NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
526424 |
2lc4   |
17598 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc4
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 1407
_Distance_constraint_stats_list.Viol_count 1734
_Distance_constraint_stats_list.Viol_total 970.136
_Distance_constraint_stats_list.Viol_max 0.695
_Distance_constraint_stats_list.Viol_rms 0.0133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0280
_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 5 ARG 0.053 0.053 12 0 "[ . 1 . 2]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 1.770 0.366 11 0 "[ . 1 . 2]"
1 12 ILE 2.190 0.366 11 0 "[ . 1 . 2]"
1 13 LYS 1.052 0.092 11 0 "[ . 1 . 2]"
1 14 PRO 0.367 0.069 8 0 "[ . 1 . 2]"
1 15 ASP 0.414 0.135 20 0 "[ . 1 . 2]"
1 16 GLU 0.340 0.151 15 0 "[ . 1 . 2]"
1 17 THR 0.535 0.151 15 0 "[ . 1 . 2]"
1 18 ARG 2.391 0.695 18 2 "[ . 1 . +-2]"
1 19 VAL 2.518 0.695 18 2 "[ . 1 . +-2]"
1 20 LYS 0.928 0.347 12 0 "[ . 1 . 2]"
1 21 GLN 0.610 0.347 12 0 "[ . 1 . 2]"
1 22 PHE 1.680 0.177 13 0 "[ . 1 . 2]"
1 23 LEU 7.001 0.230 16 0 "[ . 1 . 2]"
1 24 GLU 0.678 0.103 13 0 "[ . 1 . 2]"
1 25 GLY 2.394 0.230 16 0 "[ . 1 . 2]"
1 26 PHE 1.035 0.063 17 0 "[ . 1 . 2]"
1 27 ASN 0.165 0.030 1 0 "[ . 1 . 2]"
1 28 ILE 0.280 0.041 11 0 "[ . 1 . 2]"
1 29 GLU 0.332 0.026 11 0 "[ . 1 . 2]"
1 30 THR 0.084 0.010 10 0 "[ . 1 . 2]"
1 31 PHE 1.320 0.051 13 0 "[ . 1 . 2]"
1 32 GLU 0.331 0.024 20 0 "[ . 1 . 2]"
1 33 MET 1.122 0.167 16 0 "[ . 1 . 2]"
1 34 VAL 0.235 0.110 16 0 "[ . 1 . 2]"
1 35 GLY 0.234 0.110 16 0 "[ . 1 . 2]"
1 36 THR 0.329 0.047 16 0 "[ . 1 . 2]"
1 37 LEU 1.913 0.293 20 0 "[ . 1 . 2]"
1 38 SER 1.723 0.293 20 0 "[ . 1 . 2]"
1 39 ASN 0.105 0.056 20 0 "[ . 1 . 2]"
1 40 ALA 0.046 0.044 20 0 "[ . 1 . 2]"
1 41 GLN 0.009 0.003 11 0 "[ . 1 . 2]"
1 42 GLY 0.027 0.006 19 0 "[ . 1 . 2]"
1 43 THR 0.046 0.010 18 0 "[ . 1 . 2]"
1 44 PHE 0.583 0.065 20 0 "[ . 1 . 2]"
1 45 ALA 0.277 0.033 16 0 "[ . 1 . 2]"
1 46 LEU 0.223 0.079 16 0 "[ . 1 . 2]"
1 47 VAL 0.525 0.106 14 0 "[ . 1 . 2]"
1 48 LYS 1.335 0.080 17 0 "[ . 1 . 2]"
1 49 GLY 0.640 0.117 10 0 "[ . 1 . 2]"
1 50 ALA 1.171 0.122 14 0 "[ . 1 . 2]"
1 51 GLY 0.166 0.034 10 0 "[ . 1 . 2]"
1 52 GLY 0.446 0.122 14 0 "[ . 1 . 2]"
1 53 VAL 2.022 0.305 10 0 "[ . 1 . 2]"
1 54 HIS 4.853 0.305 10 0 "[ . 1 . 2]"
1 55 ARG 1.559 0.123 8 0 "[ . 1 . 2]"
1 56 VAL 1.305 0.123 8 0 "[ . 1 . 2]"
1 57 ARG 0.149 0.040 14 0 "[ . 1 . 2]"
1 58 VAL 0.050 0.023 14 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.390 0.036 12 0 "[ . 1 . 2]"
1 61 TYR 1.174 0.092 4 0 "[ . 1 . 2]"
1 62 LEU 1.338 0.070 4 0 "[ . 1 . 2]"
1 63 GLY 0.776 0.085 16 0 "[ . 1 . 2]"
1 64 ARG 1.274 0.129 11 0 "[ . 1 . 2]"
1 65 ASN 2.308 0.129 11 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.077 0.032 11 0 "[ . 1 . 2]"
1 68 LYS 3.464 0.112 12 0 "[ . 1 . 2]"
1 69 VAL 5.782 0.214 4 0 "[ . 1 . 2]"
1 70 VAL 4.900 0.214 4 0 "[ . 1 . 2]"
1 71 GLY 1.483 0.074 1 0 "[ . 1 . 2]"
1 72 ILE 0.983 0.071 7 0 "[ . 1 . 2]"
1 73 SER 0.761 0.128 9 0 "[ . 1 . 2]"
1 74 GLU 0.671 0.128 9 0 "[ . 1 . 2]"
1 75 GLY 0.011 0.011 16 0 "[ . 1 . 2]"
1 76 LYS 0.509 0.061 6 0 "[ . 1 . 2]"
1 77 ILE 0.180 0.081 12 0 "[ . 1 . 2]"
1 78 ASP 0.014 0.004 17 0 "[ . 1 . 2]"
1 79 VAL 0.682 0.074 1 0 "[ . 1 . 2]"
1 80 ILE 4.068 0.112 12 0 "[ . 1 . 2]"
1 81 GLU 1.252 0.070 19 0 "[ . 1 . 2]"
1 82 ILE 0.990 0.080 4 0 "[ . 1 . 2]"
1 83 VAL 0.461 0.033 12 0 "[ . 1 . 2]"
1 84 PRO 0.983 0.058 15 0 "[ . 1 . 2]"
1 85 ASP 0.148 0.026 11 0 "[ . 1 . 2]"
1 86 GLY 0.142 0.036 10 0 "[ . 1 . 2]"
1 87 GLU 0.541 0.107 18 0 "[ . 1 . 2]"
1 88 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASN 0.770 0.189 11 0 "[ . 1 . 2]"
1 90 TRP 1.201 0.058 15 0 "[ . 1 . 2]"
1 91 LEU 0.227 0.028 5 0 "[ . 1 . 2]"
1 92 GLU 0.033 0.015 15 0 "[ . 1 . 2]"
1 93 ARG 0.902 0.065 7 0 "[ . 1 . 2]"
1 94 PRO 0.166 0.053 12 0 "[ . 1 . 2]"
1 95 ARG 0.955 0.169 14 0 "[ . 1 . 2]"
1 96 SER 1.251 0.169 14 0 "[ . 1 . 2]"
1 97 LEU 0.479 0.080 12 0 "[ . 1 . 2]"
1 98 THR 0.343 0.088 12 0 "[ . 1 . 2]"
1 99 LEU 0.665 0.119 6 0 "[ . 1 . 2]"
1 100 LYS 0.189 0.028 18 0 "[ . 1 . 2]"
1 101 GLU 0.055 0.055 11 0 "[ . 1 . 2]"
1 102 ARG 0.065 0.055 11 0 "[ . 1 . 2]"
1 103 SER 0.010 0.005 5 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 47 VAL H 1 48 LYS H . . 4.550 4.491 4.461 4.522 . 0 0 "[ . 1 . 2]" 1
2 1 48 LYS H 1 48 LYS HB2 . . 3.140 3.071 2.836 3.145 0.005 1 0 "[ . 1 . 2]" 1
3 1 48 LYS H 1 48 LYS HB3 . . 3.180 2.627 2.520 2.771 . 0 0 "[ . 1 . 2]" 1
4 1 48 LYS H 1 48 LYS HG2 . . 5.360 4.438 4.304 4.603 . 0 0 "[ . 1 . 2]" 1
5 1 48 LYS H 1 48 LYS HG3 . . 5.360 4.770 4.503 4.968 . 0 0 "[ . 1 . 2]" 1
6 1 47 VAL MG1 1 48 LYS H . . 3.360 3.319 3.232 3.377 0.017 3 0 "[ . 1 . 2]" 1
7 1 28 ILE H 1 64 ARG H . . 4.710 3.549 3.175 4.048 . 0 0 "[ . 1 . 2]" 1
8 1 27 ASN HA 1 28 ILE H . . 3.500 2.357 2.215 2.470 . 0 0 "[ . 1 . 2]" 1
9 1 28 ILE H 1 63 GLY HA3 . . 4.500 3.838 3.463 4.203 . 0 0 "[ . 1 . 2]" 1
10 1 27 ASN HB3 1 28 ILE H . . 4.410 2.668 2.334 3.097 . 0 0 "[ . 1 . 2]" 1
11 1 28 ILE H 1 28 ILE HB . . 3.750 2.660 2.483 2.734 . 0 0 "[ . 1 . 2]" 1
12 1 28 ILE H 1 28 ILE HG13 . . 4.620 4.463 4.414 4.504 . 0 0 "[ . 1 . 2]" 1
13 1 21 GLN H 1 24 GLU H . . 5.120 4.018 3.462 4.963 . 0 0 "[ . 1 . 2]" 1
14 1 21 GLN H 1 21 GLN HB2 . . 3.820 2.327 2.073 2.824 . 0 0 "[ . 1 . 2]" 1
15 1 21 GLN H 1 21 GLN HB3 . . 3.820 3.517 3.065 3.817 . 0 0 "[ . 1 . 2]" 1
16 1 20 LYS HB3 1 21 GLN H . . 4.710 4.093 2.814 4.583 . 0 0 "[ . 1 . 2]" 1
17 1 20 LYS HB2 1 21 GLN H . . 4.710 4.022 1.946 4.415 . 0 0 "[ . 1 . 2]" 1
18 1 47 VAL H 1 56 VAL H . . 4.910 4.443 4.041 4.713 . 0 0 "[ . 1 . 2]" 1
19 1 55 ARG H 1 56 VAL H . . 4.590 4.340 4.234 4.441 . 0 0 "[ . 1 . 2]" 1
20 1 44 PHE QD 1 56 VAL H . . 5.210 5.096 4.815 5.221 0.011 8 0 "[ . 1 . 2]" 1
21 1 55 ARG HA 1 56 VAL H . . 2.920 2.156 2.142 2.201 . 0 0 "[ . 1 . 2]" 1
22 1 44 PHE HB3 1 56 VAL H . . 4.210 4.103 3.812 4.176 . 0 0 "[ . 1 . 2]" 1
23 1 56 VAL H 1 56 VAL MG2 . . 3.540 2.238 2.105 2.353 . 0 0 "[ . 1 . 2]" 1
24 1 56 VAL H 1 56 VAL MG1 . . 3.540 3.237 2.921 3.334 . 0 0 "[ . 1 . 2]" 1
25 1 54 HIS H 1 54 HIS HD2 . . 3.900 3.525 2.720 3.711 . 0 0 "[ . 1 . 2]" 1
26 1 54 HIS H 1 54 HIS HB3 . . 4.000 3.832 3.720 3.936 . 0 0 "[ . 1 . 2]" 1
27 1 54 HIS H 1 54 HIS HB2 . . 3.600 3.081 2.974 3.346 . 0 0 "[ . 1 . 2]" 1
28 1 53 VAL HB 1 54 HIS H . . 3.830 3.004 2.813 3.450 . 0 0 "[ . 1 . 2]" 1
29 1 47 VAL MG1 1 54 HIS H . . 3.040 2.834 2.431 3.034 . 0 0 "[ . 1 . 2]" 1
30 1 54 HIS H 1 54 HIS HE1 . . 5.500 5.110 4.639 5.642 0.142 14 0 "[ . 1 . 2]" 1
31 1 92 GLU H 1 93 ARG H . . 4.800 4.607 4.581 4.622 . 0 0 "[ . 1 . 2]" 1
32 1 92 GLU HA 1 93 ARG H . . 2.920 2.258 2.214 2.316 . 0 0 "[ . 1 . 2]" 1
33 1 93 ARG H 1 94 PRO HD3 . . 4.860 3.620 3.501 4.393 . 0 0 "[ . 1 . 2]" 1
34 1 93 ARG H 1 94 PRO HD2 . . 4.860 4.272 4.198 4.699 . 0 0 "[ . 1 . 2]" 1
35 1 93 ARG H 1 93 ARG HB2 . . 3.060 2.971 2.531 3.070 0.010 19 0 "[ . 1 . 2]" 1
36 1 93 ARG H 1 93 ARG HB3 . . 3.650 3.114 2.908 3.686 0.036 12 0 "[ . 1 . 2]" 1
37 1 80 ILE MD 1 93 ARG H . . 3.270 2.915 2.613 3.068 . 0 0 "[ . 1 . 2]" 1
38 1 82 ILE MD 1 93 ARG H . . 4.120 3.840 3.343 4.185 0.065 7 0 "[ . 1 . 2]" 1
39 1 44 PHE H 1 45 ALA H . . 4.600 4.499 4.421 4.571 . 0 0 "[ . 1 . 2]" 1
40 1 39 ASN H 1 44 PHE H . . 5.140 4.803 4.622 5.122 . 0 0 "[ . 1 . 2]" 1
41 1 44 PHE H 1 44 PHE QE . . 5.010 4.397 4.151 4.715 . 0 0 "[ . 1 . 2]" 1
42 1 44 PHE H 1 44 PHE QD . . 3.840 2.401 2.123 2.701 . 0 0 "[ . 1 . 2]" 1
43 1 44 PHE H 1 44 PHE HB3 . . 4.110 3.771 3.675 3.891 . 0 0 "[ . 1 . 2]" 1
44 1 44 PHE H 1 44 PHE HB2 . . 3.910 2.705 2.592 2.872 . 0 0 "[ . 1 . 2]" 1
45 1 37 LEU HB3 1 44 PHE H . . 3.840 3.302 2.862 3.754 . 0 0 "[ . 1 . 2]" 1
46 1 44 PHE H 1 72 ILE MG . . 4.400 3.883 3.232 4.264 . 0 0 "[ . 1 . 2]" 1
47 1 47 VAL H 1 55 ARG H . . 5.140 4.986 4.700 5.154 0.014 4 0 "[ . 1 . 2]" 1
48 1 46 LEU HA 1 47 VAL H . . 2.960 2.141 2.139 2.147 . 0 0 "[ . 1 . 2]" 1
49 1 46 LEU HB2 1 47 VAL H . . 4.230 4.142 4.052 4.216 . 0 0 "[ . 1 . 2]" 1
50 1 46 LEU HB3 1 47 VAL H . . 4.370 3.548 3.425 3.658 . 0 0 "[ . 1 . 2]" 1
51 1 62 LEU H 1 63 GLY H . . 4.650 4.330 4.262 4.393 . 0 0 "[ . 1 . 2]" 1
52 1 61 TYR H 1 62 LEU H . . 4.570 4.421 4.370 4.462 . 0 0 "[ . 1 . 2]" 1
53 1 61 TYR QD 1 62 LEU H . . 4.570 4.132 3.877 4.343 . 0 0 "[ . 1 . 2]" 1
54 1 62 LEU H 1 66 ASP HA . . 4.360 3.912 3.553 4.274 . 0 0 "[ . 1 . 2]" 1
55 1 62 LEU H 1 68 LYS HA . . 4.720 3.877 3.819 3.952 . 0 0 "[ . 1 . 2]" 1
56 1 61 TYR HB2 1 62 LEU H . . 3.880 3.817 3.642 3.897 0.017 14 0 "[ . 1 . 2]" 1
57 1 62 LEU H 1 62 LEU HB2 . . 3.970 3.392 2.700 3.954 . 0 0 "[ . 1 . 2]" 1
58 1 66 ASP H 1 67 GLY H . . 4.080 2.822 2.686 2.898 . 0 0 "[ . 1 . 2]" 1
59 1 23 LEU H 1 24 GLU H . . 3.930 2.405 2.157 2.831 . 0 0 "[ . 1 . 2]" 1
60 1 22 PHE QD 1 23 LEU H . . 3.870 3.592 2.868 3.831 . 0 0 "[ . 1 . 2]" 1
61 1 22 PHE HB2 1 23 LEU H . . 4.210 3.933 3.427 4.215 0.005 17 0 "[ . 1 . 2]" 1
62 1 22 PHE HB3 1 23 LEU H . . 3.810 2.608 1.920 3.063 . 0 0 "[ . 1 . 2]" 1
63 1 21 GLN HB2 1 23 LEU H . . 4.270 4.002 3.579 4.319 0.049 8 0 "[ . 1 . 2]" 1
64 1 21 GLN HB3 1 23 LEU H . . 4.270 2.739 2.325 3.640 . 0 0 "[ . 1 . 2]" 1
65 1 23 LEU H 1 23 LEU HB3 . . 3.640 3.612 3.542 3.676 0.036 17 0 "[ . 1 . 2]" 1
66 1 23 LEU H 1 23 LEU HB2 . . 3.140 2.503 2.262 2.746 . 0 0 "[ . 1 . 2]" 1
67 1 23 LEU H 1 23 LEU MD1 . . 3.760 2.985 2.344 3.712 . 0 0 "[ . 1 . 2]" 1
68 1 58 VAL H 1 59 GLY H . . 4.580 4.488 4.470 4.554 . 0 0 "[ . 1 . 2]" 1
69 1 58 VAL HA 1 59 GLY H . . 2.910 2.146 2.144 2.157 . 0 0 "[ . 1 . 2]" 1
70 1 49 GLY H 1 54 HIS H . . 4.660 4.507 4.182 4.676 0.016 4 0 "[ . 1 . 2]" 1
71 1 49 GLY H 1 54 HIS HD2 . . 4.670 4.495 2.968 4.692 0.022 5 0 "[ . 1 . 2]" 1
72 1 48 LYS HA 1 49 GLY H . . 3.010 2.216 2.155 2.239 . 0 0 "[ . 1 . 2]" 1
73 1 49 GLY H 1 53 VAL HA . . 3.760 3.374 3.002 3.631 . 0 0 "[ . 1 . 2]" 1
74 1 48 LYS HE2 1 49 GLY H . . 5.500 4.745 3.989 5.508 0.008 20 0 "[ . 1 . 2]" 1
75 1 48 LYS HE3 1 49 GLY H . . 5.500 4.837 2.682 5.490 . 0 0 "[ . 1 . 2]" 1
76 1 48 LYS HB2 1 49 GLY H . . 4.590 4.077 3.950 4.254 . 0 0 "[ . 1 . 2]" 1
77 1 48 LYS HB3 1 49 GLY H . . 4.530 4.015 3.823 4.200 . 0 0 "[ . 1 . 2]" 1
78 1 48 LYS HD3 1 49 GLY H . . 5.500 4.542 2.760 5.173 . 0 0 "[ . 1 . 2]" 1
79 1 48 LYS HG2 1 49 GLY H . . 4.160 2.550 2.307 3.363 . 0 0 "[ . 1 . 2]" 1
80 1 48 LYS HG3 1 49 GLY H . . 4.160 3.174 2.098 4.104 . 0 0 "[ . 1 . 2]" 1
81 1 49 GLY H 1 53 VAL MG1 . . 4.520 4.298 4.059 4.563 0.043 14 0 "[ . 1 . 2]" 1
82 1 47 VAL MG2 1 49 GLY H . . 4.890 4.709 4.542 4.798 . 0 0 "[ . 1 . 2]" 1
83 1 49 GLY H 1 50 ALA MB . . 5.500 4.778 4.317 5.394 . 0 0 "[ . 1 . 2]" 1
84 1 95 ARG H 1 96 SER H . . 5.020 4.501 4.392 4.554 . 0 0 "[ . 1 . 2]" 1
85 1 96 SER H 1 97 LEU H . . 5.350 4.316 4.153 4.387 . 0 0 "[ . 1 . 2]" 1
86 1 74 GLU H 1 75 GLY H . . 4.670 2.306 2.188 3.510 . 0 0 "[ . 1 . 2]" 1
87 1 73 SER HB3 1 74 GLU H . . 3.400 2.304 1.949 2.746 . 0 0 "[ . 1 . 2]" 1
88 1 36 THR MG 1 74 GLU H . . 5.260 5.009 4.709 5.266 0.006 20 0 "[ . 1 . 2]" 1
89 1 50 ALA MB 1 51 GLY H . . 5.260 3.458 2.550 3.625 . 0 0 "[ . 1 . 2]" 1
90 1 23 LEU H 1 25 GLY H . . 4.890 4.024 3.729 4.216 . 0 0 "[ . 1 . 2]" 1
91 1 23 LEU HA 1 25 GLY H . . 3.930 3.468 3.332 3.767 . 0 0 "[ . 1 . 2]" 1
92 1 24 GLU HB2 1 25 GLY H . . 4.920 3.534 3.186 3.846 . 0 0 "[ . 1 . 2]" 1
93 1 24 GLU HB3 1 25 GLY H . . 4.920 3.938 3.638 4.194 . 0 0 "[ . 1 . 2]" 1
94 1 24 GLU HG3 1 25 GLY H . . 5.500 5.039 4.623 5.417 . 0 0 "[ . 1 . 2]" 1
95 1 23 LEU HB2 1 25 GLY H . . 4.920 4.854 4.652 4.984 0.064 10 0 "[ . 1 . 2]" 1
96 1 25 GLY H 1 50 ALA MB . . 5.500 5.497 5.175 5.577 0.077 13 0 "[ . 1 . 2]" 1
97 1 23 LEU MD2 1 25 GLY H . . 5.500 5.292 5.096 5.695 0.195 16 0 "[ . 1 . 2]" 1
98 1 25 GLY H 1 26 PHE QD . . 3.740 3.424 2.882 3.742 0.002 17 0 "[ . 1 . 2]" 1
99 1 25 GLY H 1 26 PHE QE . . 4.770 4.359 3.902 4.746 . 0 0 "[ . 1 . 2]" 1
100 1 63 GLY H 1 65 ASN H . . 5.500 5.342 5.213 5.506 0.006 17 0 "[ . 1 . 2]" 1
101 1 63 GLY H 1 64 ARG H . . 4.800 4.383 4.205 4.490 . 0 0 "[ . 1 . 2]" 1
102 1 31 PHE QE 1 63 GLY H . . 3.890 2.375 2.232 2.513 . 0 0 "[ . 1 . 2]" 1
103 1 24 GLU HB2 1 63 GLY H . . 5.500 5.127 4.589 5.504 0.004 6 0 "[ . 1 . 2]" 1
104 1 24 GLU HB3 1 63 GLY H . . 5.500 5.094 4.438 5.506 0.006 5 0 "[ . 1 . 2]" 1
105 1 26 PHE HB2 1 63 GLY H . . 5.500 5.381 4.988 5.524 0.024 20 0 "[ . 1 . 2]" 1
106 1 23 LEU HB3 1 63 GLY H . . 3.730 3.599 3.055 3.815 0.085 16 0 "[ . 1 . 2]" 1
107 1 62 LEU HB2 1 63 GLY H . . 4.440 3.387 2.596 4.325 . 0 0 "[ . 1 . 2]" 1
108 1 39 ASN H 1 42 GLY H . . 3.650 2.829 2.761 2.959 . 0 0 "[ . 1 . 2]" 1
109 1 41 GLN H 1 42 GLY H . . 3.180 2.620 2.574 2.640 . 0 0 "[ . 1 . 2]" 1
110 1 42 GLY H 1 44 PHE QE . . 4.280 3.173 2.936 3.392 . 0 0 "[ . 1 . 2]" 1
111 1 42 GLY H 1 44 PHE QD . . 5.140 4.755 4.589 4.983 . 0 0 "[ . 1 . 2]" 1
112 1 38 SER HA 1 42 GLY H . . 4.620 4.552 4.484 4.623 0.003 10 0 "[ . 1 . 2]" 1
113 1 41 GLN HA 1 42 GLY H . . 3.560 3.497 3.477 3.511 . 0 0 "[ . 1 . 2]" 1
114 1 41 GLN HB2 1 42 GLY H . . 4.060 3.099 2.784 3.279 . 0 0 "[ . 1 . 2]" 1
115 1 41 GLN HB3 1 42 GLY H . . 4.480 3.440 3.157 4.041 . 0 0 "[ . 1 . 2]" 1
116 1 85 ASP HB2 1 86 GLY H . . 4.280 3.756 2.578 4.178 . 0 0 "[ . 1 . 2]" 1
117 1 85 ASP HB3 1 86 GLY H . . 4.280 2.813 2.278 3.682 . 0 0 "[ . 1 . 2]" 1
118 1 84 PRO HB2 1 86 GLY H . . 3.680 3.189 2.685 3.689 0.009 10 0 "[ . 1 . 2]" 1
119 1 87 GLU HG2 1 88 GLY H . . 5.500 3.772 2.389 4.795 . 0 0 "[ . 1 . 2]" 1
120 1 87 GLU HG3 1 88 GLY H . . 5.500 3.773 1.942 4.993 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU HG2 1 17 THR H . . 5.500 4.360 2.786 5.277 . 0 0 "[ . 1 . 2]" 1
122 1 16 GLU HG3 1 17 THR H . . 5.500 4.397 2.184 5.427 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLU HB2 1 17 THR H . . 5.500 3.889 2.915 4.481 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU HB3 1 17 THR H . . 5.500 4.194 3.178 4.592 . 0 0 "[ . 1 . 2]" 1
125 1 17 THR H 1 18 ARG HB2 . . 4.920 4.526 3.955 5.017 0.097 20 0 "[ . 1 . 2]" 1
126 1 17 THR H 1 17 THR MG . . 3.660 2.380 1.941 3.181 . 0 0 "[ . 1 . 2]" 1
127 1 35 GLY H 1 36 THR H . . 4.640 4.380 4.365 4.389 . 0 0 "[ . 1 . 2]" 1
128 1 36 THR H 1 46 LEU HB2 . . 4.750 4.129 3.858 4.690 . 0 0 "[ . 1 . 2]" 1
129 1 36 THR H 1 46 LEU MD1 . . 5.180 3.315 2.654 3.896 . 0 0 "[ . 1 . 2]" 1
130 1 36 THR H 1 46 LEU MD2 . . 5.180 4.958 4.292 5.187 0.007 12 0 "[ . 1 . 2]" 1
131 1 64 ARG H 1 65 ASN H . . 3.880 2.506 2.409 2.647 . 0 0 "[ . 1 . 2]" 1
132 1 97 LEU H 1 98 THR H . . 4.300 4.231 4.032 4.282 . 0 0 "[ . 1 . 2]" 1
133 1 27 ASN H 1 64 ARG H . . 5.230 4.625 4.379 4.848 . 0 0 "[ . 1 . 2]" 1
134 1 98 THR H 1 99 LEU H . . 4.780 4.608 4.584 4.628 . 0 0 "[ . 1 . 2]" 1
135 1 76 LYS HA 1 98 THR H . . 4.470 4.338 4.220 4.469 . 0 0 "[ . 1 . 2]" 1
136 1 63 GLY HA3 1 64 ARG H . . 3.400 2.762 2.665 2.924 . 0 0 "[ . 1 . 2]" 1
137 1 28 ILE HA 1 64 ARG H . . 4.870 4.332 4.070 4.773 . 0 0 "[ . 1 . 2]" 1
138 1 98 THR H 1 98 THR MG . . 3.500 2.338 2.003 2.606 . 0 0 "[ . 1 . 2]" 1
139 1 41 GLN H 1 44 PHE HZ . . 5.500 5.436 5.280 5.503 0.003 5 0 "[ . 1 . 2]" 1
140 1 41 GLN H 1 41 GLN HB2 . . 3.040 2.201 2.067 2.706 . 0 0 "[ . 1 . 2]" 1
141 1 40 ALA MB 1 41 GLN H . . 3.780 2.734 2.649 2.790 . 0 0 "[ . 1 . 2]" 1
142 1 65 ASN HD21 1 83 VAL HA . . 4.780 4.033 3.786 4.442 . 0 0 "[ . 1 . 2]" 1
143 1 65 ASN HD21 1 84 PRO HD2 . . 5.500 5.464 5.239 5.546 0.046 11 0 "[ . 1 . 2]" 1
144 1 65 ASN HD21 1 82 ILE HB . . 4.910 3.876 3.591 3.940 . 0 0 "[ . 1 . 2]" 1
145 1 29 GLU H 1 30 THR H . . 3.670 2.438 2.330 2.600 . 0 0 "[ . 1 . 2]" 1
146 1 30 THR H 1 31 PHE H . . 3.270 2.626 2.533 2.685 . 0 0 "[ . 1 . 2]" 1
147 1 30 THR H 1 31 PHE HA . . 5.270 5.223 5.143 5.277 0.007 6 0 "[ . 1 . 2]" 1
148 1 30 THR H 1 30 THR HB . . 3.850 3.451 2.515 3.626 . 0 0 "[ . 1 . 2]" 1
149 1 27 ASN HB3 1 30 THR H . . 4.300 2.634 2.268 3.079 . 0 0 "[ . 1 . 2]" 1
150 1 27 ASN HB2 1 30 THR H . . 4.430 3.235 3.023 3.501 . 0 0 "[ . 1 . 2]" 1
151 1 29 GLU HG3 1 30 THR H . . 4.490 2.385 1.983 2.625 . 0 0 "[ . 1 . 2]" 1
152 1 29 GLU HB2 1 30 THR H . . 4.380 3.946 3.749 4.054 . 0 0 "[ . 1 . 2]" 1
153 1 29 GLU HB3 1 30 THR H . . 4.380 4.043 3.946 4.127 . 0 0 "[ . 1 . 2]" 1
154 1 28 ILE MD 1 30 THR H . . 5.500 5.340 5.096 5.477 . 0 0 "[ . 1 . 2]" 1
155 1 49 GLY H 1 52 GLY H . . 3.810 2.967 2.711 3.518 . 0 0 "[ . 1 . 2]" 1
156 1 51 GLY H 1 52 GLY H . . 4.850 2.714 2.491 3.052 . 0 0 "[ . 1 . 2]" 1
157 1 48 LYS HA 1 52 GLY H . . 5.250 4.772 4.571 5.328 0.078 9 0 "[ . 1 . 2]" 1
158 1 48 LYS HG2 1 52 GLY H . . 5.500 4.212 3.513 5.145 . 0 0 "[ . 1 . 2]" 1
159 1 48 LYS HG3 1 52 GLY H . . 5.500 4.515 3.359 5.261 . 0 0 "[ . 1 . 2]" 1
160 1 52 GLY H 1 53 VAL MG2 . . 5.500 5.425 5.232 5.553 0.053 10 0 "[ . 1 . 2]" 1
161 1 50 ALA MB 1 52 GLY H . . 4.520 4.117 3.845 4.642 0.122 14 0 "[ . 1 . 2]" 1
162 1 52 GLY H 1 53 VAL MG1 . . 5.500 5.050 4.667 5.559 0.059 9 0 "[ . 1 . 2]" 1
163 1 34 VAL H 1 35 GLY H . . 3.250 2.062 1.892 2.553 . 0 0 "[ . 1 . 2]" 1
164 1 33 MET ME 1 35 GLY H . . 4.160 3.576 3.230 4.159 . 0 0 "[ . 1 . 2]" 1
165 1 35 GLY H 1 46 LEU HB2 . . 3.640 2.575 2.113 2.826 . 0 0 "[ . 1 . 2]" 1
166 1 34 VAL MG2 1 35 GLY H . . 3.930 3.394 2.037 3.899 . 0 0 "[ . 1 . 2]" 1
167 1 34 VAL MG1 1 35 GLY H . . 3.930 2.818 2.219 4.040 0.110 16 0 "[ . 1 . 2]" 1
168 1 71 GLY H 1 72 ILE H . . 4.410 4.370 4.262 4.395 . 0 0 "[ . 1 . 2]" 1
169 1 71 GLY H 1 79 VAL HA . . 4.270 3.613 3.537 3.807 . 0 0 "[ . 1 . 2]" 1
170 1 69 VAL HA 1 71 GLY H . . 4.000 3.684 3.525 3.758 . 0 0 "[ . 1 . 2]" 1
171 1 71 GLY H 1 78 ASP HB3 . . 4.070 3.796 3.308 4.041 . 0 0 "[ . 1 . 2]" 1
172 1 71 GLY H 1 78 ASP HB2 . . 3.470 2.871 2.465 3.376 . 0 0 "[ . 1 . 2]" 1
173 1 71 GLY H 1 79 VAL HB . . 5.500 5.531 5.505 5.574 0.074 1 0 "[ . 1 . 2]" 1
174 1 70 VAL MG1 1 71 GLY H . . 3.890 3.865 3.837 3.903 0.013 16 0 "[ . 1 . 2]" 1
175 1 71 GLY H 1 77 ILE MG . . 4.410 3.781 3.581 3.996 . 0 0 "[ . 1 . 2]" 1
176 1 39 ASN HD21 1 41 GLN HB2 . . 5.110 3.511 2.060 4.208 . 0 0 "[ . 1 . 2]" 1
177 1 37 LEU HG 1 39 ASN HD21 . . 5.500 4.960 4.561 5.556 0.056 20 0 "[ . 1 . 2]" 1
178 1 39 ASN HD21 1 40 ALA MB . . 5.500 5.205 4.090 5.496 . 0 0 "[ . 1 . 2]" 1
179 1 65 ASN HA 1 65 ASN HD22 . . 4.060 3.559 3.446 3.672 . 0 0 "[ . 1 . 2]" 1
180 1 65 ASN HD22 1 84 PRO HD3 . . 5.450 4.673 4.463 4.966 . 0 0 "[ . 1 . 2]" 1
181 1 65 ASN HD22 1 82 ILE HB . . 5.500 5.515 5.266 5.580 0.080 4 0 "[ . 1 . 2]" 1
182 1 6 GLN HB2 1 6 GLN HE22 . . 5.500 4.372 3.545 5.288 . 0 0 "[ . 1 . 2]" 1
183 1 6 GLN HB3 1 6 GLN HE22 . . 5.500 4.421 3.308 5.349 . 0 0 "[ . 1 . 2]" 1
184 1 39 ASN HD22 1 41 GLN HB2 . . 5.110 2.141 1.949 2.817 . 0 0 "[ . 1 . 2]" 1
185 1 39 ASN HD22 1 41 GLN HB3 . . 5.500 3.110 2.480 4.093 . 0 0 "[ . 1 . 2]" 1
186 1 37 LEU HG 1 39 ASN HD22 . . 5.500 5.015 4.477 5.338 . 0 0 "[ . 1 . 2]" 1
187 1 39 ASN HD22 1 40 ALA MB . . 5.500 5.224 5.036 5.544 0.044 20 0 "[ . 1 . 2]" 1
188 1 26 PHE H 1 63 GLY H . . 5.350 4.779 4.409 5.142 . 0 0 "[ . 1 . 2]" 1
189 1 26 PHE H 1 31 PHE HZ . . 4.260 3.408 3.082 3.763 . 0 0 "[ . 1 . 2]" 1
190 1 26 PHE H 1 26 PHE HB3 . . 3.800 3.754 3.675 3.831 0.031 5 0 "[ . 1 . 2]" 1
191 1 26 PHE H 1 26 PHE HB2 . . 3.520 2.671 2.557 2.795 . 0 0 "[ . 1 . 2]" 1
192 1 26 PHE H 1 50 ALA MB . . 5.230 4.917 4.482 5.252 0.022 11 0 "[ . 1 . 2]" 1
193 1 17 THR H 1 18 ARG H . . 3.420 2.350 1.887 2.977 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASP HB2 1 18 ARG H . . 4.920 4.081 2.620 4.994 0.074 20 0 "[ . 1 . 2]" 1
195 1 15 ASP HB3 1 18 ARG H . . 4.920 3.724 2.420 4.980 0.060 15 0 "[ . 1 . 2]" 1
196 1 18 ARG H 1 18 ARG HB2 . . 3.060 2.455 2.206 2.902 . 0 0 "[ . 1 . 2]" 1
197 1 18 ARG H 1 18 ARG HG3 . . 3.850 2.882 2.036 3.851 0.001 14 0 "[ . 1 . 2]" 1
198 1 18 ARG H 1 18 ARG HG2 . . 3.850 3.104 2.115 3.859 0.009 17 0 "[ . 1 . 2]" 1
199 1 62 LEU H 1 68 LYS H . . 5.500 4.675 4.529 4.754 . 0 0 "[ . 1 . 2]" 1
200 1 68 LYS H 1 69 VAL H . . 4.680 4.489 4.443 4.604 . 0 0 "[ . 1 . 2]" 1
201 1 68 LYS H 1 80 ILE H . . 4.000 3.160 3.070 3.330 . 0 0 "[ . 1 . 2]" 1
202 1 61 TYR HA 1 68 LYS H . . 5.330 4.453 4.307 4.554 . 0 0 "[ . 1 . 2]" 1
203 1 67 GLY HA2 1 68 LYS H . . 3.250 2.206 2.176 2.246 . 0 0 "[ . 1 . 2]" 1
204 1 68 LYS H 1 68 LYS HE2 . . 5.340 4.523 4.273 5.397 0.057 4 0 "[ . 1 . 2]" 1
205 1 68 LYS H 1 68 LYS HE3 . . 5.340 5.163 4.273 5.352 0.012 15 0 "[ . 1 . 2]" 1
206 1 68 LYS H 1 79 VAL HB . . 4.210 3.808 3.685 3.994 . 0 0 "[ . 1 . 2]" 1
207 1 68 LYS H 1 80 ILE HB . . 4.600 3.539 3.336 3.750 . 0 0 "[ . 1 . 2]" 1
208 1 68 LYS H 1 68 LYS HB3 . . 3.290 2.467 2.290 2.555 . 0 0 "[ . 1 . 2]" 1
209 1 68 LYS H 1 80 ILE MG . . 3.350 3.372 3.268 3.400 0.050 2 0 "[ . 1 . 2]" 1
210 1 68 LYS H 1 79 VAL MG2 . . 4.480 4.302 4.121 4.517 0.037 11 0 "[ . 1 . 2]" 1
211 1 20 LYS H 1 21 GLN H . . 4.620 3.535 2.233 4.381 . 0 0 "[ . 1 . 2]" 1
212 1 7 LYS HA 1 8 GLY H . . 3.040 2.195 2.145 2.277 . 0 0 "[ . 1 . 2]" 1
213 1 20 LYS H 1 20 LYS HE2 . . 5.080 4.688 3.491 5.078 . 0 0 "[ . 1 . 2]" 1
214 1 7 LYS QB 1 8 GLY H . . 4.240 3.357 2.864 3.989 . 0 0 "[ . 1 . 2]" 1
215 1 19 VAL HB 1 20 LYS H . . 4.670 3.884 2.561 4.198 . 0 0 "[ . 1 . 2]" 1
216 1 20 LYS H 1 20 LYS HB3 . . 4.040 3.711 3.290 3.917 . 0 0 "[ . 1 . 2]" 1
217 1 33 MET HG2 1 100 LYS H . . 5.500 4.320 3.240 5.528 0.028 18 0 "[ . 1 . 2]" 1
218 1 33 MET HG3 1 100 LYS H . . 5.500 5.289 3.384 5.524 0.024 19 0 "[ . 1 . 2]" 1
219 1 33 MET HB3 1 100 LYS H . . 3.350 3.034 2.364 3.366 0.016 5 0 "[ . 1 . 2]" 1
220 1 99 LEU HG 1 100 LYS H . . 4.800 3.431 2.479 4.803 0.003 16 0 "[ . 1 . 2]" 1
221 1 79 VAL H 1 80 ILE H . . 4.580 4.388 4.342 4.410 . 0 0 "[ . 1 . 2]" 1
222 1 80 ILE H 1 81 GLU H . . 4.580 4.365 4.309 4.408 . 0 0 "[ . 1 . 2]" 1
223 1 79 VAL HA 1 80 ILE H . . 3.060 2.287 2.247 2.323 . 0 0 "[ . 1 . 2]" 1
224 1 70 VAL HB 1 80 ILE H . . 5.500 5.500 5.358 5.549 0.049 4 0 "[ . 1 . 2]" 1
225 1 80 ILE H 1 80 ILE HB . . 3.430 2.320 2.286 2.383 . 0 0 "[ . 1 . 2]" 1
226 1 68 LYS HB3 1 80 ILE H . . 3.560 3.330 3.159 3.563 0.003 6 0 "[ . 1 . 2]" 1
227 1 80 ILE H 1 80 ILE HG12 . . 3.860 3.179 3.075 3.349 . 0 0 "[ . 1 . 2]" 1
228 1 70 VAL MG1 1 80 ILE H . . 3.280 2.656 2.544 2.800 . 0 0 "[ . 1 . 2]" 1
229 1 80 ILE H 1 80 ILE MG . . 3.690 3.602 3.534 3.629 . 0 0 "[ . 1 . 2]" 1
230 1 79 VAL MG2 1 80 ILE H . . 3.580 3.473 3.373 3.579 . 0 0 "[ . 1 . 2]" 1
231 1 62 LEU H 1 69 VAL H . . 5.400 5.013 4.860 5.336 . 0 0 "[ . 1 . 2]" 1
232 1 60 ASP H 1 69 VAL H . . 4.420 3.945 3.719 4.107 . 0 0 "[ . 1 . 2]" 1
233 1 58 VAL HA 1 69 VAL H . . 5.320 4.738 4.426 5.035 . 0 0 "[ . 1 . 2]" 1
234 1 60 ASP HB3 1 69 VAL H . . 5.440 4.905 4.816 5.057 . 0 0 "[ . 1 . 2]" 1
235 1 60 ASP HB2 1 69 VAL H . . 5.500 4.233 4.063 4.436 . 0 0 "[ . 1 . 2]" 1
236 1 68 LYS HE2 1 69 VAL H . . 5.500 5.460 4.541 5.520 0.020 5 0 "[ . 1 . 2]" 1
237 1 68 LYS HE3 1 69 VAL H . . 5.500 5.158 4.801 5.611 0.111 11 0 "[ . 1 . 2]" 1
238 1 69 VAL H 1 69 VAL HB . . 3.240 2.557 2.510 2.613 . 0 0 "[ . 1 . 2]" 1
239 1 68 LYS HB2 1 69 VAL H . . 4.330 4.225 3.982 4.295 . 0 0 "[ . 1 . 2]" 1
240 1 68 LYS HG3 1 69 VAL H . . 3.580 3.439 2.583 3.602 0.022 5 0 "[ . 1 . 2]" 1
241 1 68 LYS HG2 1 69 VAL H . . 3.580 2.878 2.291 3.328 . 0 0 "[ . 1 . 2]" 1
242 1 71 GLY H 1 78 ASP H . . 3.890 3.519 3.315 3.704 . 0 0 "[ . 1 . 2]" 1
243 1 78 ASP H 1 78 ASP HB3 . . 3.780 3.597 3.496 3.660 . 0 0 "[ . 1 . 2]" 1
244 1 78 ASP H 1 78 ASP HB2 . . 3.150 2.428 2.206 2.684 . 0 0 "[ . 1 . 2]" 1
245 1 77 ILE HB 1 78 ASP H . . 4.510 4.227 4.124 4.366 . 0 0 "[ . 1 . 2]" 1
246 1 77 ILE MG 1 78 ASP H . . 2.930 2.762 2.596 2.933 0.003 6 0 "[ . 1 . 2]" 1
247 1 16 GLU H 1 17 THR H . . 4.470 2.754 2.027 4.566 0.096 20 0 "[ . 1 . 2]" 1
248 1 15 ASP HB2 1 16 GLU H . . 4.600 3.785 2.255 4.656 0.056 8 0 "[ . 1 . 2]" 1
249 1 15 ASP HB3 1 16 GLU H . . 4.600 3.316 1.947 4.474 . 0 0 "[ . 1 . 2]" 1
250 1 97 LEU H 1 97 LEU HG . . 3.010 2.411 2.162 2.918 . 0 0 "[ . 1 . 2]" 1
251 1 97 LEU H 1 98 THR MG . . 4.850 4.664 4.301 4.854 0.004 13 0 "[ . 1 . 2]" 1
252 1 56 VAL H 1 57 ARG H . . 4.530 4.343 4.204 4.414 . 0 0 "[ . 1 . 2]" 1
253 1 57 ARG H 1 58 VAL H . . 4.540 4.456 4.424 4.525 . 0 0 "[ . 1 . 2]" 1
254 1 57 ARG H 1 60 ASP H . . 4.020 3.789 3.562 4.042 0.022 14 0 "[ . 1 . 2]" 1
255 1 44 PHE QD 1 57 ARG H . . 4.560 4.042 3.723 4.336 . 0 0 "[ . 1 . 2]" 1
256 1 57 ARG H 1 60 ASP HB2 . . 3.230 2.647 2.292 2.956 . 0 0 "[ . 1 . 2]" 1
257 1 56 VAL HB 1 57 ARG H . . 3.800 2.872 2.473 3.297 . 0 0 "[ . 1 . 2]" 1
258 1 57 ARG H 1 57 ARG HG2 . . 3.430 2.360 1.961 2.786 . 0 0 "[ . 1 . 2]" 1
259 1 49 GLY H 1 50 ALA H . . 5.180 4.309 4.171 4.390 . 0 0 "[ . 1 . 2]" 1
260 1 38 SER H 1 39 ASN H . . 4.530 4.148 3.825 4.348 . 0 0 "[ . 1 . 2]" 1
261 1 79 VAL H 1 96 SER HA . . 3.890 3.189 2.628 3.384 . 0 0 "[ . 1 . 2]" 1
262 1 38 SER HA 1 39 ASN H . . 2.930 2.156 2.139 2.256 . 0 0 "[ . 1 . 2]" 1
263 1 39 ASN H 1 42 GLY HA2 . . 5.100 4.149 3.943 4.393 . 0 0 "[ . 1 . 2]" 1
264 1 39 ASN H 1 42 GLY HA3 . . 5.100 4.799 4.733 4.885 . 0 0 "[ . 1 . 2]" 1
265 1 79 VAL H 1 79 VAL MG1 . . 3.170 2.966 2.910 2.988 . 0 0 "[ . 1 . 2]" 1
266 1 72 ILE H 1 73 SER H . . 4.460 4.095 3.966 4.365 . 0 0 "[ . 1 . 2]" 1
267 1 72 ILE HA 1 73 SER H . . 2.870 2.152 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
268 1 73 SER H 1 73 SER HB3 . . 4.010 3.472 2.659 3.901 . 0 0 "[ . 1 . 2]" 1
269 1 73 SER H 1 73 SER HB2 . . 4.010 2.778 2.473 2.885 . 0 0 "[ . 1 . 2]" 1
270 1 33 MET ME 1 73 SER H . . 4.370 4.132 3.674 4.393 0.023 3 0 "[ . 1 . 2]" 1
271 1 72 ILE HB 1 73 SER H . . 4.390 4.334 4.116 4.401 0.011 11 0 "[ . 1 . 2]" 1
272 1 36 THR MG 1 73 SER H . . 3.810 3.683 3.033 3.815 0.005 14 0 "[ . 1 . 2]" 1
273 1 72 ILE HG12 1 73 SER H . . 4.800 4.559 4.296 4.679 . 0 0 "[ . 1 . 2]" 1
274 1 72 ILE MG 1 73 SER H . . 3.210 2.818 2.183 3.092 . 0 0 "[ . 1 . 2]" 1
275 1 18 ARG H 1 19 VAL H . . 4.700 4.370 2.596 4.610 . 0 0 "[ . 1 . 2]" 1
276 1 18 ARG HA 1 19 VAL H . . 2.850 2.671 2.320 3.545 0.695 18 2 "[ . 1 . +-2]" 1
277 1 18 ARG HB2 1 19 VAL H . . 3.580 3.252 1.952 3.646 0.066 20 0 "[ . 1 . 2]" 1
278 1 18 ARG HB3 1 19 VAL H . . 3.620 2.221 1.945 3.747 0.127 19 0 "[ . 1 . 2]" 1
279 1 12 ILE H 1 13 LYS H . . 4.780 4.485 3.756 4.635 . 0 0 "[ . 1 . 2]" 1
280 1 11 VAL HB 1 12 ILE H . . 3.520 3.064 1.947 3.886 0.366 11 0 "[ . 1 . 2]" 1
281 1 12 ILE H 1 12 ILE HB . . 3.810 3.177 2.560 3.813 0.003 8 0 "[ . 1 . 2]" 1
282 1 11 VAL MG1 1 12 ILE H . . 4.590 3.277 1.954 3.971 . 0 0 "[ . 1 . 2]" 1
283 1 11 VAL MG2 1 12 ILE H . . 4.590 3.128 1.886 4.169 . 0 0 "[ . 1 . 2]" 1
284 1 81 GLU H 1 93 ARG H . . 3.840 2.941 2.791 3.055 . 0 0 "[ . 1 . 2]" 1
285 1 81 GLU H 1 94 PRO HA . . 3.760 3.493 3.206 3.813 0.053 12 0 "[ . 1 . 2]" 1
286 1 81 GLU H 1 92 GLU HA . . 5.160 4.839 4.703 4.973 . 0 0 "[ . 1 . 2]" 1
287 1 81 GLU H 1 93 ARG HA . . 5.490 4.638 4.474 4.843 . 0 0 "[ . 1 . 2]" 1
288 1 80 ILE HA 1 81 GLU H . . 3.130 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
289 1 80 ILE HB 1 81 GLU H . . 4.780 4.459 4.428 4.472 . 0 0 "[ . 1 . 2]" 1
290 1 81 GLU H 1 93 ARG HB3 . . 3.770 3.338 3.038 3.796 0.026 19 0 "[ . 1 . 2]" 1
291 1 80 ILE MG 1 81 GLU H . . 3.600 2.870 2.738 2.895 . 0 0 "[ . 1 . 2]" 1
292 1 99 LEU H 1 100 LYS H . . 4.620 4.530 4.422 4.615 . 0 0 "[ . 1 . 2]" 1
293 1 98 THR HB 1 99 LEU H . . 3.360 2.677 2.473 2.856 . 0 0 "[ . 1 . 2]" 1
294 1 33 MET HG2 1 99 LEU H . . 5.500 4.889 3.533 5.549 0.049 18 0 "[ . 1 . 2]" 1
295 1 33 MET HG3 1 99 LEU H . . 5.500 5.190 4.032 5.535 0.035 6 0 "[ . 1 . 2]" 1
296 1 99 LEU H 1 99 LEU HB2 . . 3.290 2.118 2.042 2.220 . 0 0 "[ . 1 . 2]" 1
297 1 99 LEU H 1 99 LEU HB3 . . 3.290 3.033 2.836 3.409 0.119 6 0 "[ . 1 . 2]" 1
298 1 98 THR MG 1 99 LEU H . . 3.960 3.843 3.673 3.975 0.015 16 0 "[ . 1 . 2]" 1
299 1 12 ILE HA 1 13 LYS H . . 2.760 2.285 2.140 2.604 . 0 0 "[ . 1 . 2]" 1
300 1 13 LYS H 1 14 PRO HD2 . . 5.030 4.769 4.672 4.811 . 0 0 "[ . 1 . 2]" 1
301 1 12 ILE HB 1 13 LYS H . . 4.100 3.280 1.953 4.192 0.092 11 0 "[ . 1 . 2]" 1
302 1 13 LYS H 1 13 LYS HB2 . . 4.110 3.294 2.331 3.927 . 0 0 "[ . 1 . 2]" 1
303 1 73 SER H 1 76 LYS H . . 3.820 3.635 3.497 3.818 . 0 0 "[ . 1 . 2]" 1
304 1 75 GLY H 1 76 LYS H . . 3.650 2.024 1.879 2.152 . 0 0 "[ . 1 . 2]" 1
305 1 33 MET ME 1 76 LYS H . . 3.770 2.818 2.328 3.753 . 0 0 "[ . 1 . 2]" 1
306 1 76 LYS H 1 76 LYS HB3 . . 3.670 3.527 3.373 3.597 . 0 0 "[ . 1 . 2]" 1
307 1 76 LYS H 1 76 LYS HG2 . . 4.330 2.836 2.191 3.010 . 0 0 "[ . 1 . 2]" 1
308 1 76 LYS H 1 76 LYS HG3 . . 4.330 4.059 3.122 4.356 0.026 1 0 "[ . 1 . 2]" 1
309 1 72 ILE MG 1 76 LYS H . . 5.500 5.111 4.785 5.452 . 0 0 "[ . 1 . 2]" 1
310 1 76 LYS H 1 77 ILE MD . . 5.500 3.929 2.990 5.379 . 0 0 "[ . 1 . 2]" 1
311 1 29 GLU H 1 31 PHE H . . 4.520 4.058 4.000 4.141 . 0 0 "[ . 1 . 2]" 1
312 1 31 PHE H 1 32 GLU H . . 4.660 4.597 4.569 4.615 . 0 0 "[ . 1 . 2]" 1
313 1 30 THR HA 1 31 PHE H . . 3.550 3.435 3.414 3.457 . 0 0 "[ . 1 . 2]" 1
314 1 31 PHE H 1 31 PHE HB3 . . 3.760 3.634 3.598 3.675 . 0 0 "[ . 1 . 2]" 1
315 1 31 PHE H 1 31 PHE HB2 . . 3.260 2.555 2.487 2.645 . 0 0 "[ . 1 . 2]" 1
316 1 29 GLU HG3 1 31 PHE H . . 4.720 4.632 4.447 4.719 . 0 0 "[ . 1 . 2]" 1
317 1 29 GLU HB2 1 31 PHE H . . 5.500 5.208 5.126 5.286 . 0 0 "[ . 1 . 2]" 1
318 1 29 GLU HB3 1 31 PHE H . . 5.500 5.511 5.506 5.520 0.020 20 0 "[ . 1 . 2]" 1
319 1 31 PHE H 1 47 VAL MG2 . . 5.040 4.804 4.622 5.005 . 0 0 "[ . 1 . 2]" 1
320 1 24 GLU H 1 26 PHE QD . . 4.940 4.739 4.448 5.003 0.063 17 0 "[ . 1 . 2]" 1
321 1 38 SER HA 1 43 THR H . . 5.120 4.896 4.740 5.080 . 0 0 "[ . 1 . 2]" 1
322 1 42 GLY HA2 1 43 THR H . . 3.270 2.840 2.701 2.998 . 0 0 "[ . 1 . 2]" 1
323 1 42 GLY HA3 1 43 THR H . . 3.270 2.321 2.215 2.431 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLN HB3 1 24 GLU H . . 3.470 2.756 1.941 3.449 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU HB2 1 24 GLU H . . 3.910 3.005 2.457 3.275 . 0 0 "[ . 1 . 2]" 1
326 1 43 THR H 1 43 THR MG . . 4.020 3.850 3.520 3.918 . 0 0 "[ . 1 . 2]" 1
327 1 61 TYR H 1 69 VAL H . . 5.130 4.945 4.861 5.009 . 0 0 "[ . 1 . 2]" 1
328 1 61 TYR H 1 61 TYR QD . . 3.470 2.722 2.589 2.859 . 0 0 "[ . 1 . 2]" 1
329 1 61 TYR H 1 68 LYS HA . . 4.950 4.762 4.639 4.837 . 0 0 "[ . 1 . 2]" 1
330 1 60 ASP HB3 1 61 TYR H . . 3.080 2.252 1.976 2.447 . 0 0 "[ . 1 . 2]" 1
331 1 61 TYR H 1 61 TYR HB2 . . 3.260 2.778 2.660 2.855 . 0 0 "[ . 1 . 2]" 1
332 1 56 VAL HB 1 61 TYR H . . 4.850 4.446 4.108 4.673 . 0 0 "[ . 1 . 2]" 1
333 1 34 VAL H 1 48 LYS H . . 4.140 3.671 3.363 4.051 . 0 0 "[ . 1 . 2]" 1
334 1 34 VAL H 1 34 VAL HB . . 4.090 3.110 2.492 3.791 . 0 0 "[ . 1 . 2]" 1
335 1 33 MET ME 1 34 VAL H . . 5.110 4.554 3.891 4.919 . 0 0 "[ . 1 . 2]" 1
336 1 34 VAL H 1 48 LYS HB2 . . 5.320 4.719 4.343 5.251 . 0 0 "[ . 1 . 2]" 1
337 1 33 MET HB2 1 34 VAL H . . 4.500 4.268 4.014 4.498 . 0 0 "[ . 1 . 2]" 1
338 1 34 VAL H 1 46 LEU HB2 . . 4.230 3.912 3.653 4.058 . 0 0 "[ . 1 . 2]" 1
339 1 27 ASN H 1 28 ILE H . . 5.090 4.618 4.575 4.645 . 0 0 "[ . 1 . 2]" 1
340 1 26 PHE QD 1 27 ASN H . . 4.270 3.942 3.720 4.083 . 0 0 "[ . 1 . 2]" 1
341 1 26 PHE H 1 27 ASN H . . 4.560 4.477 4.409 4.555 . 0 0 "[ . 1 . 2]" 1
342 1 27 ASN H 1 27 ASN HB3 . . 3.610 3.470 3.312 3.543 . 0 0 "[ . 1 . 2]" 1
343 1 26 PHE HB3 1 27 ASN H . . 3.530 2.365 1.967 2.716 . 0 0 "[ . 1 . 2]" 1
344 1 27 ASN H 1 27 ASN HB2 . . 3.580 2.180 2.128 2.276 . 0 0 "[ . 1 . 2]" 1
345 1 26 PHE HB2 1 27 ASN H . . 3.990 3.363 2.989 3.730 . 0 0 "[ . 1 . 2]" 1
346 1 69 VAL HA 1 70 VAL H . . 3.020 2.147 2.141 2.164 . 0 0 "[ . 1 . 2]" 1
347 1 70 VAL H 1 78 ASP HB3 . . 4.920 4.653 4.212 4.923 0.003 1 0 "[ . 1 . 2]" 1
348 1 70 VAL H 1 70 VAL HB . . 4.190 3.808 3.796 3.820 . 0 0 "[ . 1 . 2]" 1
349 1 69 VAL HB 1 70 VAL H . . 4.670 4.189 4.086 4.244 . 0 0 "[ . 1 . 2]" 1
350 1 70 VAL H 1 78 ASP HB2 . . 5.080 4.306 3.894 4.648 . 0 0 "[ . 1 . 2]" 1
351 1 70 VAL H 1 70 VAL MG1 . . 2.860 2.699 2.591 2.784 . 0 0 "[ . 1 . 2]" 1
352 1 70 VAL H 1 79 VAL MG1 . . 3.530 2.744 2.682 2.822 . 0 0 "[ . 1 . 2]" 1
353 1 87 GLU H 1 88 GLY H . . 3.600 2.185 1.897 2.686 . 0 0 "[ . 1 . 2]" 1
354 1 86 GLY H 1 87 GLU H . . 3.630 2.265 1.888 2.799 . 0 0 "[ . 1 . 2]" 1
355 1 14 PRO HB2 1 15 ASP H . . 3.980 2.958 2.068 3.511 . 0 0 "[ . 1 . 2]" 1
356 1 45 ALA H 1 57 ARG H . . 5.500 4.568 4.343 4.825 . 0 0 "[ . 1 . 2]" 1
357 1 44 PHE QD 1 45 ALA H . . 4.520 4.123 3.954 4.318 . 0 0 "[ . 1 . 2]" 1
358 1 44 PHE HB2 1 45 ALA H . . 3.970 3.653 3.499 3.836 . 0 0 "[ . 1 . 2]" 1
359 1 44 PHE HB3 1 45 ALA H . . 3.790 2.678 2.434 2.962 . 0 0 "[ . 1 . 2]" 1
360 1 45 ALA H 1 57 ARG HB3 . . 4.770 4.033 3.441 4.772 0.002 19 0 "[ . 1 . 2]" 1
361 1 45 ALA H 1 45 ALA MB . . 3.260 2.349 2.302 2.423 . 0 0 "[ . 1 . 2]" 1
362 1 36 THR MG 1 45 ALA H . . 4.570 4.402 4.149 4.559 . 0 0 "[ . 1 . 2]" 1
363 1 45 ALA H 1 72 ILE MG . . 4.860 3.844 3.441 4.249 . 0 0 "[ . 1 . 2]" 1
364 1 65 ASN H 1 65 ASN HD21 . . 4.880 3.872 3.552 4.201 . 0 0 "[ . 1 . 2]" 1
365 1 65 ASN H 1 67 GLY H . . 4.940 3.648 3.504 3.822 . 0 0 "[ . 1 . 2]" 1
366 1 65 ASN H 1 65 ASN HD22 . . 5.220 4.317 4.036 4.780 . 0 0 "[ . 1 . 2]" 1
367 1 65 ASN H 1 66 ASP HA . . 5.500 4.695 4.502 4.731 . 0 0 "[ . 1 . 2]" 1
368 1 90 TRP HB3 1 91 LEU H . . 3.610 2.488 2.392 2.633 . 0 0 "[ . 1 . 2]" 1
369 1 80 ILE H 1 95 ARG H . . 5.470 5.023 4.763 5.068 . 0 0 "[ . 1 . 2]" 1
370 1 81 GLU H 1 95 ARG H . . 4.330 3.484 3.007 3.911 . 0 0 "[ . 1 . 2]" 1
371 1 94 PRO HA 1 95 ARG H . . 2.880 2.235 2.171 2.280 . 0 0 "[ . 1 . 2]" 1
372 1 80 ILE HA 1 95 ARG H . . 3.570 3.220 2.729 3.386 . 0 0 "[ . 1 . 2]" 1
373 1 80 ILE MD 1 95 ARG H . . 3.960 3.851 3.519 3.998 0.038 16 0 "[ . 1 . 2]" 1
374 1 29 GLU H 1 29 GLU HB3 . . 3.650 2.631 2.505 2.809 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLU H 1 29 GLU HB2 . . 3.650 3.609 3.581 3.633 . 0 0 "[ . 1 . 2]" 1
376 1 29 GLU H 1 29 GLU HG2 . . 3.380 2.239 2.034 2.551 . 0 0 "[ . 1 . 2]" 1
377 1 72 ILE H 1 78 ASP H . . 4.890 4.430 4.164 4.660 . 0 0 "[ . 1 . 2]" 1
378 1 71 GLY HA2 1 72 ILE H . . 2.620 2.208 2.181 2.258 . 0 0 "[ . 1 . 2]" 1
379 1 101 GLU HA 1 102 ARG H . . 3.500 2.574 2.140 3.555 0.055 11 0 "[ . 1 . 2]" 1
380 1 101 GLU HG2 1 102 ARG H . . 5.230 3.710 1.955 5.048 . 0 0 "[ . 1 . 2]" 1
381 1 101 GLU HG3 1 102 ARG H . . 5.230 3.806 2.350 5.217 . 0 0 "[ . 1 . 2]" 1
382 1 102 ARG H 1 102 ARG HG2 . . 5.440 3.570 1.997 5.223 . 0 0 "[ . 1 . 2]" 1
383 1 102 ARG H 1 102 ARG HG3 . . 5.440 3.931 2.891 4.753 . 0 0 "[ . 1 . 2]" 1
384 1 72 ILE H 1 72 ILE HB . . 3.220 2.746 2.677 2.816 . 0 0 "[ . 1 . 2]" 1
385 1 43 THR MG 1 72 ILE H . . 4.720 4.519 3.946 4.724 0.004 5 0 "[ . 1 . 2]" 1
386 1 72 ILE H 1 72 ILE HG13 . . 3.230 3.030 2.956 3.099 . 0 0 "[ . 1 . 2]" 1
387 1 72 ILE H 1 72 ILE MG . . 3.940 3.881 3.857 3.905 . 0 0 "[ . 1 . 2]" 1
388 1 59 GLY H 1 60 ASP H . . 3.270 2.727 2.518 2.850 . 0 0 "[ . 1 . 2]" 1
389 1 58 VAL HA 1 60 ASP H . . 3.950 3.741 3.617 3.895 . 0 0 "[ . 1 . 2]" 1
390 1 60 ASP H 1 60 ASP HB2 . . 2.920 2.301 2.243 2.401 . 0 0 "[ . 1 . 2]" 1
391 1 60 ASP H 1 69 VAL HB . . 4.320 2.941 2.719 3.168 . 0 0 "[ . 1 . 2]" 1
392 1 56 VAL HB 1 60 ASP H . . 5.030 4.279 4.109 4.522 . 0 0 "[ . 1 . 2]" 1
393 1 53 VAL H 1 54 HIS H . . 4.710 4.451 4.201 4.526 . 0 0 "[ . 1 . 2]" 1
394 1 49 GLY H 1 53 VAL H . . 5.270 4.797 4.588 4.897 . 0 0 "[ . 1 . 2]" 1
395 1 52 GLY HA3 1 53 VAL H . . 3.490 2.396 2.175 2.619 . 0 0 "[ . 1 . 2]" 1
396 1 53 VAL H 1 53 VAL HB . . 3.760 3.692 3.653 3.769 0.009 10 0 "[ . 1 . 2]" 1
397 1 53 VAL H 1 53 VAL MG1 . . 3.350 3.061 2.890 3.331 . 0 0 "[ . 1 . 2]" 1
398 1 53 VAL H 1 53 VAL MG2 . . 4.000 2.009 1.897 2.196 . 0 0 "[ . 1 . 2]" 1
399 1 85 ASP H 1 87 GLU H . . 4.290 4.008 3.517 4.275 . 0 0 "[ . 1 . 2]" 1
400 1 85 ASP H 1 89 ASN HD21 . . 5.500 5.129 4.820 5.486 . 0 0 "[ . 1 . 2]" 1
401 1 85 ASP H 1 90 TRP HA . . 3.540 3.202 2.914 3.549 0.009 11 0 "[ . 1 . 2]" 1
402 1 84 PRO HA 1 85 ASP H . . 2.910 2.264 2.209 2.371 . 0 0 "[ . 1 . 2]" 1
403 1 85 ASP H 1 85 ASP HB2 . . 3.640 2.670 2.175 2.994 . 0 0 "[ . 1 . 2]" 1
404 1 85 ASP H 1 85 ASP HB3 . . 3.640 2.670 2.322 3.551 . 0 0 "[ . 1 . 2]" 1
405 1 84 PRO HG2 1 85 ASP H . . 4.830 4.687 4.478 4.804 . 0 0 "[ . 1 . 2]" 1
406 1 84 PRO HB2 1 85 ASP H . . 3.330 3.003 2.687 3.197 . 0 0 "[ . 1 . 2]" 1
407 1 32 GLU H 1 48 LYS H . . 3.660 2.791 2.564 2.992 . 0 0 "[ . 1 . 2]" 1
408 1 31 PHE QD 1 32 GLU H . . 4.150 3.970 3.832 4.117 . 0 0 "[ . 1 . 2]" 1
409 1 31 PHE HA 1 32 GLU H . . 2.980 2.312 2.256 2.463 . 0 0 "[ . 1 . 2]" 1
410 1 31 PHE HB3 1 32 GLU H . . 3.690 2.688 2.314 2.867 . 0 0 "[ . 1 . 2]" 1
411 1 31 PHE HB2 1 32 GLU H . . 3.760 3.717 3.476 3.776 0.016 16 0 "[ . 1 . 2]" 1
412 1 32 GLU H 1 32 GLU HG2 . . 4.320 3.401 2.099 4.337 0.017 5 0 "[ . 1 . 2]" 1
413 1 32 GLU H 1 32 GLU HG3 . . 4.320 3.332 2.273 4.023 . 0 0 "[ . 1 . 2]" 1
414 1 32 GLU H 1 48 LYS HB3 . . 3.980 3.695 3.244 3.987 0.007 15 0 "[ . 1 . 2]" 1
415 1 32 GLU H 1 47 VAL MG2 . . 3.760 2.402 2.171 2.537 . 0 0 "[ . 1 . 2]" 1
416 1 91 LEU H 1 92 GLU H . . 4.610 4.405 4.380 4.440 . 0 0 "[ . 1 . 2]" 1
417 1 92 GLU H 1 92 GLU HG2 . . 3.850 2.843 1.949 3.829 . 0 0 "[ . 1 . 2]" 1
418 1 92 GLU H 1 92 GLU HB2 . . 3.710 3.129 2.337 3.636 . 0 0 "[ . 1 . 2]" 1
419 1 92 GLU H 1 92 GLU HG3 . . 3.850 3.006 1.955 3.774 . 0 0 "[ . 1 . 2]" 1
420 1 92 GLU H 1 92 GLU HB3 . . 3.710 3.077 2.478 3.657 . 0 0 "[ . 1 . 2]" 1
421 1 91 LEU HB3 1 92 GLU H . . 3.120 2.756 2.404 3.128 0.008 20 0 "[ . 1 . 2]" 1
422 1 77 ILE H 1 97 LEU H . . 3.360 2.680 2.257 2.838 . 0 0 "[ . 1 . 2]" 1
423 1 77 ILE H 1 99 LEU H . . 5.500 5.294 5.011 5.517 0.017 20 0 "[ . 1 . 2]" 1
424 1 76 LYS H 1 77 ILE H . . 4.730 4.301 4.228 4.369 . 0 0 "[ . 1 . 2]" 1
425 1 77 ILE H 1 77 ILE HG12 . . 5.060 3.452 2.684 4.543 . 0 0 "[ . 1 . 2]" 1
426 1 77 ILE H 1 77 ILE HG13 . . 5.060 3.675 2.935 4.206 . 0 0 "[ . 1 . 2]" 1
427 1 76 LYS HB2 1 77 ILE H . . 3.320 2.645 2.163 2.886 . 0 0 "[ . 1 . 2]" 1
428 1 77 ILE H 1 77 ILE HB . . 3.200 2.787 2.673 2.867 . 0 0 "[ . 1 . 2]" 1
429 1 77 ILE H 1 77 ILE MG . . 4.020 3.909 3.860 3.944 . 0 0 "[ . 1 . 2]" 1
430 1 77 ILE H 1 77 ILE MD . . 4.190 3.580 2.706 4.069 . 0 0 "[ . 1 . 2]" 1
431 1 90 TRP H 1 91 LEU H . . 4.750 4.549 4.504 4.571 . 0 0 "[ . 1 . 2]" 1
432 1 90 TRP H 1 90 TRP HD1 . . 3.640 2.459 2.212 2.771 . 0 0 "[ . 1 . 2]" 1
433 1 90 TRP H 1 90 TRP HB3 . . 3.790 3.691 3.661 3.751 . 0 0 "[ . 1 . 2]" 1
434 1 46 LEU H 1 47 VAL H . . 4.540 4.309 4.188 4.449 . 0 0 "[ . 1 . 2]" 1
435 1 37 LEU H 1 46 LEU H . . 4.460 4.012 3.581 4.299 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLY H 1 46 LEU H . . 4.160 3.649 3.292 3.799 . 0 0 "[ . 1 . 2]" 1
437 1 45 ALA MB 1 46 LEU H . . 3.220 3.016 2.734 3.180 . 0 0 "[ . 1 . 2]" 1
438 1 46 LEU H 1 46 LEU HB2 . . 3.380 2.761 2.647 2.862 . 0 0 "[ . 1 . 2]" 1
439 1 46 LEU H 1 46 LEU HB3 . . 4.180 3.727 3.628 3.814 . 0 0 "[ . 1 . 2]" 1
440 1 46 LEU H 1 46 LEU MD1 . . 4.490 3.903 3.730 4.082 . 0 0 "[ . 1 . 2]" 1
441 1 46 LEU H 1 46 LEU MD2 . . 4.490 3.053 2.709 3.138 . 0 0 "[ . 1 . 2]" 1
442 1 82 ILE H 1 82 ILE HB . . 3.340 2.593 2.381 2.770 . 0 0 "[ . 1 . 2]" 1
443 1 82 ILE H 1 82 ILE MD . . 3.610 3.148 2.092 3.566 . 0 0 "[ . 1 . 2]" 1
444 1 28 ILE H 1 29 GLU H . . 4.160 2.358 2.225 2.701 . 0 0 "[ . 1 . 2]" 1
445 1 27 ASN HB3 1 29 GLU H . . 3.880 2.433 2.277 2.580 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLU H 1 30 THR MG . . 4.050 3.836 3.497 4.052 0.002 4 0 "[ . 1 . 2]" 1
447 1 28 ILE MG 1 29 GLU H . . 3.330 2.183 1.971 2.348 . 0 0 "[ . 1 . 2]" 1
448 1 83 VAL H 1 91 LEU H . . 3.670 2.682 2.546 2.810 . 0 0 "[ . 1 . 2]" 1
449 1 82 ILE H 1 83 VAL H . . 4.760 4.477 4.419 4.560 . 0 0 "[ . 1 . 2]" 1
450 1 83 VAL H 1 90 TRP HE3 . . 4.770 3.390 3.208 3.609 . 0 0 "[ . 1 . 2]" 1
451 1 83 VAL H 1 84 PRO HD2 . . 5.020 4.806 4.778 4.818 . 0 0 "[ . 1 . 2]" 1
452 1 83 VAL H 1 84 PRO HD3 . . 5.020 4.841 4.605 4.943 . 0 0 "[ . 1 . 2]" 1
453 1 83 VAL H 1 90 TRP HB2 . . 5.250 5.237 5.076 5.275 0.025 1 0 "[ . 1 . 2]" 1
454 1 83 VAL H 1 83 VAL HB . . 4.050 3.652 3.198 3.882 . 0 0 "[ . 1 . 2]" 1
455 1 82 ILE HB 1 83 VAL H . . 4.200 4.079 3.874 4.221 0.021 16 0 "[ . 1 . 2]" 1
456 1 82 ILE HG12 1 83 VAL H . . 5.500 5.109 4.975 5.181 . 0 0 "[ . 1 . 2]" 1
457 1 82 ILE HG13 1 83 VAL H . . 5.500 5.115 3.925 5.486 . 0 0 "[ . 1 . 2]" 1
458 1 90 TRP H 1 90 TRP HE1 . . 4.980 4.772 4.573 5.005 0.025 18 0 "[ . 1 . 2]" 1
459 1 13 LYS HA 1 90 TRP HE1 . . 4.300 2.837 2.157 3.742 . 0 0 "[ . 1 . 2]" 1
460 1 14 PRO HD2 1 90 TRP HE1 . . 4.200 2.288 1.951 2.866 . 0 0 "[ . 1 . 2]" 1
461 1 14 PRO HD3 1 90 TRP HE1 . . 4.010 2.875 2.247 3.284 . 0 0 "[ . 1 . 2]" 1
462 1 13 LYS HB3 1 90 TRP HE1 . . 4.080 2.833 2.258 3.681 . 0 0 "[ . 1 . 2]" 1
463 1 14 PRO HG2 1 90 TRP HE1 . . 4.560 4.188 3.956 4.510 . 0 0 "[ . 1 . 2]" 1
464 1 14 PRO HG3 1 90 TRP HE1 . . 4.560 4.058 3.438 4.340 . 0 0 "[ . 1 . 2]" 1
465 1 34 VAL H 1 47 VAL H . . 5.500 4.483 4.264 4.752 . 0 0 "[ . 1 . 2]" 1
466 1 34 VAL H 1 46 LEU H . . 5.500 4.786 4.536 4.940 . 0 0 "[ . 1 . 2]" 1
467 1 38 SER H 1 38 SER HB2 . . 4.020 3.711 2.822 3.942 . 0 0 "[ . 1 . 2]" 1
468 1 38 SER H 1 38 SER HB3 . . 4.020 3.066 2.692 3.490 . 0 0 "[ . 1 . 2]" 1
469 1 37 LEU HG 1 38 SER H . . 4.190 4.116 1.908 4.256 0.066 9 0 "[ . 1 . 2]" 1
470 1 21 GLN H 1 22 PHE H . . 5.500 4.409 1.985 4.647 . 0 0 "[ . 1 . 2]" 1
471 1 21 GLN H 1 23 LEU H . . 5.500 5.360 4.961 5.522 0.022 14 0 "[ . 1 . 2]" 1
472 1 54 HIS H 1 55 ARG H . . 4.500 4.409 4.261 4.476 . 0 0 "[ . 1 . 2]" 1
473 1 54 HIS HD2 1 55 ARG H . . 5.500 5.213 5.041 5.619 0.119 14 0 "[ . 1 . 2]" 1
474 1 54 HIS HA 1 55 ARG H . . 2.890 2.262 2.148 2.427 . 0 0 "[ . 1 . 2]" 1
475 1 54 HIS HB3 1 55 ARG H . . 3.720 3.077 2.724 3.537 . 0 0 "[ . 1 . 2]" 1
476 1 54 HIS HB2 1 55 ARG H . . 3.850 3.491 2.905 3.871 0.021 17 0 "[ . 1 . 2]" 1
477 1 15 ASP HA 1 18 ARG H . . 5.500 4.980 3.823 5.635 0.135 20 0 "[ . 1 . 2]" 1
478 1 48 LYS H 1 54 HIS H . . 5.500 4.781 4.619 4.883 . 0 0 "[ . 1 . 2]" 1
479 1 52 GLY H 1 53 VAL H . . 4.550 4.179 3.764 4.388 . 0 0 "[ . 1 . 2]" 1
480 1 33 MET H 1 34 VAL H . . 4.730 4.524 4.408 4.631 . 0 0 "[ . 1 . 2]" 1
481 1 32 GLU H 1 33 MET H . . 4.640 4.205 3.995 4.280 . 0 0 "[ . 1 . 2]" 1
482 1 33 MET H 1 99 LEU HA . . 5.190 4.500 4.082 4.843 . 0 0 "[ . 1 . 2]" 1
483 1 31 PHE HB3 1 33 MET H . . 5.500 5.464 5.082 5.522 0.022 19 0 "[ . 1 . 2]" 1
484 1 33 MET H 1 33 MET HG2 . . 5.210 4.389 4.159 4.606 . 0 0 "[ . 1 . 2]" 1
485 1 33 MET H 1 33 MET HG3 . . 5.210 4.442 4.209 4.506 . 0 0 "[ . 1 . 2]" 1
486 1 33 MET H 1 33 MET HB2 . . 3.200 2.453 2.191 2.627 . 0 0 "[ . 1 . 2]" 1
487 1 43 THR H 1 44 PHE H . . 4.430 4.272 4.073 4.440 0.010 18 0 "[ . 1 . 2]" 1
488 1 74 GLU H 1 76 LYS H . . 4.830 3.661 3.541 4.008 . 0 0 "[ . 1 . 2]" 1
489 1 60 ASP H 1 61 TYR HA . . 5.500 5.494 5.401 5.536 0.036 12 0 "[ . 1 . 2]" 1
490 1 43 THR H 1 58 VAL H . . 5.500 5.149 4.439 5.508 0.008 13 0 "[ . 1 . 2]" 1
491 1 58 VAL H 1 60 ASP H . . 5.500 4.650 4.551 4.807 . 0 0 "[ . 1 . 2]" 1
492 1 89 ASN H 1 89 ASN HD22 . . 4.430 3.434 2.950 4.243 . 0 0 "[ . 1 . 2]" 1
493 1 89 ASN H 1 89 ASN HB3 . . 3.710 2.958 2.450 3.899 0.189 11 0 "[ . 1 . 2]" 1
494 1 58 VAL H 1 58 VAL HB . . 2.740 2.612 2.512 2.685 . 0 0 "[ . 1 . 2]" 1
495 1 57 ARG HB2 1 58 VAL H . . 2.780 2.135 2.059 2.316 . 0 0 "[ . 1 . 2]" 1
496 1 39 ASN H 1 41 GLN H . . 4.590 4.259 4.162 4.471 . 0 0 "[ . 1 . 2]" 1
497 1 39 ASN H 1 44 PHE QE . . 4.880 4.062 3.648 4.430 . 0 0 "[ . 1 . 2]" 1
498 1 39 ASN H 1 44 PHE QD . . 4.960 4.236 3.944 4.705 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU H 1 45 ALA H . . 5.450 4.639 4.379 4.808 . 0 0 "[ . 1 . 2]" 1
500 1 37 LEU H 1 44 PHE H . . 3.930 3.472 3.067 3.771 . 0 0 "[ . 1 . 2]" 1
501 1 36 THR H 1 37 LEU H . . 4.820 4.280 4.057 4.409 . 0 0 "[ . 1 . 2]" 1
502 1 37 LEU H 1 44 PHE QD . . 5.190 4.562 4.378 4.757 . 0 0 "[ . 1 . 2]" 1
503 1 37 LEU H 1 44 PHE HB3 . . 4.650 4.549 4.175 4.662 0.012 1 0 "[ . 1 . 2]" 1
504 1 33 MET ME 1 37 LEU H . . 5.500 5.477 4.957 5.534 0.034 1 0 "[ . 1 . 2]" 1
505 1 27 ASN H 1 29 GLU H . . 5.500 5.420 5.078 5.509 0.009 1 0 "[ . 1 . 2]" 1
506 1 27 ASN H 1 30 THR H . . 5.500 4.569 4.248 4.793 . 0 0 "[ . 1 . 2]" 1
507 1 27 ASN H 1 31 PHE HZ . . 5.500 4.950 4.310 5.509 0.009 19 0 "[ . 1 . 2]" 1
508 1 62 LEU H 1 67 GLY H . . 4.560 3.135 2.882 3.254 . 0 0 "[ . 1 . 2]" 1
509 1 67 GLY H 1 68 LYS H . . 4.520 4.278 4.179 4.341 . 0 0 "[ . 1 . 2]" 1
510 1 65 ASN HA 1 67 GLY H . . 5.380 4.890 4.754 5.179 . 0 0 "[ . 1 . 2]" 1
511 1 66 ASP HB2 1 67 GLY H . . 5.070 4.393 4.249 4.628 . 0 0 "[ . 1 . 2]" 1
512 1 66 ASP HB3 1 67 GLY H . . 5.070 4.374 4.227 4.526 . 0 0 "[ . 1 . 2]" 1
513 1 44 PHE QE 1 57 ARG H . . 5.500 5.444 5.109 5.510 0.010 3 0 "[ . 1 . 2]" 1
514 1 85 ASP H 1 90 TRP H . . 5.210 4.939 4.720 5.076 . 0 0 "[ . 1 . 2]" 1
515 1 13 LYS HB2 1 90 TRP HE1 . . 4.080 3.489 2.021 4.123 0.043 10 0 "[ . 1 . 2]" 1
516 1 73 SER H 1 75 GLY H . . 5.380 4.630 4.097 4.999 . 0 0 "[ . 1 . 2]" 1
517 1 33 MET ME 1 75 GLY H . . 4.800 3.761 2.105 4.811 0.011 16 0 "[ . 1 . 2]" 1
518 1 18 ARG HB2 1 18 ARG HE . . 4.380 3.876 2.035 4.395 0.015 4 0 "[ . 1 . 2]" 1
519 1 18 ARG HE 1 18 ARG HG2 . . 3.950 2.993 2.139 3.780 . 0 0 "[ . 1 . 2]" 1
520 1 89 ASN HA 1 90 TRP HE1 . . 4.940 4.808 4.704 4.954 0.014 12 0 "[ . 1 . 2]" 1
521 1 42 GLY H 1 44 PHE HZ . . 4.710 4.614 4.391 4.716 0.006 19 0 "[ . 1 . 2]" 1
522 1 41 GLN H 1 44 PHE QE . . 4.570 4.232 4.096 4.464 . 0 0 "[ . 1 . 2]" 1
523 1 39 ASN HB2 1 42 GLY H . . 5.500 4.678 4.051 4.835 . 0 0 "[ . 1 . 2]" 1
524 1 39 ASN HB3 1 42 GLY H . . 5.500 4.922 4.795 5.135 . 0 0 "[ . 1 . 2]" 1
525 1 45 ALA H 1 58 VAL H . . 5.500 5.288 4.927 5.523 0.023 14 0 "[ . 1 . 2]" 1
526 1 44 PHE HA 1 45 ALA H . . 2.960 2.320 2.226 2.416 . 0 0 "[ . 1 . 2]" 1
527 1 67 GLY HA2 1 82 ILE H . . 4.550 4.258 4.067 4.552 0.002 12 0 "[ . 1 . 2]" 1
528 1 77 ILE H 1 98 THR H . . 5.500 4.487 4.355 4.549 . 0 0 "[ . 1 . 2]" 1
529 1 62 LEU H 1 62 LEU HB3 . . 3.970 3.590 3.246 3.811 . 0 0 "[ . 1 . 2]" 1
530 1 85 ASP H 1 91 LEU H . . 5.390 4.908 4.584 5.385 . 0 0 "[ . 1 . 2]" 1
531 1 90 TRP HE3 1 91 LEU H . . 4.440 3.680 3.511 3.940 . 0 0 "[ . 1 . 2]" 1
532 1 90 TRP HA 1 91 LEU H . . 3.060 2.390 2.330 2.433 . 0 0 "[ . 1 . 2]" 1
533 1 90 TRP HB2 1 91 LEU H . . 3.690 3.588 3.470 3.717 0.027 8 0 "[ . 1 . 2]" 1
534 1 83 VAL HB 1 91 LEU H . . 5.270 5.200 5.095 5.298 0.028 5 0 "[ . 1 . 2]" 1
535 1 91 LEU H 1 91 LEU HB2 . . 3.280 2.753 2.566 2.991 . 0 0 "[ . 1 . 2]" 1
536 1 32 GLU H 1 47 VAL MG1 . . 4.390 4.346 4.044 4.408 0.018 9 0 "[ . 1 . 2]" 1
537 1 33 MET HA 1 34 VAL H . . 3.180 2.157 2.141 2.241 . 0 0 "[ . 1 . 2]" 1
538 1 36 THR HA 1 37 LEU H . . 3.140 2.228 2.145 2.381 . 0 0 "[ . 1 . 2]" 1
539 1 37 LEU H 1 38 SER H . . 4.690 4.473 4.427 4.565 . 0 0 "[ . 1 . 2]" 1
540 1 43 THR H 1 44 PHE QE . . 4.940 4.610 4.240 4.865 . 0 0 "[ . 1 . 2]" 1
541 1 43 THR H 1 44 PHE HA . . 5.110 4.934 4.781 5.089 . 0 0 "[ . 1 . 2]" 1
542 1 73 SER H 1 74 GLU H . . 4.760 4.387 4.339 4.471 . 0 0 "[ . 1 . 2]" 1
543 1 73 SER H 1 78 ASP H . . 4.450 3.991 3.627 4.453 0.003 3 0 "[ . 1 . 2]" 1
544 1 70 VAL H 1 71 GLY H . . 2.980 1.882 1.865 1.903 . 0 0 "[ . 1 . 2]" 1
545 1 68 LYS H 1 68 LYS HB2 . . 3.430 2.737 2.587 2.871 . 0 0 "[ . 1 . 2]" 1
546 1 67 GLY H 1 82 ILE H . . 5.080 4.764 4.562 5.102 0.022 11 0 "[ . 1 . 2]" 1
547 1 68 LYS HA 1 80 ILE H . . 5.500 4.582 4.523 4.682 . 0 0 "[ . 1 . 2]" 1
548 1 77 ILE H 1 78 ASP H . . 5.010 4.190 4.087 4.257 . 0 0 "[ . 1 . 2]" 1
549 1 77 ILE HA 1 78 ASP H . . 2.940 2.142 2.138 2.155 . 0 0 "[ . 1 . 2]" 1
550 1 90 TRP H 1 90 TRP HB2 . . 2.980 2.559 2.511 2.624 . 0 0 "[ . 1 . 2]" 1
551 1 89 ASN H 1 90 TRP H . . 4.740 4.565 4.422 4.637 . 0 0 "[ . 1 . 2]" 1
552 1 82 ILE HA 1 83 VAL H . . 2.950 2.166 2.147 2.209 . 0 0 "[ . 1 . 2]" 1
553 1 85 ASP H 1 89 ASN H . . 3.940 3.873 2.928 3.954 0.014 1 0 "[ . 1 . 2]" 1
554 1 89 ASN H 1 89 ASN HD21 . . 3.660 2.452 2.109 3.152 . 0 0 "[ . 1 . 2]" 1
555 1 78 ASP HA 1 97 LEU H . . 4.000 3.635 3.466 3.777 . 0 0 "[ . 1 . 2]" 1
556 1 24 GLU H 1 26 PHE H . . 4.540 4.334 4.232 4.425 . 0 0 "[ . 1 . 2]" 1
557 1 23 LEU H 1 26 PHE QD . . 5.030 4.786 4.451 5.036 0.006 6 0 "[ . 1 . 2]" 1
558 1 15 ASP H 1 16 GLU H . . 4.710 4.177 2.799 4.624 . 0 0 "[ . 1 . 2]" 1
559 1 60 ASP HA 1 61 TYR H . . 3.190 2.491 2.403 2.626 . 0 0 "[ . 1 . 2]" 1
560 1 36 THR HA 1 46 LEU H . . 3.060 2.354 2.106 2.676 . 0 0 "[ . 1 . 2]" 1
561 1 37 LEU H 1 45 ALA HA . . 3.550 3.272 3.010 3.511 . 0 0 "[ . 1 . 2]" 1
562 1 45 ALA HA 1 46 LEU H . . 3.050 2.179 2.149 2.279 . 0 0 "[ . 1 . 2]" 1
563 1 65 ASN H 1 66 ASP H . . 3.830 2.627 2.419 2.723 . 0 0 "[ . 1 . 2]" 1
564 1 81 GLU HA 1 82 ILE H . . 2.840 2.317 2.158 2.489 . 0 0 "[ . 1 . 2]" 1
565 1 57 ARG H 1 57 ARG HG3 . . 3.430 2.806 2.062 3.433 0.003 7 0 "[ . 1 . 2]" 1
566 1 37 LEU H 1 46 LEU HG . . 3.900 3.104 2.820 3.566 . 0 0 "[ . 1 . 2]" 1
567 1 37 LEU H 1 37 LEU HB3 . . 3.180 2.710 2.517 3.034 . 0 0 "[ . 1 . 2]" 1
568 1 16 GLU H 1 18 ARG H . . 5.120 4.269 3.145 4.869 . 0 0 "[ . 1 . 2]" 1
569 1 23 LEU MD2 1 24 GLU H . . 4.820 3.895 3.441 4.923 0.103 13 0 "[ . 1 . 2]" 1
570 1 23 LEU MD1 1 24 GLU H . . 4.820 4.349 3.780 4.689 . 0 0 "[ . 1 . 2]" 1
571 1 21 GLN HB2 1 24 GLU H . . 3.470 2.975 2.545 3.408 . 0 0 "[ . 1 . 2]" 1
572 1 24 GLU H 1 25 GLY H . . 2.740 2.593 2.528 2.685 . 0 0 "[ . 1 . 2]" 1
573 1 25 GLY H 1 31 PHE HZ . . 5.370 4.813 4.225 5.178 . 0 0 "[ . 1 . 2]" 1
574 1 63 GLY HA2 1 64 ARG H . . 3.400 2.383 2.263 2.465 . 0 0 "[ . 1 . 2]" 1
575 1 86 GLY H 1 88 GLY H . . 4.310 2.771 2.528 3.131 . 0 0 "[ . 1 . 2]" 1
576 1 70 VAL H 1 80 ILE H . . 4.110 4.017 3.922 4.072 . 0 0 "[ . 1 . 2]" 1
577 1 27 ASN HA 1 64 ARG H . . 3.420 2.737 2.531 3.047 . 0 0 "[ . 1 . 2]" 1
578 1 62 LEU HA 1 63 GLY H . . 3.150 2.278 2.203 2.337 . 0 0 "[ . 1 . 2]" 1
579 1 48 LYS H 1 49 GLY H . . 4.470 4.440 4.290 4.478 0.008 3 0 "[ . 1 . 2]" 1
580 1 45 ALA H 1 46 LEU H . . 4.540 4.420 4.356 4.507 . 0 0 "[ . 1 . 2]" 1
581 1 89 ASN HA 1 90 TRP H . . 3.130 2.258 2.161 2.379 . 0 0 "[ . 1 . 2]" 1
582 1 25 GLY H 1 26 PHE H . . 3.500 2.403 2.154 2.633 . 0 0 "[ . 1 . 2]" 1
583 1 64 ARG H 1 65 ASN HD22 . . 5.500 5.551 5.522 5.629 0.129 11 0 "[ . 1 . 2]" 1
584 1 12 ILE H 1 12 ILE MD . . 4.560 3.600 2.059 4.348 . 0 0 "[ . 1 . 2]" 1
585 1 16 GLU H 1 16 GLU HG2 . . 3.860 2.772 1.963 3.862 0.002 8 0 "[ . 1 . 2]" 1
586 1 16 GLU H 1 16 GLU HG3 . . 3.860 3.106 1.953 3.831 . 0 0 "[ . 1 . 2]" 1
587 1 25 GLY H 1 63 GLY H . . 5.500 5.206 4.654 5.513 0.013 17 0 "[ . 1 . 2]" 1
588 1 24 GLU HG2 1 62 LEU H . . 5.500 4.794 3.698 5.511 0.011 13 0 "[ . 1 . 2]" 1
589 1 28 ILE MD 1 62 LEU H . . 4.280 3.962 3.518 4.321 0.041 11 0 "[ . 1 . 2]" 1
590 1 38 SER HB3 1 39 ASN H . . 4.640 4.287 3.648 4.470 . 0 0 "[ . 1 . 2]" 1
591 1 39 ASN H 1 43 THR HA . . 4.400 3.636 3.496 3.770 . 0 0 "[ . 1 . 2]" 1
592 1 47 VAL MG1 1 49 GLY H . . 4.640 4.539 4.124 4.657 0.017 1 0 "[ . 1 . 2]" 1
593 1 55 ARG H 1 55 ARG HB2 . . 3.960 3.470 2.440 3.862 . 0 0 "[ . 1 . 2]" 1
594 1 55 ARG H 1 55 ARG HB3 . . 3.960 3.226 2.823 3.670 . 0 0 "[ . 1 . 2]" 1
595 1 55 ARG H 1 55 ARG HG2 . . 3.590 2.558 2.029 3.651 0.061 17 0 "[ . 1 . 2]" 1
596 1 62 LEU HB3 1 63 GLY H . . 4.440 3.424 2.685 3.996 . 0 0 "[ . 1 . 2]" 1
597 1 81 GLU H 1 81 GLU HB2 . . 3.080 2.561 2.408 2.693 . 0 0 "[ . 1 . 2]" 1
598 1 80 ILE HG12 1 81 GLU H . . 4.660 4.697 4.576 4.730 0.070 19 0 "[ . 1 . 2]" 1
599 1 79 VAL MG2 1 81 GLU H . . 4.910 4.000 3.860 4.172 . 0 0 "[ . 1 . 2]" 1
600 1 81 GLU H 1 82 ILE MD . . 5.380 4.619 4.294 4.990 . 0 0 "[ . 1 . 2]" 1
601 1 87 GLU H 1 89 ASN H . . 3.550 3.393 3.124 3.554 0.004 15 0 "[ . 1 . 2]" 1
602 1 89 ASN H 1 89 ASN HB2 . . 3.710 3.330 2.627 3.673 . 0 0 "[ . 1 . 2]" 1
603 1 97 LEU H 1 97 LEU HB2 . . 3.100 2.739 2.648 2.844 . 0 0 "[ . 1 . 2]" 1
604 1 33 MET H 1 100 LYS H . . 5.110 4.166 3.670 4.735 . 0 0 "[ . 1 . 2]" 1
605 1 37 LEU H 1 37 LEU HB2 . . 2.960 2.824 2.303 2.973 0.013 20 0 "[ . 1 . 2]" 1
606 1 33 MET H 1 33 MET HB3 . . 3.110 2.610 2.422 2.926 . 0 0 "[ . 1 . 2]" 1
607 1 80 ILE HG12 1 93 ARG H . . 5.500 5.521 5.429 5.553 0.053 12 0 "[ . 1 . 2]" 1
608 1 53 VAL HA 1 54 HIS H . . 3.060 2.202 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
609 1 37 LEU H 1 44 PHE HB2 . . 4.490 3.305 2.997 3.438 . 0 0 "[ . 1 . 2]" 1
610 1 18 ARG HE 1 18 ARG HG3 . . 3.950 2.937 2.174 3.956 0.006 20 0 "[ . 1 . 2]" 1
611 1 90 TRP HA 1 90 TRP HE1 . . 5.500 5.466 5.416 5.517 0.017 18 0 "[ . 1 . 2]" 1
612 1 74 GLU HG2 1 76 LYS H . . 5.500 4.933 4.456 5.537 0.037 17 0 "[ . 1 . 2]" 1
613 1 74 GLU HG3 1 76 LYS H . . 5.500 5.021 4.576 5.316 . 0 0 "[ . 1 . 2]" 1
614 1 76 LYS H 1 76 LYS HE2 . . 5.500 4.953 3.842 5.500 0.000 6 0 "[ . 1 . 2]" 1
615 1 76 LYS H 1 76 LYS HE3 . . 5.500 5.124 3.799 5.503 0.003 9 0 "[ . 1 . 2]" 1
616 1 28 ILE MD 1 67 GLY H . . 4.440 3.559 3.055 4.224 . 0 0 "[ . 1 . 2]" 1
617 1 102 ARG H 1 102 ARG HD2 . . 5.500 4.487 2.553 5.393 . 0 0 "[ . 1 . 2]" 1
618 1 90 TRP HB2 1 90 TRP HD1 . . 3.770 2.744 2.687 2.795 . 0 0 "[ . 1 . 2]" 1
619 1 14 PRO HD3 1 90 TRP HD1 . . 4.100 3.446 2.952 4.105 0.005 1 0 "[ . 1 . 2]" 1
620 1 13 LYS HB3 1 90 TRP HD1 . . 4.780 3.771 2.478 4.543 . 0 0 "[ . 1 . 2]" 1
621 1 68 LYS HA 1 69 VAL H . . 3.140 2.160 2.142 2.241 . 0 0 "[ . 1 . 2]" 1
622 1 61 TYR QD 1 68 LYS HA . . 3.370 2.954 2.816 3.165 . 0 0 "[ . 1 . 2]" 1
623 1 59 GLY H 1 69 VAL HB . . 3.450 2.106 1.945 2.353 . 0 0 "[ . 1 . 2]" 1
624 1 58 VAL HA 1 69 VAL HB . . 3.610 2.417 2.135 2.660 . 0 0 "[ . 1 . 2]" 1
625 1 58 VAL HB 1 59 GLY H . . 4.540 4.262 4.203 4.301 . 0 0 "[ . 1 . 2]" 1
626 1 74 GLU HB2 1 75 GLY H . . 5.120 4.144 3.972 4.352 . 0 0 "[ . 1 . 2]" 1
627 1 74 GLU HB3 1 75 GLY H . . 5.120 4.187 4.049 4.649 . 0 0 "[ . 1 . 2]" 1
628 1 41 GLN HB2 1 44 PHE HZ . . 4.310 3.599 2.666 3.898 . 0 0 "[ . 1 . 2]" 1
629 1 65 ASN HA 1 65 ASN HD21 . . 3.850 2.061 1.940 2.266 . 0 0 "[ . 1 . 2]" 1
630 1 50 ALA HA 1 52 GLY H . . 5.120 4.419 3.643 4.900 . 0 0 "[ . 1 . 2]" 1
631 1 26 PHE QD 1 50 ALA HA . . 5.110 4.584 3.526 5.125 0.015 16 0 "[ . 1 . 2]" 1
632 1 26 PHE HZ 1 50 ALA HA . . 5.500 4.796 3.767 5.464 . 0 0 "[ . 1 . 2]" 1
633 1 26 PHE QE 1 50 ALA HA . . 4.750 4.337 3.182 4.791 0.041 16 0 "[ . 1 . 2]" 1
634 1 49 GLY HA3 1 50 ALA HA . . 4.980 4.609 4.467 4.746 . 0 0 "[ . 1 . 2]" 1
635 1 84 PRO HD2 1 90 TRP HH2 . . 5.500 5.516 5.498 5.558 0.058 15 0 "[ . 1 . 2]" 1
636 1 84 PRO HG3 1 85 ASP H . . 5.470 5.354 5.142 5.476 0.006 5 0 "[ . 1 . 2]" 1
637 1 84 PRO HG3 1 90 TRP HH2 . . 4.450 4.282 3.971 4.474 0.024 1 0 "[ . 1 . 2]" 1
638 1 62 LEU MD1 1 63 GLY H . . 5.500 4.150 3.703 4.611 . 0 0 "[ . 1 . 2]" 1
639 1 62 LEU MD2 1 63 GLY H . . 5.500 4.122 2.632 4.973 . 0 0 "[ . 1 . 2]" 1
640 1 49 GLY H 1 54 HIS HE1 . . 5.290 3.342 3.022 4.124 . 0 0 "[ . 1 . 2]" 1
641 1 23 LEU MD1 1 63 GLY H . . 5.500 5.309 4.645 5.540 0.040 9 0 "[ . 1 . 2]" 1
642 1 23 LEU MD1 1 25 GLY H . . 5.500 4.981 4.740 5.679 0.179 17 0 "[ . 1 . 2]" 1
643 1 62 LEU H 1 62 LEU HG . . 4.690 3.323 2.509 4.760 0.070 4 0 "[ . 1 . 2]" 1
644 1 84 PRO HD2 1 90 TRP HZ3 . . 3.750 3.687 3.628 3.766 0.016 5 0 "[ . 1 . 2]" 1
645 1 84 PRO HD3 1 90 TRP HZ3 . . 4.090 2.015 1.982 2.069 . 0 0 "[ . 1 . 2]" 1
646 1 36 THR HB 1 44 PHE H . . 5.500 5.109 4.430 5.504 0.004 10 0 "[ . 1 . 2]" 1
647 1 36 THR HB 1 37 LEU H . . 3.500 3.035 2.458 3.502 0.002 14 0 "[ . 1 . 2]" 1
648 1 36 THR HB 1 46 LEU H . . 5.260 4.717 4.498 5.103 . 0 0 "[ . 1 . 2]" 1
649 1 33 MET ME 1 36 THR HB . . 4.490 3.826 3.424 4.099 . 0 0 "[ . 1 . 2]" 1
650 1 36 THR HB 1 72 ILE MG . . 3.550 3.258 2.671 3.597 0.047 16 0 "[ . 1 . 2]" 1
651 1 90 TRP H 1 90 TRP HE3 . . 5.500 5.506 5.448 5.542 0.042 12 0 "[ . 1 . 2]" 1
652 1 83 VAL HA 1 90 TRP HE3 . . 4.580 2.849 2.627 3.200 . 0 0 "[ . 1 . 2]" 1
653 1 48 LYS HA 1 54 HIS HD2 . . 4.940 4.794 2.809 5.020 0.080 17 0 "[ . 1 . 2]" 1
654 1 23 LEU HB3 1 54 HIS HD2 . . 5.500 5.525 5.427 5.650 0.150 10 0 "[ . 1 . 2]" 1
655 1 47 VAL MG1 1 54 HIS HD2 . . 4.830 4.435 1.880 4.842 0.012 1 0 "[ . 1 . 2]" 1
656 1 53 VAL MG2 1 54 HIS HD2 . . 5.360 4.546 4.320 5.665 0.305 10 0 "[ . 1 . 2]" 1
657 1 67 GLY HA2 1 81 GLU H . . 4.920 4.279 4.053 4.492 . 0 0 "[ . 1 . 2]" 1
658 1 67 GLY HA2 1 81 GLU HG2 . . 4.250 3.056 2.020 3.941 . 0 0 "[ . 1 . 2]" 1
659 1 62 LEU H 1 67 GLY HA3 . . 4.570 3.271 2.993 3.402 . 0 0 "[ . 1 . 2]" 1
660 1 67 GLY HA3 1 81 GLU HG2 . . 4.070 3.057 2.433 3.926 . 0 0 "[ . 1 . 2]" 1
661 1 14 PRO HD2 1 90 TRP HD1 . . 4.540 3.869 3.308 4.308 . 0 0 "[ . 1 . 2]" 1
662 1 13 LYS HB2 1 14 PRO HD2 . . 3.510 2.569 1.948 3.579 0.069 8 0 "[ . 1 . 2]" 1
663 1 13 LYS HB3 1 14 PRO HD2 . . 3.510 2.631 1.940 3.559 0.049 12 0 "[ . 1 . 2]" 1
664 1 16 GLU H 1 17 THR MG . . 4.420 3.780 3.114 4.571 0.151 15 0 "[ . 1 . 2]" 1
665 1 27 ASN H 1 30 THR MG . . 3.630 2.765 2.176 3.342 . 0 0 "[ . 1 . 2]" 1
666 1 30 THR H 1 30 THR MG . . 3.120 2.193 1.915 2.390 . 0 0 "[ . 1 . 2]" 1
667 1 30 THR MG 1 31 PHE H . . 4.140 3.756 2.164 4.148 0.008 20 0 "[ . 1 . 2]" 1
668 1 27 ASN HB3 1 30 THR MG . . 3.350 2.697 2.081 3.356 0.006 7 0 "[ . 1 . 2]" 1
669 1 27 ASN HB2 1 30 THR MG . . 3.210 2.029 1.888 2.882 . 0 0 "[ . 1 . 2]" 1
670 1 29 GLU HG3 1 30 THR MG . . 3.810 2.691 2.346 3.814 0.004 10 0 "[ . 1 . 2]" 1
671 1 43 THR MG 1 44 PHE H . . 3.310 2.934 2.463 3.281 . 0 0 "[ . 1 . 2]" 1
672 1 39 ASN H 1 43 THR MG . . 4.770 4.617 4.057 4.764 . 0 0 "[ . 1 . 2]" 1
673 1 38 SER HA 1 43 THR MG . . 3.970 3.212 2.896 3.460 . 0 0 "[ . 1 . 2]" 1
674 1 43 THR HA 1 43 THR MG . . 2.590 2.203 2.052 2.316 . 0 0 "[ . 1 . 2]" 1
675 1 56 VAL MG2 1 60 ASP HB3 . . 4.100 3.899 3.721 4.116 0.016 14 0 "[ . 1 . 2]" 1
676 1 47 VAL MG2 1 48 LYS H . . 3.370 1.963 1.945 2.002 . 0 0 "[ . 1 . 2]" 1
677 1 47 VAL H 1 47 VAL MG2 . . 4.060 3.912 3.880 3.945 . 0 0 "[ . 1 . 2]" 1
678 1 31 PHE HA 1 47 VAL MG2 . . 3.850 3.458 3.214 3.679 . 0 0 "[ . 1 . 2]" 1
679 1 36 THR MG 1 37 LEU H . . 3.430 3.351 3.088 3.434 0.004 18 0 "[ . 1 . 2]" 1
680 1 36 THR MG 1 46 LEU H . . 3.620 2.644 2.170 3.020 . 0 0 "[ . 1 . 2]" 1
681 1 36 THR H 1 36 THR MG . . 3.890 3.580 3.358 3.764 . 0 0 "[ . 1 . 2]" 1
682 1 37 LEU HB2 1 44 PHE QD . . 5.380 4.449 3.641 5.089 . 0 0 "[ . 1 . 2]" 1
683 1 31 PHE HB3 1 47 VAL MG1 . . 3.510 3.035 2.579 3.529 0.019 10 0 "[ . 1 . 2]" 1
684 1 47 VAL MG1 1 54 HIS HB2 . . 3.370 2.187 1.952 2.513 . 0 0 "[ . 1 . 2]" 1
685 1 23 LEU H 1 23 LEU MD2 . . 3.760 2.200 1.875 3.785 0.025 16 0 "[ . 1 . 2]" 1
686 1 23 LEU MD2 1 63 GLY H . . 5.500 5.449 5.207 5.545 0.045 14 0 "[ . 1 . 2]" 1
687 1 23 LEU HA 1 23 LEU MD2 . . 4.040 3.197 2.735 3.488 . 0 0 "[ . 1 . 2]" 1
688 1 23 LEU MD2 1 54 HIS HB3 . . 4.460 2.939 2.642 3.241 . 0 0 "[ . 1 . 2]" 1
689 1 23 LEU MD2 1 54 HIS HB2 . . 4.610 4.165 3.018 4.574 . 0 0 "[ . 1 . 2]" 1
690 1 61 TYR QE 1 69 VAL H . . 5.490 5.452 5.189 5.513 0.023 14 0 "[ . 1 . 2]" 1
691 1 61 TYR QE 1 68 LYS H . . 5.100 4.897 4.631 5.105 0.005 15 0 "[ . 1 . 2]" 1
692 1 61 TYR H 1 61 TYR QE . . 4.840 4.713 4.551 4.856 0.016 3 0 "[ . 1 . 2]" 1
693 1 61 TYR QE 1 68 LYS HB2 . . 3.620 2.363 2.172 2.486 . 0 0 "[ . 1 . 2]" 1
694 1 44 PHE QE 1 57 ARG HD2 . . 4.410 3.326 2.285 4.332 . 0 0 "[ . 1 . 2]" 1
695 1 44 PHE QE 1 57 ARG HD3 . . 4.410 2.681 2.134 4.395 . 0 0 "[ . 1 . 2]" 1
696 1 93 ARG HB2 1 93 ARG HD2 . . 3.810 2.950 2.388 3.634 . 0 0 "[ . 1 . 2]" 1
697 1 93 ARG HB2 1 93 ARG HD3 . . 3.810 2.902 2.193 3.744 . 0 0 "[ . 1 . 2]" 1
698 1 31 PHE HA 1 49 GLY HA2 . . 4.250 3.550 3.222 4.024 . 0 0 "[ . 1 . 2]" 1
699 1 49 GLY HA2 1 54 HIS HE1 . . 5.500 3.960 3.595 5.617 0.117 10 0 "[ . 1 . 2]" 1
700 1 49 GLY HA3 1 54 HIS HE1 . . 5.500 2.473 1.959 4.955 . 0 0 "[ . 1 . 2]" 1
701 1 31 PHE HA 1 49 GLY HA3 . . 4.250 3.036 2.368 3.792 . 0 0 "[ . 1 . 2]" 1
702 1 26 PHE HB2 1 31 PHE HZ . . 3.820 2.202 1.992 2.489 . 0 0 "[ . 1 . 2]" 1
703 1 26 PHE HB2 1 31 PHE QE . . 3.740 2.740 2.405 2.956 . 0 0 "[ . 1 . 2]" 1
704 1 77 ILE H 1 97 LEU HB2 . . 4.470 3.270 3.190 3.352 . 0 0 "[ . 1 . 2]" 1
705 1 33 MET ME 1 46 LEU H . . 4.230 3.857 2.745 4.192 . 0 0 "[ . 1 . 2]" 1
706 1 33 MET ME 1 36 THR H . . 4.280 3.805 3.283 4.203 . 0 0 "[ . 1 . 2]" 1
707 1 33 MET ME 1 99 LEU H . . 4.450 4.025 3.387 4.465 0.015 16 0 "[ . 1 . 2]" 1
708 1 33 MET ME 1 99 LEU HA . . 4.040 3.862 3.577 4.042 0.002 4 0 "[ . 1 . 2]" 1
709 1 33 MET ME 1 33 MET HG2 . . 3.190 2.566 2.237 2.788 . 0 0 "[ . 1 . 2]" 1
710 1 33 MET ME 1 33 MET HG3 . . 3.190 2.382 2.156 2.810 . 0 0 "[ . 1 . 2]" 1
711 1 33 MET ME 1 36 THR MG . . 2.540 1.794 1.737 1.871 . 0 0 "[ . 1 . 2]" 1
712 1 23 LEU H 1 50 ALA MB . . 5.500 5.368 4.808 5.533 0.033 9 0 "[ . 1 . 2]" 1
713 1 26 PHE QE 1 50 ALA MB . . 3.530 2.479 2.209 2.683 . 0 0 "[ . 1 . 2]" 1
714 1 26 PHE HB3 1 50 ALA MB . . 4.280 3.883 3.245 4.301 0.021 10 0 "[ . 1 . 2]" 1
715 1 26 PHE HB2 1 50 ALA MB . . 4.470 3.482 2.974 3.822 . 0 0 "[ . 1 . 2]" 1
716 1 23 LEU HB3 1 50 ALA MB . . 4.640 4.467 4.010 4.679 0.039 14 0 "[ . 1 . 2]" 1
717 1 23 LEU HG 1 50 ALA MB . . 4.970 4.727 4.417 5.055 0.085 9 0 "[ . 1 . 2]" 1
718 1 82 ILE MG 1 91 LEU H . . 3.830 2.891 2.547 3.191 . 0 0 "[ . 1 . 2]" 1
719 1 73 SER H 1 77 ILE MG . . 4.320 3.887 3.524 4.283 . 0 0 "[ . 1 . 2]" 1
720 1 82 ILE H 1 82 ILE MG . . 3.870 3.815 3.702 3.904 0.034 11 0 "[ . 1 . 2]" 1
721 1 40 ALA MB 1 42 GLY H . . 4.580 4.465 4.385 4.530 . 0 0 "[ . 1 . 2]" 1
722 1 78 ASP HB3 1 96 SER HA . . 5.130 4.523 4.058 4.916 . 0 0 "[ . 1 . 2]" 1
723 1 14 PRO HD3 1 90 TRP HZ2 . . 4.780 3.870 2.968 4.595 . 0 0 "[ . 1 . 2]" 1
724 1 61 TYR QD 1 67 GLY H . . 5.330 4.950 4.391 5.283 . 0 0 "[ . 1 . 2]" 1
725 1 44 PHE QD 1 57 ARG HB3 . . 4.090 2.075 1.990 2.285 . 0 0 "[ . 1 . 2]" 1
726 1 37 LEU HB3 1 44 PHE QD . . 3.660 2.788 1.997 3.505 . 0 0 "[ . 1 . 2]" 1
727 1 26 PHE HA 1 26 PHE QE . . 5.040 4.701 4.593 4.797 . 0 0 "[ . 1 . 2]" 1
728 1 22 PHE H 1 22 PHE QD . . 5.180 4.156 4.026 4.181 . 0 0 "[ . 1 . 2]" 1
729 1 22 PHE QE 1 23 LEU H . . 5.500 5.482 5.160 5.561 0.061 10 0 "[ . 1 . 2]" 1
730 1 22 PHE QE 1 23 LEU HA . . 5.500 4.820 4.375 5.042 . 0 0 "[ . 1 . 2]" 1
731 1 31 PHE QD 1 49 GLY H . . 5.500 4.624 4.429 4.736 . 0 0 "[ . 1 . 2]" 1
732 1 31 PHE QD 1 63 GLY H . . 5.070 4.422 4.155 4.730 . 0 0 "[ . 1 . 2]" 1
733 1 31 PHE HA 1 31 PHE QD . . 4.110 2.056 1.975 2.171 . 0 0 "[ . 1 . 2]" 1
734 1 31 PHE QE 1 62 LEU HB3 . . 4.630 3.868 2.897 4.638 0.008 10 0 "[ . 1 . 2]" 1
735 1 28 ILE HB 1 31 PHE QD . . 4.860 4.571 4.247 4.852 . 0 0 "[ . 1 . 2]" 1
736 1 28 ILE HG13 1 31 PHE QD . . 4.160 3.885 3.532 4.174 0.014 15 0 "[ . 1 . 2]" 1
737 1 28 ILE MD 1 31 PHE QE . . 4.580 2.850 2.185 3.483 . 0 0 "[ . 1 . 2]" 1
738 1 69 VAL HA 1 80 ILE H . . 4.020 3.875 3.690 4.038 0.018 4 0 "[ . 1 . 2]" 1
739 1 69 VAL HA 1 70 VAL HB . . 5.500 5.698 5.682 5.714 0.214 4 0 "[ . 1 . 2]" 1
740 1 69 VAL HA 1 70 VAL MG1 . . 3.550 3.583 3.527 3.624 0.074 8 0 "[ . 1 . 2]" 1
741 1 69 VAL HA 1 79 VAL MG1 . . 2.840 1.944 1.924 2.033 . 0 0 "[ . 1 . 2]" 1
742 1 22 PHE H 1 22 PHE HB2 . . 4.050 2.735 2.344 3.217 . 0 0 "[ . 1 . 2]" 1
743 1 19 VAL HA 1 20 LYS H . . 2.760 2.213 2.146 2.345 . 0 0 "[ . 1 . 2]" 1
744 1 19 VAL HA 1 19 VAL MG1 . . 3.160 2.825 2.210 3.198 0.038 14 0 "[ . 1 . 2]" 1
745 1 19 VAL HA 1 19 VAL MG2 . . 3.160 2.420 2.146 3.195 0.035 15 0 "[ . 1 . 2]" 1
746 1 22 PHE H 1 22 PHE HB3 . . 4.140 2.483 2.319 3.674 . 0 0 "[ . 1 . 2]" 1
747 1 28 ILE HA 1 63 GLY H . . 5.390 4.735 4.408 5.131 . 0 0 "[ . 1 . 2]" 1
748 1 28 ILE HA 1 30 THR H . . 4.630 4.096 3.940 4.237 . 0 0 "[ . 1 . 2]" 1
749 1 28 ILE HA 1 31 PHE QD . . 3.450 2.610 2.364 2.905 . 0 0 "[ . 1 . 2]" 1
750 1 27 ASN HA 1 28 ILE HA . . 4.500 4.331 4.316 4.346 . 0 0 "[ . 1 . 2]" 1
751 1 28 ILE HA 1 31 PHE HB3 . . 5.500 5.261 4.943 5.506 0.006 5 0 "[ . 1 . 2]" 1
752 1 28 ILE HA 1 31 PHE HB2 . . 5.020 3.890 3.518 4.209 . 0 0 "[ . 1 . 2]" 1
753 1 28 ILE HA 1 28 ILE HG13 . . 3.250 2.977 2.907 3.035 . 0 0 "[ . 1 . 2]" 1
754 1 28 ILE HA 1 28 ILE MG . . 3.520 3.194 3.188 3.203 . 0 0 "[ . 1 . 2]" 1
755 1 28 ILE HA 1 28 ILE MD . . 3.470 2.031 1.954 2.159 . 0 0 "[ . 1 . 2]" 1
756 1 14 PRO HA 1 15 ASP H . . 3.190 2.301 2.155 2.639 . 0 0 "[ . 1 . 2]" 1
757 1 14 PRO HA 1 15 ASP HA . . 4.470 4.401 4.306 4.474 0.004 2 0 "[ . 1 . 2]" 1
758 1 11 VAL HA 1 12 ILE H . . 2.750 2.390 2.141 2.657 . 0 0 "[ . 1 . 2]" 1
759 1 84 PRO HA 1 91 LEU H . . 4.080 3.916 3.678 4.087 0.007 9 0 "[ . 1 . 2]" 1
760 1 27 ASN HB2 1 28 ILE H . . 4.660 3.988 3.733 4.258 . 0 0 "[ . 1 . 2]" 1
761 1 27 ASN HB2 1 29 GLU H . . 4.380 4.020 3.640 4.249 . 0 0 "[ . 1 . 2]" 1
762 1 27 ASN HB3 1 29 GLU HG2 . . 4.540 2.382 2.040 3.010 . 0 0 "[ . 1 . 2]" 1
763 1 27 ASN HB3 1 29 GLU HG3 . . 5.230 3.026 2.210 3.634 . 0 0 "[ . 1 . 2]" 1
764 1 27 ASN HB2 1 28 ILE MG . . 5.360 5.145 4.911 5.341 . 0 0 "[ . 1 . 2]" 1
765 1 96 SER HB2 1 97 LEU H . . 3.820 3.717 3.576 3.826 0.006 13 0 "[ . 1 . 2]" 1
766 1 96 SER HB3 1 97 LEU H . . 3.820 3.721 3.531 3.827 0.007 8 0 "[ . 1 . 2]" 1
767 1 77 ILE H 1 96 SER HB2 . . 4.740 4.403 4.063 4.771 0.031 12 0 "[ . 1 . 2]" 1
768 1 78 ASP HA 1 96 SER HB3 . . 4.630 3.039 2.632 3.830 . 0 0 "[ . 1 . 2]" 1
769 1 78 ASP HA 1 96 SER HB2 . . 4.630 4.339 2.269 4.634 0.004 17 0 "[ . 1 . 2]" 1
770 1 76 LYS HB2 1 96 SER HB2 . . 4.390 3.338 2.848 4.268 . 0 0 "[ . 1 . 2]" 1
771 1 76 LYS HB2 1 96 SER HB3 . . 4.390 3.609 3.157 4.054 . 0 0 "[ . 1 . 2]" 1
772 1 58 VAL HA 1 58 VAL MG1 . . 3.380 2.663 2.276 3.198 . 0 0 "[ . 1 . 2]" 1
773 1 58 VAL HA 1 58 VAL MG2 . . 3.380 2.323 2.265 2.383 . 0 0 "[ . 1 . 2]" 1
774 1 73 SER HB2 1 74 GLU H . . 3.400 2.961 2.604 3.528 0.128 9 0 "[ . 1 . 2]" 1
775 1 73 SER HB3 1 75 GLY H . . 5.420 2.988 2.416 3.945 . 0 0 "[ . 1 . 2]" 1
776 1 73 SER HB2 1 75 GLY H . . 5.420 2.934 2.290 4.126 . 0 0 "[ . 1 . 2]" 1
777 1 73 SER HB2 1 76 LYS HD2 . . 5.500 3.955 2.906 5.070 . 0 0 "[ . 1 . 2]" 1
778 1 73 SER HB2 1 76 LYS HD3 . . 5.500 3.235 2.002 5.220 . 0 0 "[ . 1 . 2]" 1
779 1 73 SER HB3 1 76 LYS HD2 . . 5.500 4.273 2.694 5.461 . 0 0 "[ . 1 . 2]" 1
780 1 73 SER HB3 1 76 LYS HD3 . . 5.500 3.450 2.001 5.457 . 0 0 "[ . 1 . 2]" 1
781 1 73 SER HB2 1 76 LYS HG2 . . 5.420 2.232 1.999 3.022 . 0 0 "[ . 1 . 2]" 1
782 1 73 SER HB2 1 76 LYS HG3 . . 5.420 3.357 2.035 4.148 . 0 0 "[ . 1 . 2]" 1
783 1 73 SER HB3 1 76 LYS HG2 . . 5.420 2.901 1.991 3.814 . 0 0 "[ . 1 . 2]" 1
784 1 73 SER HB3 1 76 LYS HG3 . . 5.420 4.015 2.734 5.423 0.003 3 0 "[ . 1 . 2]" 1
785 1 98 THR H 1 98 THR HB . . 3.820 3.642 3.612 3.673 . 0 0 "[ . 1 . 2]" 1
786 1 76 LYS HA 1 98 THR HB . . 4.370 4.240 4.082 4.376 0.006 6 0 "[ . 1 . 2]" 1
787 1 76 LYS HB3 1 98 THR HB . . 3.920 3.598 3.004 3.932 0.012 16 0 "[ . 1 . 2]" 1
788 1 71 GLY HA3 1 72 ILE H . . 3.220 3.018 2.929 3.074 . 0 0 "[ . 1 . 2]" 1
789 1 27 ASN HB2 1 30 THR HB . . 5.280 4.167 2.714 4.848 . 0 0 "[ . 1 . 2]" 1
790 1 71 GLY HA3 1 72 ILE HB . . 5.500 5.542 5.502 5.571 0.071 7 0 "[ . 1 . 2]" 1
791 1 71 GLY HA2 1 72 ILE HB . . 4.740 4.518 4.506 4.541 . 0 0 "[ . 1 . 2]" 1
792 1 43 THR HA 1 72 ILE HB . . 5.500 5.343 4.847 5.504 0.004 6 0 "[ . 1 . 2]" 1
793 1 43 THR HA 1 72 ILE MG . . 4.760 4.256 3.812 4.624 . 0 0 "[ . 1 . 2]" 1
794 1 38 SER HB3 1 44 PHE H . . 5.500 4.923 4.116 5.565 0.065 20 0 "[ . 1 . 2]" 1
795 1 38 SER HB2 1 44 PHE H . . 5.500 4.808 3.986 5.488 . 0 0 "[ . 1 . 2]" 1
796 1 38 SER HB2 1 39 ASN H . . 4.640 3.700 3.208 4.525 . 0 0 "[ . 1 . 2]" 1
797 1 38 SER HB3 1 43 THR MG . . 4.160 3.192 2.390 4.153 . 0 0 "[ . 1 . 2]" 1
798 1 38 SER HB2 1 43 THR MG . . 4.160 2.763 2.155 3.490 . 0 0 "[ . 1 . 2]" 1
799 1 37 LEU MD1 1 38 SER HB2 . . 5.500 4.651 4.337 5.640 0.140 20 0 "[ . 1 . 2]" 1
800 1 37 LEU MD1 1 38 SER HB3 . . 5.500 4.459 4.351 5.557 0.057 20 0 "[ . 1 . 2]" 1
801 1 37 LEU MD2 1 38 SER HB3 . . 5.500 4.813 4.273 5.688 0.188 20 0 "[ . 1 . 2]" 1
802 1 37 LEU MD2 1 38 SER HB2 . . 5.500 5.311 4.459 5.520 0.020 3 0 "[ . 1 . 2]" 1
803 1 15 ASP H 1 15 ASP HB3 . . 3.660 3.273 2.536 3.659 . 0 0 "[ . 1 . 2]" 1
804 1 47 VAL MG1 1 54 HIS HB3 . . 3.970 3.630 3.390 3.965 . 0 0 "[ . 1 . 2]" 1
805 1 23 LEU MD1 1 54 HIS HB3 . . 4.460 3.721 2.623 4.506 0.046 14 0 "[ . 1 . 2]" 1
806 1 23 LEU MD1 1 54 HIS HB2 . . 4.610 4.428 3.478 4.713 0.103 9 0 "[ . 1 . 2]" 1
807 1 29 GLU HA 1 31 PHE H . . 4.200 3.676 3.617 3.717 . 0 0 "[ . 1 . 2]" 1
808 1 27 ASN HB3 1 29 GLU HA . . 5.140 5.000 4.854 5.115 . 0 0 "[ . 1 . 2]" 1
809 1 29 GLU HA 1 29 GLU HG2 . . 4.050 3.848 3.785 3.992 . 0 0 "[ . 1 . 2]" 1
810 1 28 ILE HG13 1 29 GLU HA . . 4.660 3.913 3.741 4.002 . 0 0 "[ . 1 . 2]" 1
811 1 29 GLU HA 1 30 THR MG . . 5.140 4.975 4.775 5.143 0.003 4 0 "[ . 1 . 2]" 1
812 1 28 ILE MD 1 29 GLU HA . . 5.050 4.915 4.780 5.076 0.026 11 0 "[ . 1 . 2]" 1
813 1 63 GLY H 1 64 ARG HA . . 5.370 5.231 5.075 5.381 0.011 12 0 "[ . 1 . 2]" 1
814 1 64 ARG HA 1 64 ARG HD2 . . 5.400 4.558 3.625 4.784 . 0 0 "[ . 1 . 2]" 1
815 1 64 ARG HA 1 64 ARG HD3 . . 5.400 4.509 4.238 4.780 . 0 0 "[ . 1 . 2]" 1
816 1 64 ARG HA 1 64 ARG HG2 . . 3.490 2.431 2.261 2.703 . 0 0 "[ . 1 . 2]" 1
817 1 64 ARG HA 1 64 ARG HG3 . . 3.490 2.808 2.464 3.569 0.079 1 0 "[ . 1 . 2]" 1
818 1 12 ILE HA 1 13 LYS HA . . 4.810 4.384 4.300 4.580 . 0 0 "[ . 1 . 2]" 1
819 1 12 ILE HA 1 12 ILE HG12 . . 3.840 3.231 2.564 3.783 . 0 0 "[ . 1 . 2]" 1
820 1 12 ILE HA 1 12 ILE HG13 . . 3.840 3.430 2.490 3.791 . 0 0 "[ . 1 . 2]" 1
821 1 12 ILE HA 1 12 ILE MG . . 2.850 2.260 2.126 2.346 . 0 0 "[ . 1 . 2]" 1
822 1 90 TRP HB3 1 90 TRP HE3 . . 4.120 2.488 2.447 2.542 . 0 0 "[ . 1 . 2]" 1
823 1 99 LEU HA 1 100 LYS H . . 3.050 2.159 2.138 2.210 . 0 0 "[ . 1 . 2]" 1
824 1 33 MET HG2 1 99 LEU HA . . 5.430 3.131 2.216 4.310 . 0 0 "[ . 1 . 2]" 1
825 1 33 MET HG3 1 99 LEU HA . . 5.430 3.994 2.477 4.338 . 0 0 "[ . 1 . 2]" 1
826 1 33 MET HB3 1 99 LEU HA . . 2.970 2.203 1.986 2.624 . 0 0 "[ . 1 . 2]" 1
827 1 18 ARG HA 1 18 ARG HB3 . . 2.770 2.514 2.371 2.682 . 0 0 "[ . 1 . 2]" 1
828 1 99 LEU HA 1 99 LEU MD1 . . 3.930 2.713 1.978 3.781 . 0 0 "[ . 1 . 2]" 1
829 1 99 LEU HA 1 99 LEU MD2 . . 3.930 3.262 1.961 3.856 . 0 0 "[ . 1 . 2]" 1
830 1 13 LYS HB2 1 90 TRP HD1 . . 4.780 4.541 3.609 4.791 0.011 13 0 "[ . 1 . 2]" 1
831 1 84 PRO HB3 1 90 TRP HH2 . . 5.140 4.092 3.717 4.352 . 0 0 "[ . 1 . 2]" 1
832 1 13 LYS H 1 13 LYS HB3 . . 4.110 3.286 2.333 4.095 . 0 0 "[ . 1 . 2]" 1
833 1 93 ARG HB3 1 93 ARG HD2 . . 3.980 3.222 2.415 3.956 . 0 0 "[ . 1 . 2]" 1
834 1 93 ARG HB3 1 93 ARG HD3 . . 3.980 3.060 2.309 3.706 . 0 0 "[ . 1 . 2]" 1
835 1 57 ARG HB2 1 60 ASP H . . 5.320 5.215 4.937 5.329 0.009 18 0 "[ . 1 . 2]" 1
836 1 47 VAL H 1 47 VAL HB . . 3.390 2.938 2.839 3.031 . 0 0 "[ . 1 . 2]" 1
837 1 47 VAL HB 1 54 HIS HB2 . . 4.980 4.779 4.505 5.086 0.106 14 0 "[ . 1 . 2]" 1
838 1 76 LYS HB3 1 77 ILE H . . 3.960 3.856 3.585 3.973 0.013 4 0 "[ . 1 . 2]" 1
839 1 56 VAL H 1 56 VAL HB . . 4.000 3.856 3.820 3.897 . 0 0 "[ . 1 . 2]" 1
840 1 79 VAL H 1 79 VAL HB . . 4.000 3.929 3.918 3.954 . 0 0 "[ . 1 . 2]" 1
841 1 87 GLU H 1 87 GLU HG2 . . 5.090 2.463 1.952 3.493 . 0 0 "[ . 1 . 2]" 1
842 1 87 GLU H 1 87 GLU HG3 . . 5.090 2.976 2.314 3.760 . 0 0 "[ . 1 . 2]" 1
843 1 87 GLU HG2 1 89 ASN HD22 . . 5.500 4.070 2.807 5.501 0.001 12 0 "[ . 1 . 2]" 1
844 1 87 GLU HG3 1 89 ASN HD22 . . 5.500 3.548 2.662 4.659 . 0 0 "[ . 1 . 2]" 1
845 1 31 PHE HA 1 32 GLU HG2 . . 5.500 4.372 3.552 5.276 . 0 0 "[ . 1 . 2]" 1
846 1 28 ILE HB 1 63 GLY H . . 5.500 5.234 4.734 5.513 0.013 16 0 "[ . 1 . 2]" 1
847 1 23 LEU HB3 1 26 PHE QD . . 5.500 4.091 3.878 4.362 . 0 0 "[ . 1 . 2]" 1
848 1 23 LEU HB3 1 31 PHE QE . . 5.500 3.521 3.062 3.858 . 0 0 "[ . 1 . 2]" 1
849 1 82 ILE HA 1 82 ILE MD . . 3.380 2.212 1.963 3.042 . 0 0 "[ . 1 . 2]" 1
850 1 28 ILE H 1 28 ILE MD . . 4.300 4.097 4.006 4.210 . 0 0 "[ . 1 . 2]" 1
851 1 28 ILE MD 1 63 GLY H . . 4.580 3.710 3.246 4.291 . 0 0 "[ . 1 . 2]" 1
852 1 45 ALA H 1 72 ILE MD . . 3.320 3.035 2.589 3.324 0.004 7 0 "[ . 1 . 2]" 1
853 1 44 PHE H 1 72 ILE MD . . 4.620 3.966 3.274 4.463 . 0 0 "[ . 1 . 2]" 1
854 1 44 PHE QD 1 72 ILE MD . . 4.970 4.694 4.474 4.917 . 0 0 "[ . 1 . 2]" 1
855 1 72 ILE HA 1 72 ILE MD . . 3.960 3.856 3.831 3.880 . 0 0 "[ . 1 . 2]" 1
856 1 43 THR HA 1 72 ILE MD . . 4.790 4.367 3.762 4.756 . 0 0 "[ . 1 . 2]" 1
857 1 44 PHE HB2 1 72 ILE MD . . 5.310 4.950 4.566 5.233 . 0 0 "[ . 1 . 2]" 1
858 1 72 ILE HB 1 72 ILE MD . . 2.520 2.305 2.125 2.435 . 0 0 "[ . 1 . 2]" 1
859 1 28 ILE H 1 28 ILE MG . . 3.620 1.994 1.917 2.180 . 0 0 "[ . 1 . 2]" 1
860 1 28 ILE MG 1 30 THR H . . 4.640 4.253 4.169 4.358 . 0 0 "[ . 1 . 2]" 1
861 1 28 ILE MG 1 29 GLU HA . . 3.870 3.358 3.214 3.461 . 0 0 "[ . 1 . 2]" 1
862 1 27 ASN HB3 1 28 ILE MG . . 3.930 3.686 3.404 3.937 0.007 4 0 "[ . 1 . 2]" 1
863 1 28 ILE MG 1 29 GLU HG2 . . 3.680 3.593 3.314 3.687 0.007 9 0 "[ . 1 . 2]" 1
864 1 96 SER HA 1 97 LEU H . . 2.850 2.152 2.140 2.347 . 0 0 "[ . 1 . 2]" 1
865 1 77 ILE H 1 96 SER HA . . 4.590 4.038 3.870 4.224 . 0 0 "[ . 1 . 2]" 1
866 1 96 SER HA 1 98 THR H . . 5.500 5.513 5.479 5.588 0.088 12 0 "[ . 1 . 2]" 1
867 1 78 ASP HA 1 96 SER HA . . 3.440 2.224 1.995 2.489 . 0 0 "[ . 1 . 2]" 1
868 1 96 SER HA 1 97 LEU HG . . 4.120 3.788 3.458 4.120 . 0 0 "[ . 1 . 2]" 1
869 1 96 SER HA 1 98 THR MG . . 5.480 5.142 4.883 5.363 . 0 0 "[ . 1 . 2]" 1
870 1 61 TYR HA 1 62 LEU H . . 3.030 2.261 2.208 2.339 . 0 0 "[ . 1 . 2]" 1
871 1 61 TYR HA 1 67 GLY H . . 5.500 4.848 4.666 4.944 . 0 0 "[ . 1 . 2]" 1
872 1 61 TYR HA 1 61 TYR QD . . 3.600 3.044 2.974 3.123 . 0 0 "[ . 1 . 2]" 1
873 1 61 TYR HA 1 68 LYS HA . . 3.200 2.342 2.190 2.439 . 0 0 "[ . 1 . 2]" 1
874 1 60 ASP HB2 1 61 TYR HA . . 4.920 4.889 4.671 4.937 0.017 14 0 "[ . 1 . 2]" 1
875 1 61 TYR HA 1 69 VAL HB . . 5.500 5.498 5.452 5.529 0.029 16 0 "[ . 1 . 2]" 1
876 1 56 VAL HB 1 61 TYR HA . . 5.500 5.454 5.228 5.530 0.030 13 0 "[ . 1 . 2]" 1
877 1 38 SER HA 1 44 PHE QD . . 4.550 3.642 3.207 4.047 . 0 0 "[ . 1 . 2]" 1
878 1 83 VAL H 1 90 TRP HA . . 4.760 4.489 4.296 4.619 . 0 0 "[ . 1 . 2]" 1
879 1 90 TRP HA 1 90 TRP HE3 . . 3.800 3.425 3.227 3.585 . 0 0 "[ . 1 . 2]" 1
880 1 90 TRP HA 1 90 TRP HD1 . . 4.180 4.070 3.977 4.183 0.003 11 0 "[ . 1 . 2]" 1
881 1 83 VAL HA 1 84 PRO HD2 . . 3.100 2.317 2.110 2.428 . 0 0 "[ . 1 . 2]" 1
882 1 83 VAL HA 1 84 PRO HD3 . . 3.240 2.289 2.258 2.311 . 0 0 "[ . 1 . 2]" 1
883 1 76 LYS HA 1 97 LEU H . . 5.100 4.668 4.294 4.909 . 0 0 "[ . 1 . 2]" 1
884 1 76 LYS HA 1 77 ILE H . . 2.960 2.324 2.236 2.530 . 0 0 "[ . 1 . 2]" 1
885 1 76 LYS HA 1 99 LEU H . . 3.910 3.219 2.854 3.585 . 0 0 "[ . 1 . 2]" 1
886 1 76 LYS HA 1 98 THR MG . . 4.780 3.521 3.276 3.785 . 0 0 "[ . 1 . 2]" 1
887 1 70 VAL H 1 79 VAL HA . . 3.120 2.326 2.193 2.403 . 0 0 "[ . 1 . 2]" 1
888 1 69 VAL HA 1 79 VAL HA . . 3.380 2.620 2.463 2.789 . 0 0 "[ . 1 . 2]" 1
889 1 79 VAL HA 1 80 ILE HG12 . . 5.280 4.185 4.093 4.382 . 0 0 "[ . 1 . 2]" 1
890 1 79 VAL HA 1 79 VAL MG1 . . 2.770 2.358 2.339 2.394 . 0 0 "[ . 1 . 2]" 1
891 1 31 PHE HA 1 31 PHE QE . . 4.480 4.394 4.323 4.495 0.015 11 0 "[ . 1 . 2]" 1
892 1 26 PHE HA 1 27 ASN H . . 3.260 2.471 2.304 2.687 . 0 0 "[ . 1 . 2]" 1
893 1 26 PHE HA 1 26 PHE QD . . 3.430 2.848 2.544 3.102 . 0 0 "[ . 1 . 2]" 1
894 1 80 ILE H 1 94 PRO HA . . 5.430 4.687 4.419 5.056 . 0 0 "[ . 1 . 2]" 1
895 1 80 ILE HG13 1 94 PRO HA . . 4.590 4.528 4.248 4.618 0.028 11 0 "[ . 1 . 2]" 1
896 1 80 ILE HG12 1 94 PRO HA . . 4.490 3.240 3.000 3.408 . 0 0 "[ . 1 . 2]" 1
897 1 80 ILE MD 1 94 PRO HA . . 3.470 2.050 1.919 2.122 . 0 0 "[ . 1 . 2]" 1
898 1 79 VAL MG2 1 94 PRO HA . . 4.940 4.579 4.373 4.950 0.010 12 0 "[ . 1 . 2]" 1
899 1 17 THR HA 1 17 THR MG . . 3.610 2.711 2.270 3.206 . 0 0 "[ . 1 . 2]" 1
900 1 22 PHE HA 1 23 LEU MD1 . . 5.500 4.839 4.333 5.677 0.177 13 0 "[ . 1 . 2]" 1
901 1 22 PHE HA 1 23 LEU MD2 . . 5.500 4.615 4.342 5.610 0.110 13 0 "[ . 1 . 2]" 1
902 1 72 ILE HA 1 78 ASP H . . 4.600 3.316 3.054 3.475 . 0 0 "[ . 1 . 2]" 1
903 1 78 ASP HA 1 79 VAL H . . 2.740 2.150 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
904 1 80 ILE HA 1 94 PRO HA . . 3.440 2.336 2.080 2.608 . 0 0 "[ . 1 . 2]" 1
905 1 80 ILE HA 1 80 ILE HG13 . . 3.650 3.604 3.574 3.616 . 0 0 "[ . 1 . 2]" 1
906 1 80 ILE HA 1 80 ILE HG12 . . 3.620 2.608 2.546 2.643 . 0 0 "[ . 1 . 2]" 1
907 1 80 ILE HA 1 80 ILE MD . . 3.010 1.993 1.959 2.111 . 0 0 "[ . 1 . 2]" 1
908 1 72 ILE HA 1 72 ILE MG . . 2.960 2.349 2.321 2.387 . 0 0 "[ . 1 . 2]" 1
909 1 44 PHE HA 1 44 PHE QD . . 3.690 3.072 2.987 3.111 . 0 0 "[ . 1 . 2]" 1
910 1 82 ILE MD 1 92 GLU HA . . 3.930 2.849 1.968 3.701 . 0 0 "[ . 1 . 2]" 1
911 1 31 PHE QE 1 62 LEU HA . . 4.440 4.163 3.886 4.301 . 0 0 "[ . 1 . 2]" 1
912 1 20 LYS H 1 20 LYS HE3 . . 5.080 4.545 2.679 5.071 . 0 0 "[ . 1 . 2]" 1
913 1 26 PHE HB3 1 31 PHE HZ . . 4.770 3.836 3.538 4.150 . 0 0 "[ . 1 . 2]" 1
914 1 44 PHE HB2 1 56 VAL H . . 5.500 5.496 5.200 5.540 0.040 20 0 "[ . 1 . 2]" 1
915 1 46 LEU H 1 46 LEU HG . . 3.450 2.412 2.125 2.625 . 0 0 "[ . 1 . 2]" 1
916 1 33 MET HA 1 35 GLY H . . 4.200 3.718 3.495 4.214 0.014 1 0 "[ . 1 . 2]" 1
917 1 13 LYS HA 1 90 TRP HD1 . . 3.990 2.574 2.207 3.159 . 0 0 "[ . 1 . 2]" 1
918 1 13 LYS HA 1 90 TRP HB2 . . 5.180 4.321 2.942 5.091 . 0 0 "[ . 1 . 2]" 1
919 1 13 LYS HA 1 14 PRO HD2 . . 3.180 2.441 2.397 2.481 . 0 0 "[ . 1 . 2]" 1
920 1 13 LYS HA 1 14 PRO HD3 . . 3.010 2.317 2.300 2.336 . 0 0 "[ . 1 . 2]" 1
921 1 36 THR HA 1 45 ALA MB . . 4.200 4.003 3.710 4.212 0.012 19 0 "[ . 1 . 2]" 1
922 1 36 THR HA 1 46 LEU HB2 . . 4.590 3.817 3.469 4.379 . 0 0 "[ . 1 . 2]" 1
923 1 82 ILE HA 1 82 ILE MG . . 3.230 2.321 2.191 2.485 . 0 0 "[ . 1 . 2]" 1
924 1 5 ARG HA 1 6 GLN H . . 3.160 2.431 2.164 2.971 . 0 0 "[ . 1 . 2]" 1
925 1 102 ARG HA 1 103 SER H . . 3.520 2.524 2.139 3.525 0.005 5 0 "[ . 1 . 2]" 1
926 1 102 ARG HA 1 102 ARG HD2 . . 5.500 3.692 2.029 5.486 . 0 0 "[ . 1 . 2]" 1
927 1 102 ARG HA 1 102 ARG HD3 . . 5.500 3.536 2.205 4.913 . 0 0 "[ . 1 . 2]" 1
928 1 15 ASP H 1 15 ASP HB2 . . 3.660 2.747 2.075 3.653 . 0 0 "[ . 1 . 2]" 1
929 1 37 LEU HB3 1 44 PHE QE . . 5.500 4.896 4.155 5.502 0.002 20 0 "[ . 1 . 2]" 1
930 1 22 PHE QE 1 26 PHE QE . . 4.150 3.213 2.856 3.795 . 0 0 "[ . 1 . 2]" 1
931 1 38 SER HA 1 44 PHE H . . 3.670 3.278 2.971 3.546 . 0 0 "[ . 1 . 2]" 1
932 1 52 GLY HA2 1 53 VAL H . . 3.490 2.949 2.509 3.493 0.003 9 0 "[ . 1 . 2]" 1
933 1 13 LYS H 1 13 LYS HE2 . . 5.500 4.678 3.515 5.522 0.022 11 0 "[ . 1 . 2]" 1
934 1 13 LYS H 1 13 LYS HE3 . . 5.500 4.458 1.941 5.511 0.011 15 0 "[ . 1 . 2]" 1
935 1 39 ASN H 1 40 ALA HA . . 5.180 5.122 5.052 5.182 0.002 2 0 "[ . 1 . 2]" 1
936 1 53 VAL MG1 1 54 HIS H . . 3.570 3.613 3.594 3.703 0.133 9 0 "[ . 1 . 2]" 1
937 1 53 VAL MG1 1 54 HIS HD2 . . 5.370 5.288 5.062 5.371 0.001 2 0 "[ . 1 . 2]" 1
938 1 76 LYS HA 1 77 ILE MD . . 4.490 3.941 2.506 4.493 0.003 19 0 "[ . 1 . 2]" 1
939 1 30 THR H 1 31 PHE QE . . 5.500 5.392 5.152 5.510 0.010 10 0 "[ . 1 . 2]" 1
940 1 55 ARG H 1 55 ARG HG3 . . 3.590 3.254 2.688 3.559 . 0 0 "[ . 1 . 2]" 1
941 1 73 SER H 1 77 ILE HA . . 4.010 2.665 2.306 2.941 . 0 0 "[ . 1 . 2]" 1
942 1 76 LYS HA 1 77 ILE HA . . 4.760 4.439 4.412 4.495 . 0 0 "[ . 1 . 2]" 1
943 1 77 ILE HA 1 78 ASP HA . . 5.090 4.393 4.374 4.416 . 0 0 "[ . 1 . 2]" 1
944 1 82 ILE MG 1 83 VAL H . . 3.220 2.352 2.111 2.646 . 0 0 "[ . 1 . 2]" 1
945 1 10 LYS HA 1 11 VAL H . . 3.100 2.495 2.147 2.920 . 0 0 "[ . 1 . 2]" 1
946 1 48 LYS HA 1 53 VAL HA . . 3.720 2.256 2.095 2.412 . 0 0 "[ . 1 . 2]" 1
947 1 53 VAL HA 1 54 HIS HD2 . . 4.120 3.835 3.482 3.961 . 0 0 "[ . 1 . 2]" 1
948 1 23 LEU HA 1 26 PHE QD . . 3.180 2.200 1.989 2.481 . 0 0 "[ . 1 . 2]" 1
949 1 23 LEU HA 1 26 PHE QE . . 3.890 3.170 3.098 3.363 . 0 0 "[ . 1 . 2]" 1
950 1 22 PHE HB3 1 23 LEU HA . . 4.820 4.471 4.100 4.698 . 0 0 "[ . 1 . 2]" 1
951 1 23 LEU HA 1 23 LEU MD1 . . 4.040 2.318 1.925 3.991 . 0 0 "[ . 1 . 2]" 1
952 1 23 LEU HA 1 50 ALA MB . . 4.300 3.326 2.937 3.593 . 0 0 "[ . 1 . 2]" 1
953 1 19 VAL MG1 1 20 LYS HA . . 5.500 4.086 3.627 5.471 . 0 0 "[ . 1 . 2]" 1
954 1 19 VAL MG2 1 20 LYS HA . . 5.500 4.207 3.314 5.580 0.080 12 0 "[ . 1 . 2]" 1
955 1 20 LYS HA 1 21 GLN H . . 3.220 2.467 2.175 3.567 0.347 12 0 "[ . 1 . 2]" 1
956 1 61 TYR HA 1 62 LEU HA . . 4.690 4.473 4.440 4.510 . 0 0 "[ . 1 . 2]" 1
957 1 84 PRO HA 1 90 TRP HA . . 3.030 2.311 2.148 2.517 . 0 0 "[ . 1 . 2]" 1
958 1 63 GLY HA3 1 65 ASN H . . 4.760 3.053 2.954 3.215 . 0 0 "[ . 1 . 2]" 1
959 1 14 PRO HB3 1 15 ASP H . . 3.980 3.658 3.206 3.984 0.004 11 0 "[ . 1 . 2]" 1
960 1 28 ILE H 1 63 GLY HA2 . . 4.500 4.278 3.962 4.505 0.005 11 0 "[ . 1 . 2]" 1
961 1 63 GLY HA2 1 65 ASN H . . 4.760 3.960 3.846 4.094 . 0 0 "[ . 1 . 2]" 1
962 1 53 VAL HA 1 53 VAL MG2 . . 3.710 3.185 3.171 3.194 . 0 0 "[ . 1 . 2]" 1
963 1 80 ILE MD 1 81 GLU H . . 3.310 3.134 2.884 3.252 . 0 0 "[ . 1 . 2]" 1
964 1 68 LYS H 1 80 ILE MD . . 5.500 5.584 5.556 5.612 0.112 12 0 "[ . 1 . 2]" 1
965 1 22 PHE HA 1 22 PHE QD . . 3.090 2.517 2.216 3.124 0.034 14 0 "[ . 1 . 2]" 1
966 1 23 LEU HA 1 31 PHE HZ . . 4.040 3.264 2.774 3.816 . 0 0 "[ . 1 . 2]" 1
967 1 22 PHE QD 1 23 LEU HA . . 4.890 3.932 2.670 4.347 . 0 0 "[ . 1 . 2]" 1
968 1 23 LEU HA 1 26 PHE HB2 . . 4.580 3.965 3.542 4.303 . 0 0 "[ . 1 . 2]" 1
969 1 28 ILE HA 1 31 PHE QE . . 4.120 2.982 2.485 3.403 . 0 0 "[ . 1 . 2]" 1
970 1 28 ILE HA 1 31 PHE H . . 3.970 3.777 3.574 3.900 . 0 0 "[ . 1 . 2]" 1
971 1 77 ILE H 1 96 SER HB3 . . 4.740 4.345 4.030 4.750 0.010 12 0 "[ . 1 . 2]" 1
972 1 47 VAL HA 1 48 LYS H . . 2.950 2.346 2.340 2.349 . 0 0 "[ . 1 . 2]" 1
973 1 65 ASN HD22 1 83 VAL HA . . 4.650 4.387 4.089 4.683 0.033 12 0 "[ . 1 . 2]" 1
974 1 83 VAL HA 1 84 PRO HG3 . . 4.580 4.433 4.335 4.489 . 0 0 "[ . 1 . 2]" 1
975 1 83 VAL HA 1 84 PRO HG2 . . 4.690 4.447 4.281 4.536 . 0 0 "[ . 1 . 2]" 1
976 1 90 TRP HA 1 91 LEU HB2 . . 4.300 4.022 3.904 4.293 . 0 0 "[ . 1 . 2]" 1
977 1 84 PRO HA 1 90 TRP HE3 . . 3.330 3.304 3.220 3.349 0.019 15 0 "[ . 1 . 2]" 1
978 1 61 TYR HA 1 61 TYR QE . . 5.040 4.765 4.691 4.840 . 0 0 "[ . 1 . 2]" 1
979 1 61 TYR QE 1 68 LYS HB3 . . 4.000 3.825 3.601 4.014 0.014 4 0 "[ . 1 . 2]" 1
980 1 22 PHE QD 1 26 PHE QE . . 4.530 3.413 2.634 3.913 . 0 0 "[ . 1 . 2]" 1
981 1 22 PHE HZ 1 26 PHE QE . . 4.910 3.753 3.251 4.568 . 0 0 "[ . 1 . 2]" 1
982 1 31 PHE QD 1 62 LEU HA . . 5.500 5.527 5.506 5.551 0.051 13 0 "[ . 1 . 2]" 1
983 1 26 PHE HB2 1 31 PHE QD . . 4.860 4.680 4.379 4.887 0.027 14 0 "[ . 1 . 2]" 1
984 1 56 VAL MG1 1 60 ASP HB3 . . 4.100 2.466 2.152 2.898 . 0 0 "[ . 1 . 2]" 1
985 1 48 LYS H 1 48 LYS HD2 . . 5.500 5.176 4.395 5.501 0.001 16 0 "[ . 1 . 2]" 1
986 1 48 LYS H 1 48 LYS HD3 . . 5.500 5.019 4.284 5.500 . 0 0 "[ . 1 . 2]" 1
987 1 100 LYS HA 1 101 GLU H . . 2.820 2.303 2.141 2.701 . 0 0 "[ . 1 . 2]" 1
988 1 20 LYS H 1 20 LYS HB2 . . 4.040 3.055 2.724 3.834 . 0 0 "[ . 1 . 2]" 1
989 1 31 PHE HA 1 32 GLU HG3 . . 5.500 4.291 3.444 5.409 . 0 0 "[ . 1 . 2]" 1
990 1 41 GLN HB2 1 44 PHE QE . . 4.010 2.734 1.990 3.114 . 0 0 "[ . 1 . 2]" 1
991 1 41 GLN HB3 1 44 PHE QE . . 4.380 2.487 1.998 3.763 . 0 0 "[ . 1 . 2]" 1
992 1 48 LYS HA 1 49 GLY HA3 . . 4.500 4.332 4.322 4.363 . 0 0 "[ . 1 . 2]" 1
993 1 48 LYS HA 1 49 GLY HA2 . . 4.500 4.486 4.422 4.508 0.008 13 0 "[ . 1 . 2]" 1
994 1 48 LYS HA 1 48 LYS HD2 . . 5.170 4.429 3.723 4.863 . 0 0 "[ . 1 . 2]" 1
995 1 48 LYS HA 1 48 LYS HD3 . . 5.170 4.509 3.554 4.796 . 0 0 "[ . 1 . 2]" 1
996 1 48 LYS HD2 1 49 GLY H . . 5.500 4.972 4.091 5.479 . 0 0 "[ . 1 . 2]" 1
997 1 84 PRO HB3 1 90 TRP HZ3 . . 4.280 3.819 3.546 3.991 . 0 0 "[ . 1 . 2]" 1
998 1 84 PRO HG3 1 90 TRP HZ3 . . 4.460 3.745 3.482 3.943 . 0 0 "[ . 1 . 2]" 1
999 1 84 PRO HG2 1 90 TRP HZ3 . . 5.130 4.871 4.732 4.971 . 0 0 "[ . 1 . 2]" 1
1000 1 65 ASN HD22 1 84 PRO HD2 . . 5.200 5.175 5.087 5.224 0.024 6 0 "[ . 1 . 2]" 1
1001 1 84 PRO HD3 1 90 TRP HH2 . . 4.670 3.798 3.736 3.899 . 0 0 "[ . 1 . 2]" 1
1002 1 23 LEU HG 1 24 GLU H . . 5.500 5.172 4.057 5.523 0.023 19 0 "[ . 1 . 2]" 1
1003 1 18 ARG H 1 18 ARG HB3 . . 3.940 3.599 3.506 3.890 . 0 0 "[ . 1 . 2]" 1
1004 1 17 THR HB 1 18 ARG H . . 4.600 4.110 3.760 4.641 0.041 20 0 "[ . 1 . 2]" 1
1005 1 16 GLU HA 1 18 ARG H . . 4.540 3.938 3.514 4.556 0.016 8 0 "[ . 1 . 2]" 1
1006 1 16 GLU HA 1 17 THR MG . . 5.140 4.529 3.303 5.140 . 0 0 "[ . 1 . 2]" 1
1007 1 14 PRO HD2 1 90 TRP HZ2 . . 4.680 3.319 2.458 4.292 . 0 0 "[ . 1 . 2]" 1
1008 1 28 ILE HA 1 28 ILE HG12 . . 3.840 3.691 3.672 3.726 . 0 0 "[ . 1 . 2]" 1
1009 1 49 GLY HA2 1 50 ALA HA . . 4.980 4.500 4.356 4.638 . 0 0 "[ . 1 . 2]" 1
1010 1 57 ARG HB2 1 58 VAL HA . . 5.020 4.680 4.558 4.892 . 0 0 "[ . 1 . 2]" 1
1011 1 90 TRP HB3 1 90 TRP HD1 . . 3.880 3.855 3.830 3.875 . 0 0 "[ . 1 . 2]" 1
1012 1 78 ASP HB2 1 96 SER HA . . 5.500 5.111 4.798 5.446 . 0 0 "[ . 1 . 2]" 1
1013 1 22 PHE QE 1 52 GLY H . . 5.500 5.235 4.696 5.506 0.006 20 0 "[ . 1 . 2]" 1
1014 1 12 ILE H 1 12 ILE HG12 . . 3.610 2.687 1.976 3.625 0.015 18 0 "[ . 1 . 2]" 1
1015 1 12 ILE H 1 12 ILE HG13 . . 3.610 2.614 1.952 3.615 0.005 15 0 "[ . 1 . 2]" 1
1016 1 12 ILE MG 1 13 LYS H . . 3.480 2.816 1.919 3.523 0.043 13 0 "[ . 1 . 2]" 1
1017 1 12 ILE H 1 12 ILE MG . . 3.950 3.434 2.371 3.957 0.007 11 0 "[ . 1 . 2]" 1
1018 1 13 LYS H 1 90 TRP HD1 . . 5.500 4.548 3.373 5.178 . 0 0 "[ . 1 . 2]" 1
1019 1 19 VAL H 1 19 VAL HB . . 3.710 2.920 2.417 3.605 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ASP H 1 61 TYR QD . . 5.500 5.455 5.192 5.510 0.010 2 0 "[ . 1 . 2]" 1
1021 1 24 GLU HG2 1 25 GLY H . . 5.500 5.270 4.830 5.511 0.011 8 0 "[ . 1 . 2]" 1
1022 1 13 LYS H 1 13 LYS HD2 . . 5.250 4.013 2.025 5.049 . 0 0 "[ . 1 . 2]" 1
1023 1 13 LYS H 1 13 LYS HD3 . . 5.250 4.229 2.488 5.008 . 0 0 "[ . 1 . 2]" 1
1024 1 26 PHE H 1 26 PHE QD . . 3.260 2.690 2.131 3.217 . 0 0 "[ . 1 . 2]" 1
1025 1 23 LEU HA 1 26 PHE H . . 4.150 3.800 3.313 4.152 0.002 12 0 "[ . 1 . 2]" 1
1026 1 38 SER HA 1 43 THR HA . . 4.220 2.394 2.233 2.582 . 0 0 "[ . 1 . 2]" 1
1027 1 33 MET HG2 1 46 LEU H . . 5.500 4.951 4.224 5.579 0.079 16 0 "[ . 1 . 2]" 1
1028 1 33 MET HG3 1 46 LEU H . . 5.500 4.641 4.048 5.527 0.027 3 0 "[ . 1 . 2]" 1
1029 1 46 LEU HG 1 47 VAL H . . 5.500 5.378 5.336 5.416 . 0 0 "[ . 1 . 2]" 1
1030 1 47 VAL H 1 47 VAL MG1 . . 2.880 2.215 2.136 2.325 . 0 0 "[ . 1 . 2]" 1
1031 1 48 LYS HA 1 54 HIS H . . 3.610 3.145 2.794 3.360 . 0 0 "[ . 1 . 2]" 1
1032 1 57 ARG HD2 1 58 VAL H . . 5.500 4.318 3.653 5.247 . 0 0 "[ . 1 . 2]" 1
1033 1 57 ARG HD3 1 58 VAL H . . 5.500 4.947 3.855 5.441 . 0 0 "[ . 1 . 2]" 1
1034 1 24 GLU HG3 1 62 LEU H . . 5.500 5.061 3.612 5.504 0.004 17 0 "[ . 1 . 2]" 1
1035 1 83 VAL HA 1 90 TRP HZ3 . . 3.890 3.017 2.750 3.453 . 0 0 "[ . 1 . 2]" 1
1036 1 61 TYR HA 1 69 VAL H . . 3.430 3.409 3.316 3.522 0.092 4 0 "[ . 1 . 2]" 1
1037 1 70 VAL H 1 70 VAL MG2 . . 2.830 2.166 2.079 2.265 . 0 0 "[ . 1 . 2]" 1
1038 1 58 VAL HA 1 71 GLY H . . 5.500 5.056 4.574 5.312 . 0 0 "[ . 1 . 2]" 1
1039 1 70 VAL MG2 1 71 GLY H . . 3.470 2.204 2.003 2.271 . 0 0 "[ . 1 . 2]" 1
1040 1 78 ASP HB3 1 79 VAL H . . 3.520 3.344 3.216 3.519 . 0 0 "[ . 1 . 2]" 1
1041 1 78 ASP HB2 1 79 VAL H . . 4.440 4.247 4.006 4.427 . 0 0 "[ . 1 . 2]" 1
1042 1 80 ILE H 1 80 ILE HG13 . . 5.500 4.149 4.042 4.256 . 0 0 "[ . 1 . 2]" 1
1043 1 9 ASN HB2 1 10 LYS H . . 4.790 3.796 2.219 4.503 . 0 0 "[ . 1 . 2]" 1
1044 1 9 ASN HB3 1 10 LYS H . . 4.790 3.683 1.976 4.591 . 0 0 "[ . 1 . 2]" 1
1045 1 35 GLY HA3 1 36 THR H . . 3.410 2.515 2.416 2.599 . 0 0 "[ . 1 . 2]" 1
1046 1 86 GLY H 1 87 GLU HG2 . . 5.500 4.462 3.710 5.350 . 0 0 "[ . 1 . 2]" 1
1047 1 86 GLY H 1 87 GLU HG3 . . 5.500 4.981 3.807 5.536 0.036 10 0 "[ . 1 . 2]" 1
1048 1 94 PRO HD3 1 95 ARG H . . 5.500 5.369 5.304 5.474 . 0 0 "[ . 1 . 2]" 1
1049 1 94 PRO HD2 1 95 ARG H . . 5.500 5.276 5.171 5.442 . 0 0 "[ . 1 . 2]" 1
1050 1 30 THR HB 1 31 PHE H . . 4.760 4.030 3.878 4.208 . 0 0 "[ . 1 . 2]" 1
1051 1 33 MET HA 1 33 MET HG2 . . 3.640 2.867 2.168 3.807 0.167 16 0 "[ . 1 . 2]" 1
1052 1 33 MET HA 1 33 MET HG3 . . 3.640 2.898 2.581 3.532 . 0 0 "[ . 1 . 2]" 1
1053 1 68 LYS H 1 79 VAL HA . . 5.170 5.007 4.926 5.171 0.001 6 0 "[ . 1 . 2]" 1
1054 1 35 GLY HA2 1 36 THR H . . 3.410 2.610 2.525 2.717 . 0 0 "[ . 1 . 2]" 1
1055 1 36 THR HA 1 36 THR MG . . 2.960 2.169 2.020 2.279 . 0 0 "[ . 1 . 2]" 1
1056 1 36 THR HB 1 45 ALA MB . . 4.740 4.730 4.494 4.773 0.033 16 0 "[ . 1 . 2]" 1
1057 1 33 MET HG2 1 36 THR MG . . 5.440 4.016 3.504 4.539 . 0 0 "[ . 1 . 2]" 1
1058 1 33 MET HG3 1 36 THR MG . . 5.440 3.584 2.871 4.790 . 0 0 "[ . 1 . 2]" 1
1059 1 54 HIS HA 1 54 HIS HD2 . . 4.430 3.197 2.911 4.516 0.086 14 0 "[ . 1 . 2]" 1
1060 1 93 ARG H 1 93 ARG HD2 . . 5.500 5.177 4.615 5.542 0.042 12 0 "[ . 1 . 2]" 1
1061 1 93 ARG H 1 93 ARG HD3 . . 5.500 5.170 4.673 5.545 0.045 12 0 "[ . 1 . 2]" 1
1062 1 23 LEU HA 1 26 PHE HZ . . 5.500 5.519 5.498 5.548 0.048 16 0 "[ . 1 . 2]" 1
1063 1 18 ARG HB3 1 18 ARG HE . . 5.500 3.560 2.317 4.874 . 0 0 "[ . 1 . 2]" 1
1064 1 31 PHE QE 1 62 LEU HB2 . . 4.630 3.722 2.689 4.651 0.021 17 0 "[ . 1 . 2]" 1
1065 1 41 GLN HB3 1 44 PHE HZ . . 4.320 2.256 2.003 3.010 . 0 0 "[ . 1 . 2]" 1
1066 1 39 ASN HD21 1 41 GLN HB3 . . 5.500 4.502 3.650 5.503 0.003 11 0 "[ . 1 . 2]" 1
1067 1 53 VAL HA 1 53 VAL MG1 . . 2.700 2.189 2.108 2.259 . 0 0 "[ . 1 . 2]" 1
1068 1 43 THR MG 1 72 ILE HB . . 3.150 2.602 1.953 2.888 . 0 0 "[ . 1 . 2]" 1
1069 1 55 ARG HB3 1 55 ARG HD2 . . 3.550 3.132 2.541 3.550 . 0 0 "[ . 1 . 2]" 1
1070 1 55 ARG HB3 1 55 ARG HD3 . . 3.550 2.392 2.098 3.670 0.120 13 0 "[ . 1 . 2]" 1
1071 1 55 ARG HB2 1 55 ARG HD2 . . 3.550 2.942 2.345 3.460 . 0 0 "[ . 1 . 2]" 1
1072 1 55 ARG HB2 1 55 ARG HD3 . . 3.550 2.983 2.550 3.653 0.103 13 0 "[ . 1 . 2]" 1
1073 1 102 ARG H 1 102 ARG HD3 . . 5.500 3.975 1.950 5.051 . 0 0 "[ . 1 . 2]" 1
1074 1 67 GLY HA2 1 81 GLU HG3 . . 4.250 2.808 2.018 4.048 . 0 0 "[ . 1 . 2]" 1
1075 1 67 GLY HA3 1 81 GLU HG3 . . 4.070 3.278 2.421 4.102 0.032 11 0 "[ . 1 . 2]" 1
1076 1 66 ASP HA 1 67 GLY HA3 . . 5.110 4.753 4.722 4.788 . 0 0 "[ . 1 . 2]" 1
1077 1 67 GLY HA3 1 68 LYS HA . . 5.460 4.657 4.629 4.703 . 0 0 "[ . 1 . 2]" 1
1078 1 5 ARG H 1 5 ARG QB . . 3.080 2.603 2.160 3.133 0.053 12 0 "[ . 1 . 2]" 1
1079 1 5 ARG HA 1 5 ARG QD . . 5.110 3.499 1.985 4.553 . 0 0 "[ . 1 . 2]" 1
1080 1 9 ASN QB 1 10 LYS H . . 4.060 3.191 1.966 4.025 . 0 0 "[ . 1 . 2]" 1
1081 1 11 VAL H 1 11 VAL QG . . 2.780 2.276 1.962 2.738 . 0 0 "[ . 1 . 2]" 1
1082 1 11 VAL HA 1 11 VAL QG . . 2.770 2.161 1.975 2.366 . 0 0 "[ . 1 . 2]" 1
1083 1 11 VAL HA 1 12 ILE QG . . 3.890 3.621 3.306 3.899 0.009 11 0 "[ . 1 . 2]" 1
1084 1 11 VAL QG 1 12 ILE H . . 3.910 2.695 1.861 3.619 . 0 0 "[ . 1 . 2]" 1
1085 1 12 ILE HA 1 13 LYS QB . . 4.580 4.478 4.161 4.631 0.051 15 0 "[ . 1 . 2]" 1
1086 1 12 ILE QG 1 13 LYS H . . 4.520 4.066 3.234 4.533 0.013 15 0 "[ . 1 . 2]" 1
1087 1 13 LYS H 1 13 LYS QB . . 3.330 2.769 2.303 3.369 0.039 11 0 "[ . 1 . 2]" 1
1088 1 13 LYS H 1 13 LYS QG . . 3.430 2.471 1.976 3.427 . 0 0 "[ . 1 . 2]" 1
1089 1 13 LYS H 1 13 LYS QD . . 4.420 3.547 2.011 4.480 0.060 11 0 "[ . 1 . 2]" 1
1090 1 13 LYS HA 1 13 LYS QB . . 2.610 2.246 2.166 2.451 . 0 0 "[ . 1 . 2]" 1
1091 1 13 LYS HA 1 13 LYS QE . . 4.390 4.220 3.278 4.443 0.053 3 0 "[ . 1 . 2]" 1
1092 1 13 LYS QB 1 14 PRO HD2 . . 2.970 1.948 1.931 1.956 . 0 0 "[ . 1 . 2]" 1
1093 1 13 LYS QB 1 90 TRP HE1 . . 3.380 2.630 1.996 3.382 0.002 18 0 "[ . 1 . 2]" 1
1094 1 13 LYS QE 1 90 TRP HE1 . . 5.090 4.177 1.910 4.996 . 0 0 "[ . 1 . 2]" 1
1095 1 14 PRO HA 1 15 ASP QB . . 4.550 4.196 3.887 4.587 0.037 15 0 "[ . 1 . 2]" 1
1096 1 14 PRO QB 1 15 ASP H . . 3.430 2.828 2.044 3.293 . 0 0 "[ . 1 . 2]" 1
1097 1 14 PRO QB 1 90 TRP HE1 . . 5.340 5.190 4.789 5.354 0.014 3 0 "[ . 1 . 2]" 1
1098 1 14 PRO QG 1 15 ASP H . . 4.870 4.354 3.749 4.651 . 0 0 "[ . 1 . 2]" 1
1099 1 14 PRO QG 1 90 TRP HE1 . . 3.820 3.661 3.242 3.825 0.005 16 0 "[ . 1 . 2]" 1
1100 1 14 PRO QG 1 90 TRP HZ2 . . 4.530 2.999 2.302 3.506 . 0 0 "[ . 1 . 2]" 1
1101 1 14 PRO QG 1 90 TRP HH2 . . 4.200 3.793 3.221 4.210 0.010 20 0 "[ . 1 . 2]" 1
1102 1 15 ASP H 1 15 ASP QB . . 2.930 2.492 2.056 2.937 0.007 3 0 "[ . 1 . 2]" 1
1103 1 15 ASP QB 1 16 GLU H . . 4.010 2.964 1.934 3.995 . 0 0 "[ . 1 . 2]" 1
1104 1 15 ASP QB 1 18 ARG HE . . 5.040 4.360 2.094 5.046 0.006 3 0 "[ . 1 . 2]" 1
1105 1 16 GLU H 1 16 GLU QB . . 3.630 2.668 2.176 3.228 . 0 0 "[ . 1 . 2]" 1
1106 1 16 GLU H 1 16 GLU QG . . 3.250 2.399 1.933 3.001 . 0 0 "[ . 1 . 2]" 1
1107 1 17 THR H 1 18 ARG QG . . 4.820 3.989 3.262 4.905 0.085 20 0 "[ . 1 . 2]" 1
1108 1 18 ARG H 1 18 ARG QG . . 3.110 2.453 2.021 3.095 . 0 0 "[ . 1 . 2]" 1
1109 1 18 ARG H 1 18 ARG QD . . 5.240 4.128 3.207 4.734 . 0 0 "[ . 1 . 2]" 1
1110 1 18 ARG H 1 19 VAL QG . . 5.440 5.186 4.109 5.472 0.032 14 0 "[ . 1 . 2]" 1
1111 1 18 ARG HA 1 18 ARG QG . . 2.800 2.454 2.110 2.767 . 0 0 "[ . 1 . 2]" 1
1112 1 18 ARG HA 1 18 ARG QD . . 4.200 3.490 2.255 4.158 . 0 0 "[ . 1 . 2]" 1
1113 1 18 ARG HE 1 18 ARG QG . . 3.400 2.397 2.119 3.248 . 0 0 "[ . 1 . 2]" 1
1114 1 18 ARG QG 1 19 VAL H . . 4.180 3.861 3.324 4.294 0.114 19 0 "[ . 1 . 2]" 1
1115 1 18 ARG QD 1 19 VAL H . . 4.900 3.924 2.753 4.915 0.015 19 0 "[ . 1 . 2]" 1
1116 1 19 VAL H 1 19 VAL QG . . 2.600 2.153 1.834 2.514 . 0 0 "[ . 1 . 2]" 1
1117 1 19 VAL HA 1 19 VAL QG . . 2.630 2.197 2.044 2.354 . 0 0 "[ . 1 . 2]" 1
1118 1 19 VAL HA 1 20 LYS QG . . 4.180 3.844 3.287 4.077 . 0 0 "[ . 1 . 2]" 1
1119 1 19 VAL HA 1 20 LYS QD . . 3.490 2.969 2.632 3.529 0.039 17 0 "[ . 1 . 2]" 1
1120 1 19 VAL QG 1 20 LYS H . . 3.000 2.355 1.963 3.111 0.111 15 0 "[ . 1 . 2]" 1
1121 1 19 VAL QG 1 20 LYS HA . . 4.570 3.488 3.151 3.843 . 0 0 "[ . 1 . 2]" 1
1122 1 19 VAL QG 1 21 GLN QE . . 4.820 3.413 1.853 4.804 . 0 0 "[ . 1 . 2]" 1
1123 1 20 LYS H 1 20 LYS QB . . 3.330 2.852 2.663 3.346 0.016 20 0 "[ . 1 . 2]" 1
1124 1 20 LYS H 1 20 LYS QG . . 3.730 2.832 2.139 3.378 . 0 0 "[ . 1 . 2]" 1
1125 1 20 LYS H 1 20 LYS QD . . 2.900 2.391 1.971 2.948 0.048 8 0 "[ . 1 . 2]" 1
1126 1 20 LYS H 1 20 LYS QE . . 4.380 4.084 2.598 4.388 0.008 10 0 "[ . 1 . 2]" 1
1127 1 20 LYS H 1 21 GLN QB . . 5.340 5.094 3.597 5.360 0.020 20 0 "[ . 1 . 2]" 1
1128 1 20 LYS HA 1 20 LYS QG . . 3.520 2.851 2.463 3.439 . 0 0 "[ . 1 . 2]" 1
1129 1 20 LYS QB 1 21 GLN H . . 3.970 3.545 1.934 3.897 . 0 0 "[ . 1 . 2]" 1
1130 1 20 LYS QG 1 21 GLN H . . 4.690 4.424 3.434 4.628 . 0 0 "[ . 1 . 2]" 1
1131 1 21 GLN H 1 21 GLN QB . . 3.210 2.294 2.053 2.744 . 0 0 "[ . 1 . 2]" 1
1132 1 21 GLN H 1 21 GLN QG . . 3.910 3.266 2.432 3.945 0.035 20 0 "[ . 1 . 2]" 1
1133 1 21 GLN H 1 21 GLN QE . . 4.540 4.111 3.101 4.569 0.029 14 0 "[ . 1 . 2]" 1
1134 1 21 GLN QB 1 23 LEU H . . 3.660 2.681 2.305 3.459 . 0 0 "[ . 1 . 2]" 1
1135 1 21 GLN QE 1 21 GLN QG . . 2.900 2.268 2.068 2.577 . 0 0 "[ . 1 . 2]" 1
1136 1 22 PHE HB2 1 23 LEU QD . . 5.290 3.824 3.536 4.856 . 0 0 "[ . 1 . 2]" 1
1137 1 22 PHE HB3 1 23 LEU QD . . 4.130 2.455 2.126 3.622 . 0 0 "[ . 1 . 2]" 1
1138 1 22 PHE QD 1 23 LEU QD . . 3.270 2.006 1.787 2.467 . 0 0 "[ . 1 . 2]" 1
1139 1 22 PHE QE 1 23 LEU QD . . 3.060 2.858 2.683 3.139 0.079 14 0 "[ . 1 . 2]" 1
1140 1 22 PHE QE 1 51 GLY QA . . 5.340 4.168 2.034 5.374 0.034 10 0 "[ . 1 . 2]" 1
1141 1 23 LEU HA 1 23 LEU QD . . 2.870 2.114 1.891 2.769 . 0 0 "[ . 1 . 2]" 1
1142 1 23 LEU HB2 1 23 LEU QD . . 3.030 2.053 1.955 2.212 . 0 0 "[ . 1 . 2]" 1
1143 1 23 LEU QD 1 24 GLU H . . 4.210 3.557 3.310 3.762 . 0 0 "[ . 1 . 2]" 1
1144 1 23 LEU QD 1 25 GLY H . . 4.830 4.554 4.422 5.060 0.230 16 0 "[ . 1 . 2]" 1
1145 1 23 LEU QD 1 26 PHE H . . 5.440 4.963 4.112 5.478 0.038 16 0 "[ . 1 . 2]" 1
1146 1 23 LEU QD 1 26 PHE QD . . 4.180 3.329 2.849 3.982 . 0 0 "[ . 1 . 2]" 1
1147 1 23 LEU QD 1 26 PHE QE . . 4.130 3.359 2.966 4.130 . 0 0 "[ . 1 . 2]" 1
1148 1 23 LEU QD 1 49 GLY H . . 5.080 4.801 3.619 5.091 0.011 19 0 "[ . 1 . 2]" 1
1149 1 23 LEU QD 1 49 GLY QA . . 5.280 4.247 2.411 4.845 . 0 0 "[ . 1 . 2]" 1
1150 1 23 LEU QD 1 50 ALA HA . . 5.440 4.707 3.941 5.336 . 0 0 "[ . 1 . 2]" 1
1151 1 23 LEU QD 1 50 ALA MB . . 3.110 2.464 1.940 2.932 . 0 0 "[ . 1 . 2]" 1
1152 1 23 LEU QD 1 52 GLY H . . 5.440 4.757 4.018 5.459 0.019 17 0 "[ . 1 . 2]" 1
1153 1 23 LEU QD 1 53 VAL H . . 5.440 5.338 5.133 5.592 0.152 14 0 "[ . 1 . 2]" 1
1154 1 23 LEU QD 1 54 HIS H . . 5.440 4.931 4.629 5.087 . 0 0 "[ . 1 . 2]" 1
1155 1 23 LEU QD 1 54 HIS HB2 . . 3.970 3.801 2.953 4.006 0.036 19 0 "[ . 1 . 2]" 1
1156 1 23 LEU QD 1 54 HIS HB3 . . 3.630 2.816 2.354 3.172 . 0 0 "[ . 1 . 2]" 1
1157 1 23 LEU QD 1 54 HIS HD2 . . 2.990 2.623 2.520 3.108 0.118 14 0 "[ . 1 . 2]" 1
1158 1 23 LEU QD 1 55 ARG H . . 5.440 4.744 4.377 5.290 . 0 0 "[ . 1 . 2]" 1
1159 1 24 GLU H 1 24 GLU QB . . 3.430 2.177 2.089 2.413 . 0 0 "[ . 1 . 2]" 1
1160 1 24 GLU H 1 24 GLU QG . . 3.340 2.990 2.265 3.378 0.038 8 0 "[ . 1 . 2]" 1
1161 1 24 GLU H 1 25 GLY QA . . 5.070 4.384 4.241 4.548 . 0 0 "[ . 1 . 2]" 1
1162 1 24 GLU QB 1 25 GLY H . . 4.100 3.291 3.026 3.541 . 0 0 "[ . 1 . 2]" 1
1163 1 24 GLU QG 1 25 GLY H . . 4.750 4.571 4.326 4.657 . 0 0 "[ . 1 . 2]" 1
1164 1 24 GLU QG 1 63 GLY H . . 4.020 3.237 2.705 3.584 . 0 0 "[ . 1 . 2]" 1
1165 1 25 GLY H 1 64 ARG QG . . 4.850 4.144 3.649 4.562 . 0 0 "[ . 1 . 2]" 1
1166 1 25 GLY QA 1 26 PHE QD . . 4.820 4.001 3.587 4.298 . 0 0 "[ . 1 . 2]" 1
1167 1 26 PHE H 1 64 ARG QG . . 3.890 3.088 2.518 3.739 . 0 0 "[ . 1 . 2]" 1
1168 1 27 ASN H 1 64 ARG QG . . 4.860 4.492 3.277 4.886 0.026 11 0 "[ . 1 . 2]" 1
1169 1 27 ASN H 1 64 ARG QD . . 4.300 4.100 3.250 4.330 0.030 1 0 "[ . 1 . 2]" 1
1170 1 28 ILE H 1 63 GLY QA . . 3.930 3.575 3.257 3.863 . 0 0 "[ . 1 . 2]" 1
1171 1 28 ILE HA 1 63 GLY QA . . 3.720 2.672 2.407 3.004 . 0 0 "[ . 1 . 2]" 1
1172 1 28 ILE MG 1 63 GLY QA . . 4.260 3.897 3.550 4.215 . 0 0 "[ . 1 . 2]" 1
1173 1 29 GLU H 1 29 GLU QB . . 3.160 2.569 2.460 2.717 . 0 0 "[ . 1 . 2]" 1
1174 1 29 GLU QB 1 31 PHE H . . 4.820 4.761 4.717 4.802 . 0 0 "[ . 1 . 2]" 1
1175 1 31 PHE HA 1 32 GLU QB . . 4.310 4.284 4.208 4.334 0.024 20 0 "[ . 1 . 2]" 1
1176 1 31 PHE HA 1 32 GLU QG . . 4.720 3.597 3.373 3.871 . 0 0 "[ . 1 . 2]" 1
1177 1 31 PHE HA 1 49 GLY QA . . 3.740 2.835 2.332 3.191 . 0 0 "[ . 1 . 2]" 1
1178 1 31 PHE QD 1 49 GLY QA . . 3.690 1.981 1.961 2.032 . 0 0 "[ . 1 . 2]" 1
1179 1 31 PHE QD 1 62 LEU QB . . 4.360 3.275 3.136 3.549 . 0 0 "[ . 1 . 2]" 1
1180 1 31 PHE QD 1 63 GLY QA . . 4.650 3.682 3.404 4.003 . 0 0 "[ . 1 . 2]" 1
1181 1 31 PHE QE 1 62 LEU QB . . 3.940 2.976 2.665 3.233 . 0 0 "[ . 1 . 2]" 1
1182 1 31 PHE QE 1 63 GLY QA . . 4.600 2.104 1.978 2.336 . 0 0 "[ . 1 . 2]" 1
1183 1 32 GLU H 1 32 GLU QB . . 3.280 2.874 2.619 3.220 . 0 0 "[ . 1 . 2]" 1
1184 1 32 GLU H 1 32 GLU QG . . 3.680 2.798 2.075 3.266 . 0 0 "[ . 1 . 2]" 1
1185 1 32 GLU H 1 49 GLY QA . . 4.750 3.884 3.478 4.414 . 0 0 "[ . 1 . 2]" 1
1186 1 32 GLU QB 1 33 MET H . . 3.480 3.199 3.082 3.393 . 0 0 "[ . 1 . 2]" 1
1187 1 32 GLU QG 1 33 MET H . . 4.340 4.206 4.016 4.345 0.005 20 0 "[ . 1 . 2]" 1
1188 1 32 GLU QG 1 48 LYS H . . 5.340 4.589 3.112 5.359 0.019 20 0 "[ . 1 . 2]" 1
1189 1 33 MET H 1 33 MET QG . . 4.430 3.931 3.786 4.031 . 0 0 "[ . 1 . 2]" 1
1190 1 33 MET HA 1 33 MET QG . . 2.980 2.460 2.146 2.891 . 0 0 "[ . 1 . 2]" 1
1191 1 33 MET HA 1 34 VAL QG . . 3.740 3.570 3.174 3.711 . 0 0 "[ . 1 . 2]" 1
1192 1 33 MET ME 1 33 MET QG . . 2.770 2.165 2.080 2.227 . 0 0 "[ . 1 . 2]" 1
1193 1 33 MET QG 1 34 VAL H . . 3.830 2.833 2.371 3.108 . 0 0 "[ . 1 . 2]" 1
1194 1 33 MET QG 1 35 GLY H . . 3.690 2.804 2.386 3.422 . 0 0 "[ . 1 . 2]" 1
1195 1 33 MET QG 1 36 THR MG . . 4.680 3.304 2.754 4.143 . 0 0 "[ . 1 . 2]" 1
1196 1 33 MET QG 1 76 LYS H . . 5.340 5.130 4.355 5.372 0.032 17 0 "[ . 1 . 2]" 1
1197 1 33 MET QG 1 99 LEU HA . . 4.720 2.927 2.068 3.643 . 0 0 "[ . 1 . 2]" 1
1198 1 33 MET QG 1 99 LEU QB . . 4.760 4.147 3.344 4.764 0.004 11 0 "[ . 1 . 2]" 1
1199 1 33 MET ME 1 35 GLY QA . . 3.650 3.033 2.224 3.533 . 0 0 "[ . 1 . 2]" 1
1200 1 33 MET ME 1 73 SER QB . . 4.870 4.225 3.854 4.887 0.017 16 0 "[ . 1 . 2]" 1
1201 1 33 MET ME 1 99 LEU QD . . 2.690 2.059 1.884 2.416 . 0 0 "[ . 1 . 2]" 1
1202 1 34 VAL H 1 34 VAL QG . . 3.140 2.084 1.931 2.442 . 0 0 "[ . 1 . 2]" 1
1203 1 34 VAL QG 1 35 GLY H . . 2.940 2.334 2.031 2.976 0.036 1 0 "[ . 1 . 2]" 1
1204 1 34 VAL QG 1 35 GLY QA . . 3.920 2.966 2.892 3.158 . 0 0 "[ . 1 . 2]" 1
1205 1 34 VAL QG 1 47 VAL H . . 3.990 3.348 2.994 4.012 0.022 1 0 "[ . 1 . 2]" 1
1206 1 34 VAL QG 1 48 LYS H . . 3.640 2.921 2.272 3.295 . 0 0 "[ . 1 . 2]" 1
1207 1 34 VAL QG 1 48 LYS HB2 . . 2.940 2.350 1.855 2.793 . 0 0 "[ . 1 . 2]" 1
1208 1 35 GLY QA 1 36 THR H . . 2.890 2.277 2.260 2.283 . 0 0 "[ . 1 . 2]" 1
1209 1 35 GLY QA 1 46 LEU H . . 4.990 4.193 3.833 4.398 . 0 0 "[ . 1 . 2]" 1
1210 1 36 THR H 1 46 LEU QD . . 4.070 3.266 2.630 3.790 . 0 0 "[ . 1 . 2]" 1
1211 1 36 THR HA 1 46 LEU QD . . 3.830 3.146 2.918 3.389 . 0 0 "[ . 1 . 2]" 1
1212 1 37 LEU H 1 37 LEU QD . . 4.690 3.627 3.459 3.835 . 0 0 "[ . 1 . 2]" 1
1213 1 37 LEU H 1 46 LEU QD . . 3.380 3.138 2.825 3.381 0.001 1 0 "[ . 1 . 2]" 1
1214 1 37 LEU HB3 1 38 SER QB . . 5.340 5.265 4.849 5.361 0.021 8 0 "[ . 1 . 2]" 1
1215 1 37 LEU QD 1 38 SER QB . . 4.150 3.746 3.574 4.443 0.293 20 0 "[ . 1 . 2]" 1
1216 1 37 LEU QD 1 39 ASN QD . . 3.920 2.291 1.911 2.883 . 0 0 "[ . 1 . 2]" 1
1217 1 37 LEU QD 1 42 GLY H . . 5.440 4.562 4.132 5.310 . 0 0 "[ . 1 . 2]" 1
1218 1 37 LEU QD 1 44 PHE H . . 4.600 3.341 2.914 4.123 . 0 0 "[ . 1 . 2]" 1
1219 1 37 LEU QD 1 44 PHE HB2 . . 4.890 3.263 2.818 3.833 . 0 0 "[ . 1 . 2]" 1
1220 1 37 LEU QD 1 44 PHE QD . . 4.120 2.139 1.953 3.017 . 0 0 "[ . 1 . 2]" 1
1221 1 38 SER QB 1 39 ASN H . . 3.920 3.429 3.125 3.897 . 0 0 "[ . 1 . 2]" 1
1222 1 38 SER QB 1 44 PHE H . . 4.630 4.235 3.859 4.619 . 0 0 "[ . 1 . 2]" 1
1223 1 38 SER QB 1 72 ILE MG . . 5.340 4.593 3.622 4.978 . 0 0 "[ . 1 . 2]" 1
1224 1 39 ASN H 1 42 GLY QA . . 4.480 3.913 3.758 4.093 . 0 0 "[ . 1 . 2]" 1
1225 1 39 ASN QB 1 41 GLN H . . 4.500 3.252 2.673 3.437 . 0 0 "[ . 1 . 2]" 1
1226 1 39 ASN QD 1 41 GLN H . . 5.220 2.955 1.893 3.451 . 0 0 "[ . 1 . 2]" 1
1227 1 39 ASN QD 1 41 GLN HB2 . . 4.300 2.107 1.912 2.777 . 0 0 "[ . 1 . 2]" 1
1228 1 39 ASN QD 1 41 GLN HB3 . . 4.830 3.035 2.456 3.985 . 0 0 "[ . 1 . 2]" 1
1229 1 39 ASN QD 1 41 GLN QG . . 5.180 3.357 2.067 3.945 . 0 0 "[ . 1 . 2]" 1
1230 1 39 ASN QD 1 42 GLY H . . 5.340 3.202 2.504 4.446 . 0 0 "[ . 1 . 2]" 1
1231 1 39 ASN QD 1 44 PHE QE . . 4.570 2.375 1.908 3.554 . 0 0 "[ . 1 . 2]" 1
1232 1 41 GLN H 1 41 GLN QG . . 3.380 2.928 1.936 3.317 . 0 0 "[ . 1 . 2]" 1
1233 1 41 GLN H 1 42 GLY QA . . 4.900 4.569 4.543 4.581 . 0 0 "[ . 1 . 2]" 1
1234 1 41 GLN HA 1 41 GLN QG . . 3.670 2.436 2.065 3.144 . 0 0 "[ . 1 . 2]" 1
1235 1 41 GLN QG 1 42 GLY H . . 4.710 4.424 3.867 4.625 . 0 0 "[ . 1 . 2]" 1
1236 1 42 GLY QA 1 43 THR H . . 2.800 2.219 2.160 2.264 . 0 0 "[ . 1 . 2]" 1
1237 1 44 PHE QD 1 57 ARG QG . . 4.380 3.108 2.120 4.089 . 0 0 "[ . 1 . 2]" 1
1238 1 44 PHE QE 1 57 ARG QG . . 4.840 3.555 2.804 4.349 . 0 0 "[ . 1 . 2]" 1
1239 1 44 PHE QE 1 57 ARG QD . . 3.840 2.398 2.089 3.188 . 0 0 "[ . 1 . 2]" 1
1240 1 45 ALA H 1 46 LEU QD . . 4.000 3.754 3.449 4.007 0.007 13 0 "[ . 1 . 2]" 1
1241 1 46 LEU H 1 46 LEU QD . . 3.020 2.949 2.648 3.039 0.019 16 0 "[ . 1 . 2]" 1
1242 1 46 LEU HA 1 46 LEU QD . . 2.780 2.222 2.098 2.326 . 0 0 "[ . 1 . 2]" 1
1243 1 46 LEU QD 1 55 ARG HA . . 3.600 2.921 2.485 3.404 . 0 0 "[ . 1 . 2]" 1
1244 1 46 LEU QD 1 55 ARG QD . . 3.740 3.341 2.003 3.751 0.011 18 0 "[ . 1 . 2]" 1
1245 1 46 LEU QD 1 56 VAL H . . 4.130 3.747 3.402 4.135 0.005 5 0 "[ . 1 . 2]" 1
1246 1 48 LYS H 1 48 LYS QG . . 4.540 4.082 3.963 4.242 . 0 0 "[ . 1 . 2]" 1
1247 1 48 LYS HA 1 48 LYS QG . . 3.270 2.477 2.243 2.561 . 0 0 "[ . 1 . 2]" 1
1248 1 48 LYS HA 1 48 LYS QD . . 4.470 3.948 3.434 4.120 . 0 0 "[ . 1 . 2]" 1
1249 1 48 LYS QG 1 49 GLY H . . 3.420 2.361 2.078 2.623 . 0 0 "[ . 1 . 2]" 1
1250 1 48 LYS QG 1 52 GLY H . . 4.750 3.785 3.288 4.448 . 0 0 "[ . 1 . 2]" 1
1251 1 48 LYS QG 1 53 VAL HA . . 4.150 3.348 2.750 3.661 . 0 0 "[ . 1 . 2]" 1
1252 1 48 LYS QG 1 54 HIS H . . 5.230 4.988 4.425 5.246 0.016 14 0 "[ . 1 . 2]" 1
1253 1 48 LYS QD 1 49 GLY H . . 4.680 4.162 2.719 4.534 . 0 0 "[ . 1 . 2]" 1
1254 1 49 GLY QA 1 50 ALA MB . . 3.890 3.651 3.535 3.794 . 0 0 "[ . 1 . 2]" 1
1255 1 49 GLY QA 1 54 HIS HE1 . . 4.740 2.433 1.951 4.646 . 0 0 "[ . 1 . 2]" 1
1256 1 50 ALA HA 1 51 GLY QA . . 5.150 4.028 3.895 4.373 . 0 0 "[ . 1 . 2]" 1
1257 1 52 GLY QA 1 53 VAL H . . 2.910 2.243 2.151 2.283 . 0 0 "[ . 1 . 2]" 1
1258 1 52 GLY QA 1 53 VAL MG2 . . 4.690 3.387 3.179 3.539 . 0 0 "[ . 1 . 2]" 1
1259 1 54 HIS HB2 1 56 VAL QG . . 3.710 3.354 3.121 3.600 . 0 0 "[ . 1 . 2]" 1
1260 1 54 HIS HB3 1 56 VAL QG . . 4.960 3.752 3.366 4.262 . 0 0 "[ . 1 . 2]" 1
1261 1 55 ARG H 1 55 ARG QB . . 3.100 2.822 2.405 3.054 . 0 0 "[ . 1 . 2]" 1
1262 1 55 ARG H 1 55 ARG QD . . 4.440 4.208 3.770 4.501 0.061 13 0 "[ . 1 . 2]" 1
1263 1 55 ARG H 1 56 VAL QG . . 5.070 3.636 3.433 3.888 . 0 0 "[ . 1 . 2]" 1
1264 1 55 ARG HA 1 55 ARG QG . . 3.570 3.082 2.277 3.344 . 0 0 "[ . 1 . 2]" 1
1265 1 55 ARG QB 1 55 ARG QD . . 2.630 2.096 2.004 2.469 . 0 0 "[ . 1 . 2]" 1
1266 1 55 ARG QB 1 56 VAL H . . 3.400 3.197 2.941 3.421 0.021 17 0 "[ . 1 . 2]" 1
1267 1 55 ARG QG 1 56 VAL H . . 4.050 4.068 3.813 4.173 0.123 8 0 "[ . 1 . 2]" 1
1268 1 55 ARG QD 1 56 VAL H . . 5.340 5.202 4.825 5.335 . 0 0 "[ . 1 . 2]" 1
1269 1 56 VAL H 1 56 VAL QG . . 3.020 2.198 2.080 2.302 . 0 0 "[ . 1 . 2]" 1
1270 1 56 VAL QG 1 57 ARG H . . 3.450 3.359 3.194 3.490 0.040 14 0 "[ . 1 . 2]" 1
1271 1 56 VAL QG 1 60 ASP HB2 . . 3.480 3.022 2.900 3.203 . 0 0 "[ . 1 . 2]" 1
1272 1 56 VAL QG 1 60 ASP HB3 . . 2.850 2.438 2.142 2.841 . 0 0 "[ . 1 . 2]" 1
1273 1 56 VAL QG 1 61 TYR H . . 4.840 3.557 3.194 4.086 . 0 0 "[ . 1 . 2]" 1
1274 1 57 ARG H 1 57 ARG QG . . 2.790 2.136 1.950 2.374 . 0 0 "[ . 1 . 2]" 1
1275 1 57 ARG HB2 1 57 ARG QD . . 3.070 2.378 2.043 2.948 . 0 0 "[ . 1 . 2]" 1
1276 1 57 ARG QG 1 60 ASP H . . 4.520 3.470 3.126 3.793 . 0 0 "[ . 1 . 2]" 1
1277 1 57 ARG QD 1 58 VAL H . . 4.780 4.012 3.542 4.479 . 0 0 "[ . 1 . 2]" 1
1278 1 58 VAL H 1 58 VAL QG . . 2.660 2.091 1.959 2.208 . 0 0 "[ . 1 . 2]" 1
1279 1 58 VAL HA 1 58 VAL QG . . 2.780 2.146 2.043 2.297 . 0 0 "[ . 1 . 2]" 1
1280 1 58 VAL HA 1 59 GLY QA . . 4.350 3.912 3.908 3.931 . 0 0 "[ . 1 . 2]" 1
1281 1 58 VAL HA 1 69 VAL QG . . 3.090 1.981 1.928 2.189 . 0 0 "[ . 1 . 2]" 1
1282 1 58 VAL QG 1 59 GLY H . . 2.990 2.688 2.371 2.834 . 0 0 "[ . 1 . 2]" 1
1283 1 59 GLY H 1 68 LYS QG . . 4.920 3.473 3.244 3.829 . 0 0 "[ . 1 . 2]" 1
1284 1 59 GLY H 1 68 LYS QD . . 5.340 4.804 4.354 5.309 . 0 0 "[ . 1 . 2]" 1
1285 1 59 GLY H 1 69 VAL QG . . 3.460 2.972 2.671 3.177 . 0 0 "[ . 1 . 2]" 1
1286 1 60 ASP H 1 69 VAL QG . . 3.680 3.279 2.805 3.528 . 0 0 "[ . 1 . 2]" 1
1287 1 60 ASP HB2 1 69 VAL QG . . 3.620 2.581 2.021 2.852 . 0 0 "[ . 1 . 2]" 1
1288 1 61 TYR H 1 62 LEU QB . . 5.130 4.896 4.571 5.156 0.026 3 0 "[ . 1 . 2]" 1
1289 1 61 TYR H 1 69 VAL QG . . 4.590 4.324 3.701 4.593 0.003 9 0 "[ . 1 . 2]" 1
1290 1 61 TYR HA 1 69 VAL QG . . 4.040 3.721 3.395 3.937 . 0 0 "[ . 1 . 2]" 1
1291 1 61 TYR QE 1 68 LYS QG . . 4.210 2.750 2.506 4.012 . 0 0 "[ . 1 . 2]" 1
1292 1 61 TYR QE 1 68 LYS QD . . 3.960 2.786 2.258 3.887 . 0 0 "[ . 1 . 2]" 1
1293 1 62 LEU H 1 62 LEU QB . . 3.410 3.042 2.640 3.328 . 0 0 "[ . 1 . 2]" 1
1294 1 62 LEU H 1 62 LEU QD . . 3.830 3.148 2.515 3.881 0.051 3 0 "[ . 1 . 2]" 1
1295 1 62 LEU QB 1 63 GLY H . . 3.720 2.824 2.547 3.441 . 0 0 "[ . 1 . 2]" 1
1296 1 62 LEU QD 1 63 GLY H . . 4.720 3.497 2.616 4.221 . 0 0 "[ . 1 . 2]" 1
1297 1 63 GLY QA 1 64 ARG H . . 2.890 2.248 2.191 2.273 . 0 0 "[ . 1 . 2]" 1
1298 1 63 GLY QA 1 65 ASN H . . 4.080 2.957 2.872 3.104 . 0 0 "[ . 1 . 2]" 1
1299 1 64 ARG H 1 64 ARG QB . . 3.450 2.186 2.095 2.475 . 0 0 "[ . 1 . 2]" 1
1300 1 64 ARG H 1 64 ARG QG . . 3.110 2.908 2.364 3.121 0.011 20 0 "[ . 1 . 2]" 1
1301 1 64 ARG H 1 64 ARG QD . . 4.300 4.066 3.521 4.328 0.028 19 0 "[ . 1 . 2]" 1
1302 1 64 ARG HA 1 64 ARG QG . . 3.020 2.275 2.178 2.460 . 0 0 "[ . 1 . 2]" 1
1303 1 64 ARG HA 1 64 ARG QD . . 4.630 4.023 3.501 4.113 . 0 0 "[ . 1 . 2]" 1
1304 1 64 ARG QB 1 65 ASN H . . 3.480 3.168 2.986 3.495 0.015 11 0 "[ . 1 . 2]" 1
1305 1 65 ASN H 1 65 ASN QB . . 3.650 2.481 2.415 2.526 . 0 0 "[ . 1 . 2]" 1
1306 1 65 ASN QB 1 65 ASN HD22 . . 3.580 3.416 3.379 3.441 . 0 0 "[ . 1 . 2]" 1
1307 1 65 ASN QB 1 82 ILE H . . 3.050 1.975 1.902 2.291 . 0 0 "[ . 1 . 2]" 1
1308 1 66 ASP H 1 66 ASP QB . . 3.480 3.162 2.853 3.436 . 0 0 "[ . 1 . 2]" 1
1309 1 66 ASP QB 1 67 GLY H . . 4.370 3.898 3.868 3.935 . 0 0 "[ . 1 . 2]" 1
1310 1 66 ASP QB 1 82 ILE H . . 4.650 3.830 3.678 3.935 . 0 0 "[ . 1 . 2]" 1
1311 1 66 ASP QB 1 82 ILE HB . . 4.110 3.559 3.124 3.951 . 0 0 "[ . 1 . 2]" 1
1312 1 67 GLY HA2 1 81 GLU QG . . 3.580 2.436 2.001 2.701 . 0 0 "[ . 1 . 2]" 1
1313 1 67 GLY HA3 1 81 GLU QG . . 3.410 2.701 2.326 3.114 . 0 0 "[ . 1 . 2]" 1
1314 1 68 LYS H 1 68 LYS QG . . 4.580 3.995 3.886 4.016 . 0 0 "[ . 1 . 2]" 1
1315 1 68 LYS H 1 68 LYS QE . . 4.510 4.155 4.111 4.541 0.031 4 0 "[ . 1 . 2]" 1
1316 1 68 LYS H 1 81 GLU QG . . 4.220 4.098 3.755 4.287 0.067 11 0 "[ . 1 . 2]" 1
1317 1 68 LYS HA 1 68 LYS QG . . 3.340 2.523 2.456 2.587 . 0 0 "[ . 1 . 2]" 1
1318 1 68 LYS QG 1 69 VAL H . . 2.950 2.719 2.228 2.858 . 0 0 "[ . 1 . 2]" 1
1319 1 69 VAL H 1 69 VAL QG . . 2.850 2.213 2.011 2.370 . 0 0 "[ . 1 . 2]" 1
1320 1 69 VAL HA 1 69 VAL QG . . 3.020 2.088 2.053 2.143 . 0 0 "[ . 1 . 2]" 1
1321 1 69 VAL QG 1 70 VAL H . . 3.150 2.601 2.356 2.779 . 0 0 "[ . 1 . 2]" 1
1322 1 69 VAL QG 1 71 GLY H . . 3.330 2.858 2.311 3.047 . 0 0 "[ . 1 . 2]" 1
1323 1 73 SER H 1 73 SER QB . . 3.490 2.639 2.373 2.813 . 0 0 "[ . 1 . 2]" 1
1324 1 73 SER H 1 77 ILE QG . . 4.600 3.616 2.442 4.282 . 0 0 "[ . 1 . 2]" 1
1325 1 73 SER QB 1 74 GLU H . . 2.930 2.222 1.937 2.655 . 0 0 "[ . 1 . 2]" 1
1326 1 73 SER QB 1 74 GLU QB . . 4.830 4.386 4.155 4.764 . 0 0 "[ . 1 . 2]" 1
1327 1 73 SER QB 1 74 GLU QG . . 4.540 3.473 3.195 4.017 . 0 0 "[ . 1 . 2]" 1
1328 1 73 SER QB 1 75 GLY H . . 4.720 2.446 2.232 3.476 . 0 0 "[ . 1 . 2]" 1
1329 1 73 SER QB 1 76 LYS H . . 3.800 2.188 2.028 2.647 . 0 0 "[ . 1 . 2]" 1
1330 1 73 SER QB 1 76 LYS HB3 . . 5.340 4.163 3.981 4.625 . 0 0 "[ . 1 . 2]" 1
1331 1 73 SER QB 1 76 LYS QG . . 3.910 1.987 1.871 2.362 . 0 0 "[ . 1 . 2]" 1
1332 1 74 GLU H 1 74 GLU QB . . 3.140 2.677 2.595 2.784 . 0 0 "[ . 1 . 2]" 1
1333 1 74 GLU H 1 74 GLU QG . . 3.170 2.041 1.891 2.109 . 0 0 "[ . 1 . 2]" 1
1334 1 74 GLU QB 1 75 GLY H . . 4.420 3.709 3.595 3.994 . 0 0 "[ . 1 . 2]" 1
1335 1 74 GLU QG 1 75 GLY H . . 4.320 2.678 2.313 4.167 . 0 0 "[ . 1 . 2]" 1
1336 1 75 GLY QA 1 99 LEU H . . 4.200 3.359 3.022 3.598 . 0 0 "[ . 1 . 2]" 1
1337 1 75 GLY QA 1 99 LEU QB . . 3.200 2.576 2.145 2.919 . 0 0 "[ . 1 . 2]" 1
1338 1 75 GLY QA 1 99 LEU QD . . 3.990 2.563 1.923 3.078 . 0 0 "[ . 1 . 2]" 1
1339 1 76 LYS H 1 76 LYS QG . . 3.660 2.773 2.171 2.957 . 0 0 "[ . 1 . 2]" 1
1340 1 76 LYS H 1 99 LEU QD . . 4.680 4.414 4.070 4.691 0.011 3 0 "[ . 1 . 2]" 1
1341 1 76 LYS HA 1 99 LEU QD . . 4.600 4.600 4.525 4.661 0.061 6 0 "[ . 1 . 2]" 1
1342 1 76 LYS HB2 1 96 SER QB . . 3.760 3.061 2.701 3.553 . 0 0 "[ . 1 . 2]" 1
1343 1 76 LYS QG 1 77 ILE H . . 3.970 3.784 3.422 3.977 0.007 16 0 "[ . 1 . 2]" 1
1344 1 77 ILE H 1 77 ILE QG . . 4.420 2.845 2.651 3.489 . 0 0 "[ . 1 . 2]" 1
1345 1 77 ILE H 1 96 SER QB . . 4.160 3.887 3.698 4.241 0.081 12 0 "[ . 1 . 2]" 1
1346 1 78 ASP HA 1 96 SER QB . . 3.870 2.918 2.253 3.182 . 0 0 "[ . 1 . 2]" 1
1347 1 80 ILE H 1 81 GLU QG . . 4.650 4.428 4.271 4.669 0.019 11 0 "[ . 1 . 2]" 1
1348 1 80 ILE HA 1 81 GLU QG . . 4.210 3.977 3.548 4.222 0.012 10 0 "[ . 1 . 2]" 1
1349 1 80 ILE HA 1 94 PRO QB . . 4.240 3.836 3.484 4.254 0.014 12 0 "[ . 1 . 2]" 1
1350 1 81 GLU H 1 81 GLU QG . . 3.210 2.863 2.356 3.141 . 0 0 "[ . 1 . 2]" 1
1351 1 81 GLU H 1 95 ARG QB . . 5.040 4.274 3.219 4.830 . 0 0 "[ . 1 . 2]" 1
1352 1 81 GLU QG 1 82 ILE H . . 5.020 3.970 3.673 4.234 . 0 0 "[ . 1 . 2]" 1
1353 1 82 ILE H 1 82 ILE QG . . 4.040 2.591 2.118 3.635 . 0 0 "[ . 1 . 2]" 1
1354 1 83 VAL H 1 83 VAL QG . . 3.030 2.099 1.987 2.303 . 0 0 "[ . 1 . 2]" 1
1355 1 83 VAL QG 1 91 LEU H . . 3.370 3.218 2.899 3.384 0.014 13 0 "[ . 1 . 2]" 1
1356 1 83 VAL QG 1 93 ARG QD . . 3.080 2.239 1.824 3.095 0.015 2 0 "[ . 1 . 2]" 1
1357 1 85 ASP H 1 91 LEU QD . . 5.410 4.706 3.778 5.415 0.005 18 0 "[ . 1 . 2]" 1
1358 1 85 ASP QB 1 86 GLY H . . 3.680 2.680 2.256 2.985 . 0 0 "[ . 1 . 2]" 1
1359 1 85 ASP QB 1 87 GLU H . . 3.470 2.886 2.605 3.108 . 0 0 "[ . 1 . 2]" 1
1360 1 85 ASP QB 1 88 GLY H . . 4.940 3.451 3.171 4.402 . 0 0 "[ . 1 . 2]" 1
1361 1 85 ASP QB 1 89 ASN H . . 3.680 3.217 2.936 3.470 . 0 0 "[ . 1 . 2]" 1
1362 1 85 ASP QB 1 89 ASN HD21 . . 4.370 3.204 2.954 3.787 . 0 0 "[ . 1 . 2]" 1
1363 1 85 ASP QB 1 89 ASN HD22 . . 4.720 3.167 2.055 4.746 0.026 11 0 "[ . 1 . 2]" 1
1364 1 85 ASP QB 1 90 TRP H . . 5.340 4.805 4.550 5.081 . 0 0 "[ . 1 . 2]" 1
1365 1 87 GLU H 1 87 GLU QB . . 3.400 2.712 2.498 3.048 . 0 0 "[ . 1 . 2]" 1
1366 1 87 GLU H 1 87 GLU QG . . 4.250 2.219 1.910 2.394 . 0 0 "[ . 1 . 2]" 1
1367 1 87 GLU H 1 88 GLY QA . . 4.780 4.221 4.002 4.459 . 0 0 "[ . 1 . 2]" 1
1368 1 87 GLU QB 1 89 ASN HD21 . . 3.850 3.101 1.987 3.957 0.107 18 0 "[ . 1 . 2]" 1
1369 1 87 GLU QB 1 89 ASN HD22 . . 4.330 3.589 2.420 4.342 0.012 9 0 "[ . 1 . 2]" 1
1370 1 87 GLU QG 1 88 GLY H . . 4.830 3.240 1.922 4.320 . 0 0 "[ . 1 . 2]" 1
1371 1 87 GLU QG 1 89 ASN H . . 4.370 3.544 2.114 4.384 0.014 4 0 "[ . 1 . 2]" 1
1372 1 87 GLU QG 1 89 ASN HD22 . . 4.780 3.157 2.502 4.186 . 0 0 "[ . 1 . 2]" 1
1373 1 88 GLY QA 1 89 ASN H . . 3.070 2.872 2.749 2.907 . 0 0 "[ . 1 . 2]" 1
1374 1 89 ASN H 1 89 ASN QB . . 3.190 2.578 2.413 2.799 . 0 0 "[ . 1 . 2]" 1
1375 1 89 ASN QB 1 89 ASN HD21 . . 2.790 2.163 2.093 2.239 . 0 0 "[ . 1 . 2]" 1
1376 1 89 ASN QB 1 89 ASN HD22 . . 3.290 3.271 3.237 3.301 0.011 19 0 "[ . 1 . 2]" 1
1377 1 89 ASN QB 1 90 TRP H . . 3.340 2.835 2.474 3.164 . 0 0 "[ . 1 . 2]" 1
1378 1 91 LEU QD 1 92 GLU H . . 3.130 2.576 1.889 3.145 0.015 15 0 "[ . 1 . 2]" 1
1379 1 92 GLU H 1 92 GLU QB . . 3.010 2.538 2.308 2.669 . 0 0 "[ . 1 . 2]" 1
1380 1 92 GLU H 1 92 GLU QG . . 3.210 2.332 1.922 2.866 . 0 0 "[ . 1 . 2]" 1
1381 1 92 GLU HA 1 92 GLU QG . . 3.530 2.980 2.294 3.415 . 0 0 "[ . 1 . 2]" 1
1382 1 92 GLU QB 1 93 ARG H . . 3.500 2.768 2.609 2.941 . 0 0 "[ . 1 . 2]" 1
1383 1 92 GLU QG 1 93 ARG H . . 4.570 3.971 3.675 4.467 . 0 0 "[ . 1 . 2]" 1
1384 1 93 ARG H 1 94 PRO QD . . 4.250 3.433 3.336 4.034 . 0 0 "[ . 1 . 2]" 1
1385 1 95 ARG H 1 95 ARG QB . . 3.240 2.427 2.229 2.868 . 0 0 "[ . 1 . 2]" 1
1386 1 95 ARG H 1 95 ARG QG . . 3.890 3.348 2.412 4.047 0.157 16 0 "[ . 1 . 2]" 1
1387 1 95 ARG QB 1 96 SER H . . 3.310 2.901 1.960 3.479 0.169 14 0 "[ . 1 . 2]" 1
1388 1 95 ARG QG 1 96 SER H . . 4.190 3.415 1.901 4.200 0.010 10 0 "[ . 1 . 2]" 1
1389 1 96 SER H 1 96 SER QB . . 3.660 3.046 2.717 3.210 . 0 0 "[ . 1 . 2]" 1
1390 1 96 SER H 1 97 LEU QD . . 4.950 3.961 3.538 4.671 . 0 0 "[ . 1 . 2]" 1
1391 1 96 SER HA 1 97 LEU QD . . 3.470 3.319 2.958 3.474 0.004 5 0 "[ . 1 . 2]" 1
1392 1 96 SER QB 1 97 LEU H . . 3.290 3.310 3.259 3.370 0.080 12 0 "[ . 1 . 2]" 1
1393 1 96 SER QB 1 97 LEU HG . . 5.340 5.157 5.102 5.313 . 0 0 "[ . 1 . 2]" 1
1394 1 96 SER QB 1 97 LEU QD . . 4.530 4.361 4.253 4.423 . 0 0 "[ . 1 . 2]" 1
1395 1 96 SER QB 1 98 THR MG . . 3.480 3.196 3.008 3.496 0.016 12 0 "[ . 1 . 2]" 1
1396 1 97 LEU H 1 97 LEU QD . . 2.860 2.542 2.013 2.875 0.015 12 0 "[ . 1 . 2]" 1
1397 1 98 THR HB 1 99 LEU QB . . 4.520 4.091 3.908 4.226 . 0 0 "[ . 1 . 2]" 1
1398 1 99 LEU H 1 99 LEU QB . . 2.750 2.077 2.022 2.145 . 0 0 "[ . 1 . 2]" 1
1399 1 99 LEU H 1 99 LEU QD . . 3.580 3.322 3.085 3.512 . 0 0 "[ . 1 . 2]" 1
1400 1 99 LEU HA 1 99 LEU QD . . 3.360 2.430 1.912 2.970 . 0 0 "[ . 1 . 2]" 1
1401 1 99 LEU QB 1 100 LYS H . . 4.210 3.615 3.369 3.843 . 0 0 "[ . 1 . 2]" 1
1402 1 99 LEU QD 1 100 LYS H . . 3.400 3.086 1.956 3.414 0.014 19 0 "[ . 1 . 2]" 1
1403 1 100 LYS HA 1 100 LYS QG . . 3.680 2.746 2.158 3.344 . 0 0 "[ . 1 . 2]" 1
1404 1 101 GLU QG 1 102 ARG H . . 4.540 3.176 1.897 4.455 . 0 0 "[ . 1 . 2]" 1
1405 1 102 ARG H 1 102 ARG QB . . 3.600 2.612 2.176 3.363 . 0 0 "[ . 1 . 2]" 1
1406 1 102 ARG H 1 102 ARG QG . . 4.640 3.185 1.963 4.410 . 0 0 "[ . 1 . 2]" 1
1407 1 102 ARG QD 1 103 SER H . . 5.340 4.376 2.881 5.338 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 70
_Distance_constraint_stats_list.Viol_count 388
_Distance_constraint_stats_list.Viol_total 209.714
_Distance_constraint_stats_list.Viol_max 0.155
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0270
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 26 PHE 0.997 0.082 16 0 "[ . 1 . 2]"
1 34 VAL 0.244 0.040 16 0 "[ . 1 . 2]"
1 35 GLY 0.317 0.053 5 0 "[ . 1 . 2]"
1 37 LEU 0.040 0.022 20 0 "[ . 1 . 2]"
1 39 ASN 0.071 0.036 20 0 "[ . 1 . 2]"
1 42 GLY 0.071 0.036 20 0 "[ . 1 . 2]"
1 44 PHE 0.040 0.022 20 0 "[ . 1 . 2]"
1 45 ALA 0.644 0.062 5 0 "[ . 1 . 2]"
1 46 LEU 0.560 0.053 5 0 "[ . 1 . 2]"
1 47 VAL 0.465 0.044 18 0 "[ . 1 . 2]"
1 49 GLY 0.568 0.084 14 0 "[ . 1 . 2]"
1 52 GLY 0.568 0.084 14 0 "[ . 1 . 2]"
1 54 HIS 0.465 0.044 18 0 "[ . 1 . 2]"
1 56 VAL 0.644 0.062 5 0 "[ . 1 . 2]"
1 57 ARG 0.036 0.013 3 0 "[ . 1 . 2]"
1 59 GLY 0.225 0.022 12 0 "[ . 1 . 2]"
1 60 ASP 0.264 0.027 13 0 "[ . 1 . 2]"
1 62 LEU 1.621 0.073 13 0 "[ . 1 . 2]"
1 64 ARG 0.997 0.082 16 0 "[ . 1 . 2]"
1 65 ASN 0.045 0.016 11 0 "[ . 1 . 2]"
1 67 GLY 1.621 0.073 13 0 "[ . 1 . 2]"
1 68 LYS 0.108 0.063 4 0 "[ . 1 . 2]"
1 69 VAL 0.453 0.027 13 0 "[ . 1 . 2]"
1 70 VAL 0.619 0.057 20 0 "[ . 1 . 2]"
1 71 GLY 0.700 0.113 12 0 "[ . 1 . 2]"
1 73 SER 0.056 0.030 3 0 "[ . 1 . 2]"
1 76 LYS 0.056 0.030 3 0 "[ . 1 . 2]"
1 77 ILE 0.522 0.155 12 0 "[ . 1 . 2]"
1 78 ASP 1.319 0.113 12 0 "[ . 1 . 2]"
1 79 VAL 0.563 0.089 12 0 "[ . 1 . 2]"
1 80 ILE 0.108 0.063 4 0 "[ . 1 . 2]"
1 81 GLU 1.532 0.100 4 0 "[ . 1 . 2]"
1 82 ILE 0.045 0.016 11 0 "[ . 1 . 2]"
1 83 VAL 0.865 0.070 11 0 "[ . 1 . 2]"
1 85 ASP 0.022 0.010 16 0 "[ . 1 . 2]"
1 89 ASN 0.022 0.010 16 0 "[ . 1 . 2]"
1 91 LEU 0.865 0.070 11 0 "[ . 1 . 2]"
1 93 ARG 1.532 0.100 4 0 "[ . 1 . 2]"
1 95 ARG 0.563 0.089 12 0 "[ . 1 . 2]"
1 97 LEU 0.522 0.155 12 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 26 PHE O 1 64 ARG H . . 2.000 2.050 2.012 2.082 0.082 16 0 "[ . 1 . 2]" 2
2 1 26 PHE O 1 64 ARG N . . 3.000 2.731 2.702 2.828 . 0 0 "[ . 1 . 2]" 2
3 1 37 LEU H 1 44 PHE O . . 2.000 1.977 1.878 2.022 0.022 20 0 "[ . 1 . 2]" 2
4 1 37 LEU N 1 44 PHE O . . 3.000 2.864 2.742 2.975 . 0 0 "[ . 1 . 2]" 2
5 1 37 LEU O 1 44 PHE H . . 2.000 1.855 1.791 1.994 . 0 0 "[ . 1 . 2]" 2
6 1 37 LEU O 1 44 PHE N . . 3.000 2.749 2.726 2.771 . 0 0 "[ . 1 . 2]" 2
7 1 47 VAL H 1 54 HIS O . . 2.000 1.996 1.798 2.044 0.044 18 0 "[ . 1 . 2]" 2
8 1 47 VAL N 1 54 HIS O . . 3.000 2.940 2.726 3.015 0.015 7 0 "[ . 1 . 2]" 2
9 1 47 VAL O 1 54 HIS H . . 2.000 1.779 1.763 1.831 . 0 0 "[ . 1 . 2]" 2
10 1 47 VAL O 1 54 HIS N . . 3.000 2.743 2.698 2.773 . 0 0 "[ . 1 . 2]" 2
11 1 49 GLY H 1 52 GLY O . . 2.000 1.878 1.776 2.084 0.084 14 0 "[ . 1 . 2]" 2
12 1 49 GLY N 1 52 GLY O . . 3.000 2.818 2.747 2.961 . 0 0 "[ . 1 . 2]" 2
13 1 49 GLY O 1 52 GLY H . . 2.000 2.009 1.790 2.076 0.076 9 0 "[ . 1 . 2]" 2
14 1 49 GLY O 1 52 GLY N . . 3.000 2.761 2.709 2.811 . 0 0 "[ . 1 . 2]" 2
15 1 65 ASN O 1 82 ILE H . . 2.000 1.890 1.796 2.016 0.016 11 0 "[ . 1 . 2]" 2
16 1 65 ASN O 1 82 ILE N . . 3.000 2.775 2.736 2.990 . 0 0 "[ . 1 . 2]" 2
17 1 81 GLU H 1 93 ARG O . . 2.000 2.016 1.900 2.067 0.067 4 0 "[ . 1 . 2]" 2
18 1 81 GLU N 1 93 ARG O . . 3.000 2.981 2.852 3.037 0.037 4 0 "[ . 1 . 2]" 2
19 1 81 GLU O 1 93 ARG H . . 2.000 2.039 1.853 2.100 0.100 4 0 "[ . 1 . 2]" 2
20 1 81 GLU O 1 93 ARG N . . 3.000 2.710 2.681 2.743 . 0 0 "[ . 1 . 2]" 2
21 1 71 GLY O 1 78 ASP H . . 2.000 2.034 2.001 2.113 0.113 12 0 "[ . 1 . 2]" 2
22 1 71 GLY O 1 78 ASP N . . 3.000 2.737 2.692 2.758 . 0 0 "[ . 1 . 2]" 2
23 1 71 GLY H 1 78 ASP O . . 2.000 1.819 1.793 2.013 0.013 16 0 "[ . 1 . 2]" 2
24 1 71 GLY N 1 78 ASP O . . 3.000 2.767 2.742 2.864 . 0 0 "[ . 1 . 2]" 2
25 1 70 VAL H 1 78 ASP O . . 2.000 2.030 1.972 2.057 0.057 20 0 "[ . 1 . 2]" 2
26 1 70 VAL N 1 78 ASP O . . 3.000 2.969 2.910 3.000 . 0 0 "[ . 1 . 2]" 2
27 1 77 ILE O 1 97 LEU H . . 2.000 1.797 1.791 1.812 . 0 0 "[ . 1 . 2]" 2
28 1 77 ILE O 1 97 LEU N . . 3.000 2.748 2.709 2.760 . 0 0 "[ . 1 . 2]" 2
29 1 77 ILE H 1 97 LEU O . . 2.000 2.026 2.003 2.155 0.155 12 0 "[ . 1 . 2]" 2
30 1 77 ILE N 1 97 LEU O . . 3.000 2.840 2.756 2.940 . 0 0 "[ . 1 . 2]" 2
31 1 79 VAL H 1 95 ARG O . . 2.000 1.900 1.783 2.002 0.002 2 0 "[ . 1 . 2]" 2
32 1 79 VAL N 1 95 ARG O . . 3.000 2.865 2.747 2.972 . 0 0 "[ . 1 . 2]" 2
33 1 79 VAL O 1 95 ARG H . . 2.000 2.025 1.944 2.089 0.089 12 0 "[ . 1 . 2]" 2
34 1 79 VAL O 1 95 ARG N . . 3.000 2.870 2.741 2.998 . 0 0 "[ . 1 . 2]" 2
35 1 83 VAL O 1 91 LEU H . . 2.000 1.909 1.807 2.035 0.035 4 0 "[ . 1 . 2]" 2
36 1 83 VAL O 1 91 LEU N . . 3.000 2.783 2.719 2.955 . 0 0 "[ . 1 . 2]" 2
37 1 83 VAL H 1 91 LEU O . . 2.000 2.032 1.996 2.070 0.070 11 0 "[ . 1 . 2]" 2
38 1 83 VAL N 1 91 LEU O . . 3.000 2.997 2.957 3.034 0.034 1 0 "[ . 1 . 2]" 2
39 1 85 ASP H 1 89 ASN O . . 2.000 1.970 1.827 2.010 0.010 16 0 "[ . 1 . 2]" 2
40 1 85 ASP N 1 89 ASN O . . 3.000 2.774 2.733 2.850 . 0 0 "[ . 1 . 2]" 2
41 1 62 LEU H 1 67 GLY O . . 2.000 2.037 2.009 2.073 0.073 13 0 "[ . 1 . 2]" 2
42 1 62 LEU N 1 67 GLY O . . 3.000 2.840 2.751 2.910 . 0 0 "[ . 1 . 2]" 2
43 1 62 LEU O 1 67 GLY H . . 2.000 2.044 2.010 2.071 0.071 1 0 "[ . 1 . 2]" 2
44 1 62 LEU O 1 67 GLY N . . 3.000 2.729 2.705 2.787 . 0 0 "[ . 1 . 2]" 2
45 1 60 ASP O 1 69 VAL H . . 2.000 2.006 1.937 2.027 0.027 13 0 "[ . 1 . 2]" 2
46 1 60 ASP O 1 69 VAL N . . 3.000 2.943 2.858 2.969 . 0 0 "[ . 1 . 2]" 2
47 1 59 GLY H 1 69 VAL O . . 2.000 2.009 1.975 2.022 0.022 12 0 "[ . 1 . 2]" 2
48 1 59 GLY N 1 69 VAL O . . 3.000 2.873 2.754 2.943 . 0 0 "[ . 1 . 2]" 2
49 1 68 LYS O 1 80 ILE H . . 2.000 1.794 1.773 1.854 . 0 0 "[ . 1 . 2]" 2
50 1 68 LYS O 1 80 ILE N . . 3.000 2.736 2.707 2.750 . 0 0 "[ . 1 . 2]" 2
51 1 68 LYS H 1 80 ILE O . . 2.000 1.906 1.819 2.063 0.063 4 0 "[ . 1 . 2]" 2
52 1 68 LYS N 1 80 ILE O . . 3.000 2.817 2.739 2.952 . 0 0 "[ . 1 . 2]" 2
53 1 45 ALA O 1 56 VAL H . . 2.000 2.021 1.916 2.062 0.062 5 0 "[ . 1 . 2]" 2
54 1 45 ALA O 1 56 VAL N . . 3.000 2.984 2.876 3.021 0.021 5 0 "[ . 1 . 2]" 2
55 1 45 ALA H 1 56 VAL O . . 2.000 1.850 1.789 2.000 0.000 14 0 "[ . 1 . 2]" 2
56 1 45 ALA N 1 56 VAL O . . 3.000 2.749 2.726 2.896 . 0 0 "[ . 1 . 2]" 2
57 1 39 ASN H 1 42 GLY O . . 2.000 1.978 1.899 2.036 0.036 20 0 "[ . 1 . 2]" 2
58 1 39 ASN N 1 42 GLY O . . 3.000 2.935 2.872 2.985 . 0 0 "[ . 1 . 2]" 2
59 1 39 ASN O 1 42 GLY H . . 2.000 1.971 1.908 2.007 0.007 11 0 "[ . 1 . 2]" 2
60 1 39 ASN O 1 42 GLY N . . 3.000 2.753 2.711 2.781 . 0 0 "[ . 1 . 2]" 2
61 1 35 GLY O 1 46 LEU H . . 2.000 1.908 1.826 1.971 . 0 0 "[ . 1 . 2]" 2
62 1 35 GLY O 1 46 LEU N . . 3.000 2.744 2.724 2.759 . 0 0 "[ . 1 . 2]" 2
63 1 35 GLY H 1 46 LEU O . . 2.000 2.014 1.995 2.053 0.053 5 0 "[ . 1 . 2]" 2
64 1 35 GLY N 1 46 LEU O . . 3.000 2.932 2.858 3.011 0.011 14 0 "[ . 1 . 2]" 2
65 1 34 VAL H 1 46 LEU O . . 2.000 1.998 1.888 2.040 0.040 16 0 "[ . 1 . 2]" 2
66 1 34 VAL N 1 46 LEU O . . 3.000 2.895 2.746 2.989 . 0 0 "[ . 1 . 2]" 2
67 1 57 ARG O 1 60 ASP H . . 2.000 1.958 1.854 2.013 0.013 3 0 "[ . 1 . 2]" 2
68 1 57 ARG O 1 60 ASP N . . 3.000 2.880 2.806 2.962 . 0 0 "[ . 1 . 2]" 2
69 1 73 SER H 1 76 LYS O . . 2.000 1.925 1.869 2.030 0.030 3 0 "[ . 1 . 2]" 2
70 1 73 SER N 1 76 LYS O . . 3.000 2.752 2.730 2.847 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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