1 111 MET QG . . 3.750 2.235 1.990 2.610 . 0 0 "[ . 1 . 2]" 1
641 1 94 VAL HB 1 118 LEU HG . . 4.520 4.227 3.782 4.555 0.035 8 0 "[ . 1 . 2]" 1
642 1 95 ASN H 1 96 GLY H . . 4.360 3.114 2.473 3.924 . 0 0 "[ . 1 . 2]" 1
643 1 95 ASN H 1 119 ILE HB . . 4.410 2.863 2.373 3.290 . 0 0 "[ . 1 . 2]" 1
644 1 95 ASN H 1 120 ILE HA . . 4.650 3.406 2.841 3.971 . 0 0 "[ . 1 . 2]" 1
645 1 95 ASN HA 1 97 ILE H . . 4.800 4.572 4.260 4.844 0.044 3 0 "[ . 1 . 2]" 1
646 1 95 ASN HA 1 119 ILE HB . . 4.230 2.126 1.822 2.578 . 0 0 "[ . 1 . 2]" 1
647 1 96 GLY H 1 97 ILE H . . 4.200 1.925 1.452 2.480 . 0 0 "[ . 1 . 2]" 1
648 1 97 ILE H 1 97 ILE HB . . 3.530 2.520 2.457 2.603 . 0 0 "[ . 1 . 2]" 1
649 1 97 ILE H 1 97 ILE HG12 . . 4.270 2.261 2.009 2.539 . 0 0 "[ . 1 . 2]" 1
650 1 97 ILE H 1 98 GLU H . . 5.050 4.339 4.164 4.523 . 0 0 "[ . 1 . 2]" 1
651 1 97 ILE HA 1 97 ILE HG12 . . 4.070 3.222 3.145 3.328 . 0 0 "[ . 1 . 2]" 1
652 1 97 ILE HA 1 98 GLU H . . 3.180 2.186 2.139 2.254 . 0 0 "[ . 1 . 2]" 1
653 1 97 ILE HA 1 98 GLU QB . . 4.590 4.429 4.062 4.587 . 0 0 "[ . 1 . 2]" 1
654 1 97 ILE HA 1 102 LYS QE . . 5.320 5.288 4.700 5.385 0.065 8 0 "[ . 1 . 2]" 1
655 1 97 ILE HB 1 98 GLU H . . 5.110 4.208 3.987 4.378 . 0 0 "[ . 1 . 2]" 1
656 1 98 GLU H 1 98 GLU HB2 . . 3.900 2.513 2.425 2.651 . 0 0 "[ . 1 . 2]" 1
657 1 98 GLU H 1 98 GLU QB . . 3.400 2.447 2.185 2.588 . 0 0 "[ . 1 . 2]" 1
658 1 98 GLU H 1 98 GLU HB3 . . 3.900 3.512 2.476 3.669 . 0 0 "[ . 1 . 2]" 1
659 1 98 GLU H 1 98 GLU HG3 . . 4.110 2.623 2.143 4.253 0.143 10 0 "[ . 1 . 2]" 1
660 1 98 GLU H 1 99 VAL H . . 5.210 3.843 2.489 4.544 . 0 0 "[ . 1 . 2]" 1
661 1 98 GLU HA 1 98 GLU HG2 . . 4.060 2.672 2.328 3.775 . 0 0 "[ . 1 . 2]" 1
662 1 98 GLU HA 1 99 VAL H . . 3.560 2.502 2.064 3.293 . 0 0 "[ . 1 . 2]" 1
663 1 98 GLU HA 1 100 ALA H . . 4.770 3.783 3.526 4.134 . 0 0 "[ . 1 . 2]" 1
664 1 98 GLU QB 1 100 ALA H . . 4.050 2.550 2.171 3.586 . 0 0 "[ . 1 . 2]" 1
665 1 98 GLU QB 1 100 ALA MB . . 4.520 2.853 2.592 3.730 . 0 0 "[ . 1 . 2]" 1
666 1 98 GLU HB2 1 99 VAL H . . 4.700 3.810 3.153 4.229 . 0 0 "[ . 1 . 2]" 1
667 1 98 GLU HB2 1 100 ALA H . . 4.630 3.250 2.760 4.591 . 0 0 "[ . 1 . 2]" 1
668 1 98 GLU HB3 1 99 VAL H . . 4.700 3.491 2.777 4.236 . 0 0 "[ . 1 . 2]" 1
669 1 98 GLU HB3 1 100 ALA H . . 4.630 2.792 2.201 3.743 . 0 0 "[ . 1 . 2]" 1
670 1 98 GLU HG2 1 99 VAL H . . 5.220 4.370 2.897 5.164 . 0 0 "[ . 1 . 2]" 1
671 1 98 GLU HG2 1 100 ALA H . . 5.230 4.605 1.737 5.344 0.114 7 0 "[ . 1 . 2]" 1
672 1 98 GLU HG3 1 99 VAL H . . 5.160 4.602 2.890 5.209 0.049 6 0 "[ . 1 . 2]" 1
673 1 98 GLU HG3 1 100 ALA H . . 5.050 4.896 3.134 5.150 0.100 4 0 "[ . 1 . 2]" 1
674 1 99 VAL H 1 100 ALA H . . 3.770 2.689 2.309 3.143 . 0 0 "[ . 1 . 2]" 1
675 1 99 VAL HA 1 102 LYS H . . 4.990 3.924 3.657 4.271 . 0 0 "[ . 1 . 2]" 1
676 1 99 VAL HA 1 102 LYS HB2 . . 4.380 2.765 2.351 3.157 . 0 0 "[ . 1 . 2]" 1
677 1 99 VAL HA 1 102 LYS HD2 . . 4.600 4.278 2.160 4.723 0.123 18 0 "[ . 1 . 2]" 1
678 1 99 VAL HA 1 102 LYS HD3 . . 4.600 3.473 2.064 4.412 . 0 0 "[ . 1 . 2]" 1
679 1 99 VAL HA 1 102 LYS QE . . 4.520 3.921 2.048 4.274 . 0 0 "[ . 1 . 2]" 1
680 1 99 VAL HA 1 102 LYS QG . . 4.150 2.650 1.868 3.826 . 0 0 "[ . 1 . 2]" 1
681 1 99 VAL HA 1 107 VAL HA . . 5.250 5.137 4.781 5.290 0.040 14 0 "[ . 1 . 2]" 1
682 1 99 VAL HB 1 100 ALA H . . 5.200 4.253 3.990 4.432 . 0 0 "[ . 1 . 2]" 1
683 1 99 VAL HB 1 102 LYS HB2 . . 4.460 3.527 3.102 4.066 . 0 0 "[ . 1 . 2]" 1
684 1 99 VAL HB 1 102 LYS QG . . 5.110 4.368 3.618 5.165 0.055 11 0 "[ . 1 . 2]" 1
685 1 100 ALA H 1 100 ALA MB . . 3.030 2.246 2.222 2.271 . 0 0 "[ . 1 . 2]" 1
686 1 100 ALA H 1 101 GLY H . . 4.910 4.465 4.425 4.508 . 0 0 "[ . 1 . 2]" 1
687 1 100 ALA HA 1 101 GLY H . . 3.070 2.130 2.093 2.162 . 0 0 "[ . 1 . 2]" 1
688 1 100 ALA HA 1 102 LYS H . . 3.950 3.368 3.225 3.566 . 0 0 "[ . 1 . 2]" 1
689 1 100 ALA MB 1 101 GLY H . . 3.790 3.158 3.060 3.208 . 0 0 "[ . 1 . 2]" 1
690 1 101 GLY H 1 102 LYS H . . 3.790 2.492 2.335 2.704 . 0 0 "[ . 1 . 2]" 1
691 1 102 LYS H 1 102 LYS HB2 . . 3.680 2.526 2.382 2.690 . 0 0 "[ . 1 . 2]" 1
692 1 102 LYS H 1 102 LYS HB3 . . 4.120 3.651 3.584 3.706 . 0 0 "[ . 1 . 2]" 1
693 1 102 LYS H 1 102 LYS HD2 . . 4.640 3.887 2.693 4.734 0.094 18 0 "[ . 1 . 2]" 1
694 1 102 LYS H 1 102 LYS HD3 . . 4.640 4.188 2.896 4.745 0.105 19 0 "[ . 1 . 2]" 1
695 1 102 LYS H 1 102 LYS QG . . 3.650 2.513 2.170 3.686 0.036 5 0 "[ . 1 . 2]" 1
696 1 102 LYS H 1 103 THR H . . 5.090 4.527 4.449 4.662 . 0 0 "[ . 1 . 2]" 1
697 1 102 LYS HA 1 102 LYS HD2 . . 4.410 3.133 2.207 4.544 0.134 15 0 "[ . 1 . 2]" 1
698 1 102 LYS HA 1 102 LYS QD . . 3.820 2.936 2.194 3.991 0.171 20 0 "[ . 1 . 2]" 1
699 1 102 LYS HA 1 102 LYS HD3 . . 4.410 4.105 3.836 4.555 0.145 18 0 "[ . 1 . 2]" 1
700 1 102 LYS HA 1 102 LYS QE . . 5.230 3.784 3.028 4.952 . 0 0 "[ . 1 . 2]" 1
701 1 102 LYS HA 1 102 LYS QG . . 3.750 2.762 2.242 3.171 . 0 0 "[ . 1 . 2]" 1
702 1 102 LYS HA 1 103 THR H . . 3.530 2.341 2.178 2.520 . 0 0 "[ . 1 . 2]" 1
703 1 102 LYS HA 1 106 GLN HB3 . . 5.180 4.352 3.525 5.053 . 0 0 "[ . 1 . 2]" 1
704 1 102 LYS HB2 1 102 LYS HD2 . . 4.030 3.487 2.233 3.738 . 0 0 "[ . 1 . 2]" 1
705 1 102 LYS HB2 1 102 LYS HD3 . . 4.030 3.427 2.304 4.147 0.117 7 0 "[ . 1 . 2]" 1
706 1 102 LYS HB2 1 102 LYS QE . . 3.760 3.453 2.918 3.934 0.174 19 0 "[ . 1 . 2]" 1
707 1 102 LYS HB2 1 103 THR H . . 3.840 3.790 3.631 3.898 0.058 7 0 "[ . 1 . 2]" 1
708 1 102 LYS HB2 1 106 GLN HB2 . . 4.950 4.135 3.810 4.569 . 0 0 "[ . 1 . 2]" 1
709 1 102 LYS HB3 1 103 THR H . . 4.030 2.803 2.484 3.141 . 0 0 "[ . 1 . 2]" 1
710 1 102 LYS HB3 1 106 GLN HB2 . . 5.110 2.596 2.124 3.012 . 0 0 "[ . 1 . 2]" 1
711 1 102 LYS QD 1 103 THR H . . 4.940 4.521 4.077 5.011 0.071 15 0 "[ . 1 . 2]" 1
712 1 102 LYS QE 1 106 GLN HB3 . . 4.540 2.840 2.132 4.563 0.023 18 0 "[ . 1 . 2]" 1
713 1 102 LYS QE 1 110 MET HB3 . . 4.640 4.671 4.288 4.798 0.158 7 0 "[ . 1 . 2]" 1
714 1 102 LYS QG 1 103 THR H . . 4.690 4.290 3.607 4.748 0.058 6 0 "[ . 1 . 2]" 1
715 1 102 LYS QG 1 106 GLN HB2 . . 5.040 4.297 2.653 4.969 . 0 0 "[ . 1 . 2]" 1
716 1 102 LYS QG 1 106 GLN HB3 . . 4.850 4.293 2.247 4.916 0.066 17 0 "[ . 1 . 2]" 1
717 1 103 THR H 1 106 GLN H . . 4.510 3.384 2.918 3.558 . 0 0 "[ . 1 . 2]" 1
718 1 103 THR H 1 106 GLN HA . . 5.030 5.036 4.645 5.142 0.112 8 0 "[ . 1 . 2]" 1
719 1 103 THR H 1 106 GLN HB2 . . 3.680 2.236 1.928 2.336 . 0 0 "[ . 1 . 2]" 1
720 1 103 THR H 1 106 GLN HB3 . . 4.330 3.741 3.526 3.907 . 0 0 "[ . 1 . 2]" 1
721 1 103 THR H 1 106 GLN HG2 . . 5.060 3.260 2.755 4.145 . 0 0 "[ . 1 . 2]" 1
722 1 103 THR H 1 106 GLN QG . . 4.440 2.831 2.526 3.143 . 0 0 "[ . 1 . 2]" 1
723 1 103 THR H 1 106 GLN HG3 . . 5.060 3.137 2.881 3.578 . 0 0 "[ . 1 . 2]" 1
724 1 103 THR HA 1 104 LEU H . . 3.480 2.433 2.356 2.584 . 0 0 "[ . 1 . 2]" 1
725 1 103 THR HA 1 104 LEU QB . . 4.950 4.578 4.458 4.759 . 0 0 "[ . 1 . 2]" 1
726 1 103 THR HA 1 105 ASP H . . 4.740 4.216 4.099 4.381 . 0 0 "[ . 1 . 2]" 1
727 1 103 THR HA 1 106 GLN H . . 5.260 4.487 4.402 4.540 . 0 0 "[ . 1 . 2]" 1
728 1 103 THR HB 1 104 LEU H . . 3.740 2.341 2.223 2.584 . 0 0 "[ . 1 . 2]" 1
729 1 103 THR HB 1 104 LEU HB2 . . 5.230 4.009 3.964 4.117 . 0 0 "[ . 1 . 2]" 1
730 1 103 THR HB 1 104 LEU QB . . 4.590 3.894 3.856 3.979 . 0 0 "[ . 1 . 2]" 1
731 1 103 THR HB 1 104 LEU HB3 . . 5.230 5.289 5.264 5.326 0.096 20 0 "[ . 1 . 2]" 1
732 1 103 THR HB 1 105 ASP H . . 3.960 2.458 2.335 2.621 . 0 0 "[ . 1 . 2]" 1
733 1 103 THR HB 1 105 ASP HB2 . . 4.900 3.411 3.161 5.004 0.104 5 0 "[ . 1 . 2]" 1
734 1 103 THR HB 1 105 ASP HB3 . . 4.900 4.872 4.415 4.982 0.082 17 0 "[ . 1 . 2]" 1
735 1 103 THR HB 1 106 GLN H . . 4.460 3.335 3.234 3.438 . 0 0 "[ . 1 . 2]" 1
736 1 103 THR HB 1 106 GLN QG . . 5.190 4.087 3.966 4.405 . 0 0 "[ . 1 . 2]" 1
737 1 103 THR HB 1 107 VAL H . . 4.910 4.943 4.919 4.979 0.069 14 0 "[ . 1 . 2]" 1
738 1 104 LEU H 1 104 LEU HB2 . . 4.000 2.345 2.268 2.401 . 0 0 "[ . 1 . 2]" 1
739 1 104 LEU H 1 104 LEU QB . . 3.420 2.315 2.243 2.368 . 0 0 "[ . 1 . 2]" 1
740 1 104 LEU H 1 104 LEU HB3 . . 4.000 3.572 3.538 3.614 . 0 0 "[ . 1 . 2]" 1
741 1 104 LEU H 1 104 LEU HG . . 4.290 3.805 3.737 4.047 . 0 0 "[ . 1 . 2]" 1
742 1 104 LEU H 1 105 ASP H . . 4.030 2.594 2.429 2.720 . 0 0 "[ . 1 . 2]" 1
743 1 104 LEU HA 1 107 VAL H . . 4.540 3.208 3.028 3.332 . 0 0 "[ . 1 . 2]" 1
744 1 104 LEU HA 1 107 VAL HB . . 4.080 2.677 2.483 2.812 . 0 0 "[ . 1 . 2]" 1
745 1 104 LEU QB 1 105 ASP H . . 3.670 2.687 2.597 2.820 . 0 0 "[ . 1 . 2]" 1
746 1 104 LEU HB2 1 105 ASP H . . 4.370 2.793 2.704 2.923 . 0 0 "[ . 1 . 2]" 1
747 1 104 LEU HB3 1 105 ASP H . . 4.370 3.497 3.184 3.706 . 0 0 "[ . 1 . 2]" 1
748 1 104 LEU HG 1 105 ASP H . . 5.130 5.063 4.972 5.132 0.002 19 0 "[ . 1 . 2]" 1
749 1 104 LEU HG 1 108 THR H . . 5.210 5.278 4.966 5.358 0.148 18 0 "[ . 1 . 2]" 1
750 1 105 ASP H 1 105 ASP HB2 . . 4.000 2.604 2.403 3.574 . 0 0 "[ . 1 . 2]" 1
751 1 105 ASP H 1 105 ASP QB . . 3.350 2.472 2.368 2.690 . 0 0 "[ . 1 . 2]" 1
752 1 105 ASP H 1 105 ASP HB3 . . 4.000 3.506 2.704 3.645 . 0 0 "[ . 1 . 2]" 1
753 1 105 ASP H 1 106 GLN H . . 3.800 2.710 2.604 2.784 . 0 0 "[ . 1 . 2]" 1
754 1 105 ASP HA 1 107 VAL H . . 4.780 4.672 4.487 4.792 0.012 4 0 "[ . 1 . 2]" 1
755 1 105 ASP HA 1 108 THR H . . 4.660 4.033 3.791 4.254 . 0 0 "[ . 1 . 2]" 1
756 1 105 ASP HA 1 109 ASP H . . 4.760 4.011 3.819 4.150 . 0 0 "[ . 1 . 2]" 1
757 1 105 ASP QB 1 106 GLN H . . 3.230 2.436 2.181 3.296 0.066 3 0 "[ . 1 . 2]" 1
758 1 105 ASP QB 1 109 ASP H . . 4.920 4.889 4.662 4.966 0.046 13 0 "[ . 1 . 2]" 1
759 1 106 GLN H 1 106 GLN HB3 . . 4.120 3.592 3.566 3.638 . 0 0 "[ . 1 . 2]" 1
760 1 106 GLN H 1 106 GLN HG2 . . 4.540 2.458 2.272 3.505 . 0 0 "[ . 1 . 2]" 1
761 1 106 GLN H 1 106 GLN HG3 . . 4.540 3.692 2.252 3.866 . 0 0 "[ . 1 . 2]" 1
762 1 106 GLN H 1 107 VAL H . . 3.490 2.644 2.558 2.762 . 0 0 "[ . 1 . 2]" 1
763 1 106 GLN H 1 108 THR H . . 5.180 4.329 4.239 4.451 . 0 0 "[ . 1 . 2]" 1
764 1 106 GLN H 1 109 ASP H . . 5.060 4.744 4.543 4.852 . 0 0 "[ . 1 . 2]" 1
765 1 106 GLN HA 1 109 ASP H . . 4.490 3.647 3.316 3.852 . 0 0 "[ . 1 . 2]" 1
766 1 106 GLN HA 1 109 ASP HB2 . . 4.310 3.617 3.028 4.078 . 0 0 "[ . 1 . 2]" 1
767 1 106 GLN HA 1 109 ASP QB . . 3.630 2.529 2.112 2.744 . 0 0 "[ . 1 . 2]" 1
768 1 106 GLN HA 1 109 ASP HB3 . . 4.310 2.583 2.155 2.789 . 0 0 "[ . 1 . 2]" 1
769 1 106 GLN HB2 1 107 VAL H . . 4.250 2.662 2.501 2.815 . 0 0 "[ . 1 . 2]" 1
770 1 106 GLN HB2 1 108 THR H . . 5.180 5.225 5.192 5.266 0.086 18 0 "[ . 1 . 2]" 1
771 1 106 GLN HB3 1 107 VAL H . . 4.450 3.605 3.431 3.723 . 0 0 "[ . 1 . 2]" 1
772 1 106 GLN QG 1 107 VAL H . . 5.160 4.160 4.060 4.286 . 0 0 "[ . 1 . 2]" 1
773 1 107 VAL H 1 107 VAL HB . . 3.830 2.698 2.645 2.753 . 0 0 "[ . 1 . 2]" 1
774 1 107 VAL H 1 108 THR H . . 3.750 2.740 2.650 2.844 . 0 0 "[ . 1 . 2]" 1
775 1 107 VAL H 1 109 ASP H . . 5.150 4.173 4.028 4.307 . 0 0 "[ . 1 . 2]" 1
776 1 107 VAL HA 1 110 MET H . . 4.310 3.355 3.277 3.429 . 0 0 "[ . 1 . 2]" 1
777 1 107 VAL HA 1 110 MET HB2 . . 4.900 2.653 2.553 2.738 . 0 0 "[ . 1 . 2]" 1
778 1 107 VAL HA 1 110 MET HB3 . . 4.380 3.221 3.058 3.614 . 0 0 "[ . 1 . 2]" 1
779 1 107 VAL HA 1 110 MET HG2 . . 5.020 4.946 4.776 5.046 0.026 9 0 "[ . 1 . 2]" 1
780 1 107 VAL HA 1 110 MET QG . . 4.340 4.032 3.865 4.181 . 0 0 "[ . 1 . 2]" 1
781 1 107 VAL HA 1 110 MET HG3 . . 5.020 4.273 4.081 4.467 . 0 0 "[ . 1 . 2]" 1
782 1 107 VAL HA 1 111 MET H . . 4.430 3.988 3.869 4.171 . 0 0 "[ . 1 . 2]" 1
783 1 107 VAL HA 1 111 MET ME . . 4.190 4.219 4.189 4.245 0.055 8 0 "[ . 1 . 2]" 1
784 1 107 VAL HA 1 111 MET QG . . 4.940 4.017 3.873 4.153 . 0 0 "[ . 1 . 2]" 1
785 1 107 VAL HB 1 108 THR H . . 3.990 2.641 2.518 2.753 . 0 0 "[ . 1 . 2]" 1
786 1 108 THR H 1 108 THR HB . . 3.900 3.623 2.743 3.688 . 0 0 "[ . 1 . 2]" 1
787 1 108 THR H 1 109 ASP H . . 4.020 2.756 2.602 2.842 . 0 0 "[ . 1 . 2]" 1
788 1 108 THR HA 1 111 MET H . . 5.000 3.491 3.335 3.610 . 0 0 "[ . 1 . 2]" 1
789 1 108 THR HA 1 112 VAL H . . 5.050 4.020 3.824 4.205 . 0 0 "[ . 1 . 2]" 1
790 1 108 THR HB 1 109 ASP H . . 4.820 3.394 2.463 3.555 . 0 0 "[ . 1 . 2]" 1
791 1 108 THR HB 1 111 MET QB . . 4.690 4.646 4.390 4.847 0.157 17 0 "[ . 1 . 2]" 1
792 1 109 ASP H 1 109 ASP HB2 . . 4.030 2.532 2.414 2.605 . 0 0 "[ . 1 . 2]" 1
793 1 109 ASP H 1 109 ASP HB3 . . 4.030 2.514 2.457 2.618 . 0 0 "[ . 1 . 2]" 1
794 1 109 ASP HA 1 112 VAL H . . 4.500 3.517 3.200 3.689 . 0 0 "[ . 1 . 2]" 1
795 1 109 ASP HA 1 112 VAL HB . . 4.280 2.892 2.664 3.019 . 0 0 "[ . 1 . 2]" 1
796 1 109 ASP QB 1 110 MET H . . 3.750 2.556 2.360 2.732 . 0 0 "[ . 1 . 2]" 1
797 1 109 ASP HB2 1 110 MET H . . 4.440 3.889 3.764 4.038 . 0 0 "[ . 1 . 2]" 1
798 1 109 ASP HB3 1 110 MET H . . 4.440 2.593 2.385 2.778 . 0 0 "[ . 1 . 2]" 1
799 1 110 MET H 1 110 MET HB3 . . 4.110 3.030 2.934 3.167 . 0 0 "[ . 1 . 2]" 1
800 1 110 MET H 1 110 MET ME . . 5.080 4.582 4.498 4.711 . 0 0 "[ . 1 . 2]" 1
801 1 110 MET H 1 110 MET QG . . 4.510 3.783 3.588 3.870 . 0 0 "[ . 1 . 2]" 1
802 1 110 MET H 1 111 MET H . . 3.820 2.610 2.512 2.696 . 0 0 "[ . 1 . 2]" 1
803 1 110 MET H 1 113 ALA MB . . 4.860 4.426 4.315 4.545 . 0 0 "[ . 1 . 2]" 1
804 1 110 MET HA 1 110 MET ME . . 4.270 3.520 3.362 3.611 . 0 0 "[ . 1 . 2]" 1
805 1 110 MET HA 1 110 MET QG . . 3.590 2.512 2.464 2.571 . 0 0 "[ . 1 . 2]" 1
806 1 110 MET HA 1 113 ALA MB . . 3.910 2.485 2.384 2.562 . 0 0 "[ . 1 . 2]" 1
807 1 110 MET HB2 1 111 MET H . . 4.700 3.310 3.172 3.412 . 0 0 "[ . 1 . 2]" 1
808 1 110 MET HB2 1 113 ALA MB . . 4.870 4.811 4.730 4.876 0.006 10 0 "[ . 1 . 2]" 1
809 1 110 MET HB3 1 110 MET ME . . 3.650 2.173 2.069 2.260 . 0 0 "[ . 1 . 2]" 1
810 1 110 MET HB3 1 111 MET H . . 3.600 2.570 2.395 2.712 . 0 0 "[ . 1 . 2]" 1
811 1 110 MET HB3 1 113 ALA H . . 5.500 5.271 5.087 5.477 . 0 0 "[ . 1 . 2]" 1
812 1 110 MET ME 1 110 MET QG . . 3.430 2.506 2.464 2.535 . 0 0 "[ . 1 . 2]" 1
813 1 110 MET ME 1 111 MET H . . 4.600 3.409 3.166 3.752 . 0 0 "[ . 1 . 2]" 1
814 1 110 MET ME 1 111 MET HA . . 3.960 2.683 2.367 3.014 . 0 0 "[ . 1 . 2]" 1
815 1 110 MET ME 1 111 MET QG . . 3.440 3.028 2.618 3.349 . 0 0 "[ . 1 . 2]" 1
816 1 110 MET ME 1 113 ALA MB . . 3.720 3.812 3.774 3.894 0.174 8 0 "[ . 1 . 2]" 1
817 1 110 MET QG 1 111 MET H . . 4.440 4.411 4.332 4.462 0.022 9 0 "[ . 1 . 2]" 1
818 1 110 MET QG 1 113 ALA MB . . 4.450 4.025 3.970 4.128 . 0 0 "[ . 1 . 2]" 1
819 1 110 MET HG2 1 111 MET H . . 5.130 5.009 4.946 5.053 . 0 0 "[ . 1 . 2]" 1
820 1 110 MET HG2 1 113 ALA MB . . 5.110 4.202 4.137 4.329 . 0 0 "[ . 1 . 2]" 1
821 1 110 MET HG3 1 111 MET H . . 5.130 4.899 4.780 4.992 . 0 0 "[ . 1 . 2]" 1
822 1 110 MET HG3 1 113 ALA MB . . 5.110 5.154 5.103 5.206 0.096 20 0 "[ . 1 . 2]" 1
823 1 111 MET H 1 111 MET QB . . 3.500 2.391 2.263 2.444 . 0 0 "[ . 1 . 2]" 1
824 1 111 MET H 1 111 MET ME . . 4.770 3.572 3.479 3.681 . 0 0 "[ . 1 . 2]" 1
825 1 111 MET H 1 111 MET QG . . 4.050 2.477 2.363 2.597 . 0 0 "[ . 1 . 2]" 1
826 1 111 MET QB 1 111 MET ME . . 2.370 2.044 2.004 2.094 . 0 0 "[ . 1 . 2]" 1
827 1 111 MET QB 1 112 VAL H . . 4.180 2.718 2.619 2.882 . 0 0 "[ . 1 . 2]" 1
828 1 111 MET QB 1 113 ALA H . . 5.340 4.575 4.475 4.728 . 0 0 "[ . 1 . 2]" 1
829 1 112 VAL H 1 112 VAL HB . . 4.170 2.567 2.496 2.640 . 0 0 "[ . 1 . 2]" 1
830 1 112 VAL H 1 113 ALA H . . 4.000 2.521 2.444 2.565 . 0 0 "[ . 1 . 2]" 1
831 1 112 VAL H 1 114 ASN H . . 5.440 4.202 3.975 4.409 . 0 0 "[ . 1 . 2]" 1
832 1 112 VAL HB 1 113 ALA H . . 4.560 2.897 2.767 3.039 . 0 0 "[ . 1 . 2]" 1
833 1 113 ALA H 1 113 ALA MB . . 3.410 2.223 2.195 2.244 . 0 0 "[ . 1 . 2]" 1
834 1 113 ALA H 1 114 ASN H . . 4.020 2.655 2.556 2.782 . 0 0 "[ . 1 . 2]" 1
835 1 113 ALA MB 1 114 ASN H . . 4.140 2.464 2.302 2.541 . 0 0 "[ . 1 . 2]" 1
836 1 113 ALA MB 1 114 ASN QB . . 5.130 3.824 3.631 4.117 . 0 0 "[ . 1 . 2]" 1
837 1 113 ALA MB 1 114 ASN HD21 . . 5.170 3.391 2.904 4.746 . 0 0 "[ . 1 . 2]" 1
838 1 113 ALA MB 1 115 SER H . . 5.070 4.385 4.231 4.907 . 0 0 "[ . 1 . 2]" 1
839 1 114 ASN H 1 115 SER H . . 3.920 2.907 2.601 3.880 . 0 0 "[ . 1 . 2]" 1
840 1 114 ASN HA 1 118 LEU HB2 . . 5.360 4.739 4.402 5.200 . 0 0 "[ . 1 . 2]" 1
841 1 114 ASN QB 1 117 ASN H . . 5.140 3.673 3.432 3.951 . 0 0 "[ . 1 . 2]" 1
842 1 114 ASN QB 1 118 LEU HA . . 4.260 2.939 2.501 3.356 . 0 0 "[ . 1 . 2]" 1
843 1 114 ASN QB 1 118 LEU HG . . 4.380 4.337 3.548 4.446 0.066 1 0 "[ . 1 . 2]" 1
844 1 114 ASN HB2 1 118 LEU HA . . 4.900 3.756 2.977 4.075 . 0 0 "[ . 1 . 2]" 1
845 1 114 ASN HB3 1 118 LEU HA . . 4.900 3.089 2.651 3.624 . 0 0 "[ . 1 . 2]" 1
846 1 115 SER HA 1 117 ASN H . . 5.200 4.381 3.913 5.072 . 0 0 "[ . 1 . 2]" 1
847 1 115 SER HA 1 118 LEU HB2 . . 5.160 3.264 2.508 4.601 . 0 0 "[ . 1 . 2]" 1
848 1 116 SER H 1 117 ASN H . . 4.710 2.568 2.297 2.790 . 0 0 "[ . 1 . 2]" 1
849 1 116 SER QB 1 117 ASN H . . 4.150 2.905 2.345 3.631 . 0 0 "[ . 1 . 2]" 1
850 1 117 ASN H 1 118 LEU H . . 4.190 3.674 3.519 3.963 . 0 0 "[ . 1 . 2]" 1
851 1 117 ASN H 1 118 LEU HB3 . . 5.300 5.030 4.683 5.366 0.066 5 0 "[ . 1 . 2]" 1
852 1 117 ASN QB 1 118 LEU H . . 4.000 3.600 3.182 3.974 . 0 0 "[ . 1 . 2]" 1
853 1 117 ASN HB2 1 118 LEU H . . 4.580 4.001 3.305 4.508 . 0 0 "[ . 1 . 2]" 1
854 1 117 ASN HB3 1 118 LEU H . . 4.580 4.214 3.560 4.451 . 0 0 "[ . 1 . 2]" 1
855 1 118 LEU H 1 118 LEU HB2 . . 4.030 3.025 2.833 3.147 . 0 0 "[ . 1 . 2]" 1
856 1 118 LEU H 1 118 LEU HB3 . . 3.970 2.595 2.450 2.763 . 0 0 "[ . 1 . 2]" 1
857 1 118 LEU H 1 119 ILE H . . 5.420 4.281 4.113 4.374 . 0 0 "[ . 1 . 2]" 1
858 1 119 ILE HA 1 120 ILE H . . 3.410 2.200 2.140 2.312 . 0 0 "[ . 1 . 2]" 1
859 1 120 ILE H 1 120 ILE HB . . 4.100 2.614 2.499 3.067 . 0 0 "[ . 1 . 2]" 1
860 1 120 ILE HA 1 121 THR H . . 3.560 2.138 2.091 2.197 . 0 0 "[ . 1 . 2]" 1
861 1 120 ILE HB 1 121 THR H . . 4.820 4.240 4.165 4.288 . 0 0 "[ . 1 . 2]" 1
862 1 121 THR HA 1 122 VAL H . . 3.450 2.152 2.105 2.194 . 0 0 "[ . 1 . 2]" 1
863 1 121 THR HB 1 122 VAL H . . 5.010 4.221 4.075 4.296 . 0 0 "[ . 1 . 2]" 1
864 1 122 VAL HB 1 123 LYS H . . 3.620 2.389 2.274 2.597 . 0 0 "[ . 1 . 2]" 1
865 1 123 LYS H 1 123 LYS QG . . 4.150 2.438 2.209 2.562 . 0 0 "[ . 1 . 2]" 1
866 1 123 LYS H 1 124 PRO QD . . 5.090 4.250 4.155 4.375 . 0 0 "[ . 1 . 2]" 1
867 1 123 LYS HA 1 123 LYS QD . . 5.010 3.912 3.641 4.526 . 0 0 "[ . 1 . 2]" 1
868 1 123 LYS HA 1 124 PRO HD2 . . 3.740 2.102 1.972 2.277 . 0 0 "[ . 1 . 2]" 1
869 1 123 LYS HA 1 124 PRO HD3 . . 3.740 2.466 2.253 2.587 . 0 0 "[ . 1 . 2]" 1
870 1 123 LYS HB2 1 123 LYS QD . . 2.840 2.446 2.103 2.847 0.007 12 0 "[ . 1 . 2]" 1
871 1 123 LYS HB2 1 123 LYS QE . . 3.510 2.844 1.952 3.664 0.154 4 0 "[ . 1 . 2]" 1
872 1 123 LYS HB3 1 123 LYS QE . . 4.660 3.723 3.143 4.136 . 0 0 "[ . 1 . 2]" 1
873 1 124 PRO HA 1 125 ALA H . . 3.350 2.073 2.025 2.196 . 0 0 "[ . 1 . 2]" 1
874 1 124 PRO HA 1 126 ASN H . . 4.130 3.389 3.012 3.857 . 0 0 "[ . 1 . 2]" 1
875 1 124 PRO HB2 1 126 ASN H . . 4.130 2.579 2.409 2.720 . 0 0 "[ . 1 . 2]" 1
876 1 124 PRO HB2 1 126 ASN QB . . 4.930 3.822 3.068 4.637 . 0 0 "[ . 1 . 2]" 1
877 1 124 PRO HB3 1 125 ALA H . . 4.300 3.791 3.709 3.875 . 0 0 "[ . 1 . 2]" 1
878 1 124 PRO HG2 1 125 ALA H . . 4.920 4.907 4.832 4.953 0.033 19 0 "[ . 1 . 2]" 1
879 1 124 PRO HG2 1 126 ASN H . . 4.980 4.514 4.320 4.752 . 0 0 "[ . 1 . 2]" 1
880 1 124 PRO HG3 1 126 ASN H . . 5.160 5.209 5.069 5.281 0.121 12 0 "[ . 1 . 2]" 1
881 1 125 ALA H 1 125 ALA MB . . 3.400 2.297 2.218 2.405 . 0 0 "[ . 1 . 2]" 1
882 1 125 ALA H 1 126 ASN H . . 4.260 2.287 1.888 2.781 . 0 0 "[ . 1 . 2]" 1
883 1 125 ALA HA 1 126 ASN QB . . 5.200 4.254 3.964 5.224 0.024 17 0 "[ . 1 . 2]" 1
884 1 125 ALA MB 1 126 ASN H . . 3.960 3.100 2.670 3.413 . 0 0 "[ . 1 . 2]" 1
885 1 125 ALA MB 1 126 ASN QB . . 5.070 4.337 4.131 4.924 . 0 0 "[ . 1 . 2]" 1
886 1 126 ASN H 1 126 ASN QB . . 3.760 3.005 2.415 3.371 . 0 0 "[ . 1 . 2]" 1
887 1 126 ASN QB 1 127 GLN H . . 5.080 3.524 1.858 4.016 . 0 0 "[ . 1 . 2]" 1
888 1 126 ASN QB 1 128 ARG H . . 5.370 4.778 3.635 5.453 0.083 9 0 "[ . 1 . 2]" 1
889 1 127 GLN H 1 127 GLN QG . . 4.290 3.424 1.981 4.308 0.018 15 0 "[ . 1 . 2]" 1
890 1 127 GLN HA 1 127 GLN QG . . 3.540 2.652 2.336 3.350 . 0 0 "[ . 1 . 2]" 1
891 1 127 GLN HA 1 128 ARG H . . 3.370 2.317 2.011 3.476 0.106 7 0 "[ . 1 . 2]" 1
892 1 127 GLN QB 1 127 GLN QG . . 2.290 2.064 1.997 2.092 . 0 0 "[ . 1 . 2]" 1
893 1 127 GLN QB 1 128 ARG H . . 4.370 3.650 2.311 4.027 . 0 0 "[ . 1 . 2]" 1
894 1 127 GLN HB2 1 128 ARG H . . 5.150 4.252 2.912 4.580 . 0 0 "[ . 1 . 2]" 1
895 1 127 GLN HB3 1 128 ARG H . . 5.150 4.070 2.334 4.517 . 0 0 "[ . 1 . 2]" 1
896 1 127 GLN QG 1 128 ARG H . . 4.660 3.973 3.336 4.714 0.054 10 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:34:30 PM GMT (wattos1)