NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402666 |
1wfo   |
10076 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfo
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 1745
_Distance_constraint_stats_list.Viol_count 3109
_Distance_constraint_stats_list.Viol_total 3646.678
_Distance_constraint_stats_list.Viol_max 0.953
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0586
_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 8 ARG 0.080 0.050 16 0 "[ . 1 . 2]"
1 9 ILE 0.083 0.082 11 0 "[ . 1 . 2]"
1 10 GLY 0.082 0.082 11 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 HIS 4.362 0.513 9 1 "[ . +1 . 2]"
1 17 PRO 4.552 0.513 9 1 "[ . +1 . 2]"
1 18 PRO 0.190 0.090 5 0 "[ . 1 . 2]"
1 19 ILE 1.135 0.286 15 0 "[ . 1 . 2]"
1 20 LEU 7.031 0.597 15 6 "[ . *1 * +* -*]"
1 21 GLU 5.738 0.485 5 0 "[ . 1 . 2]"
1 22 ARG 4.351 0.415 12 0 "[ . 1 . 2]"
1 23 THR 1.512 0.483 20 0 "[ . 1 . 2]"
1 24 LEU 6.342 0.749 19 4 "[ . 1 -. *+*]"
1 25 ASP 2.001 0.586 14 1 "[ . 1 +. 2]"
1 26 ASP 1.033 0.084 14 0 "[ . 1 . 2]"
1 27 VAL 2.147 0.084 14 0 "[ . 1 . 2]"
1 28 PRO 2.312 0.262 12 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PRO 1.970 0.347 10 0 "[ . 1 . 2]"
1 31 PRO 0.444 0.040 8 0 "[ . 1 . 2]"
1 32 MET 7.560 0.278 5 0 "[ . 1 . 2]"
1 33 GLY 3.041 0.691 14 2 "[ . 1- +. 2]"
1 34 ILE 1.526 0.045 6 0 "[ . 1 . 2]"
1 35 LEU 1.255 0.113 15 0 "[ . 1 . 2]"
1 36 PHE 1.591 0.092 15 0 "[ . 1 . 2]"
1 37 PRO 6.130 0.222 15 0 "[ . 1 . 2]"
1 38 GLU 8.304 0.234 4 0 "[ . 1 . 2]"
1 39 VAL 1.050 0.102 12 0 "[ . 1 . 2]"
1 40 ARG 3.737 0.953 13 1 "[ . 1 + . 2]"
1 41 THR 4.013 0.953 13 1 "[ . 1 + . 2]"
1 42 THR 1.116 0.189 11 0 "[ . 1 . 2]"
1 43 SER 1.285 0.116 10 0 "[ . 1 . 2]"
1 44 VAL 2.642 0.137 20 0 "[ . 1 . 2]"
1 45 ARG 3.174 0.237 15 0 "[ . 1 . 2]"
1 46 LEU 1.914 0.092 15 0 "[ . 1 . 2]"
1 47 ILE 12.080 0.397 16 0 "[ . 1 . 2]"
1 48 TRP 1.863 0.066 19 0 "[ . 1 . 2]"
1 49 GLN 7.634 0.691 14 2 "[ . 1- +. 2]"
1 50 PRO 1.891 0.105 10 0 "[ . 1 . 2]"
1 51 PRO 0.400 0.027 2 0 "[ . 1 . 2]"
1 52 ALA 1.185 0.052 8 0 "[ . 1 . 2]"
1 53 ALA 1.083 0.206 14 0 "[ . 1 . 2]"
1 54 PRO 1.906 0.136 12 0 "[ . 1 . 2]"
1 55 ASN 1.012 0.262 12 0 "[ . 1 . 2]"
1 56 GLY 0.187 0.035 12 0 "[ . 1 . 2]"
1 57 ILE 1.421 0.160 11 0 "[ . 1 . 2]"
1 58 ILE 1.541 0.136 12 0 "[ . 1 . 2]"
1 59 LEU 2.693 0.483 14 0 "[ . 1 . 2]"
1 60 ALA 2.291 0.066 13 0 "[ . 1 . 2]"
1 61 TYR 0.150 0.021 16 0 "[ . 1 . 2]"
1 62 GLN 2.589 0.153 16 0 "[ . 1 . 2]"
1 63 ILE 4.070 0.086 2 0 "[ . 1 . 2]"
1 64 THR 1.122 0.153 16 0 "[ . 1 . 2]"
1 65 HIS 1.925 0.239 18 0 "[ . 1 . 2]"
1 66 ARG 9.347 0.448 14 0 "[ . 1 . 2]"
1 67 LEU 9.495 0.448 14 0 "[ . 1 . 2]"
1 68 ASN 7.351 0.339 14 0 "[ . 1 . 2]"
1 69 THR 1.590 0.151 2 0 "[ . 1 . 2]"
1 70 THR 3.826 0.254 10 0 "[ . 1 . 2]"
1 71 THR 2.071 0.269 12 0 "[ . 1 . 2]"
1 72 ALA 0.505 0.125 16 0 "[ . 1 . 2]"
1 73 ASN 1.934 0.254 19 0 "[ . 1 . 2]"
1 74 THR 5.524 0.317 20 0 "[ . 1 . 2]"
1 75 ALA 5.476 0.317 20 0 "[ . 1 . 2]"
1 76 THR 0.023 0.023 20 0 "[ . 1 . 2]"
1 77 VAL 0.333 0.094 5 0 "[ . 1 . 2]"
1 78 GLU 2.085 0.107 5 0 "[ . 1 . 2]"
1 79 VAL 2.695 0.147 16 0 "[ . 1 . 2]"
1 80 LEU 3.225 0.058 13 0 "[ . 1 . 2]"
1 81 ALA 4.462 0.142 9 0 "[ . 1 . 2]"
1 82 PRO 2.773 0.142 9 0 "[ . 1 . 2]"
1 83 SER 2.384 0.131 11 0 "[ . 1 . 2]"
1 84 ALA 3.626 0.131 11 0 "[ . 1 . 2]"
1 85 ARG 0.809 0.183 10 0 "[ . 1 . 2]"
1 86 GLN 2.847 0.397 16 0 "[ . 1 . 2]"
1 87 TYR 2.060 0.302 1 0 "[ . 1 . 2]"
1 88 THR 0.758 0.045 15 0 "[ . 1 . 2]"
1 89 ALA 1.513 0.091 19 0 "[ . 1 . 2]"
1 90 THR 0.388 0.043 8 0 "[ . 1 . 2]"
1 91 GLY 0.202 0.043 8 0 "[ . 1 . 2]"
1 92 LEU 0.376 0.324 19 0 "[ . 1 . 2]"
1 93 LYS 4.131 0.410 20 0 "[ . 1 . 2]"
1 94 PRO 3.853 0.093 11 0 "[ . 1 . 2]"
1 95 GLU 0.557 0.053 14 0 "[ . 1 . 2]"
1 96 SER 5.760 0.801 16 3 "[ . 1 * .+ -]"
1 97 VAL 5.294 0.642 13 2 "[ . 1 + . -]"
1 98 TYR 1.328 0.200 14 0 "[ . 1 . 2]"
1 99 LEU 0.675 0.082 11 0 "[ . 1 . 2]"
1 100 PHE 2.033 0.167 18 0 "[ . 1 . 2]"
1 101 ARG 4.762 0.307 20 0 "[ . 1 . 2]"
1 102 ILE 8.227 0.142 10 0 "[ . 1 . 2]"
1 103 THR 1.813 0.079 16 0 "[ . 1 . 2]"
1 104 ALA 1.981 0.072 12 0 "[ . 1 . 2]"
1 105 GLN 3.124 0.483 14 0 "[ . 1 . 2]"
1 106 THR 1.189 0.171 3 0 "[ . 1 . 2]"
1 107 ARG 1.483 0.340 20 0 "[ . 1 . 2]"
1 108 LYS 1.131 0.131 3 0 "[ . 1 . 2]"
1 109 GLY 0.256 0.057 10 0 "[ . 1 . 2]"
1 110 TRP 0.917 0.057 10 0 "[ . 1 . 2]"
1 111 GLY 0.168 0.028 13 0 "[ . 1 . 2]"
1 112 GLU 2.534 0.347 10 0 "[ . 1 . 2]"
1 113 ALA 2.632 0.307 20 0 "[ . 1 . 2]"
1 114 ALA 1.500 0.092 11 0 "[ . 1 . 2]"
1 115 GLU 9.273 0.389 7 0 "[ . 1 . 2]"
1 116 ALA 10.655 0.389 7 0 "[ . 1 . 2]"
1 117 LEU 4.067 0.212 18 0 "[ . 1 . 2]"
1 118 VAL 2.375 0.095 14 0 "[ . 1 . 2]"
1 119 VAL 4.309 0.200 14 0 "[ . 1 . 2]"
1 120 THR 2.643 0.801 16 2 "[ . 1 - .+ 2]"
1 121 THR 2.517 0.136 18 0 "[ . 1 . 2]"
1 122 GLU 7.020 0.440 8 0 "[ . 1 . 2]"
1 123 LYS 5.007 0.440 8 0 "[ . 1 . 2]"
1 124 ARG 1.821 0.322 9 0 "[ . 1 . 2]"
1 125 SER 0.001 0.001 9 0 "[ . 1 . 2]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 PRO 0.000 0.000 . 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 45 ARG HA 1 89 ALA H . . 4.330 3.048 2.921 3.254 . 0 0 "[ . 1 . 2]" 1
2 1 89 ALA H 1 90 THR MG . . 4.630 3.888 3.697 4.134 . 0 0 "[ . 1 . 2]" 1
3 1 44 VAL QG 1 89 ALA H . . 4.420 2.590 2.270 2.983 . 0 0 "[ . 1 . 2]" 1
4 1 87 TYR QE 1 89 ALA H . . 4.950 4.097 3.813 4.391 . 0 0 "[ . 1 . 2]" 1
5 1 105 GLN HE22 1 110 TRP HE1 . . 4.190 3.904 2.922 4.233 0.043 14 0 "[ . 1 . 2]" 1
6 1 105 GLN HE21 1 110 TRP HE1 . . 4.220 3.240 2.562 4.262 0.042 3 0 "[ . 1 . 2]" 1
7 1 35 LEU H 1 47 ILE H . . 4.150 2.906 2.789 3.038 . 0 0 "[ . 1 . 2]" 1
8 1 35 LEU H 1 46 LEU HA . . 5.090 4.949 4.754 5.109 0.019 16 0 "[ . 1 . 2]" 1
9 1 35 LEU H 1 35 LEU HB2 . . 4.090 2.700 2.573 2.871 . 0 0 "[ . 1 . 2]" 1
10 1 35 LEU H 1 35 LEU QD . . 3.970 3.049 2.215 3.706 . 0 0 "[ . 1 . 2]" 1
11 1 34 ILE HB 1 35 LEU H . . 4.920 4.323 4.187 4.434 . 0 0 "[ . 1 . 2]" 1
12 1 29 GLY H 1 55 ASN HD21 . . 4.780 3.799 3.435 4.368 . 0 0 "[ . 1 . 2]" 1
13 1 29 GLY H 1 30 PRO HD2 . . 4.880 4.509 4.411 4.638 . 0 0 "[ . 1 . 2]" 1
14 1 28 PRO HG2 1 29 GLY H . . 5.110 4.571 4.182 4.934 . 0 0 "[ . 1 . 2]" 1
15 1 29 GLY H 1 53 ALA MB . . 4.590 4.120 3.833 4.353 . 0 0 "[ . 1 . 2]" 1
16 1 79 VAL HA 1 80 LEU H . . 3.500 2.212 2.194 2.286 . 0 0 "[ . 1 . 2]" 1
17 1 80 LEU H 1 80 LEU HB2 . . 4.040 2.427 2.386 2.535 . 0 0 "[ . 1 . 2]" 1
18 1 63 ILE H 1 78 GLU H . . 4.560 2.685 2.532 3.051 . 0 0 "[ . 1 . 2]" 1
19 1 63 ILE H 1 79 VAL HA . . 4.420 3.672 3.364 3.826 . 0 0 "[ . 1 . 2]" 1
20 1 62 GLN HG3 1 63 ILE H . . 4.180 2.946 2.480 3.740 . 0 0 "[ . 1 . 2]" 1
21 1 100 PHE H 1 101 ARG H . . 4.590 4.351 4.189 4.416 . 0 0 "[ . 1 . 2]" 1
22 1 39 VAL H 1 40 ARG QG . . 4.870 3.881 3.729 4.294 . 0 0 "[ . 1 . 2]" 1
23 1 100 PHE H 1 118 VAL H . . 5.050 4.463 4.135 5.009 . 0 0 "[ . 1 . 2]" 1
24 1 100 PHE H 1 100 PHE QD . . 4.230 2.732 2.515 3.441 . 0 0 "[ . 1 . 2]" 1
25 1 100 PHE H 1 117 LEU HG . . 4.770 4.024 3.835 4.172 . 0 0 "[ . 1 . 2]" 1
26 1 100 PHE H 1 118 VAL MG1 . . 5.170 3.936 3.710 4.396 . 0 0 "[ . 1 . 2]" 1
27 1 40 ARG H 1 40 ARG HB2 . . 4.190 2.822 2.721 2.940 . 0 0 "[ . 1 . 2]" 1
28 1 39 VAL QG 1 40 ARG H . . 3.260 2.903 2.599 3.085 . 0 0 "[ . 1 . 2]" 1
29 1 40 ARG H 1 44 VAL QG . . 3.190 2.235 1.902 2.545 . 0 0 "[ . 1 . 2]" 1
30 1 83 SER H 1 84 ALA H . . 3.730 2.671 2.551 2.752 . 0 0 "[ . 1 . 2]" 1
31 1 61 TYR QD 1 84 ALA H . . 5.050 3.563 3.358 3.798 . 0 0 "[ . 1 . 2]" 1
32 1 82 PRO HA 1 84 ALA H . . 4.550 3.608 3.567 3.654 . 0 0 "[ . 1 . 2]" 1
33 1 77 VAL QG 1 78 GLU H . . 3.360 2.747 2.223 3.149 . 0 0 "[ . 1 . 2]" 1
34 1 78 GLU H 1 79 VAL H . . 5.100 4.363 4.271 4.447 . 0 0 "[ . 1 . 2]" 1
35 1 98 TYR H 1 117 LEU MD2 . . 4.830 3.737 3.319 4.203 . 0 0 "[ . 1 . 2]" 1
36 1 97 VAL QG 1 98 TYR H . . 3.430 2.592 2.259 3.151 . 0 0 "[ . 1 . 2]" 1
37 1 98 TYR H 1 98 TYR QD . . 4.670 2.983 2.633 3.204 . 0 0 "[ . 1 . 2]" 1
38 1 19 ILE HB 1 20 LEU H . . 4.240 4.103 2.967 4.526 0.286 15 0 "[ . 1 . 2]" 1
39 1 20 LEU H 1 20 LEU HB2 . . 3.360 2.923 2.318 3.355 . 0 0 "[ . 1 . 2]" 1
40 1 54 PRO HB3 1 56 GLY H . . 4.780 4.408 4.210 4.744 . 0 0 "[ . 1 . 2]" 1
41 1 55 ASN H 1 56 GLY H . . 4.140 2.958 2.899 3.063 . 0 0 "[ . 1 . 2]" 1
42 1 54 PRO HG2 1 56 GLY H . . 4.830 3.452 3.376 3.596 . 0 0 "[ . 1 . 2]" 1
43 1 77 VAL H 1 77 VAL HB . . 3.670 2.940 2.284 3.611 . 0 0 "[ . 1 . 2]" 1
44 1 76 THR MG 1 77 VAL H . . 3.780 3.456 3.334 3.737 . 0 0 "[ . 1 . 2]" 1
45 1 64 THR MG 1 77 VAL H . . 4.990 4.671 4.442 4.986 . 0 0 "[ . 1 . 2]" 1
46 1 76 THR H 1 77 VAL H . . 4.860 4.249 4.064 4.372 . 0 0 "[ . 1 . 2]" 1
47 1 32 MET QG 1 52 ALA H . . 3.810 3.808 3.721 3.837 0.027 19 0 "[ . 1 . 2]" 1
48 1 52 ALA H 1 53 ALA MB . . 4.790 4.597 4.522 4.663 . 0 0 "[ . 1 . 2]" 1
49 1 32 MET ME 1 52 ALA H . . 4.770 2.458 2.328 2.562 . 0 0 "[ . 1 . 2]" 1
50 1 113 ALA H 1 114 ALA H . . 4.760 4.293 4.214 4.375 . 0 0 "[ . 1 . 2]" 1
51 1 118 VAL MG1 1 119 VAL H . . 4.800 4.141 4.097 4.227 . 0 0 "[ . 1 . 2]" 1
52 1 103 THR MG 1 113 ALA H . . 4.310 4.084 3.996 4.154 . 0 0 "[ . 1 . 2]" 1
53 1 118 VAL H 1 119 VAL H . . 4.960 4.148 4.057 4.225 . 0 0 "[ . 1 . 2]" 1
54 1 45 ARG HG2 1 46 LEU H . . 4.200 3.086 2.791 3.273 . 0 0 "[ . 1 . 2]" 1
55 1 46 LEU H 1 86 GLN QB . . 5.180 4.386 3.987 4.785 . 0 0 "[ . 1 . 2]" 1
56 1 46 LEU H 1 89 ALA H . . 4.690 4.614 4.438 4.723 0.033 18 0 "[ . 1 . 2]" 1
57 1 45 ARG HB3 1 46 LEU H . . 4.700 4.435 4.313 4.492 . 0 0 "[ . 1 . 2]" 1
58 1 59 LEU H 1 59 LEU HG . . 4.210 3.276 2.314 4.243 0.033 7 0 "[ . 1 . 2]" 1
59 1 59 LEU H 1 106 THR HA . . 4.700 2.959 2.771 3.123 . 0 0 "[ . 1 . 2]" 1
60 1 79 VAL H 1 80 LEU H . . 4.900 4.528 4.477 4.589 . 0 0 "[ . 1 . 2]" 1
61 1 78 GLU HA 1 79 VAL H . . 3.100 2.258 2.236 2.265 . 0 0 "[ . 1 . 2]" 1
62 1 78 GLU QB 1 79 VAL H . . 3.680 3.706 3.684 3.762 0.082 16 0 "[ . 1 . 2]" 1
63 1 66 ARG HA 1 67 LEU H . . 3.340 2.362 2.246 2.769 . 0 0 "[ . 1 . 2]" 1
64 1 66 ARG HB3 1 67 LEU H . . 3.950 4.124 3.669 4.398 0.448 14 0 "[ . 1 . 2]" 1
65 1 67 LEU H 1 67 LEU HB2 . . 3.710 2.178 2.057 2.300 . 0 0 "[ . 1 . 2]" 1
66 1 67 LEU H 1 67 LEU HG . . 3.440 3.238 2.788 3.535 0.095 13 0 "[ . 1 . 2]" 1
67 1 66 ARG HG3 1 67 LEU H . . 4.690 3.920 2.585 4.691 0.001 13 0 "[ . 1 . 2]" 1
68 1 67 LEU H 1 67 LEU QD . . 3.830 2.896 1.890 3.618 . 0 0 "[ . 1 . 2]" 1
69 1 45 ARG H 1 46 LEU H . . 4.870 3.859 3.682 4.039 . 0 0 "[ . 1 . 2]" 1
70 1 44 VAL H 1 45 ARG H . . 5.070 4.417 4.363 4.468 . 0 0 "[ . 1 . 2]" 1
71 1 44 VAL HA 1 45 ARG H . . 3.270 2.542 2.464 2.636 . 0 0 "[ . 1 . 2]" 1
72 1 39 VAL HA 1 45 ARG H . . 4.590 2.590 2.268 2.912 . 0 0 "[ . 1 . 2]" 1
73 1 38 GLU QB 1 45 ARG H . . 4.100 3.954 3.701 4.110 0.010 4 0 "[ . 1 . 2]" 1
74 1 45 ARG H 1 45 ARG HB2 . . 4.110 3.395 3.273 3.476 . 0 0 "[ . 1 . 2]" 1
75 1 44 VAL QG 1 45 ARG H . . 3.510 2.915 2.742 3.060 . 0 0 "[ . 1 . 2]" 1
76 1 114 ALA H 1 115 GLU H . . 4.440 4.448 4.407 4.476 0.036 19 0 "[ . 1 . 2]" 1
77 1 101 ARG HA 1 114 ALA H . . 5.060 4.451 4.211 4.601 . 0 0 "[ . 1 . 2]" 1
78 1 103 THR HG1 1 114 ALA H . . 5.010 4.209 3.271 5.021 0.011 5 0 "[ . 1 . 2]" 1
79 1 113 ALA HA 1 114 ALA H . . 3.230 2.232 2.198 2.294 . 0 0 "[ . 1 . 2]" 1
80 1 31 PRO HD3 1 114 ALA H . . 4.830 3.138 3.059 3.221 . 0 0 "[ . 1 . 2]" 1
81 1 31 PRO HG2 1 114 ALA H . . 5.110 2.467 2.361 2.569 . 0 0 "[ . 1 . 2]" 1
82 1 102 ILE HB 1 114 ALA H . . 4.220 3.211 3.102 3.334 . 0 0 "[ . 1 . 2]" 1
83 1 34 ILE MD 1 114 ALA H . . 5.030 4.658 4.496 4.839 . 0 0 "[ . 1 . 2]" 1
84 1 30 PRO HB2 1 114 ALA H . . 4.990 4.872 4.700 4.994 0.004 2 0 "[ . 1 . 2]" 1
85 1 100 PHE H 1 116 ALA H . . 4.110 2.734 2.286 2.933 . 0 0 "[ . 1 . 2]" 1
86 1 100 PHE HB2 1 116 ALA H . . 4.910 3.182 2.937 3.305 . 0 0 "[ . 1 . 2]" 1
87 1 115 GLU HG3 1 116 ALA H . . 4.870 4.829 4.511 4.906 0.036 19 0 "[ . 1 . 2]" 1
88 1 102 ILE H 1 116 ALA H . . 4.590 4.657 4.633 4.708 0.118 17 0 "[ . 1 . 2]" 1
89 1 22 ARG HA 1 24 LEU H . . 4.690 4.220 3.769 4.956 0.266 20 0 "[ . 1 . 2]" 1
90 1 24 LEU H 1 24 LEU HB2 . . 3.220 2.470 1.995 3.162 . 0 0 "[ . 1 . 2]" 1
91 1 24 LEU H 1 24 LEU HB3 . . 4.020 3.345 2.610 4.028 0.008 7 0 "[ . 1 . 2]" 1
92 1 23 THR MG 1 24 LEU H . . 4.420 2.972 2.251 4.326 . 0 0 "[ . 1 . 2]" 1
93 1 24 LEU H 1 24 LEU MD1 . . 4.550 3.987 3.188 4.550 . 0 0 "[ . 1 . 2]" 1
94 1 123 LYS HG2 1 124 ARG H . . 5.080 3.949 2.406 4.988 . 0 0 "[ . 1 . 2]" 1
95 1 124 ARG H 1 124 ARG HB3 . . 4.140 3.239 2.497 4.077 . 0 0 "[ . 1 . 2]" 1
96 1 124 ARG H 1 124 ARG HG2 . . 4.810 4.275 3.103 4.821 0.011 4 0 "[ . 1 . 2]" 1
97 1 41 THR H 1 42 THR H . . 3.900 3.092 2.813 3.335 . 0 0 "[ . 1 . 2]" 1
98 1 40 ARG HB2 1 42 THR H . . 4.290 3.886 3.436 4.138 . 0 0 "[ . 1 . 2]" 1
99 1 122 GLU QG 1 123 LYS H . . 4.350 4.131 4.019 4.180 . 0 0 "[ . 1 . 2]" 1
100 1 122 GLU HB3 1 123 LYS H . . 3.800 3.924 3.571 4.240 0.440 8 0 "[ . 1 . 2]" 1
101 1 123 LYS H 1 123 LYS HG2 . . 4.150 3.950 3.456 4.181 0.031 14 0 "[ . 1 . 2]" 1
102 1 121 THR MG 1 123 LYS H . . 4.200 3.041 2.652 4.058 . 0 0 "[ . 1 . 2]" 1
103 1 88 THR H 1 89 ALA H . . 4.880 4.460 4.377 4.557 . 0 0 "[ . 1 . 2]" 1
104 1 87 TYR QE 1 88 THR H . . 5.120 4.309 3.826 4.841 . 0 0 "[ . 1 . 2]" 1
105 1 87 TYR HA 1 88 THR H . . 3.160 2.281 2.193 2.411 . 0 0 "[ . 1 . 2]" 1
106 1 87 TYR H 1 88 THR H . . 4.930 4.314 4.170 4.436 . 0 0 "[ . 1 . 2]" 1
107 1 45 ARG HA 1 88 THR H . . 5.160 4.911 4.716 5.076 . 0 0 "[ . 1 . 2]" 1
108 1 68 ASN H 1 99 LEU H . . 4.240 3.739 3.362 4.258 0.018 5 0 "[ . 1 . 2]" 1
109 1 68 ASN H 1 98 TYR HA . . 4.040 2.900 2.551 3.386 . 0 0 "[ . 1 . 2]" 1
110 1 68 ASN H 1 97 VAL HB . . 5.010 3.682 3.005 5.019 0.009 14 0 "[ . 1 . 2]" 1
111 1 67 LEU HB3 1 68 ASN H . . 4.320 3.544 2.975 3.896 . 0 0 "[ . 1 . 2]" 1
112 1 87 TYR QD 1 88 THR H . . 4.060 3.363 2.968 3.810 . 0 0 "[ . 1 . 2]" 1
113 1 87 TYR HB3 1 88 THR H . . 5.150 4.231 3.959 4.460 . 0 0 "[ . 1 . 2]" 1
114 1 87 TYR HB2 1 88 THR H . . 4.640 4.060 3.830 4.300 . 0 0 "[ . 1 . 2]" 1
115 1 48 TRP HE1 1 61 TYR QD . . 4.100 2.952 2.759 3.241 . 0 0 "[ . 1 . 2]" 1
116 1 48 TRP HE1 1 85 ARG HA . . 4.400 4.030 3.342 4.274 . 0 0 "[ . 1 . 2]" 1
117 1 48 TRP HE1 1 61 TYR QE . . 4.000 2.974 2.674 3.208 . 0 0 "[ . 1 . 2]" 1
118 1 102 ILE H 1 103 THR H . . 5.030 4.542 4.535 4.551 . 0 0 "[ . 1 . 2]" 1
119 1 34 ILE MD 1 102 ILE H . . 4.750 4.581 4.293 4.760 0.010 18 0 "[ . 1 . 2]" 1
120 1 102 ILE H 1 114 ALA H . . 3.900 2.925 2.727 3.092 . 0 0 "[ . 1 . 2]" 1
121 1 101 ARG HB2 1 102 ILE H . . 4.600 4.629 4.602 4.666 0.066 17 0 "[ . 1 . 2]" 1
122 1 102 ILE H 1 102 ILE HB . . 4.090 2.342 2.324 2.369 . 0 0 "[ . 1 . 2]" 1
123 1 81 ALA H 1 82 PRO HD2 . . 4.870 4.851 4.838 4.873 0.003 10 0 "[ . 1 . 2]" 1
124 1 81 ALA H 1 82 PRO HD3 . . 4.990 4.811 4.806 4.816 . 0 0 "[ . 1 . 2]" 1
125 1 80 LEU HB3 1 81 ALA H . . 3.810 2.296 2.270 2.404 . 0 0 "[ . 1 . 2]" 1
126 1 80 LEU MD1 1 81 ALA H . . 5.040 4.661 4.636 4.730 . 0 0 "[ . 1 . 2]" 1
127 1 9 ILE H 1 9 ILE HB . . 3.770 3.239 2.324 3.772 0.002 13 0 "[ . 1 . 2]" 1
128 1 9 ILE H 1 9 ILE QG . . 4.230 2.348 1.948 3.124 . 0 0 "[ . 1 . 2]" 1
129 1 21 GLU H 1 21 GLU HB2 . . 3.920 2.957 2.091 3.874 . 0 0 "[ . 1 . 2]" 1
130 1 21 GLU H 1 21 GLU HB3 . . 3.660 3.492 2.445 3.894 0.234 20 0 "[ . 1 . 2]" 1
131 1 20 LEU HG 1 21 GLU H . . 4.290 3.809 1.985 4.397 0.107 11 0 "[ . 1 . 2]" 1
132 1 21 GLU HB2 1 22 ARG H . . 4.390 4.120 2.334 4.748 0.358 1 0 "[ . 1 . 2]" 1
133 1 95 GLU H 1 120 THR HG1 . . 4.470 2.329 1.941 3.216 . 0 0 "[ . 1 . 2]" 1
134 1 95 GLU H 1 120 THR HB . . 4.850 3.631 3.343 3.826 . 0 0 "[ . 1 . 2]" 1
135 1 22 ARG H 1 22 ARG HB3 . . 3.850 3.455 2.478 4.045 0.195 17 0 "[ . 1 . 2]" 1
136 1 22 ARG H 1 22 ARG QG . . 4.170 3.784 2.046 4.164 . 0 0 "[ . 1 . 2]" 1
137 1 46 LEU H 1 87 TYR H . . 3.970 3.376 3.167 3.610 . 0 0 "[ . 1 . 2]" 1
138 1 45 ARG HG2 1 87 TYR H . . 4.720 3.633 3.018 3.932 . 0 0 "[ . 1 . 2]" 1
139 1 87 TYR H 1 87 TYR QD . . 5.000 4.027 3.857 4.162 . 0 0 "[ . 1 . 2]" 1
140 1 86 GLN H 1 87 TYR H . . 4.570 4.407 4.381 4.457 . 0 0 "[ . 1 . 2]" 1
141 1 48 TRP HH2 1 87 TYR H . . 4.550 3.959 3.624 4.216 . 0 0 "[ . 1 . 2]" 1
142 1 48 TRP HZ3 1 87 TYR H . . 4.160 2.268 2.011 2.614 . 0 0 "[ . 1 . 2]" 1
143 1 86 GLN QB 1 87 TYR H . . 3.940 2.452 2.192 2.607 . 0 0 "[ . 1 . 2]" 1
144 1 45 ARG HG3 1 87 TYR H . . 4.380 4.136 3.719 4.381 0.001 10 0 "[ . 1 . 2]" 1
145 1 46 LEU MD2 1 87 TYR H . . 4.170 2.949 2.698 3.301 . 0 0 "[ . 1 . 2]" 1
146 1 98 TYR H 1 99 LEU H . . 5.170 4.412 4.301 4.570 . 0 0 "[ . 1 . 2]" 1
147 1 98 TYR HB2 1 99 LEU H . . 4.990 4.434 4.297 4.525 . 0 0 "[ . 1 . 2]" 1
148 1 98 TYR QD 1 99 LEU H . . 4.960 4.093 3.659 4.590 . 0 0 "[ . 1 . 2]" 1
149 1 98 TYR HA 1 99 LEU H . . 3.340 2.212 2.187 2.252 . 0 0 "[ . 1 . 2]" 1
150 1 98 TYR HB3 1 99 LEU H . . 4.450 3.443 3.213 3.659 . 0 0 "[ . 1 . 2]" 1
151 1 93 LYS H 1 98 TYR QE . . 4.280 2.441 2.027 2.921 . 0 0 "[ . 1 . 2]" 1
152 1 93 LYS H 1 93 LYS HG3 . . 4.740 4.649 3.466 4.806 0.066 20 0 "[ . 1 . 2]" 1
153 1 92 LEU HB3 1 93 LYS H . . 4.090 2.630 2.360 3.045 . 0 0 "[ . 1 . 2]" 1
154 1 92 LEU HB2 1 93 LYS H . . 4.260 3.451 3.087 3.868 . 0 0 "[ . 1 . 2]" 1
155 1 121 THR H 1 122 GLU H . . 4.710 4.346 4.339 4.358 . 0 0 "[ . 1 . 2]" 1
156 1 121 THR HB 1 122 GLU H . . 3.740 3.784 3.695 3.876 0.136 18 0 "[ . 1 . 2]" 1
157 1 98 TYR H 1 118 VAL H . . 4.110 2.559 2.340 3.059 . 0 0 "[ . 1 . 2]" 1
158 1 117 LEU H 1 118 VAL H . . 4.650 4.580 4.551 4.604 . 0 0 "[ . 1 . 2]" 1
159 1 97 VAL HA 1 118 VAL H . . 4.830 4.085 3.880 4.256 . 0 0 "[ . 1 . 2]" 1
160 1 62 GLN H 1 102 ILE MG . . 4.710 3.818 3.721 3.906 . 0 0 "[ . 1 . 2]" 1
161 1 117 LEU HB3 1 118 VAL H . . 4.070 2.990 2.737 3.191 . 0 0 "[ . 1 . 2]" 1
162 1 19 ILE H 1 19 ILE HB . . 3.310 2.413 2.144 3.355 0.045 5 0 "[ . 1 . 2]" 1
163 1 19 ILE H 1 19 ILE HG12 . . 3.910 3.491 2.140 3.985 0.075 20 0 "[ . 1 . 2]" 1
164 1 19 ILE H 1 19 ILE HG13 . . 3.950 2.890 2.220 3.902 . 0 0 "[ . 1 . 2]" 1
165 1 97 VAL H 1 98 TYR H . . 4.810 4.338 3.914 4.478 . 0 0 "[ . 1 . 2]" 1
166 1 96 SER HA 1 97 VAL H . . 3.130 2.725 2.528 2.831 . 0 0 "[ . 1 . 2]" 1
167 1 96 SER HB3 1 97 VAL H . . 3.920 2.328 1.931 4.013 0.093 13 0 "[ . 1 . 2]" 1
168 1 97 VAL H 1 97 VAL HB . . 3.540 2.906 2.648 3.726 0.186 16 0 "[ . 1 . 2]" 1
169 1 62 GLN H 1 63 ILE H . . 4.850 4.320 4.288 4.361 . 0 0 "[ . 1 . 2]" 1
170 1 62 GLN H 1 103 THR H . . 4.290 2.278 2.200 2.405 . 0 0 "[ . 1 . 2]" 1
171 1 61 TYR QD 1 62 GLN H . . 4.760 3.253 3.110 3.399 . 0 0 "[ . 1 . 2]" 1
172 1 62 GLN H 1 110 TRP HZ3 . . 3.940 2.256 2.125 2.361 . 0 0 "[ . 1 . 2]" 1
173 1 61 TYR HB2 1 62 GLN H . . 4.630 3.788 3.742 3.866 . 0 0 "[ . 1 . 2]" 1
174 1 62 GLN H 1 62 GLN HB3 . . 4.190 2.740 2.682 2.840 . 0 0 "[ . 1 . 2]" 1
175 1 61 TYR H 1 62 GLN H . . 5.050 4.423 4.406 4.437 . 0 0 "[ . 1 . 2]" 1
176 1 62 GLN H 1 62 GLN HG2 . . 4.870 4.410 4.303 4.816 . 0 0 "[ . 1 . 2]" 1
177 1 62 GLN H 1 62 GLN HB2 . . 4.170 3.276 3.159 3.358 . 0 0 "[ . 1 . 2]" 1
178 1 62 GLN H 1 104 ALA MB . . 4.930 4.926 4.850 4.961 0.031 9 0 "[ . 1 . 2]" 1
179 1 116 ALA H 1 117 LEU H . . 4.710 4.237 4.168 4.308 . 0 0 "[ . 1 . 2]" 1
180 1 117 LEU H 1 117 LEU HB2 . . 3.460 2.288 2.254 2.363 . 0 0 "[ . 1 . 2]" 1
181 1 116 ALA MB 1 117 LEU H . . 3.510 3.264 3.136 3.339 . 0 0 "[ . 1 . 2]" 1
182 1 117 LEU H 1 117 LEU MD2 . . 4.270 4.273 4.217 4.316 0.046 19 0 "[ . 1 . 2]" 1
183 1 96 SER HG 1 97 VAL H . . 4.760 4.201 3.173 4.596 . 0 0 "[ . 1 . 2]" 1
184 1 25 ASP H 1 26 ASP H . . 5.090 4.380 3.871 4.659 . 0 0 "[ . 1 . 2]" 1
185 1 105 GLN H 1 110 TRP HZ3 . . 5.060 3.937 3.592 4.051 . 0 0 "[ . 1 . 2]" 1
186 1 60 ALA H 1 105 GLN H . . 4.280 2.580 2.499 2.642 . 0 0 "[ . 1 . 2]" 1
187 1 105 GLN H 1 105 GLN HG2 . . 5.050 4.366 4.238 4.554 . 0 0 "[ . 1 . 2]" 1
188 1 57 ILE H 1 106 THR HB . . 5.080 4.770 3.604 5.078 . 0 0 "[ . 1 . 2]" 1
189 1 57 ILE H 1 58 ILE H . . 4.540 4.510 4.365 4.621 0.081 20 0 "[ . 1 . 2]" 1
190 1 56 GLY H 1 57 ILE H . . 4.920 3.853 3.480 4.190 . 0 0 "[ . 1 . 2]" 1
191 1 57 ILE H 1 57 ILE HG13 . . 4.020 3.924 3.556 3.977 . 0 0 "[ . 1 . 2]" 1
192 1 52 ALA H 1 53 ALA H . . 3.410 2.851 2.784 2.896 . 0 0 "[ . 1 . 2]" 1
193 1 51 PRO HB2 1 53 ALA H . . 4.470 2.633 2.590 2.717 . 0 0 "[ . 1 . 2]" 1
194 1 53 ALA H 1 54 PRO HD2 . . 4.750 4.553 4.529 4.580 . 0 0 "[ . 1 . 2]" 1
195 1 115 GLU H 1 116 ALA H . . 4.500 4.469 4.435 4.506 0.006 9 0 "[ . 1 . 2]" 1
196 1 110 TRP H 1 110 TRP HB3 . . 3.910 3.676 3.581 3.746 . 0 0 "[ . 1 . 2]" 1
197 1 110 TRP H 1 110 TRP HB2 . . 3.570 2.510 2.373 2.633 . 0 0 "[ . 1 . 2]" 1
198 1 103 THR MG 1 110 TRP H . . 5.030 5.044 5.008 5.069 0.039 16 0 "[ . 1 . 2]" 1
199 1 53 ALA H 1 54 PRO HD3 . . 4.750 3.515 3.478 3.558 . 0 0 "[ . 1 . 2]" 1
200 1 107 ARG H 1 107 ARG HG2 . . 3.900 2.079 1.935 2.258 . 0 0 "[ . 1 . 2]" 1
201 1 102 ILE HG13 1 103 THR H . . 4.670 4.693 4.652 4.749 0.079 16 0 "[ . 1 . 2]" 1
202 1 103 THR H 1 103 THR MG . . 4.000 3.994 3.986 3.999 . 0 0 "[ . 1 . 2]" 1
203 1 63 ILE HA 1 103 THR H . . 4.580 4.047 3.935 4.146 . 0 0 "[ . 1 . 2]" 1
204 1 62 GLN HB3 1 103 THR H . . 4.950 3.544 3.437 3.668 . 0 0 "[ . 1 . 2]" 1
205 1 100 PHE HB2 1 101 ARG H . . 4.800 4.578 4.532 4.602 . 0 0 "[ . 1 . 2]" 1
206 1 64 THR H 1 101 ARG H . . 4.220 2.585 2.385 2.863 . 0 0 "[ . 1 . 2]" 1
207 1 100 PHE QD 1 101 ARG H . . 4.730 4.440 3.753 4.616 . 0 0 "[ . 1 . 2]" 1
208 1 63 ILE MG 1 101 ARG H . . 4.800 4.309 4.041 4.456 . 0 0 "[ . 1 . 2]" 1
209 1 101 ARG H 1 101 ARG HG2 . . 4.750 4.713 4.701 4.750 . 7 0 "[ . 1 . 2]" 1
210 1 111 GLY H 1 112 GLU H . . 4.810 4.282 4.154 4.413 . 0 0 "[ . 1 . 2]" 1
211 1 111 GLY QA 1 112 GLU H . . 3.520 2.259 2.216 2.300 . 0 0 "[ . 1 . 2]" 1
212 1 112 GLU H 1 112 GLU HG2 . . 4.910 4.478 4.405 4.576 . 0 0 "[ . 1 . 2]" 1
213 1 112 GLU H 1 113 ALA H . . 4.790 4.657 4.632 4.672 . 0 0 "[ . 1 . 2]" 1
214 1 43 SER HA 1 92 LEU H . . 4.600 4.189 3.758 4.608 0.008 11 0 "[ . 1 . 2]" 1
215 1 42 THR HA 1 92 LEU H . . 4.050 2.330 1.930 2.876 . 0 0 "[ . 1 . 2]" 1
216 1 92 LEU H 1 92 LEU HG . . 3.490 2.605 2.373 3.814 0.324 19 0 "[ . 1 . 2]" 1
217 1 84 ALA MB 1 85 ARG H . . 3.900 3.275 3.088 3.525 . 0 0 "[ . 1 . 2]" 1
218 1 85 ARG H 1 85 ARG HG2 . . 4.920 4.058 2.592 4.844 . 0 0 "[ . 1 . 2]" 1
219 1 85 ARG H 1 85 ARG HG3 . . 4.750 4.073 3.217 4.499 . 0 0 "[ . 1 . 2]" 1
220 1 95 GLU H 1 120 THR H . . 4.880 3.853 3.519 4.291 . 0 0 "[ . 1 . 2]" 1
221 1 96 SER H 1 120 THR H . . 3.680 2.454 2.196 2.651 . 0 0 "[ . 1 . 2]" 1
222 1 120 THR H 1 120 THR HG1 . . 4.250 2.462 2.112 3.122 . 0 0 "[ . 1 . 2]" 1
223 1 95 GLU HA 1 120 THR H . . 4.770 4.438 4.123 4.714 . 0 0 "[ . 1 . 2]" 1
224 1 120 THR H 1 121 THR MG . . 4.660 4.135 3.963 4.547 . 0 0 "[ . 1 . 2]" 1
225 1 98 TYR H 1 120 THR H . . 5.060 4.773 4.390 5.082 0.022 14 0 "[ . 1 . 2]" 1
226 1 120 THR H 1 121 THR H . . 4.640 4.356 4.280 4.480 . 0 0 "[ . 1 . 2]" 1
227 1 119 VAL HB 1 120 THR H . . 4.510 4.145 3.997 4.302 . 0 0 "[ . 1 . 2]" 1
228 1 64 THR MG 1 65 HIS H . . 4.530 4.303 4.080 4.392 . 0 0 "[ . 1 . 2]" 1
229 1 34 ILE HA 1 49 GLN H . . 5.070 4.813 4.681 4.969 . 0 0 "[ . 1 . 2]" 1
230 1 33 GLY HA3 1 49 GLN H . . 4.940 3.895 3.620 4.138 . 0 0 "[ . 1 . 2]" 1
231 1 32 MET H 1 33 GLY H . . 5.060 4.600 4.583 4.611 . 0 0 "[ . 1 . 2]" 1
232 1 32 MET H 1 32 MET HB2 . . 4.160 3.566 3.550 3.578 . 0 0 "[ . 1 . 2]" 1
233 1 32 MET H 1 32 MET HB3 . . 3.920 2.779 2.744 2.845 . 0 0 "[ . 1 . 2]" 1
234 1 31 PRO HB2 1 32 MET H . . 4.230 4.004 3.939 4.042 . 0 0 "[ . 1 . 2]" 1
235 1 48 TRP HD1 1 49 GLN H . . 4.660 3.003 2.779 3.290 . 0 0 "[ . 1 . 2]" 1
236 1 48 TRP HA 1 49 GLN H . . 3.460 2.676 2.608 2.766 . 0 0 "[ . 1 . 2]" 1
237 1 49 GLN H 1 50 PRO QD . . 4.850 4.306 4.295 4.313 . 0 0 "[ . 1 . 2]" 1
238 1 48 TRP HB2 1 49 GLN H . . 3.990 2.227 2.116 2.311 . 0 0 "[ . 1 . 2]" 1
239 1 48 TRP HB3 1 49 GLN H . . 3.750 3.722 3.646 3.774 0.024 10 0 "[ . 1 . 2]" 1
240 1 49 GLN H 1 49 GLN HB3 . . 3.980 3.645 3.565 3.722 . 0 0 "[ . 1 . 2]" 1
241 1 36 PHE H 1 36 PHE QD . . 3.830 2.820 2.703 2.918 . 0 0 "[ . 1 . 2]" 1
242 1 36 PHE H 1 36 PHE HB2 . . 3.730 2.319 2.275 2.394 . 0 0 "[ . 1 . 2]" 1
243 1 35 LEU HB3 1 36 PHE H . . 3.850 2.741 2.552 2.833 . 0 0 "[ . 1 . 2]" 1
244 1 36 PHE H 1 47 ILE MD . . 4.740 3.930 3.839 3.998 . 0 0 "[ . 1 . 2]" 1
245 1 107 ARG H 1 108 LYS H . . 4.310 2.554 2.458 2.646 . 0 0 "[ . 1 . 2]" 1
246 1 106 THR HG1 1 108 LYS H . . 4.220 3.823 3.553 3.945 . 0 0 "[ . 1 . 2]" 1
247 1 106 THR HB 1 108 LYS H . . 4.630 2.679 2.516 2.832 . 0 0 "[ . 1 . 2]" 1
248 1 107 ARG HG2 1 108 LYS H . . 4.270 3.100 2.779 3.490 . 0 0 "[ . 1 . 2]" 1
249 1 108 LYS H 1 108 LYS HB2 . . 4.020 2.542 2.262 2.730 . 0 0 "[ . 1 . 2]" 1
250 1 107 ARG HG3 1 108 LYS H . . 4.550 3.252 2.730 3.898 . 0 0 "[ . 1 . 2]" 1
251 1 108 LYS H 1 108 LYS HB3 . . 3.810 3.627 3.460 3.738 . 0 0 "[ . 1 . 2]" 1
252 1 106 THR HA 1 108 LYS H . . 4.830 4.118 4.011 4.246 . 0 0 "[ . 1 . 2]" 1
253 1 35 LEU H 1 36 PHE H . . 4.820 4.430 4.352 4.482 . 0 0 "[ . 1 . 2]" 1
254 1 106 THR MG 1 108 LYS H . . 5.030 4.160 4.103 4.193 . 0 0 "[ . 1 . 2]" 1
255 1 33 GLY H 1 34 ILE H . . 3.580 2.356 2.258 2.466 . 0 0 "[ . 1 . 2]" 1
256 1 32 MET HA 1 34 ILE H . . 4.270 3.771 3.610 3.943 . 0 0 "[ . 1 . 2]" 1
257 1 34 ILE H 1 34 ILE HG13 . . 3.720 3.578 3.489 3.683 . 0 0 "[ . 1 . 2]" 1
258 1 34 ILE H 1 34 ILE MG . . 3.920 3.777 3.760 3.799 . 0 0 "[ . 1 . 2]" 1
259 1 34 ILE H 1 35 LEU H . . 4.490 4.343 4.207 4.485 . 0 0 "[ . 1 . 2]" 1
260 1 60 ALA H 1 106 THR HA . . 4.820 4.736 4.628 4.837 0.017 12 0 "[ . 1 . 2]" 1
261 1 59 LEU HB3 1 60 ALA H . . 4.200 4.098 3.844 4.234 0.034 14 0 "[ . 1 . 2]" 1
262 1 60 ALA H 1 105 GLN HB2 . . 4.870 4.221 4.078 4.301 . 0 0 "[ . 1 . 2]" 1
263 1 59 LEU H 1 60 ALA H . . 3.400 2.021 1.894 2.144 . 0 0 "[ . 1 . 2]" 1
264 1 60 ALA H 1 61 TYR H . . 4.670 4.330 4.298 4.341 . 0 0 "[ . 1 . 2]" 1
265 1 60 ALA H 1 82 PRO HA . . 5.130 3.616 3.490 3.805 . 0 0 "[ . 1 . 2]" 1
266 1 60 ALA H 1 82 PRO HB2 . . 5.070 4.568 4.462 4.639 . 0 0 "[ . 1 . 2]" 1
267 1 58 ILE HB 1 60 ALA H . . 5.020 4.520 4.255 4.798 . 0 0 "[ . 1 . 2]" 1
268 1 59 LEU HB2 1 60 ALA H . . 4.200 3.172 3.117 3.263 . 0 0 "[ . 1 . 2]" 1
269 1 60 ALA H 1 105 GLN HB3 . . 4.270 2.686 2.561 2.853 . 0 0 "[ . 1 . 2]" 1
270 1 59 LEU QD 1 60 ALA H . . 4.880 4.031 3.705 4.242 . 0 0 "[ . 1 . 2]" 1
271 1 22 ARG HA 1 23 THR H . . 3.330 2.361 2.226 3.088 . 0 0 "[ . 1 . 2]" 1
272 1 22 ARG HB2 1 23 THR H . . 4.970 4.586 3.553 4.743 . 0 0 "[ . 1 . 2]" 1
273 1 22 ARG HB3 1 23 THR H . . 5.020 4.160 2.589 4.533 . 0 0 "[ . 1 . 2]" 1
274 1 22 ARG QG 1 23 THR H . . 5.000 3.868 3.244 4.465 . 0 0 "[ . 1 . 2]" 1
275 1 120 THR MG 1 121 THR H . . 4.310 4.073 3.966 4.234 . 0 0 "[ . 1 . 2]" 1
276 1 105 GLN HG2 1 106 THR H . . 4.060 3.128 2.567 4.231 0.171 3 0 "[ . 1 . 2]" 1
277 1 106 THR H 1 106 THR MG . . 4.210 3.052 2.932 3.190 . 0 0 "[ . 1 . 2]" 1
278 1 105 GLN HB2 1 106 THR H . . 4.980 4.325 4.236 4.411 . 0 0 "[ . 1 . 2]" 1
279 1 105 GLN H 1 106 THR H . . 5.140 4.333 4.259 4.452 . 0 0 "[ . 1 . 2]" 1
280 1 28 PRO HD2 1 106 THR H . . 5.070 4.422 4.250 4.577 . 0 0 "[ . 1 . 2]" 1
281 1 27 VAL MG1 1 106 THR H . . 5.140 3.731 3.428 4.013 . 0 0 "[ . 1 . 2]" 1
282 1 34 ILE HA 1 47 ILE H . . 4.980 4.240 4.169 4.316 . 0 0 "[ . 1 . 2]" 1
283 1 66 ARG H 1 99 LEU H . . 4.130 2.597 2.318 2.985 . 0 0 "[ . 1 . 2]" 1
284 1 65 HIS HB2 1 66 ARG H . . 4.230 3.266 3.061 3.503 . 0 0 "[ . 1 . 2]" 1
285 1 65 HIS HB3 1 66 ARG H . . 4.060 4.125 3.913 4.299 0.239 18 0 "[ . 1 . 2]" 1
286 1 66 ARG H 1 66 ARG HG2 . . 4.540 2.591 2.321 3.140 . 0 0 "[ . 1 . 2]" 1
287 1 66 ARG H 1 66 ARG HG3 . . 4.520 3.551 2.469 3.965 . 0 0 "[ . 1 . 2]" 1
288 1 66 ARG H 1 99 LEU QD . . 5.050 3.711 3.424 4.140 . 0 0 "[ . 1 . 2]" 1
289 1 66 ARG H 1 98 TYR QD . . 5.120 3.194 2.396 4.120 . 0 0 "[ . 1 . 2]" 1
290 1 66 ARG H 1 100 PHE HA . . 4.580 4.503 4.335 4.747 0.167 18 0 "[ . 1 . 2]" 1
291 1 38 GLU H 1 38 GLU HG3 . . 4.680 4.669 4.609 4.697 0.017 19 0 "[ . 1 . 2]" 1
292 1 38 GLU H 1 47 ILE MD . . 4.450 4.637 4.566 4.684 0.234 4 0 "[ . 1 . 2]" 1
293 1 38 GLU H 1 39 VAL H . . 4.270 4.264 4.118 4.321 0.051 18 0 "[ . 1 . 2]" 1
294 1 38 GLU H 1 45 ARG H . . 4.040 4.088 3.976 4.170 0.130 6 0 "[ . 1 . 2]" 1
295 1 38 GLU H 1 38 GLU QB . . 3.410 2.403 2.336 2.484 . 0 0 "[ . 1 . 2]" 1
296 1 38 GLU H 1 45 ARG HB3 . . 4.080 3.426 3.299 3.640 . 0 0 "[ . 1 . 2]" 1
297 1 40 ARG H 1 43 SER H . . 4.380 3.795 3.345 3.981 . 0 0 "[ . 1 . 2]" 1
298 1 43 SER H 1 44 VAL H . . 4.560 4.064 3.472 4.337 . 0 0 "[ . 1 . 2]" 1
299 1 41 THR H 1 43 SER H . . 4.270 3.513 3.217 3.881 . 0 0 "[ . 1 . 2]" 1
300 1 42 THR H 1 43 SER H . . 3.040 2.857 2.662 3.013 . 0 0 "[ . 1 . 2]" 1
301 1 41 THR HA 1 43 SER H . . 4.720 3.976 3.879 4.432 . 0 0 "[ . 1 . 2]" 1
302 1 40 ARG HB3 1 43 SER H . . 4.170 4.207 3.908 4.286 0.116 10 0 "[ . 1 . 2]" 1
303 1 40 ARG HB2 1 43 SER H . . 3.810 2.667 2.438 2.850 . 0 0 "[ . 1 . 2]" 1
304 1 42 THR MG 1 43 SER H . . 4.320 4.240 4.114 4.343 0.023 19 0 "[ . 1 . 2]" 1
305 1 95 GLU QG 1 96 SER H . . 4.830 4.532 4.446 4.630 . 0 0 "[ . 1 . 2]" 1
306 1 95 GLU H 1 96 SER H . . 4.000 2.715 2.612 2.951 . 0 0 "[ . 1 . 2]" 1
307 1 96 SER H 1 97 VAL H . . 4.730 4.354 4.317 4.394 . 0 0 "[ . 1 . 2]" 1
308 1 96 SER H 1 98 TYR QE . . 4.830 4.814 4.626 4.903 0.073 11 0 "[ . 1 . 2]" 1
309 1 96 SER H 1 120 THR HG1 . . 3.510 2.015 1.904 2.676 . 0 0 "[ . 1 . 2]" 1
310 1 96 SER H 1 119 VAL HA . . 4.180 4.121 3.842 4.201 0.021 11 0 "[ . 1 . 2]" 1
311 1 96 SER H 1 96 SER HG . . 4.150 3.764 2.985 4.286 0.136 10 0 "[ . 1 . 2]" 1
312 1 95 GLU HA 1 96 SER H . . 3.470 2.764 2.626 2.891 . 0 0 "[ . 1 . 2]" 1
313 1 95 GLU HB3 1 96 SER H . . 4.920 4.475 4.407 4.544 . 0 0 "[ . 1 . 2]" 1
314 1 48 TRP H 1 48 TRP HE3 . . 4.150 2.680 2.240 3.123 . 0 0 "[ . 1 . 2]" 1
315 1 48 TRP H 1 86 GLN HA . . 4.250 3.105 2.804 3.595 . 0 0 "[ . 1 . 2]" 1
316 1 47 ILE HB 1 48 TRP H . . 3.470 2.932 2.410 3.385 . 0 0 "[ . 1 . 2]" 1
317 1 47 ILE HG12 1 48 TRP H . . 4.690 3.596 3.075 3.997 . 0 0 "[ . 1 . 2]" 1
318 1 48 TRP H 1 49 GLN H . . 4.810 4.364 4.319 4.402 . 0 0 "[ . 1 . 2]" 1
319 1 47 ILE H 1 48 TRP H . . 5.070 4.368 4.221 4.434 . 0 0 "[ . 1 . 2]" 1
320 1 48 TRP H 1 85 ARG HA . . 4.990 3.842 3.497 4.022 . 0 0 "[ . 1 . 2]" 1
321 1 69 THR HB 1 70 THR H . . 5.190 3.613 2.004 4.501 . 0 0 "[ . 1 . 2]" 1
322 1 85 ARG H 1 86 GLN H . . 3.190 2.020 1.897 2.302 . 0 0 "[ . 1 . 2]" 1
323 1 47 ILE HA 1 86 GLN H . . 5.140 4.668 4.476 4.830 . 0 0 "[ . 1 . 2]" 1
324 1 85 ARG HB3 1 86 GLN H . . 4.770 3.589 2.996 4.218 . 0 0 "[ . 1 . 2]" 1
325 1 48 TRP HH2 1 86 GLN H . . 4.360 3.810 3.585 3.923 . 0 0 "[ . 1 . 2]" 1
326 1 48 TRP HZ2 1 86 GLN H . . 4.720 4.549 4.266 4.728 0.008 13 0 "[ . 1 . 2]" 1
327 1 44 VAL H 1 89 ALA H . . 3.960 2.930 2.738 3.102 . 0 0 "[ . 1 . 2]" 1
328 1 44 VAL H 1 88 THR HA . . 4.870 4.696 4.521 4.804 . 0 0 "[ . 1 . 2]" 1
329 1 44 VAL H 1 90 THR HA . . 4.620 3.703 3.499 3.986 . 0 0 "[ . 1 . 2]" 1
330 1 61 TYR H 1 61 TYR QD . . 4.500 3.244 3.061 3.373 . 0 0 "[ . 1 . 2]" 1
331 1 61 TYR H 1 80 LEU H . . 4.140 2.585 2.473 2.671 . 0 0 "[ . 1 . 2]" 1
332 1 74 THR H 1 75 ALA H . . 4.290 4.381 4.282 4.607 0.317 20 0 "[ . 1 . 2]" 1
333 1 68 ASN HD22 1 97 VAL QG . . 4.740 3.832 3.194 4.506 . 0 0 "[ . 1 . 2]" 1
334 1 33 GLY HA3 1 49 GLN HE21 . . 5.020 4.070 2.418 5.711 0.691 14 2 "[ . 1- +. 2]" 1
335 1 70 THR MG 1 71 THR H . . 4.270 2.517 1.876 4.023 . 0 0 "[ . 1 . 2]" 1
336 1 90 THR H 1 91 GLY H . . 4.930 4.461 4.293 4.531 . 0 0 "[ . 1 . 2]" 1
337 1 89 ALA H 1 90 THR H . . 4.710 4.400 4.288 4.543 . 0 0 "[ . 1 . 2]" 1
338 1 87 TYR QE 1 90 THR H . . 4.890 4.580 4.380 4.720 . 0 0 "[ . 1 . 2]" 1
339 1 88 THR MG 1 90 THR H . . 5.020 4.617 4.113 5.043 0.023 19 0 "[ . 1 . 2]" 1
340 1 90 THR H 1 92 LEU QD . . 4.960 3.516 2.643 3.733 . 0 0 "[ . 1 . 2]" 1
341 1 82 PRO HD2 1 83 SER H . . 4.880 2.618 2.511 2.711 . 0 0 "[ . 1 . 2]" 1
342 1 82 PRO HB2 1 83 SER H . . 4.290 3.957 3.868 4.026 . 0 0 "[ . 1 . 2]" 1
343 1 82 PRO HG2 1 83 SER H . . 4.970 3.741 3.595 3.861 . 0 0 "[ . 1 . 2]" 1
344 1 68 ASN H 1 69 THR H . . 4.650 2.703 2.567 2.926 . 0 0 "[ . 1 . 2]" 1
345 1 67 LEU HB3 1 69 THR H . . 4.260 2.468 2.146 2.880 . 0 0 "[ . 1 . 2]" 1
346 1 110 TRP HE3 1 111 GLY H . . 4.480 4.205 4.078 4.327 . 0 0 "[ . 1 . 2]" 1
347 1 110 TRP HA 1 111 GLY H . . 3.600 2.209 2.205 2.217 . 0 0 "[ . 1 . 2]" 1
348 1 110 TRP HB3 1 111 GLY H . . 4.840 3.643 3.475 3.785 . 0 0 "[ . 1 . 2]" 1
349 1 28 PRO HG3 1 111 GLY H . . 5.010 4.472 4.263 4.804 . 0 0 "[ . 1 . 2]" 1
350 1 105 GLN HA 1 111 GLY H . . 4.290 4.243 4.018 4.314 0.024 15 0 "[ . 1 . 2]" 1
351 1 28 PRO HD3 1 111 GLY H . . 4.790 3.856 3.695 4.126 . 0 0 "[ . 1 . 2]" 1
352 1 40 ARG HB2 1 41 THR H . . 3.910 2.474 2.264 2.907 . 0 0 "[ . 1 . 2]" 1
353 1 40 ARG HB3 1 41 THR H . . 3.740 2.147 1.948 2.281 . 0 0 "[ . 1 . 2]" 1
354 1 40 ARG H 1 41 THR H . . 4.880 4.326 4.291 4.387 . 0 0 "[ . 1 . 2]" 1
355 1 40 ARG HA 1 41 THR H . . 3.600 2.891 2.831 2.934 . 0 0 "[ . 1 . 2]" 1
356 1 53 ALA HA 1 55 ASN H . . 4.970 3.493 3.426 3.552 . 0 0 "[ . 1 . 2]" 1
357 1 54 PRO HD3 1 55 ASN H . . 4.890 3.664 3.657 3.671 . 0 0 "[ . 1 . 2]" 1
358 1 91 GLY H 1 92 LEU H . . 3.760 2.600 2.335 2.900 . 0 0 "[ . 1 . 2]" 1
359 1 43 SER HA 1 91 GLY H . . 4.980 3.688 3.433 3.845 . 0 0 "[ . 1 . 2]" 1
360 1 90 THR HA 1 91 GLY H . . 3.520 2.329 2.201 2.446 . 0 0 "[ . 1 . 2]" 1
361 1 90 THR MG 1 91 GLY H . . 3.880 3.880 3.823 3.923 0.043 8 0 "[ . 1 . 2]" 1
362 1 109 GLY H 1 110 TRP H . . 4.330 4.258 3.978 4.387 0.057 10 0 "[ . 1 . 2]" 1
363 1 108 LYS H 1 109 GLY H . . 3.530 2.147 1.889 2.315 . 0 0 "[ . 1 . 2]" 1
364 1 106 THR HG1 1 109 GLY H . . 5.100 3.211 2.983 3.435 . 0 0 "[ . 1 . 2]" 1
365 1 27 VAL HA 1 109 GLY H . . 5.050 4.160 3.836 4.467 . 0 0 "[ . 1 . 2]" 1
366 1 107 ARG HA 1 109 GLY H . . 4.650 4.468 4.234 4.677 0.027 8 0 "[ . 1 . 2]" 1
367 1 108 LYS HB2 1 109 GLY H . . 4.340 2.845 2.661 3.078 . 0 0 "[ . 1 . 2]" 1
368 1 108 LYS HB3 1 109 GLY H . . 4.380 3.882 3.286 4.190 . 0 0 "[ . 1 . 2]" 1
369 1 32 MET HA 1 33 GLY H . . 3.400 2.477 2.456 2.536 . 0 0 "[ . 1 . 2]" 1
370 1 48 TRP HE1 1 102 ILE MD . . 4.970 4.969 4.874 4.999 0.029 2 0 "[ . 1 . 2]" 1
371 1 48 TRP HE1 1 102 ILE MG . . 4.960 3.112 2.980 3.382 . 0 0 "[ . 1 . 2]" 1
372 1 67 LEU H 1 68 ASN H . . 4.290 4.517 4.399 4.629 0.339 14 0 "[ . 1 . 2]" 1
373 1 32 MET HA 1 33 GLY HA3 . . 4.510 4.553 4.535 4.588 0.078 17 0 "[ . 1 . 2]" 1
374 1 33 GLY HA3 1 49 GLN QG . . 4.400 4.043 3.475 4.414 0.014 13 0 "[ . 1 . 2]" 1
375 1 35 LEU HB2 1 37 PRO HD3 . . 4.470 3.659 3.519 3.787 . 0 0 "[ . 1 . 2]" 1
376 1 35 LEU HB2 1 36 PHE H . . 3.960 3.899 3.716 3.980 0.020 17 0 "[ . 1 . 2]" 1
377 1 35 LEU HB3 1 37 PRO HD3 . . 4.610 3.851 3.657 3.967 . 0 0 "[ . 1 . 2]" 1
378 1 35 LEU HB3 1 35 LEU QD . . 2.960 2.211 2.097 2.365 . 0 0 "[ . 1 . 2]" 1
379 1 35 LEU HB3 1 47 ILE MD . . 3.630 3.003 2.923 3.112 . 0 0 "[ . 1 . 2]" 1
380 1 63 ILE H 1 63 ILE MD . . 4.040 4.019 3.939 4.067 0.027 16 0 "[ . 1 . 2]" 1
381 1 63 ILE MD 1 103 THR H . . 4.460 4.478 4.443 4.513 0.053 2 0 "[ . 1 . 2]" 1
382 1 63 ILE MD 1 87 TYR QD . . 3.260 2.963 2.839 3.067 . 0 0 "[ . 1 . 2]" 1
383 1 48 TRP HE3 1 63 ILE MD . . 3.940 3.313 3.213 3.449 . 0 0 "[ . 1 . 2]" 1
384 1 48 TRP HH2 1 63 ILE MD . . 3.380 2.399 2.331 2.470 . 0 0 "[ . 1 . 2]" 1
385 1 48 TRP HZ3 1 63 ILE MD . . 3.570 2.404 2.320 2.442 . 0 0 "[ . 1 . 2]" 1
386 1 48 TRP HZ2 1 63 ILE MD . . 3.680 3.123 2.954 3.242 . 0 0 "[ . 1 . 2]" 1
387 1 63 ILE MD 1 102 ILE HA . . 3.970 3.782 3.717 3.868 . 0 0 "[ . 1 . 2]" 1
388 1 63 ILE HA 1 63 ILE MD . . 3.600 3.504 3.462 3.624 0.024 2 0 "[ . 1 . 2]" 1
389 1 63 ILE MD 1 87 TYR HA . . 4.080 4.139 4.105 4.163 0.083 7 0 "[ . 1 . 2]" 1
390 1 63 ILE MD 1 87 TYR HB2 . . 3.520 2.051 2.011 2.131 . 0 0 "[ . 1 . 2]" 1
391 1 63 ILE MD 1 87 TYR HB3 . . 3.420 2.109 2.012 2.278 . 0 0 "[ . 1 . 2]" 1
392 1 61 TYR HB3 1 63 ILE MD . . 3.870 3.652 3.548 3.735 . 0 0 "[ . 1 . 2]" 1
393 1 63 ILE MD 1 80 LEU HB2 . . 3.650 3.643 3.538 3.683 0.033 15 0 "[ . 1 . 2]" 1
394 1 63 ILE MD 1 102 ILE HG12 . . 3.590 2.261 2.156 2.423 . 0 0 "[ . 1 . 2]" 1
395 1 63 ILE HB 1 63 ILE MD . . 3.010 2.156 2.107 2.174 . 0 0 "[ . 1 . 2]" 1
396 1 63 ILE MD 1 80 LEU MD1 . . 2.960 1.653 1.633 1.666 . 0 0 "[ . 1 . 2]" 1
397 1 63 ILE MD 1 63 ILE MG . . 2.770 2.454 2.384 2.523 . 0 0 "[ . 1 . 2]" 1
398 1 63 ILE MD 1 102 ILE MD . . 3.270 3.059 2.918 3.195 . 0 0 "[ . 1 . 2]" 1
399 1 48 TRP HE3 1 102 ILE MD . . 3.890 2.445 2.273 2.704 . 0 0 "[ . 1 . 2]" 1
400 1 48 TRP HZ3 1 102 ILE MD . . 4.170 3.915 3.782 4.047 . 0 0 "[ . 1 . 2]" 1
401 1 48 TRP HD1 1 102 ILE MD . . 4.000 4.016 3.957 4.043 0.043 12 0 "[ . 1 . 2]" 1
402 1 102 ILE HA 1 102 ILE MD . . 4.210 3.826 3.816 3.835 . 0 0 "[ . 1 . 2]" 1
403 1 48 TRP HA 1 102 ILE MD . . 4.340 3.918 3.772 4.072 . 0 0 "[ . 1 . 2]" 1
404 1 34 ILE HA 1 102 ILE MD . . 4.420 3.790 3.668 3.985 . 0 0 "[ . 1 . 2]" 1
405 1 100 PHE HB2 1 102 ILE MD . . 4.460 4.338 4.022 4.478 0.018 12 0 "[ . 1 . 2]" 1
406 1 48 TRP HB2 1 102 ILE MD . . 3.910 2.700 2.574 2.826 . 0 0 "[ . 1 . 2]" 1
407 1 48 TRP HB3 1 102 ILE MD . . 4.120 1.911 1.821 2.049 . 0 0 "[ . 1 . 2]" 1
408 1 31 PRO HG2 1 102 ILE MD . . 3.920 3.579 3.347 3.794 . 0 0 "[ . 1 . 2]" 1
409 1 46 LEU HG 1 102 ILE MD . . 3.690 2.988 2.872 3.141 . 0 0 "[ . 1 . 2]" 1
410 1 31 PRO HB2 1 102 ILE MD . . 3.680 3.620 3.449 3.708 0.028 7 0 "[ . 1 . 2]" 1
411 1 102 ILE MD 1 114 ALA MB . . 3.620 3.159 2.903 3.340 . 0 0 "[ . 1 . 2]" 1
412 1 34 ILE HG13 1 102 ILE MD . . 3.650 3.285 3.160 3.414 . 0 0 "[ . 1 . 2]" 1
413 1 63 ILE HG12 1 102 ILE MD . . 3.970 3.638 3.447 3.778 . 0 0 "[ . 1 . 2]" 1
414 1 46 LEU MD2 1 102 ILE MD . . 3.250 3.037 2.851 3.188 . 0 0 "[ . 1 . 2]" 1
415 1 34 ILE MD 1 102 ILE MD . . 3.010 1.999 1.877 2.123 . 0 0 "[ . 1 . 2]" 1
416 1 46 LEU MD1 1 102 ILE MD . . 3.080 1.886 1.779 2.006 . 0 0 "[ . 1 . 2]" 1
417 1 102 ILE MD 1 102 ILE MG . . 2.810 2.296 2.151 2.460 . 0 0 "[ . 1 . 2]" 1
418 1 102 ILE H 1 102 ILE MD . . 3.780 3.425 3.301 3.532 . 0 0 "[ . 1 . 2]" 1
419 1 100 PHE HB3 1 102 ILE MD . . 4.260 3.387 3.046 3.535 . 0 0 "[ . 1 . 2]" 1
420 1 47 ILE H 1 47 ILE MD . . 3.510 1.820 1.776 1.838 . 0 0 "[ . 1 . 2]" 1
421 1 35 LEU H 1 47 ILE MD . . 3.920 2.033 1.926 2.163 . 0 0 "[ . 1 . 2]" 1
422 1 46 LEU HA 1 47 ILE MD . . 3.990 2.940 2.867 2.989 . 0 0 "[ . 1 . 2]" 1
423 1 47 ILE HA 1 47 ILE MD . . 3.950 3.466 3.431 3.495 . 0 0 "[ . 1 . 2]" 1
424 1 47 ILE MD 1 48 TRP HA . . 4.210 4.225 4.077 4.276 0.066 19 0 "[ . 1 . 2]" 1
425 1 35 LEU HA 1 47 ILE MD . . 4.400 3.635 3.583 3.675 . 0 0 "[ . 1 . 2]" 1
426 1 37 PRO HD2 1 47 ILE MD . . 3.780 2.780 2.681 2.826 . 0 0 "[ . 1 . 2]" 1
427 1 37 PRO HG3 1 47 ILE MD . . 3.320 2.229 2.126 2.301 . 0 0 "[ . 1 . 2]" 1
428 1 37 PRO HB3 1 47 ILE MD . . 3.820 3.630 3.568 3.711 . 0 0 "[ . 1 . 2]" 1
429 1 35 LEU HB2 1 47 ILE MD . . 3.090 1.912 1.867 1.973 . 0 0 "[ . 1 . 2]" 1
430 1 34 ILE MD 1 49 GLN H . . 3.730 2.903 2.767 3.079 . 0 0 "[ . 1 . 2]" 1
431 1 33 GLY H 1 34 ILE MD . . 4.280 3.618 3.399 3.815 . 0 0 "[ . 1 . 2]" 1
432 1 34 ILE MD 1 35 LEU H . . 3.940 3.873 3.772 3.952 0.012 1 0 "[ . 1 . 2]" 1
433 1 34 ILE H 1 34 ILE MD . . 3.400 2.939 2.688 3.061 . 0 0 "[ . 1 . 2]" 1
434 1 34 ILE MD 1 48 TRP HD1 . . 4.110 3.841 3.776 3.910 . 0 0 "[ . 1 . 2]" 1
435 1 34 ILE MD 1 48 TRP HA . . 3.580 2.419 2.267 2.566 . 0 0 "[ . 1 . 2]" 1
436 1 34 ILE HA 1 34 ILE MD . . 3.380 1.970 1.957 2.008 . 0 0 "[ . 1 . 2]" 1
437 1 31 PRO HA 1 34 ILE MD . . 4.490 4.263 4.135 4.400 . 0 0 "[ . 1 . 2]" 1
438 1 34 ILE MD 1 48 TRP HB2 . . 3.630 1.910 1.878 1.979 . 0 0 "[ . 1 . 2]" 1
439 1 34 ILE MD 1 48 TRP HB3 . . 3.730 1.953 1.925 2.037 . 0 0 "[ . 1 . 2]" 1
440 1 31 PRO HG2 1 34 ILE MD . . 3.830 3.218 3.065 3.428 . 0 0 "[ . 1 . 2]" 1
441 1 34 ILE HB 1 34 ILE MD . . 3.190 3.198 3.192 3.204 0.014 19 0 "[ . 1 . 2]" 1
442 1 32 MET H 1 34 ILE MD . . 4.250 4.149 4.026 4.240 . 0 0 "[ . 1 . 2]" 1
443 1 61 TYR HB2 1 80 LEU HB3 . . 4.010 3.232 3.112 3.347 . 0 0 "[ . 1 . 2]" 1
444 1 80 LEU HB2 1 81 ALA H . . 4.330 3.636 3.595 3.730 . 0 0 "[ . 1 . 2]" 1
445 1 61 TYR HB2 1 80 LEU HB2 . . 4.440 2.205 2.018 2.322 . 0 0 "[ . 1 . 2]" 1
446 1 46 LEU HB3 1 47 ILE H . . 4.480 3.981 3.954 4.003 . 0 0 "[ . 1 . 2]" 1
447 1 46 LEU H 1 46 LEU HB3 . . 3.810 2.623 2.535 2.767 . 0 0 "[ . 1 . 2]" 1
448 1 36 PHE QD 1 46 LEU HB3 . . 4.050 2.489 2.376 2.615 . 0 0 "[ . 1 . 2]" 1
449 1 36 PHE QE 1 46 LEU HB3 . . 4.150 2.361 2.188 2.522 . 0 0 "[ . 1 . 2]" 1
450 1 46 LEU H 1 46 LEU HB2 . . 4.020 3.708 3.660 3.771 . 0 0 "[ . 1 . 2]" 1
451 1 46 LEU HB2 1 47 ILE H . . 3.880 2.642 2.578 2.712 . 0 0 "[ . 1 . 2]" 1
452 1 36 PHE QE 1 46 LEU HB2 . . 3.950 3.397 3.169 3.559 . 0 0 "[ . 1 . 2]" 1
453 1 36 PHE QD 1 46 LEU HB2 . . 4.170 3.121 2.863 3.306 . 0 0 "[ . 1 . 2]" 1
454 1 57 ILE MD 1 58 ILE H . . 3.890 3.856 3.546 3.923 0.033 20 0 "[ . 1 . 2]" 1
455 1 57 ILE H 1 57 ILE MD . . 3.610 1.983 1.887 2.871 . 0 0 "[ . 1 . 2]" 1
456 1 56 GLY HA2 1 57 ILE MD . . 3.730 3.150 2.993 3.546 . 0 0 "[ . 1 . 2]" 1
457 1 117 LEU HB2 1 118 VAL H . . 4.290 4.160 4.005 4.294 0.004 13 0 "[ . 1 . 2]" 1
458 1 116 ALA HA 1 117 LEU HB2 . . 4.280 4.398 4.326 4.492 0.212 18 0 "[ . 1 . 2]" 1
459 1 117 LEU H 1 117 LEU HB3 . . 3.820 3.538 3.517 3.581 . 0 0 "[ . 1 . 2]" 1
460 1 99 LEU H 1 99 LEU HB3 . . 3.830 2.285 2.220 2.354 . 0 0 "[ . 1 . 2]" 1
461 1 66 ARG HG2 1 99 LEU HB3 . . 4.350 2.789 2.072 4.357 0.007 11 0 "[ . 1 . 2]" 1
462 1 99 LEU HB3 1 99 LEU QD . . 2.990 2.119 1.958 2.206 . 0 0 "[ . 1 . 2]" 1
463 1 99 LEU H 1 99 LEU HB2 . . 4.060 2.919 2.766 3.156 . 0 0 "[ . 1 . 2]" 1
464 1 99 LEU HB2 1 117 LEU MD2 . . 3.560 1.929 1.808 2.134 . 0 0 "[ . 1 . 2]" 1
465 1 27 VAL MG1 1 111 GLY QA . . 4.110 2.972 2.790 3.194 . 0 0 "[ . 1 . 2]" 1
466 1 27 VAL HB 1 111 GLY QA . . 3.820 2.014 1.880 2.243 . 0 0 "[ . 1 . 2]" 1
467 1 28 PRO HD2 1 111 GLY QA . . 4.270 2.450 2.256 2.668 . 0 0 "[ . 1 . 2]" 1
468 1 56 GLY HA3 1 57 ILE H . . 3.510 3.228 2.989 3.425 . 0 0 "[ . 1 . 2]" 1
469 1 56 GLY HA3 1 106 THR MG . . 4.060 2.751 2.398 2.922 . 0 0 "[ . 1 . 2]" 1
470 1 56 GLY HA2 1 57 ILE H . . 3.470 2.217 2.199 2.317 . 0 0 "[ . 1 . 2]" 1
471 1 58 ILE MD 1 61 TYR HH . . 4.320 3.836 3.064 4.319 . 0 0 "[ . 1 . 2]" 1
472 1 58 ILE MD 1 59 LEU H . . 4.200 3.626 3.408 3.864 . 0 0 "[ . 1 . 2]" 1
473 1 58 ILE H 1 58 ILE MD . . 3.830 3.073 2.779 3.418 . 0 0 "[ . 1 . 2]" 1
474 1 58 ILE MD 1 105 GLN H . . 4.400 3.491 3.314 3.820 . 0 0 "[ . 1 . 2]" 1
475 1 58 ILE MD 1 106 THR HG1 . . 4.000 3.997 3.901 4.037 0.037 1 0 "[ . 1 . 2]" 1
476 1 58 ILE HA 1 58 ILE MD . . 3.190 2.132 1.992 2.323 . 0 0 "[ . 1 . 2]" 1
477 1 54 PRO HA 1 58 ILE MD . . 3.450 3.459 3.430 3.484 0.034 11 0 "[ . 1 . 2]" 1
478 1 51 PRO HD2 1 58 ILE MD . . 3.470 3.478 3.451 3.497 0.027 2 0 "[ . 1 . 2]" 1
479 1 28 PRO HB3 1 58 ILE MD . . 3.580 2.612 2.396 2.758 . 0 0 "[ . 1 . 2]" 1
480 1 54 PRO HB2 1 58 ILE MD . . 3.460 3.299 3.041 3.596 0.136 12 0 "[ . 1 . 2]" 1
481 1 28 PRO HB2 1 58 ILE MD . . 3.590 3.185 2.980 3.312 . 0 0 "[ . 1 . 2]" 1
482 1 28 PRO HG2 1 58 ILE MD . . 3.130 3.114 2.934 3.177 0.047 16 0 "[ . 1 . 2]" 1
483 1 28 PRO HG3 1 58 ILE MD . . 3.170 2.164 2.024 2.278 . 0 0 "[ . 1 . 2]" 1
484 1 58 ILE MD 1 106 THR MG . . 3.010 2.016 1.878 2.118 . 0 0 "[ . 1 . 2]" 1
485 1 109 GLY HA3 1 110 TRP H . . 3.340 2.249 2.199 2.435 . 0 0 "[ . 1 . 2]" 1
486 1 109 GLY HA2 1 110 TRP H . . 3.400 3.142 2.824 3.339 . 0 0 "[ . 1 . 2]" 1
487 1 58 ILE MD 1 61 TYR QE . . 4.220 3.803 3.555 4.130 . 0 0 "[ . 1 . 2]" 1
488 1 101 ARG HB3 1 101 ARG HD3 . . 3.760 3.422 2.804 3.681 . 0 0 "[ . 1 . 2]" 1
489 1 101 ARG HB2 1 101 ARG HD3 . . 3.780 2.453 2.187 2.621 . 0 0 "[ . 1 . 2]" 1
490 1 101 ARG HD3 1 113 ALA MB . . 4.050 4.043 3.701 4.154 0.104 12 0 "[ . 1 . 2]" 1
491 1 66 ARG HB2 1 66 ARG HD2 . . 4.020 2.704 2.081 3.429 . 0 0 "[ . 1 . 2]" 1
492 1 66 ARG HB3 1 66 ARG HD2 . . 3.970 2.604 2.129 3.346 . 0 0 "[ . 1 . 2]" 1
493 1 66 ARG HB3 1 66 ARG HD3 . . 3.430 2.925 2.200 3.627 0.197 17 0 "[ . 1 . 2]" 1
494 1 66 ARG HD3 1 75 ALA MB . . 3.660 2.918 1.927 3.902 0.242 14 0 "[ . 1 . 2]" 1
495 1 59 LEU HB3 1 59 LEU QD . . 3.150 2.272 2.109 2.554 . 0 0 "[ . 1 . 2]" 1
496 1 38 GLU QB 1 45 ARG HD2 . . 3.970 2.360 1.987 4.114 0.144 15 0 "[ . 1 . 2]" 1
497 1 45 ARG HB3 1 45 ARG HD2 . . 3.720 2.178 1.980 3.545 . 0 0 "[ . 1 . 2]" 1
498 1 45 ARG HD2 1 47 ILE MG . . 4.290 4.127 3.165 4.300 0.010 3 0 "[ . 1 . 2]" 1
499 1 38 GLU QB 1 45 ARG HD3 . . 4.000 3.815 3.403 4.039 0.039 8 0 "[ . 1 . 2]" 1
500 1 45 ARG HB3 1 45 ARG HD3 . . 3.760 3.383 2.784 3.515 . 0 0 "[ . 1 . 2]" 1
501 1 45 ARG HD3 1 47 ILE MG . . 4.250 3.351 2.726 4.487 0.237 15 0 "[ . 1 . 2]" 1
502 1 8 ARG HA 1 8 ARG QD . . 3.570 3.303 2.322 3.620 0.050 16 0 "[ . 1 . 2]" 1
503 1 22 ARG HB3 1 22 ARG QD . . 2.960 2.482 1.979 3.375 0.415 12 0 "[ . 1 . 2]" 1
504 1 107 ARG HB3 1 107 ARG HD2 . . 3.450 2.625 2.119 3.790 0.340 20 0 "[ . 1 . 2]" 1
505 1 107 ARG HB3 1 107 ARG HD3 . . 3.590 3.174 2.386 3.584 . 0 0 "[ . 1 . 2]" 1
506 1 26 ASP HB2 1 27 VAL H . . 4.010 2.927 2.145 3.715 . 0 0 "[ . 1 . 2]" 1
507 1 26 ASP HB3 1 27 VAL H . . 4.130 3.343 2.803 3.732 . 0 0 "[ . 1 . 2]" 1
508 1 124 ARG HB2 1 124 ARG QD . . 3.360 2.675 1.968 3.270 . 0 0 "[ . 1 . 2]" 1
509 1 61 TYR HB3 1 102 ILE MG . . 4.410 3.431 3.288 3.619 . 0 0 "[ . 1 . 2]" 1
510 1 61 TYR HB2 1 63 ILE MD . . 4.550 4.401 4.267 4.558 0.008 11 0 "[ . 1 . 2]" 1
511 1 40 ARG HD3 1 41 THR H . . 4.450 4.477 4.238 5.403 0.953 13 1 "[ . 1 + . 2]" 1
512 1 40 ARG HB3 1 40 ARG HD3 . . 3.690 2.859 2.544 3.565 . 0 0 "[ . 1 . 2]" 1
513 1 40 ARG H 1 40 ARG HD3 . . 4.420 4.201 3.312 4.668 0.248 13 0 "[ . 1 . 2]" 1
514 1 40 ARG H 1 40 ARG HD2 . . 4.560 4.407 4.165 4.514 . 0 0 "[ . 1 . 2]" 1
515 1 40 ARG HB3 1 40 ARG HD2 . . 3.830 3.443 2.420 3.842 0.012 17 0 "[ . 1 . 2]" 1
516 1 40 ARG HB2 1 40 ARG HD2 . . 3.710 3.522 2.459 3.727 0.017 6 0 "[ . 1 . 2]" 1
517 1 61 TYR HB3 1 62 GLN H . . 4.470 2.390 2.336 2.514 . 0 0 "[ . 1 . 2]" 1
518 1 36 PHE HZ 1 100 PHE HB2 . . 4.250 2.183 1.993 2.773 . 0 0 "[ . 1 . 2]" 1
519 1 100 PHE H 1 100 PHE HB2 . . 4.020 2.116 2.056 2.269 . 0 0 "[ . 1 . 2]" 1
520 1 100 PHE HB3 1 101 ARG H . . 4.430 3.786 3.728 3.842 . 0 0 "[ . 1 . 2]" 1
521 1 48 TRP HZ3 1 87 TYR HB3 . . 4.120 2.121 1.976 2.345 . 0 0 "[ . 1 . 2]" 1
522 1 48 TRP HZ3 1 87 TYR HB2 . . 4.330 2.689 2.465 2.980 . 0 0 "[ . 1 . 2]" 1
523 1 20 LEU H 1 20 LEU HB3 . . 3.800 3.141 2.322 3.704 . 0 0 "[ . 1 . 2]" 1
524 1 67 LEU HB2 1 70 THR MG . . 3.980 2.040 1.760 2.496 . 0 0 "[ . 1 . 2]" 1
525 1 67 LEU H 1 67 LEU HB3 . . 3.830 3.445 3.319 3.515 . 0 0 "[ . 1 . 2]" 1
526 1 24 LEU HB2 1 24 LEU MD1 . . 3.190 2.763 1.996 3.219 0.029 5 0 "[ . 1 . 2]" 1
527 1 20 LEU HB2 1 20 LEU MD2 . . 3.500 2.887 2.124 3.208 . 0 0 "[ . 1 . 2]" 1
528 1 24 LEU HB2 1 25 ASP H . . 4.370 4.084 3.429 4.630 0.260 11 0 "[ . 1 . 2]" 1
529 1 24 LEU HB3 1 25 ASP H . . 4.490 3.031 1.957 4.406 . 0 0 "[ . 1 . 2]" 1
530 1 24 LEU HB3 1 24 LEU MD1 . . 3.520 2.490 2.144 3.207 . 0 0 "[ . 1 . 2]" 1
531 1 93 LYS QE 1 93 LYS HG3 . . 3.240 2.575 2.043 3.277 0.037 10 0 "[ . 1 . 2]" 1
532 1 67 LEU QD 1 93 LYS QE . . 3.630 2.248 1.763 3.270 . 0 0 "[ . 1 . 2]" 1
533 1 93 LYS H 1 93 LYS QE . . 4.190 4.245 4.159 4.600 0.410 20 0 "[ . 1 . 2]" 1
534 1 123 LYS QB 1 123 LYS QE . . 3.690 2.981 2.195 3.432 . 0 0 "[ . 1 . 2]" 1
535 1 123 LYS QE 1 123 LYS HG2 . . 3.170 2.640 2.030 3.249 0.079 13 0 "[ . 1 . 2]" 1
536 1 27 VAL H 1 108 LYS QE . . 4.360 3.946 2.645 4.378 0.018 19 0 "[ . 1 . 2]" 1
537 1 108 LYS HA 1 108 LYS QE . . 3.770 2.811 2.016 3.901 0.131 3 0 "[ . 1 . 2]" 1
538 1 107 ARG HG3 1 108 LYS QE . . 4.100 3.984 3.593 4.116 0.016 13 0 "[ . 1 . 2]" 1
539 1 108 LYS QE 1 108 LYS QG . . 2.830 2.495 2.272 2.840 0.010 18 0 "[ . 1 . 2]" 1
540 1 27 VAL MG1 1 108 LYS QE . . 4.110 3.785 2.835 4.131 0.021 13 0 "[ . 1 . 2]" 1
541 1 85 ARG HB2 1 85 ARG HD2 . . 4.260 3.423 3.097 3.729 . 0 0 "[ . 1 . 2]" 1
542 1 47 ILE HB 1 86 GLN HA . . 4.460 3.703 3.619 3.850 . 0 0 "[ . 1 . 2]" 1
543 1 25 ASP HB2 1 26 ASP H . . 4.340 3.844 3.201 4.329 . 0 0 "[ . 1 . 2]" 1
544 1 25 ASP HB3 1 26 ASP H . . 4.300 3.321 2.296 4.327 0.027 20 0 "[ . 1 . 2]" 1
545 1 25 ASP H 1 25 ASP HB3 . . 3.790 3.458 2.758 3.841 0.051 9 0 "[ . 1 . 2]" 1
546 1 25 ASP H 1 25 ASP HB2 . . 3.730 2.886 2.002 3.887 0.157 9 0 "[ . 1 . 2]" 1
547 1 102 ILE HB 1 114 ALA MB . . 4.050 2.385 2.258 2.552 . 0 0 "[ . 1 . 2]" 1
548 1 31 PRO HG2 1 102 ILE HB . . 4.300 2.279 2.082 2.418 . 0 0 "[ . 1 . 2]" 1
549 1 42 THR HA 1 92 LEU HB3 . . 4.390 4.000 3.675 4.254 . 0 0 "[ . 1 . 2]" 1
550 1 106 THR HB 1 107 ARG H . . 3.660 1.981 1.938 2.244 . 0 0 "[ . 1 . 2]" 1
551 1 106 THR HB 1 107 ARG HG2 . . 4.360 3.142 2.960 3.380 . 0 0 "[ . 1 . 2]" 1
552 1 106 THR HB 1 107 ARG HG3 . . 4.520 4.439 4.220 4.656 0.136 16 0 "[ . 1 . 2]" 1
553 1 63 ILE H 1 63 ILE HB . . 3.640 2.509 2.479 2.553 . 0 0 "[ . 1 . 2]" 1
554 1 63 ILE HB 1 78 GLU QB . . 4.010 3.813 3.522 4.027 0.017 20 0 "[ . 1 . 2]" 1
555 1 103 THR HB 1 110 TRP HZ3 . . 4.330 2.982 2.837 3.165 . 0 0 "[ . 1 . 2]" 1
556 1 68 ASN HB3 1 97 VAL QG . . 3.750 2.813 1.732 3.448 . 0 0 "[ . 1 . 2]" 1
557 1 68 ASN H 1 68 ASN HB3 . . 3.780 2.745 2.393 3.054 . 0 0 "[ . 1 . 2]" 1
558 1 68 ASN HB3 1 97 VAL HB . . 4.040 2.876 2.008 4.223 0.183 17 0 "[ . 1 . 2]" 1
559 1 68 ASN HB2 1 99 LEU HB2 . . 4.470 3.687 3.319 4.033 . 0 0 "[ . 1 . 2]" 1
560 1 68 ASN H 1 68 ASN HB2 . . 3.720 2.289 2.075 2.633 . 0 0 "[ . 1 . 2]" 1
561 1 68 ASN HB2 1 97 VAL HB . . 4.350 3.095 2.514 4.574 0.224 14 0 "[ . 1 . 2]" 1
562 1 103 THR HB 1 104 ALA H . . 3.780 3.604 3.490 3.768 . 0 0 "[ . 1 . 2]" 1
563 1 103 THR H 1 103 THR HB . . 3.730 3.001 2.944 3.049 . 0 0 "[ . 1 . 2]" 1
564 1 103 THR HB 1 110 TRP HE3 . . 3.500 2.345 2.142 2.484 . 0 0 "[ . 1 . 2]" 1
565 1 103 THR HB 1 110 TRP HB3 . . 4.340 3.786 3.604 3.944 . 0 0 "[ . 1 . 2]" 1
566 1 62 GLN HB3 1 103 THR HB . . 3.880 2.183 2.015 2.357 . 0 0 "[ . 1 . 2]" 1
567 1 103 THR HB 1 113 ALA MB . . 4.110 3.851 3.640 3.969 . 0 0 "[ . 1 . 2]" 1
568 1 90 THR HB 1 91 GLY H . . 3.260 2.855 2.565 3.272 0.012 3 0 "[ . 1 . 2]" 1
569 1 90 THR HB 1 91 GLY HA3 . . 4.480 4.369 4.303 4.462 . 0 0 "[ . 1 . 2]" 1
570 1 57 ILE H 1 57 ILE HB . . 3.460 2.179 2.134 2.529 . 0 0 "[ . 1 . 2]" 1
571 1 73 ASN QB 1 74 THR H . . 4.110 2.909 2.095 4.056 . 0 0 "[ . 1 . 2]" 1
572 1 72 ALA MB 1 73 ASN QB . . 4.450 4.000 3.198 4.473 0.023 5 0 "[ . 1 . 2]" 1
573 1 57 ILE HB 1 59 LEU QD . . 4.370 3.364 2.791 3.615 . 0 0 "[ . 1 . 2]" 1
574 1 64 THR HB 1 101 ARG HB2 . . 4.390 4.397 4.292 4.432 0.042 2 0 "[ . 1 . 2]" 1
575 1 64 THR HB 1 65 HIS H . . 3.610 3.416 2.676 3.629 0.019 4 0 "[ . 1 . 2]" 1
576 1 42 THR HB 1 91 GLY H . . 4.320 3.311 2.638 3.629 . 0 0 "[ . 1 . 2]" 1
577 1 42 THR HB 1 92 LEU H . . 3.740 2.409 1.944 3.459 . 0 0 "[ . 1 . 2]" 1
578 1 95 GLU HA 1 121 THR HB . . 4.430 3.340 3.070 3.742 . 0 0 "[ . 1 . 2]" 1
579 1 121 THR H 1 121 THR HB . . 3.960 3.589 3.519 3.636 . 0 0 "[ . 1 . 2]" 1
580 1 70 THR HB 1 71 THR H . . 3.790 3.487 2.145 3.985 0.195 15 0 "[ . 1 . 2]" 1
581 1 74 THR H 1 74 THR HB . . 3.940 3.517 2.849 3.977 0.037 15 0 "[ . 1 . 2]" 1
582 1 74 THR HB 1 75 ALA H . . 4.030 2.940 1.939 4.096 0.066 18 0 "[ . 1 . 2]" 1
583 1 23 THR HB 1 24 LEU H . . 3.570 2.689 2.155 4.053 0.483 20 0 "[ . 1 . 2]" 1
584 1 23 THR HA 1 23 THR HB . . 2.980 2.981 2.508 3.056 0.076 12 0 "[ . 1 . 2]" 1
585 1 115 GLU H 1 115 GLU HG3 . . 4.110 3.432 2.965 3.682 . 0 0 "[ . 1 . 2]" 1
586 1 115 GLU HA 1 115 GLU HG3 . . 4.070 2.802 2.367 2.905 . 0 0 "[ . 1 . 2]" 1
587 1 101 ARG HG2 1 115 GLU HG3 . . 4.090 3.544 3.323 3.701 . 0 0 "[ . 1 . 2]" 1
588 1 115 GLU HG2 1 116 ALA H . . 4.520 3.725 3.487 4.909 0.389 7 0 "[ . 1 . 2]" 1
589 1 101 ARG HG3 1 115 GLU HG2 . . 3.950 2.595 2.289 3.249 . 0 0 "[ . 1 . 2]" 1
590 1 71 THR HB 1 72 ALA H . . 4.140 3.593 2.016 4.213 0.073 8 0 "[ . 1 . 2]" 1
591 1 88 THR HB 1 89 ALA H . . 4.290 4.294 4.201 4.334 0.044 13 0 "[ . 1 . 2]" 1
592 1 88 THR H 1 88 THR HB . . 3.250 2.503 2.395 2.648 . 0 0 "[ . 1 . 2]" 1
593 1 88 THR HB 1 90 THR MG . . 4.200 3.770 3.446 4.161 . 0 0 "[ . 1 . 2]" 1
594 1 115 GLU H 1 115 GLU HG2 . . 4.150 4.157 4.101 4.262 0.112 17 0 "[ . 1 . 2]" 1
595 1 44 VAL HB 1 45 ARG H . . 3.660 2.481 2.275 2.611 . 0 0 "[ . 1 . 2]" 1
596 1 39 VAL QG 1 44 VAL HB . . 4.180 2.151 1.904 2.563 . 0 0 "[ . 1 . 2]" 1
597 1 44 VAL HB 1 100 PHE HZ . . 4.390 4.443 4.403 4.527 0.137 20 0 "[ . 1 . 2]" 1
598 1 44 VAL HB 1 89 ALA MB . . 4.270 4.320 4.281 4.361 0.091 19 0 "[ . 1 . 2]" 1
599 1 36 PHE QD 1 44 VAL HB . . 3.740 3.580 3.438 3.745 0.005 20 0 "[ . 1 . 2]" 1
600 1 39 VAL HA 1 44 VAL HB . . 4.460 2.309 2.202 2.448 . 0 0 "[ . 1 . 2]" 1
601 1 34 ILE H 1 34 ILE HB . . 3.140 2.646 2.609 2.679 . 0 0 "[ . 1 . 2]" 1
602 1 34 ILE HB 1 116 ALA MB . . 3.840 2.638 2.500 2.823 . 0 0 "[ . 1 . 2]" 1
603 1 41 THR H 1 41 THR HB . . 4.050 3.392 3.235 3.433 . 0 0 "[ . 1 . 2]" 1
604 1 41 THR HB 1 42 THR H . . 4.060 2.404 2.176 2.927 . 0 0 "[ . 1 . 2]" 1
605 1 41 THR HB 1 94 PRO HB2 . . 3.560 3.574 3.488 3.628 0.068 20 0 "[ . 1 . 2]" 1
606 1 41 THR HB 1 94 PRO HG2 . . 4.200 4.137 4.011 4.243 0.043 13 0 "[ . 1 . 2]" 1
607 1 41 THR HB 1 94 PRO HG3 . . 3.650 2.693 2.532 2.856 . 0 0 "[ . 1 . 2]" 1
608 1 41 THR HB 1 94 PRO HB3 . . 3.930 1.980 1.939 2.000 . 0 0 "[ . 1 . 2]" 1
609 1 122 GLU H 1 122 GLU QG . . 3.640 2.546 2.345 3.220 . 0 0 "[ . 1 . 2]" 1
610 1 41 THR H 1 122 GLU QG . . 4.290 3.855 3.202 3.925 . 0 0 "[ . 1 . 2]" 1
611 1 41 THR MG 1 122 GLU QG . . 3.860 2.305 2.050 2.808 . 0 0 "[ . 1 . 2]" 1
612 1 122 GLU HA 1 122 GLU QG . . 3.360 2.385 2.054 2.497 . 0 0 "[ . 1 . 2]" 1
613 1 112 GLU HG3 1 113 ALA H . . 3.650 2.949 2.581 3.357 . 0 0 "[ . 1 . 2]" 1
614 1 112 GLU H 1 112 GLU HG3 . . 3.970 3.767 3.485 3.963 . 0 0 "[ . 1 . 2]" 1
615 1 112 GLU HA 1 112 GLU HG3 . . 3.570 2.001 1.962 2.056 . 0 0 "[ . 1 . 2]" 1
616 1 30 PRO HD3 1 112 GLU HG3 . . 4.550 4.309 4.108 4.573 0.023 3 0 "[ . 1 . 2]" 1
617 1 30 PRO HD3 1 112 GLU HG2 . . 4.410 3.380 2.938 4.021 . 0 0 "[ . 1 . 2]" 1
618 1 112 GLU HG2 1 113 ALA H . . 3.550 3.066 2.260 3.463 . 0 0 "[ . 1 . 2]" 1
619 1 112 GLU HA 1 112 GLU HG2 . . 3.590 3.214 2.993 3.407 . 0 0 "[ . 1 . 2]" 1
620 1 38 GLU HA 1 38 GLU HG3 . . 3.620 2.677 2.594 2.763 . 0 0 "[ . 1 . 2]" 1
621 1 38 GLU HG3 1 39 VAL H . . 3.900 3.434 3.209 3.625 . 0 0 "[ . 1 . 2]" 1
622 1 38 GLU QB 1 38 GLU HG3 . . 2.770 2.372 2.353 2.402 . 0 0 "[ . 1 . 2]" 1
623 1 38 GLU HG2 1 39 VAL H . . 4.160 3.419 3.308 3.573 . 0 0 "[ . 1 . 2]" 1
624 1 38 GLU H 1 38 GLU HG2 . . 4.270 4.243 4.078 4.324 0.054 12 0 "[ . 1 . 2]" 1
625 1 38 GLU HA 1 38 GLU HG2 . . 3.710 3.156 3.044 3.336 . 0 0 "[ . 1 . 2]" 1
626 1 38 GLU QB 1 38 GLU HG2 . . 2.800 2.420 2.390 2.438 . 0 0 "[ . 1 . 2]" 1
627 1 38 GLU HG2 1 40 ARG QG . . 3.740 2.960 2.774 3.272 . 0 0 "[ . 1 . 2]" 1
628 1 21 GLU H 1 21 GLU HG3 . . 4.390 3.768 2.429 4.875 0.485 5 0 "[ . 1 . 2]" 1
629 1 21 GLU HA 1 21 GLU HG2 . . 4.270 3.001 2.001 3.919 . 0 0 "[ . 1 . 2]" 1
630 1 95 GLU HA 1 95 GLU QG . . 3.690 2.267 2.094 2.490 . 0 0 "[ . 1 . 2]" 1
631 1 78 GLU H 1 78 GLU QG . . 4.030 3.893 3.834 3.964 . 0 0 "[ . 1 . 2]" 1
632 1 78 GLU QG 1 79 VAL H . . 3.590 2.229 2.175 2.358 . 0 0 "[ . 1 . 2]" 1
633 1 78 GLU QG 1 87 TYR QD . . 4.530 3.535 3.320 3.841 . 0 0 "[ . 1 . 2]" 1
634 1 78 GLU QG 1 87 TYR QE . . 3.750 2.364 2.043 2.698 . 0 0 "[ . 1 . 2]" 1
635 1 78 GLU HA 1 78 GLU QG . . 3.460 2.602 2.567 2.634 . 0 0 "[ . 1 . 2]" 1
636 1 78 GLU QG 1 80 LEU MD2 . . 3.230 3.254 3.241 3.284 0.054 1 0 "[ . 1 . 2]" 1
637 1 63 ILE MG 1 78 GLU QG . . 4.450 3.795 3.328 4.176 . 0 0 "[ . 1 . 2]" 1
638 1 95 GLU H 1 95 GLU QG . . 4.200 2.755 2.390 3.092 . 0 0 "[ . 1 . 2]" 1
639 1 32 MET HB2 1 33 GLY H . . 3.700 2.525 2.385 2.574 . 0 0 "[ . 1 . 2]" 1
640 1 32 MET HB3 1 33 GLY H . . 3.830 3.810 3.687 3.845 0.015 8 0 "[ . 1 . 2]" 1
641 1 58 ILE H 1 58 ILE HB . . 3.400 2.488 2.435 2.539 . 0 0 "[ . 1 . 2]" 1
642 1 62 GLN HG2 1 63 ILE H . . 4.340 2.871 2.242 4.334 . 0 0 "[ . 1 . 2]" 1
643 1 62 GLN HG2 1 64 THR MG . . 3.870 2.214 1.972 2.716 . 0 0 "[ . 1 . 2]" 1
644 1 62 GLN HG3 1 77 VAL QG . . 3.310 2.133 1.897 2.886 . 0 0 "[ . 1 . 2]" 1
645 1 62 GLN HA 1 62 GLN HG3 . . 4.260 2.676 2.393 3.139 . 0 0 "[ . 1 . 2]" 1
646 1 62 GLN HG3 1 64 THR MG . . 3.910 3.164 2.231 3.602 . 0 0 "[ . 1 . 2]" 1
647 1 118 VAL HB 1 119 VAL H . . 4.270 4.279 4.203 4.348 0.078 12 0 "[ . 1 . 2]" 1
648 1 120 THR HB 1 121 THR H . . 4.070 3.765 3.562 3.971 . 0 0 "[ . 1 . 2]" 1
649 1 39 VAL H 1 39 VAL HB . . 3.530 3.026 2.674 3.632 0.102 12 0 "[ . 1 . 2]" 1
650 1 64 THR MG 1 77 VAL HB . . 4.160 2.979 1.882 4.158 . 0 0 "[ . 1 . 2]" 1
651 1 96 SER H 1 96 SER HB2 . . 4.100 2.982 2.580 3.942 . 0 0 "[ . 1 . 2]" 1
652 1 96 SER HB2 1 97 VAL H . . 4.290 3.331 1.875 3.958 . 0 0 "[ . 1 . 2]" 1
653 1 115 GLU QB 1 116 ALA H . . 3.630 3.415 3.261 3.547 . 0 0 "[ . 1 . 2]" 1
654 1 115 GLU H 1 115 GLU QB . . 3.420 2.209 2.168 2.423 . 0 0 "[ . 1 . 2]" 1
655 1 115 GLU QB 1 116 ALA HA . . 3.970 4.080 4.046 4.118 0.148 7 0 "[ . 1 . 2]" 1
656 1 115 GLU QB 1 115 GLU HG2 . . 2.790 2.453 2.183 2.513 . 0 0 "[ . 1 . 2]" 1
657 1 96 SER HB2 1 98 TYR QE . . 3.850 3.115 2.720 3.971 0.121 13 0 "[ . 1 . 2]" 1
658 1 96 SER HB2 1 120 THR HG1 . . 4.370 3.565 2.831 5.171 0.801 16 1 "[ . 1 .+ 2]" 1
659 1 96 SER H 1 96 SER HB3 . . 4.150 3.651 2.970 3.964 . 0 0 "[ . 1 . 2]" 1
660 1 96 SER HB3 1 98 TYR QE . . 3.930 3.518 2.479 3.953 0.023 16 0 "[ . 1 . 2]" 1
661 1 94 PRO HB2 1 95 GLU H . . 4.120 2.882 2.517 3.169 . 0 0 "[ . 1 . 2]" 1
662 1 94 PRO HB2 1 95 GLU QG . . 4.080 3.267 2.708 4.004 . 0 0 "[ . 1 . 2]" 1
663 1 94 PRO HB3 1 95 GLU H . . 4.430 3.489 3.306 3.650 . 0 0 "[ . 1 . 2]" 1
664 1 42 THR MG 1 94 PRO HB3 . . 4.280 3.247 2.897 3.349 . 0 0 "[ . 1 . 2]" 1
665 1 45 ARG H 1 45 ARG HB3 . . 4.080 2.941 2.851 3.041 . 0 0 "[ . 1 . 2]" 1
666 1 45 ARG HB2 1 45 ARG HD3 . . 4.260 3.966 3.096 4.081 . 0 0 "[ . 1 . 2]" 1
667 1 101 ARG H 1 101 ARG HB3 . . 4.130 2.868 2.806 2.920 . 0 0 "[ . 1 . 2]" 1
668 1 101 ARG HB3 1 102 ILE H . . 4.540 4.158 4.091 4.207 . 0 0 "[ . 1 . 2]" 1
669 1 101 ARG HB3 1 101 ARG HD2 . . 4.270 3.896 3.518 4.080 . 0 0 "[ . 1 . 2]" 1
670 1 101 ARG HB3 1 113 ALA MB . . 3.970 3.714 3.474 3.851 . 0 0 "[ . 1 . 2]" 1
671 1 49 GLN H 1 49 GLN QG . . 3.690 3.555 3.359 3.696 0.006 15 0 "[ . 1 . 2]" 1
672 1 48 TRP HA 1 49 GLN QG . . 4.390 4.050 3.730 4.277 . 0 0 "[ . 1 . 2]" 1
673 1 49 GLN HA 1 49 GLN QG . . 3.410 2.187 2.045 2.287 . 0 0 "[ . 1 . 2]" 1
674 1 49 GLN QG 1 50 PRO QD . . 3.520 2.465 2.252 2.735 . 0 0 "[ . 1 . 2]" 1
675 1 63 ILE H 1 78 GLU QB . . 4.510 3.625 3.295 3.873 . 0 0 "[ . 1 . 2]" 1
676 1 78 GLU QB 1 87 TYR QE . . 4.150 3.001 2.650 3.405 . 0 0 "[ . 1 . 2]" 1
677 1 78 GLU QB 1 80 LEU MD1 . . 4.220 4.002 3.816 4.152 . 0 0 "[ . 1 . 2]" 1
678 1 63 ILE MG 1 78 GLU QB . . 4.310 2.708 2.354 3.159 . 0 0 "[ . 1 . 2]" 1
679 1 78 GLU H 1 78 GLU QB . . 3.810 2.526 2.417 2.670 . 0 0 "[ . 1 . 2]" 1
680 1 93 LYS H 1 93 LYS QB . . 3.520 2.241 2.008 2.353 . 0 0 "[ . 1 . 2]" 1
681 1 93 LYS QB 1 93 LYS QE . . 4.490 2.156 1.990 3.026 . 0 0 "[ . 1 . 2]" 1
682 1 93 LYS QB 1 98 TYR QE . . 4.280 3.004 2.375 3.829 . 0 0 "[ . 1 . 2]" 1
683 1 92 LEU HA 1 93 LYS QB . . 4.360 4.052 4.024 4.085 . 0 0 "[ . 1 . 2]" 1
684 1 93 LYS QB 1 94 PRO HD3 . . 4.050 3.928 3.821 4.038 . 0 0 "[ . 1 . 2]" 1
685 1 93 LYS QB 1 96 SER HG . . 4.090 4.051 3.262 4.177 0.087 18 0 "[ . 1 . 2]" 1
686 1 66 ARG HB2 1 75 ALA MB . . 3.480 2.905 2.497 3.697 0.217 13 0 "[ . 1 . 2]" 1
687 1 43 SER QB 1 44 VAL H . . 3.600 3.291 2.710 3.701 0.101 11 0 "[ . 1 . 2]" 1
688 1 119 VAL H 1 119 VAL HB . . 3.460 2.161 2.131 2.240 . 0 0 "[ . 1 . 2]" 1
689 1 119 VAL HB 1 121 THR MG . . 3.950 3.612 3.296 3.876 . 0 0 "[ . 1 . 2]" 1
690 1 66 ARG HB3 1 75 ALA MB . . 4.330 1.949 1.764 2.592 . 0 0 "[ . 1 . 2]" 1
691 1 62 GLN HB2 1 110 TRP HH2 . . 4.360 2.550 2.429 2.678 . 0 0 "[ . 1 . 2]" 1
692 1 62 GLN HB3 1 79 VAL MG2 . . 4.310 4.336 4.045 4.457 0.147 16 0 "[ . 1 . 2]" 1
693 1 62 GLN HB3 1 110 TRP HH2 . . 4.240 3.864 3.710 4.058 . 0 0 "[ . 1 . 2]" 1
694 1 62 GLN HB2 1 79 VAL MG2 . . 4.440 2.852 2.585 2.992 . 0 0 "[ . 1 . 2]" 1
695 1 123 LYS H 1 123 LYS QB . . 3.300 2.278 2.053 2.714 . 0 0 "[ . 1 . 2]" 1
696 1 79 VAL HB 1 80 LEU H . . 4.460 4.440 4.286 4.481 0.021 7 0 "[ . 1 . 2]" 1
697 1 79 VAL H 1 79 VAL HB . . 3.280 2.140 2.094 2.181 . 0 0 "[ . 1 . 2]" 1
698 1 78 GLU HA 1 79 VAL HB . . 4.170 4.220 4.198 4.277 0.107 5 0 "[ . 1 . 2]" 1
699 1 38 GLU QB 1 39 VAL H . . 3.990 3.934 3.886 3.993 0.003 8 0 "[ . 1 . 2]" 1
700 1 38 GLU QB 1 45 ARG HE . . 4.530 3.884 2.021 4.555 0.025 10 0 "[ . 1 . 2]" 1
701 1 38 GLU QB 1 45 ARG HB2 . . 3.500 3.528 3.489 3.561 0.061 13 0 "[ . 1 . 2]" 1
702 1 47 ILE MG 1 86 GLN QB . . 3.510 1.799 1.740 2.342 . 0 0 "[ . 1 . 2]" 1
703 1 86 GLN QB 1 86 GLN HG3 . . 2.760 2.295 2.205 2.571 . 0 0 "[ . 1 . 2]" 1
704 1 37 PRO HB3 1 38 GLU H . . 4.550 4.044 4.008 4.172 . 0 0 "[ . 1 . 2]" 1
705 1 86 GLN HG2 1 87 TYR H . . 4.520 4.260 3.913 4.491 . 0 0 "[ . 1 . 2]" 1
706 1 105 GLN HG3 1 106 THR H . . 4.300 3.355 2.518 3.960 . 0 0 "[ . 1 . 2]" 1
707 1 28 PRO HB2 1 29 GLY H . . 4.300 2.536 2.117 2.981 . 0 0 "[ . 1 . 2]" 1
708 1 86 GLN H 1 86 GLN HG2 . . 3.970 2.562 2.066 4.214 0.244 15 0 "[ . 1 . 2]" 1
709 1 86 GLN HA 1 86 GLN HG2 . . 4.120 3.592 3.207 4.211 0.091 16 0 "[ . 1 . 2]" 1
710 1 47 ILE MG 1 86 GLN HG2 . . 4.050 3.828 1.882 4.140 0.090 17 0 "[ . 1 . 2]" 1
711 1 86 GLN H 1 86 GLN HG3 . . 4.080 3.587 2.344 3.981 . 0 0 "[ . 1 . 2]" 1
712 1 86 GLN HA 1 86 GLN HG3 . . 4.100 3.788 2.640 4.076 . 0 0 "[ . 1 . 2]" 1
713 1 51 PRO HB3 1 53 ALA H . . 4.280 3.965 3.932 4.019 . 0 0 "[ . 1 . 2]" 1
714 1 51 PRO HB2 1 52 ALA H . . 4.510 3.793 3.719 3.888 . 0 0 "[ . 1 . 2]" 1
715 1 32 MET QG 1 33 GLY H . . 3.780 3.790 3.764 3.816 0.036 6 0 "[ . 1 . 2]" 1
716 1 32 MET H 1 32 MET QG . . 3.330 1.921 1.872 1.978 . 0 0 "[ . 1 . 2]" 1
717 1 32 MET HA 1 32 MET QG . . 3.240 3.342 3.333 3.344 0.104 3 0 "[ . 1 . 2]" 1
718 1 32 MET QG 1 51 PRO HA . . 3.310 3.305 3.232 3.334 0.024 6 0 "[ . 1 . 2]" 1
719 1 31 PRO HA 1 32 MET QG . . 3.720 3.680 3.609 3.729 0.009 9 0 "[ . 1 . 2]" 1
720 1 32 MET QG 1 33 GLY HA3 . . 4.360 3.826 3.793 3.921 . 0 0 "[ . 1 . 2]" 1
721 1 32 MET QG 1 49 GLN HB2 . . 4.060 3.492 3.053 3.756 . 0 0 "[ . 1 . 2]" 1
722 1 32 MET ME 1 32 MET QG . . 3.290 2.166 2.096 2.209 . 0 0 "[ . 1 . 2]" 1
723 1 28 PRO HB2 1 54 PRO HA . . 4.310 3.306 3.139 3.429 . 0 0 "[ . 1 . 2]" 1
724 1 86 GLN HG3 1 87 TYR H . . 4.360 3.730 3.166 4.662 0.302 1 0 "[ . 1 . 2]" 1
725 1 51 PRO HB3 1 52 ALA H . . 4.270 4.074 4.019 4.146 . 0 0 "[ . 1 . 2]" 1
726 1 108 LYS HB2 1 108 LYS QE . . 4.280 3.157 1.870 3.511 . 0 0 "[ . 1 . 2]" 1
727 1 27 VAL MG1 1 108 LYS HB3 . . 4.070 2.399 1.904 2.830 . 0 0 "[ . 1 . 2]" 1
728 1 18 PRO HB2 1 19 ILE H . . 4.160 3.132 2.276 3.904 . 0 0 "[ . 1 . 2]" 1
729 1 18 PRO HB3 1 19 ILE H . . 4.200 3.659 3.206 4.158 . 0 0 "[ . 1 . 2]" 1
730 1 31 PRO HB3 1 34 ILE MD . . 4.370 4.139 3.988 4.269 . 0 0 "[ . 1 . 2]" 1
731 1 31 PRO HB2 1 114 ALA MB . . 4.250 3.150 3.101 3.209 . 0 0 "[ . 1 . 2]" 1
732 1 41 THR HA 1 94 PRO HA . . 4.000 3.235 2.940 3.402 . 0 0 "[ . 1 . 2]" 1
733 1 41 THR HA 1 120 THR HB . . 3.420 2.234 1.998 2.534 . 0 0 "[ . 1 . 2]" 1
734 1 41 THR HA 1 41 THR MG . . 3.140 2.143 1.998 2.315 . 0 0 "[ . 1 . 2]" 1
735 1 41 THR HA 1 121 THR H . . 3.790 3.207 2.980 3.391 . 0 0 "[ . 1 . 2]" 1
736 1 41 THR HA 1 120 THR HG1 . . 4.320 4.131 3.714 4.377 0.057 13 0 "[ . 1 . 2]" 1
737 1 41 THR HA 1 120 THR MG . . 3.930 3.618 3.402 3.923 . 0 0 "[ . 1 . 2]" 1
738 1 31 PRO HB3 1 32 MET H . . 4.240 4.240 4.187 4.271 0.031 13 0 "[ . 1 . 2]" 1
739 1 31 PRO HB3 1 114 ALA MB . . 4.220 4.098 4.073 4.138 . 0 0 "[ . 1 . 2]" 1
740 1 54 PRO HB2 1 56 GLY H . . 4.280 2.698 2.519 3.026 . 0 0 "[ . 1 . 2]" 1
741 1 54 PRO HB3 1 58 ILE MD . . 4.120 3.086 2.939 3.296 . 0 0 "[ . 1 . 2]" 1
742 1 31 PRO HB2 1 102 ILE HB . . 4.460 3.635 3.490 3.764 . 0 0 "[ . 1 . 2]" 1
743 1 51 PRO HG2 1 54 PRO HA . . 3.970 2.500 2.339 2.583 . 0 0 "[ . 1 . 2]" 1
744 1 29 GLY H 1 54 PRO HA . . 4.140 3.575 3.354 3.804 . 0 0 "[ . 1 . 2]" 1
745 1 28 PRO HB3 1 54 PRO HA . . 3.950 2.268 2.145 2.474 . 0 0 "[ . 1 . 2]" 1
746 1 51 PRO HB2 1 54 PRO HA . . 3.770 3.551 3.431 3.675 . 0 0 "[ . 1 . 2]" 1
747 1 112 GLU HB2 1 113 ALA H . . 4.040 4.014 3.884 4.089 0.049 1 0 "[ . 1 . 2]" 1
748 1 112 GLU H 1 112 GLU HB2 . . 3.500 2.033 2.019 2.059 . 0 0 "[ . 1 . 2]" 1
749 1 29 GLY HA2 1 112 GLU HB2 . . 4.080 2.385 2.200 2.704 . 0 0 "[ . 1 . 2]" 1
750 1 30 PRO HD3 1 112 GLU HB2 . . 3.930 2.433 2.268 2.543 . 0 0 "[ . 1 . 2]" 1
751 1 112 GLU HB3 1 113 ALA H . . 4.030 2.770 2.486 2.970 . 0 0 "[ . 1 . 2]" 1
752 1 112 GLU H 1 112 GLU HB3 . . 3.560 3.252 3.065 3.347 . 0 0 "[ . 1 . 2]" 1
753 1 29 GLY HA2 1 112 GLU HB3 . . 4.080 3.704 3.485 3.993 . 0 0 "[ . 1 . 2]" 1
754 1 61 TYR QD 1 82 PRO HA . . 3.410 2.205 2.088 2.288 . 0 0 "[ . 1 . 2]" 1
755 1 58 ILE MG 1 82 PRO HA . . 3.840 2.081 1.975 2.259 . 0 0 "[ . 1 . 2]" 1
756 1 124 ARG HB3 1 124 ARG QD . . 3.740 2.461 1.965 3.314 . 0 0 "[ . 1 . 2]" 1
757 1 28 PRO HA 1 29 GLY H . . 3.320 2.511 2.333 2.699 . 0 0 "[ . 1 . 2]" 1
758 1 28 PRO HA 1 55 ASN QB . . 3.830 3.634 3.268 4.092 0.262 12 0 "[ . 1 . 2]" 1
759 1 22 ARG H 1 22 ARG HB2 . . 4.120 3.009 2.314 3.608 . 0 0 "[ . 1 . 2]" 1
760 1 22 ARG HB2 1 22 ARG QD . . 3.740 2.588 1.980 3.307 . 0 0 "[ . 1 . 2]" 1
761 1 8 ARG HB2 1 8 ARG QG . . 2.630 2.383 2.181 2.572 . 0 0 "[ . 1 . 2]" 1
762 1 28 PRO HA 1 55 ASN HD21 . . 4.140 2.532 2.167 3.380 . 0 0 "[ . 1 . 2]" 1
763 1 28 PRO HA 1 55 ASN HD22 . . 4.290 3.513 1.902 4.233 . 0 0 "[ . 1 . 2]" 1
764 1 122 GLU H 1 122 GLU HB2 . . 3.540 2.440 2.277 2.608 . 0 0 "[ . 1 . 2]" 1
765 1 122 GLU H 1 122 GLU HB3 . . 3.470 3.599 3.499 3.649 0.179 8 0 "[ . 1 . 2]" 1
766 1 30 PRO HB3 1 114 ALA MB . . 3.930 3.884 3.824 3.931 0.001 12 0 "[ . 1 . 2]" 1
767 1 31 PRO HA 1 32 MET H . . 3.320 2.165 2.155 2.173 . 0 0 "[ . 1 . 2]" 1
768 1 76 THR HA 1 76 THR MG . . 3.250 2.469 2.335 2.574 . 0 0 "[ . 1 . 2]" 1
769 1 76 THR HA 1 77 VAL QG . . 3.910 3.611 3.312 3.865 . 0 0 "[ . 1 . 2]" 1
770 1 76 THR HA 1 77 VAL H . . 2.970 2.222 2.179 2.301 . 0 0 "[ . 1 . 2]" 1
771 1 27 VAL HB 1 28 PRO HD3 . . 4.280 3.026 3.001 3.061 . 0 0 "[ . 1 . 2]" 1
772 1 94 PRO HA 1 95 GLU H . . 3.300 2.370 2.269 2.516 . 0 0 "[ . 1 . 2]" 1
773 1 94 PRO HA 1 120 THR HG1 . . 3.460 2.011 1.962 2.137 . 0 0 "[ . 1 . 2]" 1
774 1 94 PRO HA 1 120 THR HB . . 3.760 2.216 1.999 2.487 . 0 0 "[ . 1 . 2]" 1
775 1 41 THR HB 1 94 PRO HA . . 3.940 3.870 3.606 3.997 0.057 3 0 "[ . 1 . 2]" 1
776 1 94 PRO HA 1 120 THR MG . . 4.140 3.547 3.347 3.707 . 0 0 "[ . 1 . 2]" 1
777 1 39 VAL HA 1 40 ARG H . . 3.020 2.186 2.182 2.204 . 0 0 "[ . 1 . 2]" 1
778 1 39 VAL HA 1 44 VAL HA . . 3.600 1.937 1.778 2.079 . 0 0 "[ . 1 . 2]" 1
779 1 39 VAL HA 1 40 ARG QG . . 4.390 3.357 3.201 3.558 . 0 0 "[ . 1 . 2]" 1
780 1 50 PRO HB2 1 51 PRO HD3 . . 4.220 3.728 3.665 3.777 . 0 0 "[ . 1 . 2]" 1
781 1 50 PRO HB2 1 61 TYR HH . . 4.350 4.015 3.738 4.356 0.006 12 0 "[ . 1 . 2]" 1
782 1 50 PRO HB2 1 51 PRO HD2 . . 4.000 2.762 2.681 2.825 . 0 0 "[ . 1 . 2]" 1
783 1 50 PRO HB3 1 61 TYR HH . . 4.610 2.717 2.206 3.371 . 0 0 "[ . 1 . 2]" 1
784 1 50 PRO HB3 1 51 PRO HD3 . . 4.560 3.595 3.546 3.634 . 0 0 "[ . 1 . 2]" 1
785 1 50 PRO HB3 1 51 PRO HD2 . . 4.200 3.096 3.054 3.130 . 0 0 "[ . 1 . 2]" 1
786 1 94 PRO HA 1 96 SER H . . 4.260 3.596 3.295 3.934 . 0 0 "[ . 1 . 2]" 1
787 1 18 PRO HA 1 19 ILE H . . 2.650 2.319 2.149 2.624 . 0 0 "[ . 1 . 2]" 1
788 1 49 GLN HB2 1 50 PRO QD . . 3.930 3.496 3.474 3.536 . 0 0 "[ . 1 . 2]" 1
789 1 51 PRO HA 1 53 ALA H . . 4.160 3.536 3.477 3.610 . 0 0 "[ . 1 . 2]" 1
790 1 32 MET ME 1 51 PRO HA . . 4.490 3.279 3.088 3.448 . 0 0 "[ . 1 . 2]" 1
791 1 51 PRO HA 1 52 ALA H . . 3.180 2.150 2.148 2.153 . 0 0 "[ . 1 . 2]" 1
792 1 32 MET H 1 51 PRO HA . . 4.260 3.783 3.650 3.877 . 0 0 "[ . 1 . 2]" 1
793 1 51 PRO HA 1 52 ALA MB . . 4.020 3.854 3.843 3.911 . 0 0 "[ . 1 . 2]" 1
794 1 93 LYS H 1 93 LYS QD . . 4.440 4.315 4.170 4.573 0.133 10 0 "[ . 1 . 2]" 1
795 1 93 LYS QD 1 96 SER HG . . 4.530 2.394 1.797 4.590 0.060 20 0 "[ . 1 . 2]" 1
796 1 93 LYS QD 1 94 PRO HD2 . . 4.170 4.032 3.830 4.263 0.093 11 0 "[ . 1 . 2]" 1
797 1 93 LYS QB 1 93 LYS QD . . 3.130 2.282 1.969 2.368 . 0 0 "[ . 1 . 2]" 1
798 1 93 LYS QD 1 93 LYS HG2 . . 2.700 2.237 2.180 2.568 . 0 0 "[ . 1 . 2]" 1
799 1 123 LYS QB 1 123 LYS QD . . 3.100 2.027 1.936 2.321 . 0 0 "[ . 1 . 2]" 1
800 1 123 LYS QD 1 123 LYS HG2 . . 2.760 2.368 2.182 2.571 . 0 0 "[ . 1 . 2]" 1
801 1 123 LYS HA 1 123 LYS QD . . 4.240 3.757 3.359 4.118 . 0 0 "[ . 1 . 2]" 1
802 1 97 VAL HA 1 119 VAL MG1 . . 3.830 3.840 3.726 3.904 0.074 20 0 "[ . 1 . 2]" 1
803 1 97 VAL HA 1 98 TYR H . . 3.090 2.227 2.192 2.314 . 0 0 "[ . 1 . 2]" 1
804 1 97 VAL HA 1 98 TYR HB2 . . 4.480 4.107 4.057 4.254 . 0 0 "[ . 1 . 2]" 1
805 1 97 VAL HA 1 119 VAL HB . . 4.580 4.613 4.586 4.687 0.107 14 0 "[ . 1 . 2]" 1
806 1 97 VAL HA 1 119 VAL MG2 . . 3.150 2.343 2.054 2.915 . 0 0 "[ . 1 . 2]" 1
807 1 74 THR HA 1 75 ALA H . . 3.080 2.596 2.230 2.832 . 0 0 "[ . 1 . 2]" 1
808 1 23 THR HA 1 23 THR MG . . 2.790 2.570 2.200 2.697 . 0 0 "[ . 1 . 2]" 1
809 1 107 ARG H 1 107 ARG HB3 . . 4.020 2.525 2.419 2.615 . 0 0 "[ . 1 . 2]" 1
810 1 59 LEU QD 1 107 ARG HB2 . . 4.110 3.932 3.683 4.003 . 0 0 "[ . 1 . 2]" 1
811 1 107 ARG HB2 1 107 ARG HD2 . . 3.940 2.741 2.351 3.370 . 0 0 "[ . 1 . 2]" 1
812 1 50 PRO HA 1 61 TYR QE . . 4.150 3.768 3.570 4.002 . 0 0 "[ . 1 . 2]" 1
813 1 50 PRO HA 1 51 PRO HD3 . . 3.420 1.979 1.969 1.994 . 0 0 "[ . 1 . 2]" 1
814 1 50 PRO HA 1 51 PRO HD2 . . 3.540 2.625 2.598 2.659 . 0 0 "[ . 1 . 2]" 1
815 1 17 PRO HA 1 18 PRO HD2 . . 2.850 2.681 2.506 2.940 0.090 5 0 "[ . 1 . 2]" 1
816 1 17 PRO HA 1 18 PRO HD3 . . 3.010 2.015 1.943 2.172 . 0 0 "[ . 1 . 2]" 1
817 1 97 VAL HA 1 120 THR H . . 4.160 3.622 3.281 3.961 . 0 0 "[ . 1 . 2]" 1
818 1 34 ILE HA 1 34 ILE HG13 . . 3.970 3.821 3.753 3.855 . 0 0 "[ . 1 . 2]" 1
819 1 34 ILE HA 1 35 LEU H . . 2.950 2.193 2.176 2.232 . 0 0 "[ . 1 . 2]" 1
820 1 70 THR HA 1 70 THR HB . . 3.000 2.686 2.344 2.878 . 0 0 "[ . 1 . 2]" 1
821 1 107 ARG H 1 107 ARG HB2 . . 4.040 3.569 3.547 3.583 . 0 0 "[ . 1 . 2]" 1
822 1 34 ILE HA 1 48 TRP HB2 . . 4.280 3.848 3.771 3.929 . 0 0 "[ . 1 . 2]" 1
823 1 34 ILE HA 1 34 ILE HG12 . . 3.840 3.370 3.309 3.445 . 0 0 "[ . 1 . 2]" 1
824 1 70 THR HA 1 71 THR H . . 3.580 2.896 2.558 3.621 0.041 14 0 "[ . 1 . 2]" 1
825 1 71 THR HA 1 72 ALA H . . 3.480 2.458 2.150 3.469 . 0 0 "[ . 1 . 2]" 1
826 1 71 THR HA 1 71 THR MG . . 2.930 2.541 2.256 3.199 0.269 12 0 "[ . 1 . 2]" 1
827 1 9 ILE HA 1 10 GLY H . . 3.530 2.454 2.176 3.612 0.082 11 0 "[ . 1 . 2]" 1
828 1 9 ILE HA 1 9 ILE MG . . 3.670 2.354 2.137 2.563 . 0 0 "[ . 1 . 2]" 1
829 1 34 ILE H 1 34 ILE HG12 . . 3.510 2.041 1.941 2.168 . 0 0 "[ . 1 . 2]" 1
830 1 34 ILE HG12 1 48 TRP HB2 . . 4.510 4.431 4.350 4.499 . 0 0 "[ . 1 . 2]" 1
831 1 34 ILE HG12 1 116 ALA MB . . 4.180 4.174 4.094 4.221 0.041 14 0 "[ . 1 . 2]" 1
832 1 34 ILE HG12 1 102 ILE MD . . 4.270 4.281 4.242 4.297 0.027 17 0 "[ . 1 . 2]" 1
833 1 34 ILE HG13 1 116 ALA MB . . 4.350 3.121 3.018 3.175 . 0 0 "[ . 1 . 2]" 1
834 1 99 LEU QD 1 101 ARG HG2 . . 4.440 4.292 4.237 4.487 0.047 17 0 "[ . 1 . 2]" 1
835 1 101 ARG HG2 1 115 GLU HG2 . . 4.250 4.073 3.836 4.415 0.165 7 0 "[ . 1 . 2]" 1
836 1 101 ARG HG3 1 113 ALA MB . . 3.780 2.697 2.301 2.919 . 0 0 "[ . 1 . 2]" 1
837 1 101 ARG H 1 101 ARG HG3 . . 4.920 4.340 4.300 4.376 . 0 0 "[ . 1 . 2]" 1
838 1 99 LEU QD 1 101 ARG HG3 . . 4.430 3.455 3.328 3.796 . 0 0 "[ . 1 . 2]" 1
839 1 46 LEU H 1 88 THR HA . . 4.070 3.994 3.722 4.101 0.031 5 0 "[ . 1 . 2]" 1
840 1 88 THR HA 1 89 ALA H . . 3.220 2.164 2.150 2.190 . 0 0 "[ . 1 . 2]" 1
841 1 19 ILE HA 1 20 LEU H . . 2.820 2.315 2.207 2.666 . 0 0 "[ . 1 . 2]" 1
842 1 19 ILE HA 1 19 ILE HG13 . . 3.890 2.810 2.212 3.770 . 0 0 "[ . 1 . 2]" 1
843 1 63 ILE HG13 1 102 ILE HG12 . . 4.080 2.096 1.999 2.242 . 0 0 "[ . 1 . 2]" 1
844 1 30 PRO HA 1 31 PRO HD3 . . 3.480 1.936 1.935 1.939 . 0 0 "[ . 1 . 2]" 1
845 1 30 PRO HA 1 31 PRO HD2 . . 3.570 2.423 2.388 2.480 . 0 0 "[ . 1 . 2]" 1
846 1 77 VAL HA 1 78 GLU H . . 3.300 2.303 2.193 2.418 . 0 0 "[ . 1 . 2]" 1
847 1 76 THR MG 1 77 VAL HA . . 4.330 4.172 4.023 4.324 . 0 0 "[ . 1 . 2]" 1
848 1 69 THR HA 1 69 THR MG . . 3.000 2.645 2.547 3.151 0.151 2 0 "[ . 1 . 2]" 1
849 1 80 LEU H 1 80 LEU HG . . 3.730 3.280 3.208 3.389 . 0 0 "[ . 1 . 2]" 1
850 1 79 VAL HA 1 80 LEU HG . . 4.290 4.210 4.074 4.272 . 0 0 "[ . 1 . 2]" 1
851 1 78 GLU QG 1 80 LEU HG . . 4.120 2.632 2.527 2.777 . 0 0 "[ . 1 . 2]" 1
852 1 63 ILE HA 1 63 ILE HG12 . . 3.850 2.915 2.802 2.963 . 0 0 "[ . 1 . 2]" 1
853 1 63 ILE HA 1 63 ILE HG13 . . 4.120 2.013 1.980 2.140 . 0 0 "[ . 1 . 2]" 1
854 1 63 ILE HG13 1 80 LEU MD1 . . 3.870 3.439 3.285 3.560 . 0 0 "[ . 1 . 2]" 1
855 1 63 ILE HG13 1 102 ILE MD . . 4.000 3.703 3.585 3.890 . 0 0 "[ . 1 . 2]" 1
856 1 63 ILE H 1 63 ILE HG13 . . 4.390 4.056 3.890 4.116 . 0 0 "[ . 1 . 2]" 1
857 1 26 ASP HA 1 108 LYS QD . . 3.930 3.854 3.505 3.938 0.008 9 0 "[ . 1 . 2]" 1
858 1 108 LYS HA 1 108 LYS QD . . 3.050 2.226 1.962 3.005 . 0 0 "[ . 1 . 2]" 1
859 1 108 LYS H 1 108 LYS QD . . 4.460 3.332 2.945 3.647 . 0 0 "[ . 1 . 2]" 1
860 1 121 THR HA 1 122 GLU H . . 2.990 2.512 2.473 2.600 . 0 0 "[ . 1 . 2]" 1
861 1 40 ARG H 1 40 ARG QG . . 3.730 2.127 1.882 2.786 . 0 0 "[ . 1 . 2]" 1
862 1 40 ARG QG 1 41 THR H . . 4.040 4.034 3.997 4.082 0.042 5 0 "[ . 1 . 2]" 1
863 1 40 ARG QG 1 44 VAL HA . . 4.420 2.902 2.549 3.408 . 0 0 "[ . 1 . 2]" 1
864 1 38 GLU HG3 1 40 ARG QG . . 3.900 3.369 3.142 3.565 . 0 0 "[ . 1 . 2]" 1
865 1 39 VAL QG 1 40 ARG QG . . 4.430 4.076 3.937 4.220 . 0 0 "[ . 1 . 2]" 1
866 1 45 ARG HG3 1 46 LEU H . . 4.200 4.116 3.952 4.220 0.020 14 0 "[ . 1 . 2]" 1
867 1 99 LEU HA 1 99 LEU HG . . 4.000 3.697 2.765 3.872 . 0 0 "[ . 1 . 2]" 1
868 1 102 ILE H 1 102 ILE HG12 . . 4.210 4.118 4.069 4.154 . 0 0 "[ . 1 . 2]" 1
869 1 102 ILE HG12 1 103 THR H . . 4.300 4.291 4.188 4.330 0.030 8 0 "[ . 1 . 2]" 1
870 1 102 ILE HA 1 102 ILE HG12 . . 3.960 2.739 2.680 2.778 . 0 0 "[ . 1 . 2]" 1
871 1 63 ILE HA 1 102 ILE HG12 . . 4.530 3.911 3.792 4.069 . 0 0 "[ . 1 . 2]" 1
872 1 102 ILE HG12 1 102 ILE MG . . 3.610 2.215 2.120 2.268 . 0 0 "[ . 1 . 2]" 1
873 1 45 ARG HG2 1 86 GLN QB . . 3.900 3.163 2.862 3.420 . 0 0 "[ . 1 . 2]" 1
874 1 31 PRO HG2 1 103 THR HA . . 4.410 3.988 3.838 4.159 . 0 0 "[ . 1 . 2]" 1
875 1 103 THR HA 1 104 ALA H . . 3.320 2.380 2.316 2.429 . 0 0 "[ . 1 . 2]" 1
876 1 103 THR HA 1 114 ALA H . . 4.300 3.885 3.821 4.024 . 0 0 "[ . 1 . 2]" 1
877 1 37 PRO HG2 1 47 ILE MG . . 3.140 2.592 2.367 2.701 . 0 0 "[ . 1 . 2]" 1
878 1 37 PRO HG2 1 38 GLU H . . 4.400 2.535 2.480 2.744 . 0 0 "[ . 1 . 2]" 1
879 1 37 PRO HG3 1 38 GLU H . . 3.800 3.892 3.858 4.022 0.222 15 0 "[ . 1 . 2]" 1
880 1 40 ARG QG 1 43 SER H . . 4.510 4.279 4.034 4.480 . 0 0 "[ . 1 . 2]" 1
881 1 45 ARG HG2 1 47 ILE MG . . 3.660 3.286 3.158 3.483 . 0 0 "[ . 1 . 2]" 1
882 1 46 LEU H 1 46 LEU MD2 . . 3.910 2.138 2.028 2.234 . 0 0 "[ . 1 . 2]" 1
883 1 36 PHE QD 1 46 LEU MD2 . . 4.040 4.060 4.040 4.072 0.032 1 0 "[ . 1 . 2]" 1
884 1 46 LEU MD2 1 100 PHE QE . . 3.620 2.655 2.428 3.388 . 0 0 "[ . 1 . 2]" 1
885 1 36 PHE QE 1 46 LEU MD2 . . 3.620 3.002 2.854 3.116 . 0 0 "[ . 1 . 2]" 1
886 1 46 LEU MD2 1 87 TYR HB2 . . 4.230 4.051 3.766 4.259 0.029 17 0 "[ . 1 . 2]" 1
887 1 46 LEU MD2 1 87 TYR HB3 . . 3.660 2.540 2.233 2.736 . 0 0 "[ . 1 . 2]" 1
888 1 46 LEU HB3 1 46 LEU MD2 . . 3.280 2.136 2.084 2.166 . 0 0 "[ . 1 . 2]" 1
889 1 46 LEU MD2 1 87 TYR QD . . 3.420 2.705 2.451 2.952 . 0 0 "[ . 1 . 2]" 1
890 1 45 ARG HA 1 46 LEU MD2 . . 4.170 3.681 3.583 3.815 . 0 0 "[ . 1 . 2]" 1
891 1 46 LEU MD2 1 100 PHE HB2 . . 4.470 3.939 3.398 4.184 . 0 0 "[ . 1 . 2]" 1
892 1 46 LEU HB2 1 46 LEU MD2 . . 3.410 3.175 3.155 3.183 . 0 0 "[ . 1 . 2]" 1
893 1 37 PRO HG3 1 47 ILE MG . . 3.120 2.323 2.150 2.392 . 0 0 "[ . 1 . 2]" 1
894 1 46 LEU MD2 1 48 TRP HE3 . . 4.000 3.382 3.191 3.529 . 0 0 "[ . 1 . 2]" 1
895 1 46 LEU HA 1 46 LEU MD2 . . 4.250 3.728 3.702 3.755 . 0 0 "[ . 1 . 2]" 1
896 1 46 LEU MD2 1 100 PHE QD . . 3.530 2.029 1.928 3.010 . 0 0 "[ . 1 . 2]" 1
897 1 120 THR HA 1 121 THR H . . 3.140 2.155 2.149 2.183 . 0 0 "[ . 1 . 2]" 1
898 1 119 VAL HA 1 120 THR HA . . 4.480 4.365 4.347 4.401 . 0 0 "[ . 1 . 2]" 1
899 1 57 ILE HA 1 58 ILE MD . . 4.620 4.187 3.889 4.413 . 0 0 "[ . 1 . 2]" 1
900 1 57 ILE HA 1 57 ILE HG12 . . 3.700 3.580 3.320 3.618 . 0 0 "[ . 1 . 2]" 1
901 1 57 ILE HA 1 58 ILE H . . 2.940 2.192 2.178 2.223 . 0 0 "[ . 1 . 2]" 1
902 1 57 ILE HA 1 57 ILE HG13 . . 3.690 2.707 2.520 3.581 . 0 0 "[ . 1 . 2]" 1
903 1 57 ILE HA 1 57 ILE MD . . 3.120 1.966 1.861 2.004 . 0 0 "[ . 1 . 2]" 1
904 1 60 ALA HA 1 82 PRO HG3 . . 4.480 3.632 3.480 3.747 . 0 0 "[ . 1 . 2]" 1
905 1 59 LEU HA 1 82 PRO HG2 . . 4.010 4.017 3.992 4.049 0.039 10 0 "[ . 1 . 2]" 1
906 1 28 PRO HG2 1 111 GLY H . . 4.550 3.279 3.047 3.631 . 0 0 "[ . 1 . 2]" 1
907 1 93 LYS HA 1 94 PRO HG3 . . 4.100 4.179 4.176 4.185 0.085 11 0 "[ . 1 . 2]" 1
908 1 57 ILE H 1 57 ILE HG12 . . 3.690 3.482 2.120 3.682 . 0 0 "[ . 1 . 2]" 1
909 1 58 ILE H 1 58 ILE HG13 . . 4.040 3.456 3.367 3.589 . 0 0 "[ . 1 . 2]" 1
910 1 58 ILE H 1 58 ILE HG12 . . 4.080 1.975 1.936 2.117 . 0 0 "[ . 1 . 2]" 1
911 1 58 ILE HA 1 59 LEU H . . 3.360 2.208 2.177 2.235 . 0 0 "[ . 1 . 2]" 1
912 1 58 ILE HA 1 60 ALA H . . 4.110 3.601 3.482 3.680 . 0 0 "[ . 1 . 2]" 1
913 1 58 ILE HA 1 106 THR HA . . 4.110 3.294 3.164 3.516 . 0 0 "[ . 1 . 2]" 1
914 1 58 ILE HA 1 58 ILE HG13 . . 4.060 3.753 3.692 3.829 . 0 0 "[ . 1 . 2]" 1
915 1 58 ILE HA 1 58 ILE HG12 . . 4.170 3.134 3.039 3.211 . 0 0 "[ . 1 . 2]" 1
916 1 57 ILE HA 1 58 ILE HG12 . . 4.310 3.618 3.340 3.818 . 0 0 "[ . 1 . 2]" 1
917 1 16 HIS HA 1 17 PRO QG . . 4.180 3.910 3.816 4.053 . 0 0 "[ . 1 . 2]" 1
918 1 19 ILE HA 1 19 ILE HG12 . . 4.120 2.959 2.492 3.594 . 0 0 "[ . 1 . 2]" 1
919 1 67 LEU HG 1 98 TYR QE . . 4.190 3.315 2.182 4.253 0.063 2 0 "[ . 1 . 2]" 1
920 1 67 LEU HA 1 67 LEU HG . . 3.920 3.175 2.830 3.668 . 0 0 "[ . 1 . 2]" 1
921 1 102 ILE HA 1 102 ILE HG13 . . 4.170 2.579 2.538 2.633 . 0 0 "[ . 1 . 2]" 1
922 1 40 ARG H 1 44 VAL HA . . 3.060 2.029 1.865 2.359 . 0 0 "[ . 1 . 2]" 1
923 1 118 VAL HA 1 119 VAL H . . 2.950 2.193 2.184 2.208 . 0 0 "[ . 1 . 2]" 1
924 1 118 VAL HA 1 119 VAL HB . . 4.270 4.293 4.263 4.365 0.095 14 0 "[ . 1 . 2]" 1
925 1 118 VAL HA 1 119 VAL MG2 . . 4.220 4.063 3.774 4.167 . 0 0 "[ . 1 . 2]" 1
926 1 54 PRO HG3 1 55 ASN H . . 4.350 4.100 4.060 4.157 . 0 0 "[ . 1 . 2]" 1
927 1 54 PRO HG2 1 55 ASN HA . . 4.450 4.464 4.428 4.502 0.052 12 0 "[ . 1 . 2]" 1
928 1 54 PRO HG2 1 55 ASN H . . 4.320 2.867 2.804 2.958 . 0 0 "[ . 1 . 2]" 1
929 1 53 ALA HA 1 54 PRO HG2 . . 4.530 4.433 4.424 4.442 . 0 0 "[ . 1 . 2]" 1
930 1 46 LEU HG 1 48 TRP HE3 . . 3.740 2.669 2.516 2.779 . 0 0 "[ . 1 . 2]" 1
931 1 46 LEU HG 1 48 TRP HZ3 . . 4.090 3.677 3.570 3.829 . 0 0 "[ . 1 . 2]" 1
932 1 124 ARG HA 1 124 ARG HG2 . . 3.900 2.615 1.995 3.731 . 0 0 "[ . 1 . 2]" 1
933 1 124 ARG HB3 1 124 ARG HG2 . . 2.700 2.634 2.271 3.022 0.322 9 0 "[ . 1 . 2]" 1
934 1 46 LEU H 1 46 LEU HG . . 4.470 3.450 3.296 3.582 . 0 0 "[ . 1 . 2]" 1
935 1 46 LEU HG 1 47 ILE H . . 4.240 2.842 2.680 2.997 . 0 0 "[ . 1 . 2]" 1
936 1 124 ARG HB2 1 124 ARG HG3 . . 3.020 2.522 2.267 3.047 0.027 16 0 "[ . 1 . 2]" 1
937 1 102 ILE HA 1 103 THR H . . 3.180 2.240 2.225 2.252 . 0 0 "[ . 1 . 2]" 1
938 1 63 ILE HG13 1 102 ILE HA . . 4.410 2.423 2.327 2.504 . 0 0 "[ . 1 . 2]" 1
939 1 117 LEU H 1 117 LEU HG . . 3.620 3.131 2.976 3.263 . 0 0 "[ . 1 . 2]" 1
940 1 116 ALA HA 1 117 LEU HG . . 4.360 4.357 4.163 4.413 0.053 16 0 "[ . 1 . 2]" 1
941 1 24 LEU H 1 24 LEU HG . . 5.150 4.017 2.099 4.913 . 0 0 "[ . 1 . 2]" 1
942 1 24 LEU HA 1 24 LEU HG . . 3.790 3.218 2.388 3.736 . 0 0 "[ . 1 . 2]" 1
943 1 27 VAL HA 1 106 THR HG1 . . 4.170 3.208 3.004 3.498 . 0 0 "[ . 1 . 2]" 1
944 1 27 VAL HA 1 28 PRO HD3 . . 3.600 2.048 2.032 2.077 . 0 0 "[ . 1 . 2]" 1
945 1 27 VAL HA 1 108 LYS HB2 . . 4.550 2.761 2.347 3.132 . 0 0 "[ . 1 . 2]" 1
946 1 27 VAL HA 1 106 THR MG . . 4.090 3.362 3.068 3.809 . 0 0 "[ . 1 . 2]" 1
947 1 27 VAL HA 1 27 VAL MG1 . . 3.370 2.174 2.095 2.307 . 0 0 "[ . 1 . 2]" 1
948 1 27 VAL HA 1 28 PRO HG3 . . 4.520 4.305 4.291 4.330 . 0 0 "[ . 1 . 2]" 1
949 1 80 LEU H 1 80 LEU MD1 . . 3.930 3.348 3.223 3.527 . 0 0 "[ . 1 . 2]" 1
950 1 63 ILE H 1 80 LEU MD1 . . 4.220 3.251 3.141 3.400 . 0 0 "[ . 1 . 2]" 1
951 1 80 LEU MD1 1 87 TYR QD . . 3.260 2.238 1.962 2.632 . 0 0 "[ . 1 . 2]" 1
952 1 80 LEU MD1 1 87 TYR QE . . 3.820 3.611 3.404 3.778 . 0 0 "[ . 1 . 2]" 1
953 1 48 TRP HH2 1 80 LEU MD1 . . 3.160 1.981 1.948 2.049 . 0 0 "[ . 1 . 2]" 1
954 1 48 TRP HZ2 1 80 LEU MD1 . . 3.440 2.735 2.581 2.877 . 0 0 "[ . 1 . 2]" 1
955 1 62 GLN HA 1 80 LEU MD1 . . 4.300 3.535 3.364 3.709 . 0 0 "[ . 1 . 2]" 1
956 1 80 LEU HA 1 80 LEU MD1 . . 3.940 3.804 3.787 3.818 . 0 0 "[ . 1 . 2]" 1
957 1 80 LEU MD1 1 87 TYR HA . . 4.130 3.999 3.756 4.145 0.015 4 0 "[ . 1 . 2]" 1
958 1 80 LEU MD1 1 87 TYR HB2 . . 3.600 2.162 1.910 2.339 . 0 0 "[ . 1 . 2]" 1
959 1 80 LEU MD1 1 87 TYR HB3 . . 3.730 3.233 3.040 3.494 . 0 0 "[ . 1 . 2]" 1
960 1 61 TYR HB3 1 80 LEU MD1 . . 3.890 3.310 3.220 3.448 . 0 0 "[ . 1 . 2]" 1
961 1 61 TYR HB2 1 80 LEU MD1 . . 3.910 3.489 3.339 3.635 . 0 0 "[ . 1 . 2]" 1
962 1 78 GLU QG 1 80 LEU MD1 . . 3.810 3.332 3.083 3.562 . 0 0 "[ . 1 . 2]" 1
963 1 80 LEU HB3 1 80 LEU MD1 . . 3.370 2.775 2.742 2.831 . 0 0 "[ . 1 . 2]" 1
964 1 80 LEU MD1 1 84 ALA MB . . 2.990 3.015 2.997 3.039 0.049 15 0 "[ . 1 . 2]" 1
965 1 80 LEU HB2 1 80 LEU MD1 . . 3.080 2.148 2.107 2.176 . 0 0 "[ . 1 . 2]" 1
966 1 57 ILE MG 1 59 LEU HG . . 4.230 3.833 3.591 4.248 0.018 7 0 "[ . 1 . 2]" 1
967 1 35 LEU H 1 35 LEU HG . . 4.390 3.795 3.066 4.432 0.042 8 0 "[ . 1 . 2]" 1
968 1 98 TYR H 1 119 VAL HA . . 4.040 3.222 3.033 3.547 . 0 0 "[ . 1 . 2]" 1
969 1 119 VAL HA 1 120 THR H . . 3.050 2.327 2.252 2.417 . 0 0 "[ . 1 . 2]" 1
970 1 97 VAL HA 1 119 VAL HA . . 3.420 2.020 1.830 2.247 . 0 0 "[ . 1 . 2]" 1
971 1 118 VAL HA 1 119 VAL HA . . 4.540 4.353 4.348 4.361 . 0 0 "[ . 1 . 2]" 1
972 1 97 VAL QG 1 119 VAL HA . . 3.820 3.044 2.761 3.492 . 0 0 "[ . 1 . 2]" 1
973 1 47 ILE HA 1 87 TYR H . . 4.280 3.623 3.492 3.737 . 0 0 "[ . 1 . 2]" 1
974 1 47 ILE HA 1 48 TRP H . . 3.220 2.327 2.192 2.556 . 0 0 "[ . 1 . 2]" 1
975 1 47 ILE HA 1 48 TRP HE3 . . 3.950 2.624 2.416 2.855 . 0 0 "[ . 1 . 2]" 1
976 1 47 ILE HA 1 86 GLN HA . . 3.440 2.114 2.015 2.230 . 0 0 "[ . 1 . 2]" 1
977 1 47 ILE HA 1 86 GLN QB . . 4.340 2.514 2.332 3.014 . 0 0 "[ . 1 . 2]" 1
978 1 46 LEU HG 1 47 ILE HA . . 4.500 3.367 3.322 3.415 . 0 0 "[ . 1 . 2]" 1
979 1 107 ARG HA 1 107 ARG HG2 . . 4.250 3.750 3.603 3.820 . 0 0 "[ . 1 . 2]" 1
980 1 107 ARG HG2 1 108 LYS QG . . 4.140 2.823 2.436 4.186 0.046 16 0 "[ . 1 . 2]" 1
981 1 107 ARG HG3 1 108 LYS QG . . 3.680 2.614 2.234 3.703 0.023 8 0 "[ . 1 . 2]" 1
982 1 107 ARG H 1 107 ARG HG3 . . 4.090 3.294 3.103 3.494 . 0 0 "[ . 1 . 2]" 1
983 1 35 LEU HA 1 35 LEU HG . . 4.130 3.340 2.974 3.753 . 0 0 "[ . 1 . 2]" 1
984 1 42 THR HA 1 92 LEU HB2 . . 3.600 2.449 2.132 2.743 . 0 0 "[ . 1 . 2]" 1
985 1 44 VAL QG 1 92 LEU HG . . 4.410 3.914 3.651 4.108 . 0 0 "[ . 1 . 2]" 1
986 1 47 ILE H 1 47 ILE HG12 . . 4.080 3.444 3.294 3.585 . 0 0 "[ . 1 . 2]" 1
987 1 35 LEU H 1 47 ILE HG12 . . 4.240 3.509 3.207 3.931 . 0 0 "[ . 1 . 2]" 1
988 1 47 ILE H 1 47 ILE HG13 . . 4.080 4.108 4.053 4.141 0.061 15 0 "[ . 1 . 2]" 1
989 1 37 PRO HD3 1 47 ILE HG13 . . 4.160 4.203 4.052 4.237 0.077 14 0 "[ . 1 . 2]" 1
990 1 37 PRO HG3 1 47 ILE HG13 . . 4.260 3.414 3.069 3.639 . 0 0 "[ . 1 . 2]" 1
991 1 35 LEU HB2 1 47 ILE HG13 . . 3.970 4.021 3.988 4.083 0.113 15 0 "[ . 1 . 2]" 1
992 1 92 LEU H 1 92 LEU QD . . 3.560 3.197 1.797 3.307 . 0 0 "[ . 1 . 2]" 1
993 1 43 SER H 1 92 LEU QD . . 4.200 3.328 2.898 3.642 . 0 0 "[ . 1 . 2]" 1
994 1 92 LEU HA 1 92 LEU QD . . 3.110 2.406 1.891 2.649 . 0 0 "[ . 1 . 2]" 1
995 1 43 SER QB 1 92 LEU QD . . 4.410 4.039 3.614 4.373 . 0 0 "[ . 1 . 2]" 1
996 1 64 THR HA 1 78 GLU H . . 4.450 3.525 3.277 3.787 . 0 0 "[ . 1 . 2]" 1
997 1 64 THR HA 1 65 HIS H . . 3.110 2.190 2.151 2.436 . 0 0 "[ . 1 . 2]" 1
998 1 64 THR HA 1 77 VAL HA . . 3.620 2.248 1.975 2.821 . 0 0 "[ . 1 . 2]" 1
999 1 64 THR HA 1 75 ALA MB . . 4.220 4.101 3.914 4.243 0.023 16 0 "[ . 1 . 2]" 1
1000 1 63 ILE HA 1 64 THR H . . 3.240 2.186 2.176 2.207 . 0 0 "[ . 1 . 2]" 1
1001 1 63 ILE HA 1 64 THR HA . . 4.520 4.391 4.382 4.412 . 0 0 "[ . 1 . 2]" 1
1002 1 63 ILE HA 1 102 ILE HA . . 3.720 2.714 2.634 2.798 . 0 0 "[ . 1 . 2]" 1
1003 1 91 GLY H 1 92 LEU QD . . 4.200 3.891 3.153 3.987 . 0 0 "[ . 1 . 2]" 1
1004 1 44 VAL H 1 92 LEU QD . . 3.870 2.589 2.199 2.829 . 0 0 "[ . 1 . 2]" 1
1005 1 92 LEU QD 1 98 TYR QE . . 3.980 2.304 1.898 3.652 . 0 0 "[ . 1 . 2]" 1
1006 1 92 LEU QD 1 98 TYR QD . . 3.850 2.762 2.354 3.763 . 0 0 "[ . 1 . 2]" 1
1007 1 92 LEU QD 1 100 PHE HZ . . 3.920 2.720 2.466 3.016 . 0 0 "[ . 1 . 2]" 1
1008 1 43 SER HA 1 92 LEU QD . . 3.650 2.361 1.964 2.915 . 0 0 "[ . 1 . 2]" 1
1009 1 42 THR HA 1 92 LEU QD . . 4.090 3.536 3.285 3.878 . 0 0 "[ . 1 . 2]" 1
1010 1 44 VAL HA 1 92 LEU QD . . 4.530 4.301 4.107 4.468 . 0 0 "[ . 1 . 2]" 1
1011 1 44 VAL HB 1 92 LEU QD . . 4.320 4.064 3.842 4.284 . 0 0 "[ . 1 . 2]" 1
1012 1 92 LEU HB2 1 92 LEU QD . . 2.820 2.113 1.972 2.213 . 0 0 "[ . 1 . 2]" 1
1013 1 107 ARG HA 1 107 ARG HG3 . . 3.850 3.749 3.671 3.940 0.090 8 0 "[ . 1 . 2]" 1
1014 1 99 LEU QD 1 100 PHE H . . 3.210 2.176 1.916 3.110 . 0 0 "[ . 1 . 2]" 1
1015 1 99 LEU QD 1 115 GLU HA . . 3.550 2.503 2.213 3.190 . 0 0 "[ . 1 . 2]" 1
1016 1 99 LEU QD 1 101 ARG HD3 . . 3.580 2.559 2.078 3.455 . 0 0 "[ . 1 . 2]" 1
1017 1 99 LEU QD 1 115 GLU HG3 . . 3.440 3.026 2.864 3.193 . 0 0 "[ . 1 . 2]" 1
1018 1 99 LEU QD 1 115 GLU HG2 . . 3.430 1.870 1.763 2.657 . 0 0 "[ . 1 . 2]" 1
1019 1 99 LEU QD 1 115 GLU QB . . 3.020 1.922 1.766 2.093 . 0 0 "[ . 1 . 2]" 1
1020 1 46 LEU MD1 1 47 ILE H . . 3.540 3.503 3.435 3.547 0.007 14 0 "[ . 1 . 2]" 1
1021 1 46 LEU MD1 1 100 PHE QD . . 3.970 2.877 2.559 3.054 . 0 0 "[ . 1 . 2]" 1
1022 1 46 LEU MD1 1 48 TRP HE3 . . 3.830 3.440 3.269 3.598 . 0 0 "[ . 1 . 2]" 1
1023 1 36 PHE HZ 1 46 LEU MD1 . . 3.720 2.543 2.237 2.826 . 0 0 "[ . 1 . 2]" 1
1024 1 36 PHE QE 1 46 LEU MD1 . . 3.420 2.784 2.600 3.002 . 0 0 "[ . 1 . 2]" 1
1025 1 36 PHE HA 1 46 LEU MD1 . . 4.340 4.378 4.352 4.432 0.092 15 0 "[ . 1 . 2]" 1
1026 1 34 ILE HA 1 46 LEU MD1 . . 4.360 3.695 3.464 3.851 . 0 0 "[ . 1 . 2]" 1
1027 1 46 LEU MD1 1 100 PHE HB2 . . 4.110 2.698 2.566 2.774 . 0 0 "[ . 1 . 2]" 1
1028 1 46 LEU MD1 1 100 PHE HB3 . . 4.080 2.327 2.143 2.723 . 0 0 "[ . 1 . 2]" 1
1029 1 46 LEU HB2 1 46 LEU MD1 . . 3.460 2.056 2.011 2.095 . 0 0 "[ . 1 . 2]" 1
1030 1 66 ARG HG2 1 75 ALA MB . . 4.500 3.639 2.313 4.330 . 0 0 "[ . 1 . 2]" 1
1031 1 66 ARG HG3 1 75 ALA MB . . 4.220 4.044 3.577 4.510 0.290 18 0 "[ . 1 . 2]" 1
1032 1 117 LEU H 1 117 LEU MD1 . . 3.750 3.126 2.872 3.418 . 0 0 "[ . 1 . 2]" 1
1033 1 68 ASN HD21 1 117 LEU MD1 . . 4.100 3.569 2.891 4.112 0.012 14 0 "[ . 1 . 2]" 1
1034 1 117 LEU HA 1 117 LEU MD1 . . 3.990 3.773 3.737 3.810 . 0 0 "[ . 1 . 2]" 1
1035 1 116 ALA HA 1 117 LEU MD1 . . 4.460 4.261 3.961 4.473 0.013 19 0 "[ . 1 . 2]" 1
1036 1 99 LEU QD 1 101 ARG H . . 4.060 2.995 2.695 3.664 . 0 0 "[ . 1 . 2]" 1
1037 1 99 LEU HA 1 99 LEU QD . . 2.950 2.050 1.945 2.906 . 0 0 "[ . 1 . 2]" 1
1038 1 36 PHE QD 1 46 LEU MD1 . . 3.910 3.697 3.584 3.844 . 0 0 "[ . 1 . 2]" 1
1039 1 35 LEU H 1 46 LEU MD1 . . 4.050 3.882 3.630 4.038 . 0 0 "[ . 1 . 2]" 1
1040 1 96 SER HA 1 96 SER HG . . 3.940 2.990 1.978 3.847 . 0 0 "[ . 1 . 2]" 1
1041 1 68 ASN HD22 1 117 LEU MD1 . . 4.040 3.128 2.250 4.006 . 0 0 "[ . 1 . 2]" 1
1042 1 99 LEU HA 1 117 LEU MD1 . . 4.300 4.208 3.972 4.332 0.032 20 0 "[ . 1 . 2]" 1
1043 1 67 LEU QD 1 93 LYS H . . 3.540 3.172 2.680 3.467 . 0 0 "[ . 1 . 2]" 1
1044 1 67 LEU QD 1 97 VAL H . . 3.940 2.371 2.142 2.675 . 0 0 "[ . 1 . 2]" 1
1045 1 67 LEU QD 1 69 THR H . . 4.430 3.225 2.908 3.588 . 0 0 "[ . 1 . 2]" 1
1046 1 67 LEU QD 1 98 TYR QE . . 3.580 2.159 1.968 2.376 . 0 0 "[ . 1 . 2]" 1
1047 1 67 LEU QD 1 96 SER HB2 . . 3.430 2.249 1.743 2.609 . 0 0 "[ . 1 . 2]" 1
1048 1 67 LEU QD 1 96 SER HB3 . . 3.160 1.905 1.726 2.732 . 0 0 "[ . 1 . 2]" 1
1049 1 67 LEU QD 1 93 LYS QB . . 3.560 2.260 1.905 2.643 . 0 0 "[ . 1 . 2]" 1
1050 1 67 LEU HB2 1 67 LEU QD . . 2.930 2.396 2.296 2.514 . 0 0 "[ . 1 . 2]" 1
1051 1 67 LEU QD 1 70 THR MG . . 3.360 2.318 1.621 3.176 . 0 0 "[ . 1 . 2]" 1
1052 1 61 TYR HA 1 105 GLN H . . 4.400 3.112 2.846 3.216 . 0 0 "[ . 1 . 2]" 1
1053 1 61 TYR HA 1 62 GLN H . . 3.430 2.552 2.493 2.583 . 0 0 "[ . 1 . 2]" 1
1054 1 61 TYR HA 1 61 TYR QD . . 4.000 3.122 3.095 3.153 . 0 0 "[ . 1 . 2]" 1
1055 1 61 TYR HA 1 104 ALA HA . . 3.520 1.991 1.971 2.065 . 0 0 "[ . 1 . 2]" 1
1056 1 108 LYS H 1 108 LYS QG . . 3.800 2.520 2.125 3.766 . 0 0 "[ . 1 . 2]" 1
1057 1 59 LEU QD 1 107 ARG H . . 3.820 3.000 2.758 3.184 . 0 0 "[ . 1 . 2]" 1
1058 1 59 LEU H 1 59 LEU QD . . 3.810 2.767 2.130 3.241 . 0 0 "[ . 1 . 2]" 1
1059 1 59 LEU QD 1 105 GLN HE21 . . 4.610 4.661 4.480 5.093 0.483 14 0 "[ . 1 . 2]" 1
1060 1 59 LEU QD 1 106 THR HA . . 3.910 2.419 1.927 2.805 . 0 0 "[ . 1 . 2]" 1
1061 1 59 LEU QD 1 106 THR HB . . 4.470 3.941 3.591 4.216 . 0 0 "[ . 1 . 2]" 1
1062 1 59 LEU QD 1 107 ARG HA . . 3.210 2.570 2.429 2.684 . 0 0 "[ . 1 . 2]" 1
1063 1 59 LEU QD 1 107 ARG HB3 . . 3.750 3.000 2.763 3.128 . 0 0 "[ . 1 . 2]" 1
1064 1 59 LEU QD 1 105 GLN HG2 . . 3.380 2.970 2.675 3.362 . 0 0 "[ . 1 . 2]" 1
1065 1 59 LEU HB2 1 59 LEU QD . . 2.970 2.138 1.945 2.254 . 0 0 "[ . 1 . 2]" 1
1066 1 26 ASP HA 1 108 LYS QG . . 3.630 2.300 2.082 2.683 . 0 0 "[ . 1 . 2]" 1
1067 1 27 VAL MG1 1 108 LYS QG . . 3.970 3.292 3.149 3.468 . 0 0 "[ . 1 . 2]" 1
1068 1 93 LYS HA 1 93 LYS HG3 . . 3.900 3.051 2.479 3.206 . 0 0 "[ . 1 . 2]" 1
1069 1 93 LYS QD 1 93 LYS HG3 . . 2.750 2.382 2.181 2.566 . 0 0 "[ . 1 . 2]" 1
1070 1 93 LYS HA 1 93 LYS HG2 . . 4.000 2.673 2.326 2.788 . 0 0 "[ . 1 . 2]" 1
1071 1 93 LYS H 1 93 LYS HG2 . . 4.350 4.277 4.221 4.375 0.025 10 0 "[ . 1 . 2]" 1
1072 1 93 LYS HG2 1 94 PRO HD3 . . 4.580 3.375 3.219 3.541 . 0 0 "[ . 1 . 2]" 1
1073 1 93 LYS HG2 1 94 PRO HD2 . . 4.130 2.162 1.967 2.541 . 0 0 "[ . 1 . 2]" 1
1074 1 93 LYS QE 1 93 LYS HG2 . . 3.900 3.258 2.163 3.492 . 0 0 "[ . 1 . 2]" 1
1075 1 123 LYS HA 1 123 LYS HG2 . . 3.920 2.830 1.932 4.012 0.092 9 0 "[ . 1 . 2]" 1
1076 1 123 LYS QE 1 123 LYS HG3 . . 3.920 2.635 1.992 3.399 . 0 0 "[ . 1 . 2]" 1
1077 1 123 LYS H 1 123 LYS HG3 . . 4.140 3.309 2.346 4.293 0.153 11 0 "[ . 1 . 2]" 1
1078 1 67 LEU QD 1 98 TYR QD . . 4.360 2.604 2.426 2.737 . 0 0 "[ . 1 . 2]" 1
1079 1 67 LEU QD 1 96 SER HA . . 3.960 3.664 3.390 3.787 . 0 0 "[ . 1 . 2]" 1
1080 1 67 LEU QD 1 97 VAL HA . . 4.510 4.000 3.698 4.306 . 0 0 "[ . 1 . 2]" 1
1081 1 67 LEU QD 1 93 LYS QD . . 3.270 2.378 1.937 2.708 . 0 0 "[ . 1 . 2]" 1
1082 1 67 LEU QD 1 68 ASN H . . 3.480 3.000 2.606 3.220 . 0 0 "[ . 1 . 2]" 1
1083 1 67 LEU QD 1 96 SER H . . 4.480 4.373 4.240 4.515 0.035 18 0 "[ . 1 . 2]" 1
1084 1 67 LEU HA 1 67 LEU QD . . 2.920 1.893 1.860 1.936 . 0 0 "[ . 1 . 2]" 1
1085 1 48 TRP HZ2 1 80 LEU MD2 . . 4.010 4.024 4.007 4.039 0.029 19 0 "[ . 1 . 2]" 1
1086 1 80 LEU MD2 1 87 TYR HB3 . . 4.030 4.037 3.983 4.087 0.057 15 0 "[ . 1 . 2]" 1
1087 1 92 LEU QD 1 120 THR MG . . 3.160 2.531 2.325 2.824 . 0 0 "[ . 1 . 2]" 1
1088 1 96 SER HB2 1 120 THR MG . . 4.440 4.239 3.632 5.239 0.799 13 1 "[ . 1 + . 2]" 1
1089 1 68 ASN HD22 1 117 LEU MD2 . . 3.740 2.945 2.391 3.739 . 0 0 "[ . 1 . 2]" 1
1090 1 98 TYR HA 1 117 LEU MD2 . . 4.100 3.755 3.430 4.002 . 0 0 "[ . 1 . 2]" 1
1091 1 68 ASN HB3 1 117 LEU MD2 . . 3.720 3.187 2.814 3.576 . 0 0 "[ . 1 . 2]" 1
1092 1 68 ASN HB2 1 117 LEU MD2 . . 3.630 2.129 1.825 2.547 . 0 0 "[ . 1 . 2]" 1
1093 1 97 VAL HB 1 117 LEU MD2 . . 4.020 3.448 3.137 4.024 0.004 14 0 "[ . 1 . 2]" 1
1094 1 117 LEU MD2 1 118 VAL H . . 3.530 3.346 3.143 3.614 0.084 16 0 "[ . 1 . 2]" 1
1095 1 99 LEU H 1 117 LEU MD2 . . 4.220 3.239 2.895 3.597 . 0 0 "[ . 1 . 2]" 1
1096 1 68 ASN H 1 117 LEU MD2 . . 4.100 3.651 3.404 3.982 . 0 0 "[ . 1 . 2]" 1
1097 1 68 ASN HD21 1 117 LEU MD2 . . 3.680 2.543 1.944 3.229 . 0 0 "[ . 1 . 2]" 1
1098 1 117 LEU HA 1 117 LEU MD2 . . 2.980 2.635 2.496 2.795 . 0 0 "[ . 1 . 2]" 1
1099 1 99 LEU HA 1 117 LEU MD2 . . 3.030 2.554 2.160 2.954 . 0 0 "[ . 1 . 2]" 1
1100 1 68 ASN HA 1 117 LEU MD2 . . 4.160 3.493 3.085 3.962 . 0 0 "[ . 1 . 2]" 1
1101 1 80 LEU MD2 1 87 TYR HB2 . . 3.930 2.460 2.411 2.509 . 0 0 "[ . 1 . 2]" 1
1102 1 80 LEU MD2 1 81 ALA H . . 3.490 2.986 2.938 3.060 . 0 0 "[ . 1 . 2]" 1
1103 1 80 LEU MD2 1 87 TYR QD . . 3.190 1.927 1.792 2.005 . 0 0 "[ . 1 . 2]" 1
1104 1 80 LEU MD2 1 87 TYR QE . . 3.480 3.360 3.058 3.485 0.005 14 0 "[ . 1 . 2]" 1
1105 1 48 TRP HH2 1 80 LEU MD2 . . 3.710 2.762 2.666 2.899 . 0 0 "[ . 1 . 2]" 1
1106 1 80 LEU MD2 1 87 TYR HA . . 4.020 3.164 2.967 3.326 . 0 0 "[ . 1 . 2]" 1
1107 1 63 ILE MD 1 80 LEU MD2 . . 3.550 3.312 3.220 3.404 . 0 0 "[ . 1 . 2]" 1
1108 1 120 THR H 1 120 THR MG . . 3.530 2.768 2.442 3.041 . 0 0 "[ . 1 . 2]" 1
1109 1 96 SER H 1 120 THR MG . . 4.060 3.985 3.450 4.123 0.063 7 0 "[ . 1 . 2]" 1
1110 1 98 TYR QE 1 120 THR MG . . 3.670 2.792 2.052 3.511 . 0 0 "[ . 1 . 2]" 1
1111 1 98 TYR QD 1 120 THR MG . . 3.920 2.306 1.908 3.023 . 0 0 "[ . 1 . 2]" 1
1112 1 120 THR HG1 1 120 THR MG . . 3.200 2.912 2.188 3.018 . 0 0 "[ . 1 . 2]" 1
1113 1 119 VAL HA 1 120 THR MG . . 3.750 3.653 3.408 3.788 0.038 18 0 "[ . 1 . 2]" 1
1114 1 42 THR HA 1 120 THR MG . . 4.140 3.685 3.286 4.136 . 0 0 "[ . 1 . 2]" 1
1115 1 120 THR HA 1 120 THR MG . . 3.130 2.281 2.185 2.435 . 0 0 "[ . 1 . 2]" 1
1116 1 43 SER H 1 120 THR MG . . 4.410 3.882 3.548 4.323 . 0 0 "[ . 1 . 2]" 1
1117 1 92 LEU HB3 1 120 THR MG . . 3.670 2.922 2.539 3.241 . 0 0 "[ . 1 . 2]" 1
1118 1 118 VAL MG1 1 120 THR MG . . 3.960 3.705 3.548 3.811 . 0 0 "[ . 1 . 2]" 1
1119 1 100 PHE HA 1 101 ARG H . . 3.050 2.197 2.193 2.203 . 0 0 "[ . 1 . 2]" 1
1120 1 100 PHE HA 1 100 PHE QD . . 4.100 3.063 2.282 3.146 . 0 0 "[ . 1 . 2]" 1
1121 1 65 HIS HB3 1 100 PHE HA . . 4.130 3.672 3.244 4.186 0.056 5 0 "[ . 1 . 2]" 1
1122 1 35 LEU H 1 48 TRP HA . . 4.450 3.799 3.698 3.934 . 0 0 "[ . 1 . 2]" 1
1123 1 43 SER HA 1 44 VAL H . . 3.270 2.272 2.215 2.407 . 0 0 "[ . 1 . 2]" 1
1124 1 13 SER HA 1 14 PRO HD2 . . 2.940 2.267 2.209 2.759 . 0 0 "[ . 1 . 2]" 1
1125 1 123 LYS HA 1 124 ARG H . . 3.130 2.383 2.177 2.964 . 0 0 "[ . 1 . 2]" 1
1126 1 123 LYS HA 1 123 LYS HG3 . . 3.200 2.750 2.172 3.523 0.323 9 0 "[ . 1 . 2]" 1
1127 1 35 LEU QD 1 36 PHE H . . 3.300 3.244 3.181 3.302 0.002 15 0 "[ . 1 . 2]" 1
1128 1 34 ILE H 1 35 LEU QD . . 4.370 3.490 2.697 4.171 . 0 0 "[ . 1 . 2]" 1
1129 1 35 LEU HA 1 35 LEU QD . . 2.800 2.004 1.934 2.131 . 0 0 "[ . 1 . 2]" 1
1130 1 35 LEU QD 1 36 PHE QD . . 4.410 4.252 4.048 4.366 . 0 0 "[ . 1 . 2]" 1
1131 1 21 GLU HA 1 22 ARG H . . 2.980 2.391 2.202 2.667 . 0 0 "[ . 1 . 2]" 1
1132 1 21 GLU HA 1 21 GLU HG3 . . 3.850 2.786 2.007 4.163 0.313 6 0 "[ . 1 . 2]" 1
1133 1 99 LEU QD 1 116 ALA H . . 3.580 2.333 2.034 3.273 . 0 0 "[ . 1 . 2]" 1
1134 1 99 LEU H 1 99 LEU QD . . 4.280 3.433 3.286 3.616 . 0 0 "[ . 1 . 2]" 1
1135 1 99 LEU QD 1 117 LEU H . . 4.240 3.604 3.393 3.886 . 0 0 "[ . 1 . 2]" 1
1136 1 99 LEU QD 1 116 ALA HA . . 3.920 3.552 3.323 3.901 . 0 0 "[ . 1 . 2]" 1
1137 1 99 LEU QD 1 117 LEU HG . . 3.010 2.078 1.950 2.224 . 0 0 "[ . 1 . 2]" 1
1138 1 100 PHE QD 1 116 ALA MB . . 4.360 4.186 3.329 4.330 . 0 0 "[ . 1 . 2]" 1
1139 1 36 PHE QD 1 116 ALA MB . . 4.050 3.818 3.672 3.962 . 0 0 "[ . 1 . 2]" 1
1140 1 115 GLU HA 1 116 ALA MB . . 3.890 3.875 3.848 3.899 0.009 6 0 "[ . 1 . 2]" 1
1141 1 100 PHE HB3 1 116 ALA MB . . 4.100 3.492 3.307 3.734 . 0 0 "[ . 1 . 2]" 1
1142 1 34 ILE MG 1 116 ALA MB . . 2.950 1.704 1.673 1.745 . 0 0 "[ . 1 . 2]" 1
1143 1 100 PHE H 1 116 ALA MB . . 4.460 3.562 3.344 3.671 . 0 0 "[ . 1 . 2]" 1
1144 1 116 ALA H 1 116 ALA MB . . 3.330 2.547 2.450 2.591 . 0 0 "[ . 1 . 2]" 1
1145 1 36 PHE HZ 1 116 ALA MB . . 3.140 2.326 2.041 2.552 . 0 0 "[ . 1 . 2]" 1
1146 1 36 PHE QE 1 116 ALA MB . . 2.950 2.004 1.886 2.157 . 0 0 "[ . 1 . 2]" 1
1147 1 100 PHE HB2 1 116 ALA MB . . 3.910 2.660 2.534 2.778 . 0 0 "[ . 1 . 2]" 1
1148 1 103 THR MG 1 104 ALA H . . 3.420 1.949 1.914 2.092 . 0 0 "[ . 1 . 2]" 1
1149 1 103 THR MG 1 111 GLY H . . 3.230 3.180 3.010 3.258 0.028 13 0 "[ . 1 . 2]" 1
1150 1 103 THR MG 1 112 GLU H . . 4.530 4.495 4.391 4.556 0.026 5 0 "[ . 1 . 2]" 1
1151 1 103 THR MG 1 110 TRP HE3 . . 3.160 2.110 1.939 2.265 . 0 0 "[ . 1 . 2]" 1
1152 1 103 THR MG 1 110 TRP HZ3 . . 4.260 3.827 3.588 4.035 . 0 0 "[ . 1 . 2]" 1
1153 1 103 THR HG1 1 103 THR MG . . 3.430 2.350 2.085 2.923 . 0 0 "[ . 1 . 2]" 1
1154 1 103 THR HA 1 103 THR MG . . 3.230 2.300 2.185 2.348 . 0 0 "[ . 1 . 2]" 1
1155 1 103 THR MG 1 111 GLY QA . . 3.990 3.849 3.751 3.925 . 0 0 "[ . 1 . 2]" 1
1156 1 103 THR MG 1 112 GLU HA . . 4.120 4.130 4.034 4.160 0.040 7 0 "[ . 1 . 2]" 1
1157 1 103 THR MG 1 110 TRP HB3 . . 3.460 2.031 1.956 2.169 . 0 0 "[ . 1 . 2]" 1
1158 1 103 THR MG 1 110 TRP HB2 . . 3.740 3.483 3.384 3.619 . 0 0 "[ . 1 . 2]" 1
1159 1 20 LEU HA 1 20 LEU MD2 . . 3.340 3.418 2.380 3.937 0.597 15 6 "[ . *1 * +* -*]" 1
1160 1 41 THR MG 1 121 THR H . . 4.300 3.556 3.379 3.808 . 0 0 "[ . 1 . 2]" 1
1161 1 41 THR MG 1 94 PRO HA . . 3.750 3.584 3.198 3.769 0.019 1 0 "[ . 1 . 2]" 1
1162 1 41 THR MG 1 122 GLU HA . . 4.360 4.154 3.616 4.382 0.022 20 0 "[ . 1 . 2]" 1
1163 1 112 GLU HA 1 113 ALA H . . 2.720 2.538 2.474 2.616 . 0 0 "[ . 1 . 2]" 1
1164 1 41 THR MG 1 95 GLU H . . 4.190 3.753 3.259 4.034 . 0 0 "[ . 1 . 2]" 1
1165 1 41 THR MG 1 122 GLU H . . 3.700 3.343 3.056 3.577 . 0 0 "[ . 1 . 2]" 1
1166 1 41 THR H 1 41 THR MG . . 3.080 2.729 2.588 3.167 0.087 3 0 "[ . 1 . 2]" 1
1167 1 41 THR MG 1 42 THR H . . 3.820 3.782 3.664 4.009 0.189 11 0 "[ . 1 . 2]" 1
1168 1 41 THR MG 1 120 THR HB . . 3.950 3.731 3.526 3.976 0.026 7 0 "[ . 1 . 2]" 1
1169 1 41 THR MG 1 121 THR HA . . 3.540 2.023 1.904 2.287 . 0 0 "[ . 1 . 2]" 1
1170 1 41 THR MG 1 121 THR HB . . 4.130 4.014 3.502 4.155 0.025 16 0 "[ . 1 . 2]" 1
1171 1 41 THR MG 1 94 PRO HB2 . . 3.330 2.730 2.236 2.956 . 0 0 "[ . 1 . 2]" 1
1172 1 41 THR MG 1 94 PRO HB3 . . 3.280 2.115 1.911 2.275 . 0 0 "[ . 1 . 2]" 1
1173 1 41 THR MG 1 94 PRO HG3 . . 3.370 3.388 3.306 3.415 0.045 8 0 "[ . 1 . 2]" 1
1174 1 38 GLU HA 1 39 VAL H . . 2.860 2.204 2.202 2.211 . 0 0 "[ . 1 . 2]" 1
1175 1 8 ARG HA 1 9 ILE H . . 3.020 2.324 2.226 2.524 . 0 0 "[ . 1 . 2]" 1
1176 1 8 ARG HA 1 8 ARG QG . . 3.530 2.525 1.965 3.456 . 0 0 "[ . 1 . 2]" 1
1177 1 8 ARG HA 1 9 ILE QG . . 4.360 3.886 3.377 4.142 . 0 0 "[ . 1 . 2]" 1
1178 1 108 LYS HA 1 108 LYS QG . . 3.380 2.877 2.046 3.084 . 0 0 "[ . 1 . 2]" 1
1179 1 95 GLU HA 1 120 THR HG1 . . 4.300 3.745 3.189 4.320 0.020 13 0 "[ . 1 . 2]" 1
1180 1 24 LEU H 1 24 LEU MD2 . . 3.970 3.463 2.089 4.568 0.598 19 1 "[ . 1 . +2]" 1
1181 1 24 LEU MD2 1 25 ASP H . . 3.950 3.651 2.680 4.536 0.586 14 1 "[ . 1 +. 2]" 1
1182 1 24 LEU HA 1 24 LEU MD2 . . 3.010 2.495 1.996 3.759 0.749 19 3 "[ . 1 . -+*]" 1
1183 1 24 LEU HB3 1 24 LEU MD2 . . 3.220 2.772 2.065 3.222 0.002 8 0 "[ . 1 . 2]" 1
1184 1 124 ARG HA 1 125 SER H . . 3.650 2.533 2.228 3.651 0.001 9 0 "[ . 1 . 2]" 1
1185 1 124 ARG HA 1 124 ARG HG3 . . 3.570 2.803 2.029 3.493 . 0 0 "[ . 1 . 2]" 1
1186 1 94 PRO HA 1 95 GLU HA . . 4.390 4.385 4.337 4.421 0.031 18 0 "[ . 1 . 2]" 1
1187 1 124 ARG HA 1 124 ARG QD . . 3.880 3.366 2.051 3.905 0.025 19 0 "[ . 1 . 2]" 1
1188 1 67 LEU HA 1 98 TYR HA . . 3.480 2.538 2.261 2.839 . 0 0 "[ . 1 . 2]" 1
1189 1 67 LEU HA 1 99 LEU H . . 4.000 3.908 3.497 4.082 0.082 11 0 "[ . 1 . 2]" 1
1190 1 67 LEU HA 1 68 ASN H . . 3.130 2.197 2.177 2.312 . 0 0 "[ . 1 . 2]" 1
1191 1 44 VAL H 1 44 VAL QG . . 3.440 2.284 2.090 2.457 . 0 0 "[ . 1 . 2]" 1
1192 1 43 SER H 1 44 VAL QG . . 4.030 2.971 2.652 3.212 . 0 0 "[ . 1 . 2]" 1
1193 1 44 VAL QG 1 100 PHE QE . . 3.340 2.488 1.854 2.595 . 0 0 "[ . 1 . 2]" 1
1194 1 44 VAL HA 1 44 VAL QG . . 3.260 2.428 2.366 2.469 . 0 0 "[ . 1 . 2]" 1
1195 1 39 VAL HA 1 44 VAL QG . . 3.330 2.771 2.534 2.937 . 0 0 "[ . 1 . 2]" 1
1196 1 39 VAL QG 1 44 VAL QG . . 2.950 2.001 1.853 2.182 . 0 0 "[ . 1 . 2]" 1
1197 1 44 VAL QG 1 118 VAL MG1 . . 3.020 2.477 2.265 2.617 . 0 0 "[ . 1 . 2]" 1
1198 1 44 VAL QG 1 118 VAL MG2 . . 3.200 2.796 2.672 2.914 . 0 0 "[ . 1 . 2]" 1
1199 1 44 VAL QG 1 92 LEU QD . . 2.990 1.808 1.658 1.960 . 0 0 "[ . 1 . 2]" 1
1200 1 104 ALA H 1 104 ALA MB . . 3.290 2.316 2.195 2.442 . 0 0 "[ . 1 . 2]" 1
1201 1 104 ALA MB 1 105 GLN H . . 3.360 2.654 2.520 2.995 . 0 0 "[ . 1 . 2]" 1
1202 1 60 ALA H 1 104 ALA MB . . 4.210 4.248 4.221 4.276 0.066 13 0 "[ . 1 . 2]" 1
1203 1 61 TYR QD 1 104 ALA MB . . 3.520 3.283 3.164 3.419 . 0 0 "[ . 1 . 2]" 1
1204 1 61 TYR QE 1 104 ALA MB . . 3.330 2.603 2.359 2.839 . 0 0 "[ . 1 . 2]" 1
1205 1 104 ALA MB 1 110 TRP HZ3 . . 4.490 4.433 4.340 4.499 0.009 18 0 "[ . 1 . 2]" 1
1206 1 61 TYR HA 1 104 ALA MB . . 3.870 3.705 3.664 3.750 . 0 0 "[ . 1 . 2]" 1
1207 1 103 THR HA 1 104 ALA MB . . 4.040 3.821 3.754 3.873 . 0 0 "[ . 1 . 2]" 1
1208 1 28 PRO HD3 1 104 ALA MB . . 4.140 4.138 4.047 4.194 0.054 17 0 "[ . 1 . 2]" 1
1209 1 28 PRO HD2 1 104 ALA MB . . 4.000 3.796 3.669 3.875 . 0 0 "[ . 1 . 2]" 1
1210 1 28 PRO HB3 1 104 ALA MB . . 3.730 3.768 3.744 3.802 0.072 12 0 "[ . 1 . 2]" 1
1211 1 28 PRO HB2 1 104 ALA MB . . 3.580 3.135 2.968 3.304 . 0 0 "[ . 1 . 2]" 1
1212 1 28 PRO HG2 1 104 ALA MB . . 3.400 1.954 1.905 1.984 . 0 0 "[ . 1 . 2]" 1
1213 1 28 PRO HG3 1 104 ALA MB . . 3.060 2.535 2.416 2.633 . 0 0 "[ . 1 . 2]" 1
1214 1 58 ILE MD 1 104 ALA MB . . 2.850 1.962 1.866 2.096 . 0 0 "[ . 1 . 2]" 1
1215 1 39 VAL QG 1 44 VAL HA . . 4.000 3.217 3.071 3.433 . 0 0 "[ . 1 . 2]" 1
1216 1 36 PHE HB3 1 39 VAL QG . . 3.170 1.873 1.749 2.128 . 0 0 "[ . 1 . 2]" 1
1217 1 39 VAL QG 1 118 VAL MG1 . . 3.830 3.064 2.837 3.309 . 0 0 "[ . 1 . 2]" 1
1218 1 97 VAL H 1 97 VAL QG . . 3.040 2.517 1.880 2.930 . 0 0 "[ . 1 . 2]" 1
1219 1 97 VAL QG 1 117 LEU HB3 . . 3.400 2.277 2.160 2.313 . 0 0 "[ . 1 . 2]" 1
1220 1 118 VAL H 1 118 VAL MG2 . . 4.170 3.908 3.818 3.931 . 0 0 "[ . 1 . 2]" 1
1221 1 45 ARG HA 1 87 TYR H . . 4.480 4.391 4.191 4.483 0.003 4 0 "[ . 1 . 2]" 1
1222 1 45 ARG HA 1 46 LEU H . . 3.230 2.234 2.225 2.245 . 0 0 "[ . 1 . 2]" 1
1223 1 45 ARG HA 1 88 THR HA . . 3.500 2.373 2.182 2.535 . 0 0 "[ . 1 . 2]" 1
1224 1 45 ARG HA 1 45 ARG HG3 . . 3.750 2.909 2.792 3.144 . 0 0 "[ . 1 . 2]" 1
1225 1 45 ARG HA 1 45 ARG HG2 . . 4.110 2.727 2.600 2.792 . 0 0 "[ . 1 . 2]" 1
1226 1 24 LEU HA 1 25 ASP H . . 2.960 2.398 2.176 2.888 . 0 0 "[ . 1 . 2]" 1
1227 1 24 LEU HA 1 24 LEU MD1 . . 4.160 2.774 1.970 3.929 . 0 0 "[ . 1 . 2]" 1
1228 1 59 LEU H 1 60 ALA MB . . 4.380 4.230 4.162 4.333 . 0 0 "[ . 1 . 2]" 1
1229 1 39 VAL H 1 39 VAL QG . . 3.440 2.682 2.090 2.996 . 0 0 "[ . 1 . 2]" 1
1230 1 36 PHE QD 1 39 VAL QG . . 3.560 2.457 1.866 3.263 . 0 0 "[ . 1 . 2]" 1
1231 1 39 VAL HA 1 39 VAL QG . . 3.100 2.262 2.108 2.569 . 0 0 "[ . 1 . 2]" 1
1232 1 39 VAL QG 1 120 THR HA . . 2.980 2.803 2.504 3.027 0.047 20 0 "[ . 1 . 2]" 1
1233 1 39 VAL QG 1 118 VAL MG2 . . 2.860 1.643 1.547 1.768 . 0 0 "[ . 1 . 2]" 1
1234 1 97 VAL QG 1 118 VAL H . . 3.870 2.926 2.621 3.461 . 0 0 "[ . 1 . 2]" 1
1235 1 68 ASN H 1 97 VAL QG . . 4.390 3.393 2.006 3.944 . 0 0 "[ . 1 . 2]" 1
1236 1 68 ASN HD21 1 97 VAL QG . . 3.850 2.674 1.935 3.587 . 0 0 "[ . 1 . 2]" 1
1237 1 97 VAL QG 1 117 LEU HA . . 4.050 3.596 3.422 3.775 . 0 0 "[ . 1 . 2]" 1
1238 1 97 VAL QG 1 98 TYR HA . . 4.520 3.761 3.122 4.033 . 0 0 "[ . 1 . 2]" 1
1239 1 97 VAL HA 1 97 VAL QG . . 3.170 2.230 2.081 2.624 . 0 0 "[ . 1 . 2]" 1
1240 1 68 ASN HB2 1 97 VAL QG . . 3.320 2.487 1.772 3.073 . 0 0 "[ . 1 . 2]" 1
1241 1 97 VAL QG 1 117 LEU HB2 . . 3.580 3.618 3.555 3.719 0.139 18 0 "[ . 1 . 2]" 1
1242 1 45 ARG H 1 118 VAL MG2 . . 4.400 4.447 4.414 4.488 0.088 11 0 "[ . 1 . 2]" 1
1243 1 118 VAL MG2 1 119 VAL H . . 3.100 2.682 2.600 2.824 . 0 0 "[ . 1 . 2]" 1
1244 1 36 PHE QD 1 118 VAL MG2 . . 3.600 2.443 2.335 2.540 . 0 0 "[ . 1 . 2]" 1
1245 1 36 PHE HZ 1 118 VAL MG2 . . 4.320 4.216 4.130 4.303 . 0 0 "[ . 1 . 2]" 1
1246 1 36 PHE QE 1 118 VAL MG2 . . 3.950 3.076 2.908 3.216 . 0 0 "[ . 1 . 2]" 1
1247 1 118 VAL MG2 1 119 VAL HA . . 4.420 4.040 3.919 4.190 . 0 0 "[ . 1 . 2]" 1
1248 1 118 VAL HA 1 118 VAL MG2 . . 3.050 2.449 2.371 2.512 . 0 0 "[ . 1 . 2]" 1
1249 1 118 VAL MG2 1 120 THR HA . . 4.290 4.149 3.977 4.306 0.016 13 0 "[ . 1 . 2]" 1
1250 1 36 PHE HB2 1 118 VAL MG2 . . 3.980 3.245 2.824 3.543 . 0 0 "[ . 1 . 2]" 1
1251 1 36 PHE HB3 1 118 VAL MG2 . . 3.900 2.728 2.413 2.973 . 0 0 "[ . 1 . 2]" 1
1252 1 44 VAL HB 1 118 VAL MG2 . . 4.030 2.984 2.914 3.093 . 0 0 "[ . 1 . 2]" 1
1253 1 118 VAL MG2 1 119 VAL HB . . 4.260 4.244 4.133 4.305 0.045 16 0 "[ . 1 . 2]" 1
1254 1 20 LEU HA 1 21 GLU H . . 3.040 2.527 2.181 3.479 0.439 15 0 "[ . 1 . 2]" 1
1255 1 20 LEU HA 1 20 LEU HG . . 3.380 2.505 2.093 3.510 0.130 6 0 "[ . 1 . 2]" 1
1256 1 60 ALA MB 1 80 LEU H . . 3.840 3.549 3.404 3.665 . 0 0 "[ . 1 . 2]" 1
1257 1 60 ALA MB 1 61 TYR H . . 2.920 2.050 1.913 2.144 . 0 0 "[ . 1 . 2]" 1
1258 1 60 ALA MB 1 105 GLN H . . 4.050 4.045 3.881 4.093 0.043 3 0 "[ . 1 . 2]" 1
1259 1 60 ALA H 1 60 ALA MB . . 3.290 2.915 2.896 2.944 . 0 0 "[ . 1 . 2]" 1
1260 1 60 ALA MB 1 61 TYR QD . . 4.450 4.061 3.940 4.180 . 0 0 "[ . 1 . 2]" 1
1261 1 60 ALA MB 1 110 TRP HH2 . . 3.170 3.122 3.049 3.187 0.017 19 0 "[ . 1 . 2]" 1
1262 1 60 ALA MB 1 61 TYR HA . . 4.240 3.844 3.800 3.890 . 0 0 "[ . 1 . 2]" 1
1263 1 60 ALA MB 1 81 ALA HA . . 4.120 2.356 2.280 2.392 . 0 0 "[ . 1 . 2]" 1
1264 1 60 ALA MB 1 82 PRO HD2 . . 4.450 4.213 4.149 4.274 . 0 0 "[ . 1 . 2]" 1
1265 1 60 ALA MB 1 82 PRO HD3 . . 4.160 2.760 2.684 2.823 . 0 0 "[ . 1 . 2]" 1
1266 1 60 ALA MB 1 79 VAL MG1 . . 2.690 2.423 2.301 2.540 . 0 0 "[ . 1 . 2]" 1
1267 1 60 ALA MB 1 105 GLN HB3 . . 3.220 2.709 2.525 2.931 . 0 0 "[ . 1 . 2]" 1
1268 1 58 ILE MG 1 60 ALA MB . . 4.180 4.063 4.029 4.156 . 0 0 "[ . 1 . 2]" 1
1269 1 60 ALA MB 1 105 GLN HB2 . . 3.610 3.580 3.344 3.658 0.048 12 0 "[ . 1 . 2]" 1
1270 1 38 GLU H 1 39 VAL QG . . 4.000 3.517 3.358 3.694 . 0 0 "[ . 1 . 2]" 1
1271 1 36 PHE HA 1 39 VAL QG . . 3.940 3.483 3.213 3.863 . 0 0 "[ . 1 . 2]" 1
1272 1 38 GLU HA 1 39 VAL QG . . 3.830 3.603 3.288 3.811 . 0 0 "[ . 1 . 2]" 1
1273 1 36 PHE HB2 1 39 VAL QG . . 3.290 3.064 2.966 3.171 . 0 0 "[ . 1 . 2]" 1
1274 1 39 VAL QG 1 45 ARG H . . 3.650 2.835 2.352 3.591 . 0 0 "[ . 1 . 2]" 1
1275 1 27 VAL MG1 1 110 TRP H . . 3.960 3.039 2.716 3.446 . 0 0 "[ . 1 . 2]" 1
1276 1 27 VAL MG1 1 106 THR HG1 . . 4.270 2.999 2.735 3.449 . 0 0 "[ . 1 . 2]" 1
1277 1 59 LEU HA 1 60 ALA MB . . 4.390 4.178 4.140 4.202 . 0 0 "[ . 1 . 2]" 1
1278 1 67 LEU H 1 70 THR MG . . 4.300 3.575 2.754 4.343 0.043 15 0 "[ . 1 . 2]" 1
1279 1 70 THR H 1 70 THR MG . . 3.810 3.266 2.275 3.827 0.017 13 0 "[ . 1 . 2]" 1
1280 1 69 THR H 1 70 THR MG . . 4.220 3.811 2.831 4.293 0.073 12 0 "[ . 1 . 2]" 1
1281 1 70 THR HA 1 70 THR MG . . 2.980 2.971 2.112 3.234 0.254 10 0 "[ . 1 . 2]" 1
1282 1 71 THR H 1 71 THR MG . . 3.390 2.761 1.950 3.503 0.113 12 0 "[ . 1 . 2]" 1
1283 1 79 VAL MG1 1 80 LEU H . . 3.230 2.621 2.214 2.798 . 0 0 "[ . 1 . 2]" 1
1284 1 79 VAL H 1 79 VAL MG1 . . 3.700 3.482 3.455 3.529 . 0 0 "[ . 1 . 2]" 1
1285 1 61 TYR H 1 79 VAL MG1 . . 3.990 3.204 2.981 3.358 . 0 0 "[ . 1 . 2]" 1
1286 1 79 VAL MG1 1 110 TRP HZ2 . . 3.780 3.594 3.451 3.765 . 0 0 "[ . 1 . 2]" 1
1287 1 79 VAL MG1 1 110 TRP HH2 . . 3.380 3.236 2.931 3.389 0.009 12 0 "[ . 1 . 2]" 1
1288 1 79 VAL HA 1 79 VAL MG1 . . 3.100 2.683 2.659 2.707 . 0 0 "[ . 1 . 2]" 1
1289 1 27 VAL H 1 27 VAL MG1 . . 3.350 2.361 2.143 2.836 . 0 0 "[ . 1 . 2]" 1
1290 1 27 VAL MG1 1 108 LYS H . . 4.210 3.301 3.018 3.779 . 0 0 "[ . 1 . 2]" 1
1291 1 27 VAL MG1 1 109 GLY H . . 3.810 2.420 2.090 2.750 . 0 0 "[ . 1 . 2]" 1
1292 1 26 ASP HA 1 27 VAL MG1 . . 4.090 4.017 3.922 4.099 0.009 3 0 "[ . 1 . 2]" 1
1293 1 27 VAL MG1 1 109 GLY HA3 . . 3.480 2.959 2.722 3.162 . 0 0 "[ . 1 . 2]" 1
1294 1 27 VAL MG1 1 108 LYS HA . . 3.880 3.892 3.813 3.936 0.056 10 0 "[ . 1 . 2]" 1
1295 1 27 VAL MG1 1 28 PRO HD3 . . 3.760 3.149 2.938 3.288 . 0 0 "[ . 1 . 2]" 1
1296 1 27 VAL MG1 1 109 GLY HA2 . . 4.010 3.828 3.578 4.040 0.030 16 0 "[ . 1 . 2]" 1
1297 1 27 VAL MG1 1 28 PRO HD2 . . 3.740 3.065 2.895 3.173 . 0 0 "[ . 1 . 2]" 1
1298 1 27 VAL MG1 1 108 LYS HB2 . . 3.330 1.846 1.762 1.974 . 0 0 "[ . 1 . 2]" 1
1299 1 65 HIS HA 1 66 ARG H . . 3.250 2.227 2.193 2.268 . 0 0 "[ . 1 . 2]" 1
1300 1 59 LEU HA 1 82 PRO HB3 . . 4.360 2.880 2.691 3.172 . 0 0 "[ . 1 . 2]" 1
1301 1 59 LEU HA 1 82 PRO HG3 . . 4.030 2.571 2.512 2.609 . 0 0 "[ . 1 . 2]" 1
1302 1 59 LEU HA 1 59 LEU HG . . 3.920 3.032 2.629 3.315 . 0 0 "[ . 1 . 2]" 1
1303 1 59 LEU HA 1 59 LEU QD . . 2.660 2.215 1.985 2.419 . 0 0 "[ . 1 . 2]" 1
1304 1 68 ASN H 1 69 THR MG . . 4.200 3.768 2.835 4.244 0.044 20 0 "[ . 1 . 2]" 1
1305 1 69 THR H 1 69 THR MG . . 3.300 2.635 2.470 2.836 . 0 0 "[ . 1 . 2]" 1
1306 1 68 ASN HD21 1 69 THR MG . . 4.250 3.373 2.726 4.255 0.005 16 0 "[ . 1 . 2]" 1
1307 1 68 ASN HA 1 69 THR MG . . 3.830 3.877 3.768 3.973 0.143 15 0 "[ . 1 . 2]" 1
1308 1 68 ASN HB2 1 69 THR MG . . 3.730 3.649 3.367 3.872 0.142 14 0 "[ . 1 . 2]" 1
1309 1 64 THR H 1 64 THR MG . . 3.710 2.244 1.992 2.453 . 0 0 "[ . 1 . 2]" 1
1310 1 64 THR HA 1 64 THR MG . . 3.130 2.595 2.500 2.659 . 0 0 "[ . 1 . 2]" 1
1311 1 64 THR MG 1 77 VAL HA . . 3.360 3.018 2.286 3.454 0.094 5 0 "[ . 1 . 2]" 1
1312 1 63 ILE H 1 64 THR MG . . 3.840 3.690 3.574 3.863 0.023 5 0 "[ . 1 . 2]" 1
1313 1 64 THR MG 1 78 GLU H . . 3.890 3.551 3.053 3.914 0.024 5 0 "[ . 1 . 2]" 1
1314 1 79 VAL H 1 79 VAL MG2 . . 3.190 2.998 2.852 3.062 . 0 0 "[ . 1 . 2]" 1
1315 1 61 TYR H 1 79 VAL MG2 . . 4.480 4.467 4.316 4.501 0.021 16 0 "[ . 1 . 2]" 1
1316 1 79 VAL MG2 1 110 TRP HZ2 . . 3.650 2.386 2.272 2.498 . 0 0 "[ . 1 . 2]" 1
1317 1 79 VAL MG2 1 110 TRP HH2 . . 3.530 2.347 2.076 2.490 . 0 0 "[ . 1 . 2]" 1
1318 1 62 GLN HE21 1 64 THR MG . . 3.790 2.404 1.759 3.768 . 0 0 "[ . 1 . 2]" 1
1319 1 62 GLN HE22 1 64 THR MG . . 3.650 3.014 2.099 3.803 0.153 16 0 "[ . 1 . 2]" 1
1320 1 62 GLN HA 1 79 VAL MG2 . . 3.420 3.329 3.140 3.440 0.020 2 0 "[ . 1 . 2]" 1
1321 1 63 ILE HA 1 64 THR MG . . 4.060 3.393 3.231 3.486 . 0 0 "[ . 1 . 2]" 1
1322 1 79 VAL HA 1 79 VAL MG2 . . 3.050 2.212 2.190 2.233 . 0 0 "[ . 1 . 2]" 1
1323 1 79 VAL MG2 1 80 LEU H . . 3.710 3.586 3.423 3.673 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ILE H 1 59 LEU QD . . 4.480 4.146 3.695 4.414 . 0 0 "[ . 1 . 2]" 1
1325 1 27 VAL MG1 1 110 TRP HA . . 3.630 3.579 3.330 3.642 0.012 19 0 "[ . 1 . 2]" 1
1326 1 115 GLU HA 1 116 ALA H . . 2.940 2.215 2.206 2.226 . 0 0 "[ . 1 . 2]" 1
1327 1 102 ILE H 1 115 GLU HA . . 4.090 3.629 3.555 3.741 . 0 0 "[ . 1 . 2]" 1
1328 1 101 ARG HA 1 115 GLU HA . . 3.350 2.288 2.213 2.415 . 0 0 "[ . 1 . 2]" 1
1329 1 115 GLU HA 1 116 ALA HA . . 4.240 4.406 4.400 4.414 0.174 9 0 "[ . 1 . 2]" 1
1330 1 115 GLU HA 1 115 GLU HG2 . . 3.820 2.237 2.080 3.232 . 0 0 "[ . 1 . 2]" 1
1331 1 101 ARG HA 1 116 ALA H . . 4.080 3.524 3.403 3.717 . 0 0 "[ . 1 . 2]" 1
1332 1 101 ARG HA 1 102 ILE H . . 3.160 2.228 2.225 2.234 . 0 0 "[ . 1 . 2]" 1
1333 1 101 ARG HA 1 115 GLU HG2 . . 4.480 2.985 2.737 4.328 . 0 0 "[ . 1 . 2]" 1
1334 1 101 ARG HA 1 115 GLU QB . . 4.230 4.293 4.262 4.362 0.132 17 0 "[ . 1 . 2]" 1
1335 1 101 ARG HA 1 101 ARG HG2 . . 3.740 3.209 3.108 3.306 . 0 0 "[ . 1 . 2]" 1
1336 1 68 ASN HA 1 99 LEU HB2 . . 4.220 3.964 3.222 4.282 0.062 5 0 "[ . 1 . 2]" 1
1337 1 23 THR H 1 23 THR MG . . 3.630 3.468 1.917 3.673 0.043 12 0 "[ . 1 . 2]" 1
1338 1 90 THR H 1 90 THR MG . . 3.260 2.858 2.622 3.195 . 0 0 "[ . 1 . 2]" 1
1339 1 44 VAL H 1 90 THR MG . . 3.980 3.816 3.527 3.992 0.012 12 0 "[ . 1 . 2]" 1
1340 1 43 SER QB 1 90 THR MG . . 3.060 2.562 1.908 2.999 . 0 0 "[ . 1 . 2]" 1
1341 1 62 GLN HA 1 80 LEU H . . 4.220 2.951 2.832 3.091 . 0 0 "[ . 1 . 2]" 1
1342 1 62 GLN HA 1 63 ILE H . . 3.170 2.252 2.228 2.282 . 0 0 "[ . 1 . 2]" 1
1343 1 62 GLN HA 1 79 VAL HA . . 3.600 2.266 2.059 2.369 . 0 0 "[ . 1 . 2]" 1
1344 1 62 GLN HA 1 80 LEU HB2 . . 4.580 4.228 4.128 4.401 . 0 0 "[ . 1 . 2]" 1
1345 1 62 GLN HA 1 62 GLN HG2 . . 3.850 3.112 2.612 3.842 . 0 0 "[ . 1 . 2]" 1
1346 1 62 GLN HA 1 63 ILE HB . . 3.990 4.056 4.039 4.076 0.086 2 0 "[ . 1 . 2]" 1
1347 1 102 ILE H 1 114 ALA MB . . 3.950 3.128 2.992 3.274 . 0 0 "[ . 1 . 2]" 1
1348 1 114 ALA H 1 114 ALA MB . . 3.250 2.214 2.184 2.241 . 0 0 "[ . 1 . 2]" 1
1349 1 114 ALA MB 1 115 GLU H . . 3.250 3.298 3.265 3.342 0.092 11 0 "[ . 1 . 2]" 1
1350 1 30 PRO HA 1 114 ALA MB . . 4.110 3.749 3.674 3.815 . 0 0 "[ . 1 . 2]" 1
1351 1 31 PRO HD3 1 114 ALA MB . . 3.950 3.394 3.368 3.409 . 0 0 "[ . 1 . 2]" 1
1352 1 31 PRO HD2 1 114 ALA MB . . 3.520 1.939 1.922 1.958 . 0 0 "[ . 1 . 2]" 1
1353 1 30 PRO HB2 1 114 ALA MB . . 3.210 3.157 3.012 3.233 0.023 18 0 "[ . 1 . 2]" 1
1354 1 31 PRO HG2 1 114 ALA MB . . 3.350 1.946 1.936 1.966 . 0 0 "[ . 1 . 2]" 1
1355 1 34 ILE MG 1 114 ALA MB . . 4.060 3.449 3.350 3.707 . 0 0 "[ . 1 . 2]" 1
1356 1 74 THR MG 1 75 ALA H . . 3.700 2.971 1.915 3.837 0.137 5 0 "[ . 1 . 2]" 1
1357 1 74 THR H 1 74 THR MG . . 3.430 3.143 2.456 3.492 0.062 18 0 "[ . 1 . 2]" 1
1358 1 73 ASN HD21 1 74 THR MG . . 4.360 3.743 2.580 4.614 0.254 19 0 "[ . 1 . 2]" 1
1359 1 74 THR HA 1 74 THR MG . . 2.820 2.592 2.212 3.082 0.262 7 0 "[ . 1 . 2]" 1
1360 1 73 ASN QB 1 74 THR MG . . 4.060 3.600 2.473 4.142 0.082 3 0 "[ . 1 . 2]" 1
1361 1 106 THR MG 1 107 ARG H . . 3.910 3.461 3.351 3.598 . 0 0 "[ . 1 . 2]" 1
1362 1 59 LEU H 1 106 THR MG . . 4.200 3.333 3.089 3.506 . 0 0 "[ . 1 . 2]" 1
1363 1 58 ILE H 1 106 THR MG . . 4.460 3.718 3.364 3.965 . 0 0 "[ . 1 . 2]" 1
1364 1 57 ILE H 1 106 THR MG . . 4.070 4.011 3.533 4.098 0.028 7 0 "[ . 1 . 2]" 1
1365 1 56 GLY H 1 106 THR MG . . 4.380 4.327 4.123 4.415 0.035 12 0 "[ . 1 . 2]" 1
1366 1 106 THR HG1 1 106 THR MG . . 3.340 2.057 1.955 2.118 . 0 0 "[ . 1 . 2]" 1
1367 1 58 ILE HA 1 106 THR MG . . 3.490 2.252 2.062 2.387 . 0 0 "[ . 1 . 2]" 1
1368 1 56 GLY HA2 1 106 THR MG . . 4.060 3.992 3.667 4.061 0.001 6 0 "[ . 1 . 2]" 1
1369 1 28 PRO HD2 1 106 THR MG . . 3.740 3.310 3.130 3.590 . 0 0 "[ . 1 . 2]" 1
1370 1 28 PRO HB3 1 106 THR MG . . 3.640 3.243 3.008 3.394 . 0 0 "[ . 1 . 2]" 1
1371 1 28 PRO HB2 1 106 THR MG . . 4.230 4.179 4.037 4.279 0.049 1 0 "[ . 1 . 2]" 1
1372 1 28 PRO HG2 1 106 THR MG . . 3.610 3.197 3.088 3.318 . 0 0 "[ . 1 . 2]" 1
1373 1 28 PRO HG3 1 106 THR MG . . 3.290 1.931 1.858 1.994 . 0 0 "[ . 1 . 2]" 1
1374 1 98 TYR H 1 119 VAL MG2 . . 4.050 3.934 3.787 4.250 0.200 14 0 "[ . 1 . 2]" 1
1375 1 119 VAL MG2 1 120 THR H . . 3.670 3.604 3.509 3.720 0.050 14 0 "[ . 1 . 2]" 1
1376 1 96 SER H 1 119 VAL MG2 . . 4.270 4.270 4.054 4.430 0.160 16 0 "[ . 1 . 2]" 1
1377 1 97 VAL H 1 119 VAL MG2 . . 4.290 4.068 3.858 4.294 0.004 16 0 "[ . 1 . 2]" 1
1378 1 119 VAL H 1 119 VAL MG2 . . 3.100 2.808 2.653 2.920 . 0 0 "[ . 1 . 2]" 1
1379 1 119 VAL HA 1 119 VAL MG2 . . 3.040 2.126 2.058 2.325 . 0 0 "[ . 1 . 2]" 1
1380 1 96 SER HA 1 119 VAL MG2 . . 4.360 4.253 4.068 4.364 0.004 20 0 "[ . 1 . 2]" 1
1381 1 97 VAL HB 1 119 VAL MG2 . . 3.760 3.330 1.755 3.767 0.007 7 0 "[ . 1 . 2]" 1
1382 1 99 LEU HA 1 100 PHE H . . 3.160 2.185 2.176 2.260 . 0 0 "[ . 1 . 2]" 1
1383 1 99 LEU HA 1 118 VAL H . . 4.290 3.705 3.514 3.996 . 0 0 "[ . 1 . 2]" 1
1384 1 99 LEU HA 1 117 LEU HG . . 3.880 2.598 2.286 2.710 . 0 0 "[ . 1 . 2]" 1
1385 1 44 VAL QG 1 46 LEU H . . 4.160 3.753 3.501 4.001 . 0 0 "[ . 1 . 2]" 1
1386 1 44 VAL QG 1 100 PHE QD . . 4.060 3.962 3.693 4.025 . 0 0 "[ . 1 . 2]" 1
1387 1 36 PHE QD 1 44 VAL QG . . 3.320 3.301 3.259 3.376 0.056 20 0 "[ . 1 . 2]" 1
1388 1 36 PHE QE 1 44 VAL QG . . 3.280 2.938 2.725 3.142 . 0 0 "[ . 1 . 2]" 1
1389 1 44 VAL QG 1 100 PHE HZ . . 3.260 1.843 1.831 1.860 . 0 0 "[ . 1 . 2]" 1
1390 1 43 SER HA 1 44 VAL QG . . 4.120 3.160 3.012 3.383 . 0 0 "[ . 1 . 2]" 1
1391 1 44 VAL QG 1 89 ALA HA . . 4.490 4.100 3.997 4.308 . 0 0 "[ . 1 . 2]" 1
1392 1 44 VAL QG 1 46 LEU HB3 . . 3.880 3.611 3.513 3.740 . 0 0 "[ . 1 . 2]" 1
1393 1 36 PHE HA 1 47 ILE MD . . 4.120 3.248 3.142 3.328 . 0 0 "[ . 1 . 2]" 1
1394 1 36 PHE HA 1 36 PHE QD . . 3.860 2.969 2.892 3.044 . 0 0 "[ . 1 . 2]" 1
1395 1 36 PHE HA 1 38 GLU H . . 4.380 3.874 3.626 3.944 . 0 0 "[ . 1 . 2]" 1
1396 1 32 MET ME 1 52 ALA HA . . 4.160 4.127 4.037 4.174 0.014 15 0 "[ . 1 . 2]" 1
1397 1 73 ASN HA 1 74 THR H . . 3.550 3.314 2.306 3.656 0.106 14 0 "[ . 1 . 2]" 1
1398 1 34 ILE MG 1 35 LEU HA . . 4.210 4.077 3.885 4.206 . 0 0 "[ . 1 . 2]" 1
1399 1 105 GLN HA 1 106 THR H . . 3.210 2.211 2.203 2.219 . 0 0 "[ . 1 . 2]" 1
1400 1 105 GLN HA 1 110 TRP HE3 . . 4.330 3.816 3.693 3.907 . 0 0 "[ . 1 . 2]" 1
1401 1 105 GLN HA 1 105 GLN HG2 . . 4.020 3.029 2.479 3.754 . 0 0 "[ . 1 . 2]" 1
1402 1 84 ALA HA 1 85 ARG H . . 2.900 2.195 2.187 2.221 . 0 0 "[ . 1 . 2]" 1
1403 1 84 ALA HA 1 86 GLN H . . 3.660 3.504 3.272 3.648 . 0 0 "[ . 1 . 2]" 1
1404 1 96 SER HB3 1 97 VAL QG . . 4.390 4.089 3.536 5.032 0.642 13 2 "[ . 1 + . -]" 1
1405 1 100 PHE H 1 117 LEU HA . . 4.340 2.983 2.847 3.251 . 0 0 "[ . 1 . 2]" 1
1406 1 117 LEU HA 1 118 VAL H . . 3.030 2.285 2.228 2.370 . 0 0 "[ . 1 . 2]" 1
1407 1 99 LEU HA 1 117 LEU HA . . 3.670 2.117 1.962 2.343 . 0 0 "[ . 1 . 2]" 1
1408 1 117 LEU HA 1 117 LEU HG . . 3.600 2.459 2.419 2.521 . 0 0 "[ . 1 . 2]" 1
1409 1 25 ASP HA 1 26 ASP H . . 3.090 2.393 2.253 2.640 . 0 0 "[ . 1 . 2]" 1
1410 1 93 LYS HA 1 93 LYS QD . . 4.260 4.135 3.911 4.226 . 0 0 "[ . 1 . 2]" 1
1411 1 35 LEU HA 1 36 PHE H . . 2.940 2.359 2.324 2.436 . 0 0 "[ . 1 . 2]" 1
1412 1 35 LEU HA 1 36 PHE QD . . 4.150 3.303 3.084 3.437 . 0 0 "[ . 1 . 2]" 1
1413 1 105 GLN HA 1 105 GLN HG3 . . 4.110 2.722 2.321 2.919 . 0 0 "[ . 1 . 2]" 1
1414 1 81 ALA H 1 84 ALA MB . . 3.870 2.596 2.508 2.660 . 0 0 "[ . 1 . 2]" 1
1415 1 84 ALA H 1 84 ALA MB . . 2.820 2.235 2.130 2.309 . 0 0 "[ . 1 . 2]" 1
1416 1 83 SER H 1 84 ALA MB . . 4.180 3.645 3.427 3.756 . 0 0 "[ . 1 . 2]" 1
1417 1 61 TYR QD 1 84 ALA MB . . 3.770 3.547 3.314 3.725 . 0 0 "[ . 1 . 2]" 1
1418 1 84 ALA MB 1 86 GLN H . . 3.480 3.386 3.107 3.542 0.062 15 0 "[ . 1 . 2]" 1
1419 1 48 TRP HH2 1 84 ALA MB . . 3.580 2.809 2.641 3.048 . 0 0 "[ . 1 . 2]" 1
1420 1 48 TRP HZ2 1 84 ALA MB . . 3.250 2.257 1.945 2.553 . 0 0 "[ . 1 . 2]" 1
1421 1 48 TRP HE1 1 84 ALA MB . . 4.510 4.088 3.705 4.535 0.025 1 0 "[ . 1 . 2]" 1
1422 1 80 LEU HA 1 84 ALA MB . . 4.100 4.041 3.930 4.106 0.006 10 0 "[ . 1 . 2]" 1
1423 1 83 SER HA 1 84 ALA MB . . 4.500 4.619 4.606 4.631 0.131 11 0 "[ . 1 . 2]" 1
1424 1 80 LEU HB3 1 84 ALA MB . . 3.170 2.161 2.056 2.212 . 0 0 "[ . 1 . 2]" 1
1425 1 42 THR H 1 42 THR MG . . 3.520 2.303 2.030 2.739 . 0 0 "[ . 1 . 2]" 1
1426 1 41 THR HB 1 42 THR MG . . 3.680 2.469 2.342 2.791 . 0 0 "[ . 1 . 2]" 1
1427 1 42 THR MG 1 94 PRO HD2 . . 4.100 3.545 3.359 3.819 . 0 0 "[ . 1 . 2]" 1
1428 1 42 THR MG 1 94 PRO HB2 . . 4.400 4.418 4.102 4.474 0.074 20 0 "[ . 1 . 2]" 1
1429 1 42 THR MG 1 94 PRO HG2 . . 3.850 3.788 3.528 3.943 0.093 11 0 "[ . 1 . 2]" 1
1430 1 42 THR MG 1 92 LEU H . . 4.070 3.623 3.172 4.114 0.044 19 0 "[ . 1 . 2]" 1
1431 1 42 THR HA 1 42 THR MG . . 2.950 2.505 2.356 2.587 . 0 0 "[ . 1 . 2]" 1
1432 1 42 THR MG 1 94 PRO HD3 . . 3.730 2.131 1.913 2.415 . 0 0 "[ . 1 . 2]" 1
1433 1 42 THR MG 1 94 PRO HG3 . . 3.450 2.457 2.103 2.589 . 0 0 "[ . 1 . 2]" 1
1434 1 97 VAL QG 1 120 THR H . . 4.530 4.194 3.959 4.441 . 0 0 "[ . 1 . 2]" 1
1435 1 96 SER H 1 97 VAL QG . . 4.480 4.198 4.020 4.463 . 0 0 "[ . 1 . 2]" 1
1436 1 96 SER HA 1 97 VAL QG . . 3.600 3.078 2.900 3.318 . 0 0 "[ . 1 . 2]" 1
1437 1 80 LEU HA 1 81 ALA H . . 3.130 2.558 2.505 2.570 . 0 0 "[ . 1 . 2]" 1
1438 1 80 LEU HA 1 80 LEU HG . . 3.500 2.510 2.489 2.535 . 0 0 "[ . 1 . 2]" 1
1439 1 92 LEU HA 1 93 LYS H . . 3.430 2.448 2.266 2.611 . 0 0 "[ . 1 . 2]" 1
1440 1 121 THR MG 1 122 GLU H . . 3.450 3.394 3.239 3.479 0.029 20 0 "[ . 1 . 2]" 1
1441 1 121 THR H 1 121 THR MG . . 3.090 2.574 2.499 2.729 . 0 0 "[ . 1 . 2]" 1
1442 1 121 THR HA 1 121 THR MG . . 3.230 3.239 3.233 3.246 0.016 7 0 "[ . 1 . 2]" 1
1443 1 121 THR MG 1 122 GLU HA . . 4.260 4.233 4.051 4.290 0.030 19 0 "[ . 1 . 2]" 1
1444 1 121 THR MG 1 123 LYS HA . . 4.430 4.458 4.351 4.548 0.118 5 0 "[ . 1 . 2]" 1
1445 1 120 THR HA 1 121 THR MG . . 3.760 3.689 3.556 3.797 0.037 3 0 "[ . 1 . 2]" 1
1446 1 95 GLU HA 1 121 THR MG . . 4.420 4.436 4.409 4.467 0.047 20 0 "[ . 1 . 2]" 1
1447 1 119 VAL MG1 1 121 THR MG . . 3.110 2.010 1.789 2.225 . 0 0 "[ . 1 . 2]" 1
1448 1 44 VAL H 1 88 THR MG . . 3.720 3.705 3.525 3.765 0.045 15 0 "[ . 1 . 2]" 1
1449 1 88 THR H 1 88 THR MG . . 3.860 3.782 3.717 3.837 . 0 0 "[ . 1 . 2]" 1
1450 1 88 THR HA 1 88 THR MG . . 3.090 2.286 2.190 2.401 . 0 0 "[ . 1 . 2]" 1
1451 1 88 THR MG 1 90 THR MG . . 2.790 2.380 2.005 2.766 . 0 0 "[ . 1 . 2]" 1
1452 1 77 VAL QG 1 79 VAL H . . 4.380 4.215 4.121 4.297 . 0 0 "[ . 1 . 2]" 1
1453 1 77 VAL H 1 77 VAL QG . . 3.160 2.172 1.833 2.641 . 0 0 "[ . 1 . 2]" 1
1454 1 62 GLN HE21 1 77 VAL QG . . 3.860 2.414 1.815 3.388 . 0 0 "[ . 1 . 2]" 1
1455 1 62 GLN HE22 1 77 VAL QG . . 3.870 2.633 1.874 3.312 . 0 0 "[ . 1 . 2]" 1
1456 1 64 THR HA 1 77 VAL QG . . 3.690 2.903 2.541 3.340 . 0 0 "[ . 1 . 2]" 1
1457 1 62 GLN HA 1 77 VAL QG . . 4.450 4.178 3.931 4.391 . 0 0 "[ . 1 . 2]" 1
1458 1 77 VAL QG 1 78 GLU HA . . 3.780 3.389 3.220 3.539 . 0 0 "[ . 1 . 2]" 1
1459 1 77 VAL HA 1 77 VAL QG . . 3.100 2.312 2.073 2.514 . 0 0 "[ . 1 . 2]" 1
1460 1 64 THR HB 1 77 VAL QG . . 3.670 2.269 1.964 2.751 . 0 0 "[ . 1 . 2]" 1
1461 1 62 GLN HG2 1 77 VAL QG . . 3.340 2.665 2.186 3.178 . 0 0 "[ . 1 . 2]" 1
1462 1 64 THR MG 1 77 VAL QG . . 2.730 1.848 1.725 1.928 . 0 0 "[ . 1 . 2]" 1
1463 1 86 GLN HA 1 87 TYR H . . 3.240 2.519 2.431 2.685 . 0 0 "[ . 1 . 2]" 1
1464 1 48 TRP HZ3 1 86 GLN HA . . 4.190 2.258 2.116 2.437 . 0 0 "[ . 1 . 2]" 1
1465 1 88 THR HA 1 89 ALA MB . . 4.130 3.872 3.802 3.909 . 0 0 "[ . 1 . 2]" 1
1466 1 89 ALA H 1 89 ALA MB . . 3.230 2.338 2.289 2.392 . 0 0 "[ . 1 . 2]" 1
1467 1 89 ALA MB 1 90 THR H . . 3.390 3.230 2.685 3.403 0.013 9 0 "[ . 1 . 2]" 1
1468 1 44 VAL H 1 89 ALA MB . . 3.690 2.788 2.346 3.089 . 0 0 "[ . 1 . 2]" 1
1469 1 87 TYR QD 1 89 ALA MB . . 3.700 3.049 2.868 3.294 . 0 0 "[ . 1 . 2]" 1
1470 1 87 TYR QE 1 89 ALA MB . . 2.860 2.165 1.953 2.473 . 0 0 "[ . 1 . 2]" 1
1471 1 89 ALA MB 1 100 PHE HZ . . 3.190 2.001 1.827 2.611 . 0 0 "[ . 1 . 2]" 1
1472 1 43 SER HA 1 89 ALA MB . . 4.260 3.956 3.325 4.284 0.024 11 0 "[ . 1 . 2]" 1
1473 1 44 VAL QG 1 89 ALA MB . . 3.260 1.818 1.777 1.859 . 0 0 "[ . 1 . 2]" 1
1474 1 89 ALA MB 1 92 LEU QD . . 2.940 1.822 1.695 1.903 . 0 0 "[ . 1 . 2]" 1
1475 1 88 THR MG 1 89 ALA H . . 3.290 2.643 2.399 2.941 . 0 0 "[ . 1 . 2]" 1
1476 1 45 ARG HA 1 88 THR MG . . 3.810 3.622 3.250 3.785 . 0 0 "[ . 1 . 2]" 1
1477 1 98 TYR H 1 118 VAL MG1 . . 3.910 2.940 2.627 3.148 . 0 0 "[ . 1 . 2]" 1
1478 1 118 VAL H 1 118 VAL MG1 . . 3.250 2.196 1.988 2.342 . 0 0 "[ . 1 . 2]" 1
1479 1 100 PHE QD 1 118 VAL MG1 . . 3.280 2.010 1.938 2.114 . 0 0 "[ . 1 . 2]" 1
1480 1 100 PHE QE 1 118 VAL MG1 . . 3.100 1.995 1.774 2.161 . 0 0 "[ . 1 . 2]" 1
1481 1 36 PHE HZ 1 118 VAL MG1 . . 3.720 2.408 2.250 2.670 . 0 0 "[ . 1 . 2]" 1
1482 1 36 PHE QE 1 118 VAL MG1 . . 3.420 1.995 1.948 2.070 . 0 0 "[ . 1 . 2]" 1
1483 1 118 VAL HA 1 118 VAL MG1 . . 3.600 3.203 3.196 3.205 . 0 0 "[ . 1 . 2]" 1
1484 1 98 TYR HB2 1 118 VAL MG1 . . 3.450 2.371 2.266 2.587 . 0 0 "[ . 1 . 2]" 1
1485 1 44 VAL HB 1 118 VAL MG1 . . 4.240 3.565 3.360 3.750 . 0 0 "[ . 1 . 2]" 1
1486 1 116 ALA MB 1 118 VAL MG1 . . 4.220 4.214 4.151 4.256 0.036 18 0 "[ . 1 . 2]" 1
1487 1 36 PHE QD 1 46 LEU HA . . 4.150 3.494 3.340 3.633 . 0 0 "[ . 1 . 2]" 1
1488 1 46 LEU HA 1 47 ILE H . . 3.240 2.534 2.521 2.544 . 0 0 "[ . 1 . 2]" 1
1489 1 95 GLU HA 1 119 VAL MG1 . . 3.590 3.451 3.156 3.643 0.053 14 0 "[ . 1 . 2]" 1
1490 1 119 VAL MG1 1 120 THR H . . 3.300 2.211 1.977 2.494 . 0 0 "[ . 1 . 2]" 1
1491 1 96 SER H 1 119 VAL MG1 . . 3.830 2.859 2.581 3.120 . 0 0 "[ . 1 . 2]" 1
1492 1 119 VAL H 1 119 VAL MG1 . . 3.610 3.579 3.551 3.642 0.032 14 0 "[ . 1 . 2]" 1
1493 1 119 VAL MG1 1 121 THR H . . 4.020 3.747 3.549 3.998 . 0 0 "[ . 1 . 2]" 1
1494 1 119 VAL HA 1 119 VAL MG1 . . 3.040 2.626 2.588 2.654 . 0 0 "[ . 1 . 2]" 1
1495 1 119 VAL MG1 1 121 THR HB . . 3.540 2.998 2.881 3.068 . 0 0 "[ . 1 . 2]" 1
1496 1 97 VAL QG 1 119 VAL MG1 . . 3.380 3.257 3.076 3.509 0.129 16 0 "[ . 1 . 2]" 1
1497 1 64 THR HG1 1 77 VAL QG . . 4.330 3.985 3.733 4.269 . 0 0 "[ . 1 . 2]" 1
1498 1 75 ALA MB 1 77 VAL QG . . 3.050 2.812 2.317 3.040 . 0 0 "[ . 1 . 2]" 1
1499 1 117 LEU HA 1 118 VAL MG1 . . 4.030 3.568 3.458 3.707 . 0 0 "[ . 1 . 2]" 1
1500 1 98 TYR HB3 1 118 VAL MG1 . . 3.730 3.079 2.792 3.536 . 0 0 "[ . 1 . 2]" 1
1501 1 36 PHE HA 1 46 LEU HA . . 3.530 2.269 2.183 2.360 . 0 0 "[ . 1 . 2]" 1
1502 1 46 LEU HA 1 47 ILE MG . . 3.800 2.997 2.902 3.228 . 0 0 "[ . 1 . 2]" 1
1503 1 46 LEU HA 1 46 LEU MD1 . . 4.000 3.959 3.930 3.984 . 0 0 "[ . 1 . 2]" 1
1504 1 119 VAL MG1 1 120 THR HA . . 4.270 3.592 3.401 3.701 . 0 0 "[ . 1 . 2]" 1
1505 1 26 ASP HA 1 27 VAL H . . 3.310 2.445 2.352 2.716 . 0 0 "[ . 1 . 2]" 1
1506 1 92 LEU QD 1 93 LYS H . . 3.930 3.730 3.577 3.843 . 0 0 "[ . 1 . 2]" 1
1507 1 75 ALA MB 1 76 THR H . . 3.410 3.056 2.438 3.433 0.023 20 0 "[ . 1 . 2]" 1
1508 1 75 ALA H 1 75 ALA MB . . 3.160 2.361 2.157 2.518 . 0 0 "[ . 1 . 2]" 1
1509 1 64 THR HB 1 75 ALA MB . . 3.390 3.001 2.596 3.370 . 0 0 "[ . 1 . 2]" 1
1510 1 49 GLN HA 1 50 PRO QD . . 3.200 2.052 2.032 2.066 . 0 0 "[ . 1 . 2]" 1
1511 1 49 GLN HA 1 50 PRO HG3 . . 4.260 4.354 4.337 4.365 0.105 10 0 "[ . 1 . 2]" 1
1512 1 102 ILE H 1 113 ALA MB . . 3.790 3.752 3.648 3.832 0.042 16 0 "[ . 1 . 2]" 1
1513 1 113 ALA MB 1 114 ALA H . . 3.200 3.060 2.860 3.209 0.009 20 0 "[ . 1 . 2]" 1
1514 1 113 ALA H 1 113 ALA MB . . 2.780 2.586 2.538 2.631 . 0 0 "[ . 1 . 2]" 1
1515 1 101 ARG HE 1 113 ALA MB . . 4.390 3.811 1.942 4.402 0.012 1 0 "[ . 1 . 2]" 1
1516 1 101 ARG HA 1 113 ALA MB . . 4.010 3.956 3.654 4.029 0.019 5 0 "[ . 1 . 2]" 1
1517 1 103 THR HG1 1 113 ALA MB . . 4.030 2.082 1.848 2.647 . 0 0 "[ . 1 . 2]" 1
1518 1 103 THR HA 1 113 ALA MB . . 4.100 3.581 3.415 3.750 . 0 0 "[ . 1 . 2]" 1
1519 1 101 ARG HD2 1 113 ALA MB . . 3.810 3.211 2.902 4.117 0.307 20 0 "[ . 1 . 2]" 1
1520 1 64 THR HG1 1 75 ALA MB . . 4.370 4.037 3.443 4.359 . 0 0 "[ . 1 . 2]" 1
1521 1 66 ARG HD2 1 75 ALA MB . . 3.980 2.524 1.955 3.647 . 0 0 "[ . 1 . 2]" 1
1522 1 48 TRP HZ2 1 85 ARG HA . . 4.390 4.330 3.708 4.421 0.031 12 0 "[ . 1 . 2]" 1
1523 1 85 ARG HA 1 85 ARG HD2 . . 3.870 3.204 2.538 3.829 . 0 0 "[ . 1 . 2]" 1
1524 1 85 ARG HA 1 85 ARG HD3 . . 3.690 3.340 2.421 3.873 0.183 10 0 "[ . 1 . 2]" 1
1525 1 60 ALA HA 1 61 TYR H . . 3.100 2.779 2.718 2.872 . 0 0 "[ . 1 . 2]" 1
1526 1 60 ALA HA 1 82 PRO HD2 . . 4.400 3.939 3.823 4.025 . 0 0 "[ . 1 . 2]" 1
1527 1 60 ALA HA 1 82 PRO HD3 . . 4.090 2.778 2.583 2.929 . 0 0 "[ . 1 . 2]" 1
1528 1 60 ALA HA 1 82 PRO HB2 . . 4.430 4.235 4.170 4.300 . 0 0 "[ . 1 . 2]" 1
1529 1 116 ALA HA 1 117 LEU HA . . 4.360 4.363 4.357 4.369 0.009 7 0 "[ . 1 . 2]" 1
1530 1 116 ALA HA 1 117 LEU H . . 2.880 2.196 2.187 2.223 . 0 0 "[ . 1 . 2]" 1
1531 1 66 ARG HB2 1 75 ALA HA . . 3.770 3.831 3.056 4.062 0.292 16 0 "[ . 1 . 2]" 1
1532 1 75 ALA HA 1 76 THR H . . 3.480 2.253 2.187 2.479 . 0 0 "[ . 1 . 2]" 1
1533 1 66 ARG HB3 1 75 ALA HA . . 4.050 3.148 2.061 3.720 . 0 0 "[ . 1 . 2]" 1
1534 1 72 ALA MB 1 73 ASN H . . 4.090 2.424 1.912 3.329 . 0 0 "[ . 1 . 2]" 1
1535 1 72 ALA H 1 72 ALA MB . . 3.430 2.566 2.011 2.994 . 0 0 "[ . 1 . 2]" 1
1536 1 72 ALA MB 1 74 THR H . . 4.410 3.296 2.494 4.411 0.001 18 0 "[ . 1 . 2]" 1
1537 1 71 THR HA 1 72 ALA MB . . 4.010 3.906 3.662 4.135 0.125 16 0 "[ . 1 . 2]" 1
1538 1 31 PRO HD2 1 114 ALA HA . . 4.290 3.264 3.202 3.295 . 0 0 "[ . 1 . 2]" 1
1539 1 114 ALA HA 1 115 GLU H . . 2.890 2.188 2.187 2.190 . 0 0 "[ . 1 . 2]" 1
1540 1 30 PRO HB2 1 114 ALA HA . . 4.310 3.826 3.618 3.967 . 0 0 "[ . 1 . 2]" 1
1541 1 31 PRO HG2 1 114 ALA HA . . 4.460 4.467 4.435 4.500 0.040 8 0 "[ . 1 . 2]" 1
1542 1 93 LYS HA 1 94 PRO HD3 . . 3.120 1.916 1.909 1.931 . 0 0 "[ . 1 . 2]" 1
1543 1 93 LYS HA 1 94 PRO HD2 . . 3.150 2.376 2.313 2.458 . 0 0 "[ . 1 . 2]" 1
1544 1 93 LYS QB 1 94 PRO HD2 . . 3.680 3.622 3.489 3.711 0.031 10 0 "[ . 1 . 2]" 1
1545 1 52 ALA H 1 52 ALA MB . . 2.780 1.958 1.940 2.065 . 0 0 "[ . 1 . 2]" 1
1546 1 52 ALA MB 1 53 ALA H . . 3.250 2.941 2.858 2.971 . 0 0 "[ . 1 . 2]" 1
1547 1 52 ALA MB 1 53 ALA HA . . 4.160 4.050 4.040 4.093 . 0 0 "[ . 1 . 2]" 1
1548 1 52 ALA MB 1 54 PRO HD3 . . 4.380 4.412 4.395 4.432 0.052 8 0 "[ . 1 . 2]" 1
1549 1 32 MET ME 1 52 ALA MB . . 3.120 2.362 2.267 2.521 . 0 0 "[ . 1 . 2]" 1
1550 1 93 LYS HG3 1 94 PRO HD2 . . 4.200 2.906 2.543 3.842 . 0 0 "[ . 1 . 2]" 1
1551 1 37 PRO HD2 1 47 ILE H . . 4.090 3.617 3.523 3.694 . 0 0 "[ . 1 . 2]" 1
1552 1 37 PRO HD2 1 38 GLU H . . 3.900 2.345 2.266 2.374 . 0 0 "[ . 1 . 2]" 1
1553 1 36 PHE HA 1 37 PRO HD2 . . 3.340 2.200 2.195 2.210 . 0 0 "[ . 1 . 2]" 1
1554 1 37 PRO HD2 1 46 LEU HA . . 3.760 2.034 1.973 2.142 . 0 0 "[ . 1 . 2]" 1
1555 1 37 PRO HD3 1 38 GLU H . . 4.300 3.742 3.681 3.762 . 0 0 "[ . 1 . 2]" 1
1556 1 36 PHE HA 1 37 PRO HD3 . . 3.530 2.279 2.254 2.327 . 0 0 "[ . 1 . 2]" 1
1557 1 37 PRO HD3 1 46 LEU HA . . 4.020 2.830 2.747 2.917 . 0 0 "[ . 1 . 2]" 1
1558 1 37 PRO HD3 1 47 ILE MD . . 3.290 1.751 1.724 1.775 . 0 0 "[ . 1 . 2]" 1
1559 1 81 ALA H 1 81 ALA MB . . 2.740 2.039 1.981 2.097 . 0 0 "[ . 1 . 2]" 1
1560 1 81 ALA MB 1 84 ALA H . . 3.680 3.694 3.657 3.722 0.042 5 0 "[ . 1 . 2]" 1
1561 1 81 ALA MB 1 83 SER H . . 3.400 2.061 2.011 2.122 . 0 0 "[ . 1 . 2]" 1
1562 1 60 ALA HA 1 81 ALA MB . . 4.090 4.073 3.999 4.116 0.026 15 0 "[ . 1 . 2]" 1
1563 1 81 ALA MB 1 82 PRO HD2 . . 2.870 2.076 2.022 2.143 . 0 0 "[ . 1 . 2]" 1
1564 1 81 ALA MB 1 82 PRO HD3 . . 3.040 2.682 2.618 2.744 . 0 0 "[ . 1 . 2]" 1
1565 1 81 ALA MB 1 84 ALA MB . . 3.050 3.055 2.979 3.098 0.048 20 0 "[ . 1 . 2]" 1
1566 1 60 ALA MB 1 81 ALA MB . . 3.810 3.843 3.774 3.874 0.064 13 0 "[ . 1 . 2]" 1
1567 1 80 LEU MD2 1 81 ALA MB . . 4.080 4.105 4.077 4.133 0.053 1 0 "[ . 1 . 2]" 1
1568 1 47 ILE MG 1 87 TYR H . . 4.150 3.869 3.603 4.016 . 0 0 "[ . 1 . 2]" 1
1569 1 47 ILE HA 1 47 ILE MG . . 3.160 2.499 2.395 2.544 . 0 0 "[ . 1 . 2]" 1
1570 1 37 PRO HD3 1 47 ILE MG . . 3.800 2.892 2.790 2.976 . 0 0 "[ . 1 . 2]" 1
1571 1 37 PRO HB3 1 47 ILE MG . . 4.130 4.293 4.234 4.337 0.207 12 0 "[ . 1 . 2]" 1
1572 1 47 ILE MG 1 86 GLN HG3 . . 3.710 3.637 3.154 4.107 0.397 16 0 "[ . 1 . 2]" 1
1573 1 37 PRO HD2 1 47 ILE MG . . 3.430 2.896 2.657 3.116 . 0 0 "[ . 1 . 2]" 1
1574 1 37 PRO HD3 1 47 ILE H . . 4.160 3.069 3.018 3.157 . 0 0 "[ . 1 . 2]" 1
1575 1 53 ALA H 1 53 ALA MB . . 2.990 2.424 2.410 2.432 . 0 0 "[ . 1 . 2]" 1
1576 1 53 ALA MB 1 55 ASN H . . 4.150 4.031 3.922 4.081 . 0 0 "[ . 1 . 2]" 1
1577 1 53 ALA MB 1 55 ASN HD21 . . 4.260 3.593 2.877 3.882 . 0 0 "[ . 1 . 2]" 1
1578 1 53 ALA MB 1 55 ASN HD22 . . 3.710 2.437 1.980 3.916 0.206 14 0 "[ . 1 . 2]" 1
1579 1 53 ALA MB 1 54 PRO HA . . 4.510 4.468 4.462 4.476 . 0 0 "[ . 1 . 2]" 1
1580 1 53 ALA MB 1 54 PRO HD2 . . 3.750 3.779 3.757 3.798 0.048 9 0 "[ . 1 . 2]" 1
1581 1 53 ALA MB 1 54 PRO HD3 . . 3.980 3.925 3.920 3.929 . 0 0 "[ . 1 . 2]" 1
1582 1 52 ALA MB 1 53 ALA MB . . 3.280 3.293 3.263 3.316 0.036 1 0 "[ . 1 . 2]" 1
1583 1 47 ILE H 1 47 ILE MG . . 3.750 2.724 2.653 2.885 . 0 0 "[ . 1 . 2]" 1
1584 1 47 ILE MG 1 86 GLN HA . . 3.430 3.409 3.197 3.483 0.053 1 0 "[ . 1 . 2]" 1
1585 1 47 ILE HG12 1 47 ILE MG . . 3.350 3.235 3.226 3.239 . 0 0 "[ . 1 . 2]" 1
1586 1 27 VAL MG2 1 111 GLY QA . . 3.090 2.040 1.852 2.219 . 0 0 "[ . 1 . 2]" 1
1587 1 27 VAL MG2 1 28 PRO HD2 . . 3.620 3.643 3.600 3.676 0.056 6 0 "[ . 1 . 2]" 1
1588 1 26 ASP HB3 1 27 VAL MG2 . . 4.140 3.868 3.204 4.136 . 0 0 "[ . 1 . 2]" 1
1589 1 27 VAL H 1 27 VAL MG2 . . 2.930 1.896 1.841 1.926 . 0 0 "[ . 1 . 2]" 1
1590 1 27 VAL MG2 1 112 GLU H . . 4.040 3.660 3.296 4.057 0.017 20 0 "[ . 1 . 2]" 1
1591 1 26 ASP HA 1 27 VAL MG2 . . 3.780 3.823 3.746 3.864 0.084 14 0 "[ . 1 . 2]" 1
1592 1 26 ASP HB2 1 27 VAL MG2 . . 4.090 3.227 2.697 4.161 0.071 10 0 "[ . 1 . 2]" 1
1593 1 58 ILE MG 1 60 ALA HA . . 4.240 3.271 3.195 3.332 . 0 0 "[ . 1 . 2]" 1
1594 1 58 ILE MG 1 61 TYR HH . . 4.300 3.304 2.432 3.881 . 0 0 "[ . 1 . 2]" 1
1595 1 58 ILE MG 1 59 LEU H . . 3.600 2.408 2.188 2.758 . 0 0 "[ . 1 . 2]" 1
1596 1 58 ILE H 1 58 ILE MG . . 3.850 3.721 3.707 3.752 . 0 0 "[ . 1 . 2]" 1
1597 1 58 ILE MG 1 105 GLN H . . 3.840 2.617 2.296 3.244 . 0 0 "[ . 1 . 2]" 1
1598 1 58 ILE MG 1 60 ALA H . . 3.250 2.079 1.980 2.233 . 0 0 "[ . 1 . 2]" 1
1599 1 58 ILE MG 1 61 TYR QE . . 3.890 1.918 1.781 2.182 . 0 0 "[ . 1 . 2]" 1
1600 1 58 ILE MG 1 104 ALA HA . . 4.330 3.406 3.149 3.635 . 0 0 "[ . 1 . 2]" 1
1601 1 58 ILE HA 1 58 ILE MG . . 3.280 2.304 2.208 2.394 . 0 0 "[ . 1 . 2]" 1
1602 1 58 ILE MG 1 82 PRO HB2 . . 3.650 2.933 2.573 3.264 . 0 0 "[ . 1 . 2]" 1
1603 1 58 ILE MG 1 82 PRO HB3 . . 3.560 2.276 2.020 2.486 . 0 0 "[ . 1 . 2]" 1
1604 1 58 ILE HG13 1 58 ILE MG . . 3.430 2.350 2.243 2.459 . 0 0 "[ . 1 . 2]" 1
1605 1 58 ILE HG12 1 58 ILE MG . . 3.490 3.223 3.211 3.234 . 0 0 "[ . 1 . 2]" 1
1606 1 58 ILE MG 1 104 ALA MB . . 3.220 2.255 1.895 2.627 . 0 0 "[ . 1 . 2]" 1
1607 1 58 ILE MG 1 106 THR MG . . 3.850 3.435 3.221 3.629 . 0 0 "[ . 1 . 2]" 1
1608 1 34 ILE MG 1 47 ILE H . . 4.270 3.980 3.840 4.114 . 0 0 "[ . 1 . 2]" 1
1609 1 34 ILE MG 1 116 ALA HA . . 4.390 3.955 3.837 4.015 . 0 0 "[ . 1 . 2]" 1
1610 1 81 ALA HA 1 82 PRO HD2 . . 3.300 2.928 2.896 2.949 . 0 0 "[ . 1 . 2]" 1
1611 1 81 ALA HA 1 82 PRO HG3 . . 4.250 4.379 4.358 4.392 0.142 9 0 "[ . 1 . 2]" 1
1612 1 51 PRO HD3 1 58 ILE MD . . 4.380 4.120 3.963 4.203 . 0 0 "[ . 1 . 2]" 1
1613 1 16 HIS HA 1 17 PRO HD2 . . 2.970 2.624 2.279 2.914 . 0 0 "[ . 1 . 2]" 1
1614 1 13 SER HA 1 14 PRO HD3 . . 3.110 2.227 1.944 2.471 . 0 0 "[ . 1 . 2]" 1
1615 1 49 GLN HB3 1 50 PRO QD . . 3.880 2.009 1.959 2.128 . 0 0 "[ . 1 . 2]" 1
1616 1 16 HIS HA 1 17 PRO HD3 . . 3.040 1.977 1.917 2.123 . 0 0 "[ . 1 . 2]" 1
1617 1 16 HIS HB3 1 17 PRO HD3 . . 4.030 3.822 3.166 4.277 0.247 12 0 "[ . 1 . 2]" 1
1618 1 51 PRO HD2 1 61 TYR QE . . 4.590 4.436 4.253 4.601 0.011 10 0 "[ . 1 . 2]" 1
1619 1 58 ILE MG 1 59 LEU HA . . 4.380 4.023 3.847 4.209 . 0 0 "[ . 1 . 2]" 1
1620 1 34 ILE MG 1 35 LEU H . . 3.470 3.109 2.745 3.391 . 0 0 "[ . 1 . 2]" 1
1621 1 34 ILE MG 1 36 PHE QD . . 4.100 4.090 3.973 4.145 0.045 6 0 "[ . 1 . 2]" 1
1622 1 34 ILE MG 1 36 PHE HZ . . 3.810 3.714 3.515 3.824 0.014 5 0 "[ . 1 . 2]" 1
1623 1 34 ILE MG 1 36 PHE QE . . 3.550 3.022 2.923 3.175 . 0 0 "[ . 1 . 2]" 1
1624 1 34 ILE MG 1 48 TRP HA . . 4.330 3.901 3.658 4.081 . 0 0 "[ . 1 . 2]" 1
1625 1 34 ILE HA 1 34 ILE MG . . 3.210 2.143 2.123 2.162 . 0 0 "[ . 1 . 2]" 1
1626 1 34 ILE HG12 1 34 ILE MG . . 3.190 3.221 3.198 3.231 0.041 19 0 "[ . 1 . 2]" 1
1627 1 34 ILE HG13 1 34 ILE MG . . 3.120 2.262 2.172 2.318 . 0 0 "[ . 1 . 2]" 1
1628 1 34 ILE MG 1 102 ILE MD . . 3.550 2.096 1.966 2.308 . 0 0 "[ . 1 . 2]" 1
1629 1 31 PRO HD2 1 114 ALA H . . 4.440 2.068 1.966 2.142 . 0 0 "[ . 1 . 2]" 1
1630 1 31 PRO HD2 1 102 ILE HB . . 4.500 4.209 4.032 4.362 . 0 0 "[ . 1 . 2]" 1
1631 1 16 HIS HB2 1 17 PRO HD3 . . 4.050 3.729 2.698 4.563 0.513 9 1 "[ . +1 . 2]" 1
1632 1 17 PRO HB3 1 18 PRO HD3 . . 3.750 3.516 3.150 3.775 0.025 3 0 "[ . 1 . 2]" 1
1633 1 63 ILE MG 1 64 THR H . . 3.430 3.335 3.079 3.475 0.045 3 0 "[ . 1 . 2]" 1
1634 1 63 ILE H 1 63 ILE MG . . 3.790 3.230 3.147 3.408 . 0 0 "[ . 1 . 2]" 1
1635 1 63 ILE MG 1 100 PHE QD . . 3.230 2.954 2.587 3.119 . 0 0 "[ . 1 . 2]" 1
1636 1 63 ILE MG 1 87 TYR QE . . 3.280 2.672 2.559 2.747 . 0 0 "[ . 1 . 2]" 1
1637 1 63 ILE MG 1 64 THR HA . . 4.290 3.590 3.430 3.753 . 0 0 "[ . 1 . 2]" 1
1638 1 63 ILE MG 1 100 PHE HA . . 4.300 4.220 3.926 4.334 0.034 16 0 "[ . 1 . 2]" 1
1639 1 63 ILE HA 1 63 ILE MG . . 3.170 2.884 2.792 2.924 . 0 0 "[ . 1 . 2]" 1
1640 1 63 ILE MG 1 87 TYR HB3 . . 4.130 3.349 3.160 3.526 . 0 0 "[ . 1 . 2]" 1
1641 1 62 GLN H 1 104 ALA HA . . 4.430 3.708 3.596 3.797 . 0 0 "[ . 1 . 2]" 1
1642 1 104 ALA HA 1 105 GLN H . . 3.370 2.398 2.263 2.449 . 0 0 "[ . 1 . 2]" 1
1643 1 61 TYR QD 1 104 ALA HA . . 4.290 3.104 2.915 3.342 . 0 0 "[ . 1 . 2]" 1
1644 1 104 ALA HA 1 110 TRP HZ3 . . 4.290 2.976 2.859 3.062 . 0 0 "[ . 1 . 2]" 1
1645 1 53 ALA HA 1 54 PRO HD2 . . 3.310 2.218 2.211 2.225 . 0 0 "[ . 1 . 2]" 1
1646 1 54 PRO HD2 1 55 ASN HA . . 4.340 4.220 4.210 4.233 . 0 0 "[ . 1 . 2]" 1
1647 1 53 ALA HA 1 54 PRO HD3 . . 3.460 2.367 2.345 2.385 . 0 0 "[ . 1 . 2]" 1
1648 1 19 ILE MG 1 21 GLU H . . 3.790 3.448 2.407 3.921 0.131 20 0 "[ . 1 . 2]" 1
1649 1 19 ILE MG 1 20 LEU H . . 3.820 2.309 1.808 3.902 0.082 15 0 "[ . 1 . 2]" 1
1650 1 19 ILE H 1 19 ILE MG . . 3.960 3.714 3.574 4.060 0.100 5 0 "[ . 1 . 2]" 1
1651 1 19 ILE HA 1 19 ILE MG . . 3.340 2.475 2.092 2.665 . 0 0 "[ . 1 . 2]" 1
1652 1 54 PRO HD2 1 55 ASN H . . 4.340 2.254 2.253 2.257 . 0 0 "[ . 1 . 2]" 1
1653 1 52 ALA HA 1 54 PRO HD3 . . 4.460 3.647 3.617 3.686 . 0 0 "[ . 1 . 2]" 1
1654 1 89 ALA HA 1 90 THR H . . 2.900 2.215 2.186 2.369 . 0 0 "[ . 1 . 2]" 1
1655 1 87 TYR QE 1 89 ALA HA . . 3.820 2.705 2.387 3.015 . 0 0 "[ . 1 . 2]" 1
1656 1 57 ILE MG 1 58 ILE H . . 3.160 2.892 2.471 3.186 0.026 9 0 "[ . 1 . 2]" 1
1657 1 57 ILE H 1 57 ILE MG . . 3.640 3.605 3.581 3.712 0.072 11 0 "[ . 1 . 2]" 1
1658 1 57 ILE MG 1 59 LEU HA . . 4.160 3.766 3.624 3.957 . 0 0 "[ . 1 . 2]" 1
1659 1 57 ILE HA 1 57 ILE MG . . 3.080 2.609 2.305 2.678 . 0 0 "[ . 1 . 2]" 1
1660 1 57 ILE HG12 1 57 ILE MG . . 3.010 2.561 2.410 3.170 0.160 11 0 "[ . 1 . 2]" 1
1661 1 57 ILE HG13 1 57 ILE MG . . 2.950 2.322 2.093 2.385 . 0 0 "[ . 1 . 2]" 1
1662 1 57 ILE MG 1 59 LEU QD . . 2.930 1.963 1.825 2.195 . 0 0 "[ . 1 . 2]" 1
1663 1 28 PRO HD3 1 106 THR MG . . 3.900 2.040 1.893 2.391 . 0 0 "[ . 1 . 2]" 1
1664 1 126 GLY QA 1 127 PRO QD . . 2.850 1.963 1.848 2.178 . 0 0 "[ . 1 . 2]" 1
1665 1 28 PRO HD3 1 106 THR H . . 4.370 4.009 3.888 4.106 . 0 0 "[ . 1 . 2]" 1
1666 1 28 PRO HD3 1 106 THR HG1 . . 4.380 2.040 1.987 2.149 . 0 0 "[ . 1 . 2]" 1
1667 1 27 VAL HA 1 28 PRO HD2 . . 3.610 2.805 2.780 2.850 . 0 0 "[ . 1 . 2]" 1
1668 1 28 PRO HD2 1 111 GLY H . . 4.430 2.276 2.121 2.503 . 0 0 "[ . 1 . 2]" 1
1669 1 27 VAL HB 1 28 PRO HD2 . . 3.750 1.981 1.939 2.023 . 0 0 "[ . 1 . 2]" 1
1670 1 81 ALA HA 1 82 PRO HD3 . . 3.570 2.135 2.110 2.150 . 0 0 "[ . 1 . 2]" 1
1671 1 102 ILE HA 1 102 ILE MG . . 3.430 2.551 2.520 2.572 . 0 0 "[ . 1 . 2]" 1
1672 1 31 PRO HB3 1 102 ILE MG . . 3.890 2.964 2.698 3.138 . 0 0 "[ . 1 . 2]" 1
1673 1 31 PRO HB2 1 102 ILE MG . . 3.830 2.525 2.235 2.654 . 0 0 "[ . 1 . 2]" 1
1674 1 102 ILE MG 1 114 ALA MB . . 3.440 3.347 3.241 3.454 0.014 2 0 "[ . 1 . 2]" 1
1675 1 48 TRP HD1 1 102 ILE MG . . 4.480 2.727 2.563 2.967 . 0 0 "[ . 1 . 2]" 1
1676 1 31 PRO HD2 1 102 ILE MG . . 4.330 4.076 3.986 4.208 . 0 0 "[ . 1 . 2]" 1
1677 1 102 ILE H 1 102 ILE MG . . 3.620 3.689 3.667 3.707 0.087 5 0 "[ . 1 . 2]" 1
1678 1 102 ILE MG 1 114 ALA H . . 4.190 3.744 3.642 3.857 . 0 0 "[ . 1 . 2]" 1
1679 1 102 ILE MG 1 103 THR H . . 3.570 2.479 2.276 2.588 . 0 0 "[ . 1 . 2]" 1
1680 1 61 TYR QD 1 102 ILE MG . . 3.640 2.412 2.152 2.531 . 0 0 "[ . 1 . 2]" 1
1681 1 63 ILE HA 1 102 ILE MG . . 4.430 4.442 4.353 4.499 0.069 17 0 "[ . 1 . 2]" 1
1682 1 102 ILE MG 1 103 THR HA . . 4.370 3.214 3.178 3.276 . 0 0 "[ . 1 . 2]" 1
1683 1 31 PRO HD3 1 102 ILE MG . . 4.510 4.000 3.905 4.151 . 0 0 "[ . 1 . 2]" 1
1684 1 31 PRO HG2 1 102 ILE MG . . 3.360 2.260 2.095 2.363 . 0 0 "[ . 1 . 2]" 1
1685 1 31 PRO HG3 1 102 ILE MG . . 3.580 2.012 1.949 2.235 . 0 0 "[ . 1 . 2]" 1
1686 1 63 ILE HG13 1 102 ILE MG . . 3.660 3.249 3.037 3.392 . 0 0 "[ . 1 . 2]" 1
1687 1 102 ILE HG13 1 102 ILE MG . . 3.060 3.186 3.173 3.202 0.142 10 0 "[ . 1 . 2]" 1
1688 1 29 GLY HA3 1 30 PRO HD2 . . 3.680 2.350 2.301 2.429 . 0 0 "[ . 1 . 2]" 1
1689 1 30 PRO HD2 1 112 GLU HB2 . . 4.310 3.922 3.743 4.088 . 0 0 "[ . 1 . 2]" 1
1690 1 29 GLY HA2 1 30 PRO HD3 . . 3.670 2.415 2.306 2.496 . 0 0 "[ . 1 . 2]" 1
1691 1 29 GLY HA3 1 30 PRO HD3 . . 3.700 2.622 2.539 2.740 . 0 0 "[ . 1 . 2]" 1
1692 1 29 GLY HA2 1 30 PRO HD2 . . 3.650 3.244 3.130 3.323 . 0 0 "[ . 1 . 2]" 1
1693 1 30 PRO HD2 1 112 GLU HB3 . . 3.960 4.048 3.893 4.307 0.347 10 0 "[ . 1 . 2]" 1
1694 1 30 PRO HD3 1 112 GLU HB3 . . 3.910 2.935 2.743 3.238 . 0 0 "[ . 1 . 2]" 1
1695 1 61 TYR QD 1 80 LEU HB2 . . 4.380 4.257 4.110 4.372 . 0 0 "[ . 1 . 2]" 1
1696 1 87 TYR HA 1 87 TYR QD . . 3.720 3.052 2.814 3.268 . 0 0 "[ . 1 . 2]" 1
1697 1 80 LEU HG 1 87 TYR QD . . 4.590 3.199 2.938 3.455 . 0 0 "[ . 1 . 2]" 1
1698 1 63 ILE MG 1 87 TYR QD . . 3.980 2.538 2.286 2.780 . 0 0 "[ . 1 . 2]" 1
1699 1 48 TRP HZ3 1 87 TYR QD . . 4.570 4.169 4.045 4.336 . 0 0 "[ . 1 . 2]" 1
1700 1 36 PHE QD 1 118 VAL HB . . 3.600 3.153 3.058 3.287 . 0 0 "[ . 1 . 2]" 1
1701 1 36 PHE QD 1 118 VAL MG1 . . 4.350 3.287 3.149 3.387 . 0 0 "[ . 1 . 2]" 1
1702 1 36 PHE HZ 1 100 PHE QD . . 4.420 2.865 1.975 3.222 . 0 0 "[ . 1 . 2]" 1
1703 1 36 PHE QE 1 118 VAL HB . . 3.770 2.764 2.685 2.781 . 0 0 "[ . 1 . 2]" 1
1704 1 98 TYR HB3 1 100 PHE QE . . 4.470 2.616 2.114 4.098 . 0 0 "[ . 1 . 2]" 1
1705 1 89 ALA MB 1 100 PHE QE . . 3.960 2.126 1.951 2.560 . 0 0 "[ . 1 . 2]" 1
1706 1 98 TYR HB2 1 100 PHE QE . . 4.390 2.769 2.215 4.259 . 0 0 "[ . 1 . 2]" 1
1707 1 36 PHE HZ 1 118 VAL HB . . 4.280 2.902 2.789 2.984 . 0 0 "[ . 1 . 2]" 1
1708 1 110 TRP H 1 110 TRP HD1 . . 3.810 3.037 2.694 3.495 . 0 0 "[ . 1 . 2]" 1
1709 1 48 TRP HD1 1 61 TYR QE . . 4.540 3.361 2.975 3.712 . 0 0 "[ . 1 . 2]" 1
1710 1 48 TRP HH2 1 87 TYR HB2 . . 4.220 2.023 1.976 2.148 . 0 0 "[ . 1 . 2]" 1
1711 1 48 TRP HH2 1 87 TYR HB3 . . 4.310 3.095 2.886 3.354 . 0 0 "[ . 1 . 2]" 1
1712 1 110 TRP HA 1 110 TRP HE3 . . 3.880 3.169 3.054 3.307 . 0 0 "[ . 1 . 2]" 1
1713 1 110 TRP HB3 1 110 TRP HE3 . . 4.100 2.490 2.439 2.541 . 0 0 "[ . 1 . 2]" 1
1714 1 61 TYR QE 1 82 PRO HB3 . . 4.280 4.179 3.894 4.286 0.006 4 0 "[ . 1 . 2]" 1
1715 1 105 GLN HE22 1 110 TRP HZ2 . . 4.340 3.351 2.146 3.831 . 0 0 "[ . 1 . 2]" 1
1716 1 60 ALA MB 1 110 TRP HZ2 . . 4.090 4.060 3.917 4.112 0.022 7 0 "[ . 1 . 2]" 1
1717 1 67 LEU HB3 1 70 THR MG . . 4.210 2.318 1.952 2.855 . 0 0 "[ . 1 . 2]" 1
1718 1 34 ILE MD 1 102 ILE MG . . 3.320 3.096 2.935 3.292 . 0 0 "[ . 1 . 2]" 1
1719 1 34 ILE MD 1 114 ALA MB . . 2.710 2.439 2.322 2.607 . 0 0 "[ . 1 . 2]" 1
1720 1 31 PRO HB2 1 34 ILE MD . . 2.860 2.668 2.515 2.792 . 0 0 "[ . 1 . 2]" 1
1721 1 34 ILE MD 1 34 ILE MG . . 2.690 2.192 2.153 2.278 . 0 0 "[ . 1 . 2]" 1
1722 1 57 ILE HB 1 57 ILE MD . . 3.050 2.586 2.507 3.177 0.127 11 0 "[ . 1 . 2]" 1
1723 1 41 THR HA 1 95 GLU H . . 4.570 4.275 3.892 4.503 . 0 0 "[ . 1 . 2]" 1
1724 1 17 PRO HB2 1 18 PRO HD2 . . 3.910 2.631 2.023 3.058 . 0 0 "[ . 1 . 2]" 1
1725 1 17 PRO HB2 1 18 PRO HD3 . . 3.910 3.619 3.113 3.951 0.041 3 0 "[ . 1 . 2]" 1
1726 1 117 LEU HG 1 118 VAL H . . 4.570 4.474 4.415 4.573 0.003 18 0 "[ . 1 . 2]" 1
1727 1 93 LYS HG3 1 94 PRO HD3 . . 4.560 4.081 3.786 4.323 . 0 0 "[ . 1 . 2]" 1
1728 1 36 PHE HA 1 47 ILE H . . 4.060 3.548 3.471 3.622 . 0 0 "[ . 1 . 2]" 1
1729 1 89 ALA HA 1 90 THR MG . . 3.660 3.624 3.399 3.684 0.024 12 0 "[ . 1 . 2]" 1
1730 1 43 SER HA 1 90 THR MG . . 3.770 3.254 2.496 3.733 . 0 0 "[ . 1 . 2]" 1
1731 1 80 LEU HB2 1 80 LEU MD2 . . 3.060 3.104 3.081 3.118 0.058 13 0 "[ . 1 . 2]" 1
1732 1 80 LEU MD2 1 84 ALA MB . . 3.060 2.540 2.390 2.634 . 0 0 "[ . 1 . 2]" 1
1733 1 80 LEU HB3 1 80 LEU MD2 . . 3.140 2.048 1.997 2.085 . 0 0 "[ . 1 . 2]" 1
1734 1 60 ALA MB 1 105 GLN HE22 . . 4.340 4.171 3.530 4.362 0.022 3 0 "[ . 1 . 2]" 1
1735 1 117 LEU HB3 1 117 LEU MD1 . . 3.080 2.777 2.691 2.863 . 0 0 "[ . 1 . 2]" 1
1736 1 117 LEU HB2 1 117 LEU MD1 . . 3.020 2.167 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
1737 1 46 LEU MD1 1 100 PHE H . . 4.520 4.536 4.429 4.587 0.067 15 0 "[ . 1 . 2]" 1
1738 1 117 LEU HB3 1 117 LEU MD2 . . 2.960 2.169 2.026 2.226 . 0 0 "[ . 1 . 2]" 1
1739 1 121 THR MG 1 123 LYS QB . . 3.280 3.070 2.404 3.250 . 0 0 "[ . 1 . 2]" 1
1740 1 64 THR HB 1 101 ARG HB3 . . 4.220 4.121 4.026 4.272 0.052 17 0 "[ . 1 . 2]" 1
1741 1 61 TYR QE 1 82 PRO HA . . 3.700 2.693 2.469 2.907 . 0 0 "[ . 1 . 2]" 1
1742 1 63 ILE HB 1 78 GLU H . . 4.730 4.300 4.025 4.652 . 0 0 "[ . 1 . 2]" 1
1743 1 32 MET QG 1 49 GLN HB3 . . 3.790 3.976 3.738 4.068 0.278 5 0 "[ . 1 . 2]" 1
1744 1 65 HIS H 1 75 ALA MB . . 3.530 3.441 2.892 3.589 0.059 5 0 "[ . 1 . 2]" 1
1745 1 65 HIS HA 1 100 PHE HA . . 3.560 2.897 2.705 3.095 . 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 6
_Distance_constraint_stats_list.Viol_count 85
_Distance_constraint_stats_list.Viol_total 1181.980
_Distance_constraint_stats_list.Viol_max 1.870
_Distance_constraint_stats_list.Viol_rms 0.5556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4925
_Distance_constraint_stats_list.Viol_average_violations_only 0.6953
_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 27 VAL 0.255 0.104 13 0 "[ . 1 . 2]"
1 55 ASN 0.205 0.107 14 0 "[ . 1 . 2]"
1 56 GLY 0.205 0.107 14 0 "[ . 1 . 2]"
1 92 LEU 40.886 1.870 4 19 "[***+*****-******** *]"
1 95 GLU 16.052 1.092 8 20 [**-****+************]
1 98 TYR 40.886 1.870 4 19 "[***+*****-******** *]"
1 121 THR 17.753 1.092 8 20 [**-****+************]
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 1 121 THR H 1 121 THR HA . . 2.700 2.785 2.773 2.798 0.098 13 0 "[ . 1 . 2]" 2
2 1 95 GLU H 1 121 THR H . . 4.000 4.803 4.648 5.092 1.092 8 20 [**-****+************] 2
3 1 92 LEU HG 1 98 TYR QD . . 4.000 5.405 3.709 5.870 1.870 4 19 "[***+******-******* *]" 2
4 1 92 LEU HG 1 98 TYR QE . . 4.000 4.613 3.755 5.059 1.059 4 12 "[* *+** * - **** *]" 2
5 1 55 ASN QB 1 56 GLY H . . 4.000 3.958 3.927 4.107 0.107 14 0 "[ . 1 . 2]" 2
6 1 27 VAL H 1 27 VAL HA . . 2.800 2.737 2.676 2.904 0.104 13 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, June 3, 2024 11:17:22 AM GMT (wattos1)