NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395383 |
1rqm   |
5241 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1rqm
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 1497
_Distance_constraint_stats_list.Viol_count 1973
_Distance_constraint_stats_list.Viol_total 2216.140
_Distance_constraint_stats_list.Viol_max 0.279
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.441 0.266 20 0 "[ . 1 . 2]"
1 3 MET 1.581 0.266 20 0 "[ . 1 . 2]"
1 4 THR 1.785 0.226 8 0 "[ . 1 . 2]"
1 5 LEU 1.023 0.146 8 0 "[ . 1 . 2]"
1 6 THR 3.851 0.279 3 0 "[ . 1 . 2]"
1 7 ASP 3.252 0.279 3 0 "[ . 1 . 2]"
1 8 ALA 1.209 0.086 12 0 "[ . 1 . 2]"
1 9 ASN 4.268 0.138 14 0 "[ . 1 . 2]"
1 10 PHE 1.852 0.094 10 0 "[ . 1 . 2]"
1 11 GLN 2.063 0.154 17 0 "[ . 1 . 2]"
1 12 GLN 0.041 0.032 5 0 "[ . 1 . 2]"
1 13 ALA 1.572 0.136 5 0 "[ . 1 . 2]"
1 14 ILE 3.441 0.154 17 0 "[ . 1 . 2]"
1 15 GLN 1.228 0.158 9 0 "[ . 1 . 2]"
1 16 GLY 1.737 0.181 8 0 "[ . 1 . 2]"
1 17 ASP 2.412 0.213 2 0 "[ . 1 . 2]"
1 18 GLY 0.632 0.213 2 0 "[ . 1 . 2]"
1 19 PRO 0.074 0.058 20 0 "[ . 1 . 2]"
1 20 VAL 0.588 0.092 17 0 "[ . 1 . 2]"
1 21 LEU 0.287 0.090 10 0 "[ . 1 . 2]"
1 22 VAL 1.252 0.119 11 0 "[ . 1 . 2]"
1 23 ASP 5.742 0.254 15 0 "[ . 1 . 2]"
1 24 PHE 0.673 0.056 14 0 "[ . 1 . 2]"
1 25 TRP 2.410 0.113 17 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.024 0.023 16 0 "[ . 1 . 2]"
1 28 TRP 2.309 0.128 3 0 "[ . 1 . 2]"
1 29 CYS 1.526 0.115 9 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.189 0.034 18 0 "[ . 1 . 2]"
1 33 ARG 1.387 0.165 14 0 "[ . 1 . 2]"
1 34 MET 2.285 0.094 6 0 "[ . 1 . 2]"
1 35 MET 4.232 0.211 13 0 "[ . 1 . 2]"
1 36 ALA 1.722 0.087 8 0 "[ . 1 . 2]"
1 37 PRO 0.601 0.130 20 0 "[ . 1 . 2]"
1 38 VAL 4.374 0.211 13 0 "[ . 1 . 2]"
1 39 LEU 2.555 0.116 15 0 "[ . 1 . 2]"
1 40 GLU 0.708 0.130 20 0 "[ . 1 . 2]"
1 41 GLU 0.327 0.083 7 0 "[ . 1 . 2]"
1 42 PHE 0.735 0.113 12 0 "[ . 1 . 2]"
1 43 ALA 1.704 0.129 19 0 "[ . 1 . 2]"
1 44 GLU 1.619 0.142 7 0 "[ . 1 . 2]"
1 45 ALA 1.033 0.049 1 0 "[ . 1 . 2]"
1 46 HIS 3.739 0.239 18 0 "[ . 1 . 2]"
1 47 ALA 0.558 0.108 15 0 "[ . 1 . 2]"
1 48 ASP 0.585 0.099 2 0 "[ . 1 . 2]"
1 49 LYS 0.491 0.086 18 0 "[ . 1 . 2]"
1 50 VAL 1.273 0.136 8 0 "[ . 1 . 2]"
1 51 THR 3.677 0.148 10 0 "[ . 1 . 2]"
1 52 VAL 4.047 0.202 18 0 "[ . 1 . 2]"
1 53 ALA 4.478 0.202 18 0 "[ . 1 . 2]"
1 54 LYS 0.802 0.139 12 0 "[ . 1 . 2]"
1 55 LEU 2.333 0.254 15 0 "[ . 1 . 2]"
1 56 ASN 1.089 0.113 17 0 "[ . 1 . 2]"
1 57 VAL 1.423 0.131 18 0 "[ . 1 . 2]"
1 58 ASP 3.079 0.198 12 0 "[ . 1 . 2]"
1 59 GLU 2.729 0.195 10 0 "[ . 1 . 2]"
1 60 ASN 2.024 0.233 2 0 "[ . 1 . 2]"
1 61 PRO 0.450 0.096 13 0 "[ . 1 . 2]"
1 62 GLU 0.235 0.168 10 0 "[ . 1 . 2]"
1 63 THR 2.910 0.191 2 0 "[ . 1 . 2]"
1 64 THR 2.559 0.153 3 0 "[ . 1 . 2]"
1 65 SER 0.083 0.034 5 0 "[ . 1 . 2]"
1 66 GLN 1.131 0.083 12 0 "[ . 1 . 2]"
1 67 PHE 0.832 0.083 12 0 "[ . 1 . 2]"
1 68 GLY 0.505 0.059 7 0 "[ . 1 . 2]"
1 69 ILE 0.152 0.090 17 0 "[ . 1 . 2]"
1 70 MET 0.393 0.090 17 0 "[ . 1 . 2]"
1 71 SER 0.718 0.109 7 0 "[ . 1 . 2]"
1 72 ILE 2.374 0.150 5 0 "[ . 1 . 2]"
1 73 PRO 0.639 0.071 15 0 "[ . 1 . 2]"
1 74 THR 1.626 0.150 5 0 "[ . 1 . 2]"
1 75 LEU 1.999 0.085 6 0 "[ . 1 . 2]"
1 76 ILE 2.138 0.119 11 0 "[ . 1 . 2]"
1 77 LEU 1.699 0.146 2 0 "[ . 1 . 2]"
1 78 PHE 1.095 0.084 20 0 "[ . 1 . 2]"
1 79 LYS 0.474 0.077 7 0 "[ . 1 . 2]"
1 80 GLY 0.479 0.122 4 0 "[ . 1 . 2]"
1 81 GLY 0.353 0.182 14 0 "[ . 1 . 2]"
1 82 GLU 0.998 0.214 14 0 "[ . 1 . 2]"
1 83 PRO 0.004 0.004 17 0 "[ . 1 . 2]"
1 84 VAL 2.983 0.177 15 0 "[ . 1 . 2]"
1 85 LYS 1.625 0.177 15 0 "[ . 1 . 2]"
1 86 GLN 0.466 0.069 19 0 "[ . 1 . 2]"
1 87 LEU 0.594 0.078 1 0 "[ . 1 . 2]"
1 88 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 1.556 0.073 4 0 "[ . 1 . 2]"
1 91 GLN 1.519 0.121 9 0 "[ . 1 . 2]"
1 92 PRO 0.007 0.007 11 0 "[ . 1 . 2]"
1 93 LYS 1.957 0.248 7 0 "[ . 1 . 2]"
1 94 GLU 1.679 0.248 7 0 "[ . 1 . 2]"
1 95 GLN 5.477 0.215 6 0 "[ . 1 . 2]"
1 96 LEU 8.041 0.215 6 0 "[ . 1 . 2]"
1 97 GLU 1.721 0.205 19 0 "[ . 1 . 2]"
1 98 ALA 3.467 0.157 4 0 "[ . 1 . 2]"
1 99 GLN 3.446 0.142 8 0 "[ . 1 . 2]"
1 100 LEU 2.508 0.206 15 0 "[ . 1 . 2]"
1 101 ALA 2.404 0.176 17 0 "[ . 1 . 2]"
1 102 ASP 1.548 0.116 10 0 "[ . 1 . 2]"
1 103 VAL 1.392 0.216 8 0 "[ . 1 . 2]"
1 104 LEU 4.306 0.176 17 0 "[ . 1 . 2]"
1 105 GLN 2.695 0.123 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA MB 1 50 VAL QG . . 9.120 5.094 3.476 5.680 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 52 VAL H . . 6.530 4.376 1.934 5.513 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR H 1 2 THR HB . . 4.170 2.996 2.423 3.901 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR HA 1 3 MET H . . 3.110 2.524 2.200 3.376 0.266 20 0 "[ . 1 . 2]" 1
5 1 2 THR MG 1 3 MET H . . 5.910 2.730 1.838 4.207 . 0 0 "[ . 1 . 2]" 1
6 1 2 THR MG 1 5 LEU QD . . 9.130 4.937 1.996 5.674 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET HA . . 2.900 2.781 2.163 2.979 0.079 9 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET QB . . 3.830 2.843 2.359 3.354 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 3 MET HG2 . . 5.500 4.422 2.849 5.079 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET H 1 3 MET QG . . 5.070 3.788 2.433 4.278 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET H 1 3 MET HG3 . . 5.500 4.272 2.470 5.199 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET H 1 52 VAL H . . 5.500 4.995 4.283 5.585 0.085 9 0 "[ . 1 . 2]" 1
13 1 3 MET H 1 53 ALA HA . . 3.670 3.016 2.215 3.765 0.095 15 0 "[ . 1 . 2]" 1
14 1 3 MET H 1 53 ALA MB . . 5.970 3.365 2.718 4.533 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET HA 1 4 THR H . . 3.080 2.741 2.202 3.306 0.226 8 0 "[ . 1 . 2]" 1
16 1 3 MET QB 1 53 ALA HA . . 6.380 4.631 3.339 5.749 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET QG 1 4 THR H . . 5.010 3.041 1.860 4.486 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET HG2 1 4 THR H . . 5.500 3.430 1.870 5.148 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HG3 1 4 THR H . . 5.500 3.766 2.131 5.361 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR H 1 4 THR HB . . 2.900 2.653 2.425 2.948 0.048 13 0 "[ . 1 . 2]" 1
21 1 4 THR H 1 5 LEU QD . . 8.100 4.775 3.459 5.825 . 0 0 "[ . 1 . 2]" 1
22 1 4 THR H 1 53 ALA MB . . 6.530 4.638 3.252 5.462 . 0 0 "[ . 1 . 2]" 1
23 1 4 THR HA 1 4 THR HB . . 2.960 3.008 2.825 3.026 0.066 4 0 "[ . 1 . 2]" 1
24 1 4 THR HA 1 4 THR MG . . 3.550 2.409 2.283 3.046 . 0 0 "[ . 1 . 2]" 1
25 1 4 THR HA 1 5 LEU H . . 2.740 2.345 2.111 2.695 . 0 0 "[ . 1 . 2]" 1
26 1 4 THR HA 1 54 LYS H . . 3.520 2.797 2.180 3.461 . 0 0 "[ . 1 . 2]" 1
27 1 4 THR HB 1 5 LEU H . . 5.500 3.922 3.548 4.465 . 0 0 "[ . 1 . 2]" 1
28 1 4 THR MG 1 5 LEU H . . 4.570 2.475 1.871 3.713 . 0 0 "[ . 1 . 2]" 1
29 1 4 THR MG 1 5 LEU HA . . 6.120 4.055 3.473 4.638 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR MG 1 55 LEU HA . . 6.530 3.737 2.967 4.619 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU H 1 5 LEU QB . . 3.560 2.484 2.034 3.083 . 0 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 5 LEU HG . . 5.500 4.153 2.169 4.781 . 0 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 53 ALA MB . . 5.720 3.636 2.035 4.477 . 0 0 "[ . 1 . 2]" 1
34 1 5 LEU H 1 54 LYS H . . 4.040 3.631 2.843 4.063 0.023 18 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 5 LEU QD . . 4.030 2.254 2.017 3.329 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 5 LEU HG . . 4.070 2.884 2.522 3.773 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 6 THR H . . 2.430 2.470 2.345 2.576 0.146 8 0 "[ . 1 . 2]" 1
38 1 5 LEU QB 1 6 THR H . . 4.210 2.781 2.138 3.507 . 0 0 "[ . 1 . 2]" 1
39 1 5 LEU HB2 1 6 THR H . . 4.720 3.854 2.359 4.216 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HB3 1 6 THR H . . 4.720 2.937 2.168 3.947 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU QD 1 6 THR H . . 5.410 3.237 2.099 3.881 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU QD 1 7 ASP H . . 8.100 5.399 4.372 6.151 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU QD 1 9 ASN H . . 8.100 4.447 3.651 4.929 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU QD 1 9 ASN QB . . 8.980 2.489 2.008 3.484 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU QD 1 10 PHE H . . 8.100 3.528 2.598 3.927 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU QD 1 10 PHE QD . . 6.540 2.660 2.126 3.307 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU QD 1 10 PHE QE . . 8.890 3.855 2.855 4.277 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU QD 1 11 GLN H . . 8.100 4.667 4.045 4.872 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU QD 1 13 ALA HA . . 8.040 4.308 3.853 5.193 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QD 1 13 ALA MB . . 5.340 2.140 1.860 2.823 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU QD 1 14 ILE MG . . 9.130 3.670 2.886 5.249 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU QD 1 22 VAL QG . . 10.380 2.200 1.914 2.558 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU QD 1 53 ALA HA . . 6.270 3.947 2.889 4.675 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU QD 1 54 LYS H . . 8.100 4.095 3.096 5.149 . 0 0 "[ . 1 . 2]" 1
55 1 5 LEU QD 1 55 LEU QD . . 10.700 2.172 1.948 2.548 . 0 0 "[ . 1 . 2]" 1
56 1 5 LEU QD 1 60 ASN QB . . 8.050 5.097 4.660 5.374 . 0 0 "[ . 1 . 2]" 1
57 1 5 LEU MD1 1 6 THR H . . 6.530 3.758 2.533 4.775 . 0 0 "[ . 1 . 2]" 1
58 1 5 LEU MD1 1 10 PHE QD . . 6.790 4.087 2.473 5.247 . 0 0 "[ . 1 . 2]" 1
59 1 5 LEU MD1 1 13 ALA MB . . 6.190 2.456 2.039 3.705 . 0 0 "[ . 1 . 2]" 1
60 1 5 LEU MD1 1 53 ALA HA . . 6.530 4.281 3.428 5.233 . 0 0 "[ . 1 . 2]" 1
61 1 5 LEU MD1 1 53 ALA MB . . 6.190 2.050 1.915 2.650 . 0 0 "[ . 1 . 2]" 1
62 1 5 LEU MD1 1 60 ASN HB2 . . 9.670 7.057 5.739 8.141 . 0 0 "[ . 1 . 2]" 1
63 1 5 LEU MD1 1 60 ASN HB3 . . 9.670 7.286 6.092 8.160 . 0 0 "[ . 1 . 2]" 1
64 1 5 LEU MD2 1 6 THR H . . 6.530 3.756 2.108 4.359 . 0 0 "[ . 1 . 2]" 1
65 1 5 LEU MD2 1 10 PHE QD . . 6.790 3.183 2.133 5.004 . 0 0 "[ . 1 . 2]" 1
66 1 5 LEU MD2 1 13 ALA MB . . 6.190 2.682 1.923 4.009 . 0 0 "[ . 1 . 2]" 1
67 1 5 LEU MD2 1 53 ALA HA . . 6.530 4.714 2.966 5.489 . 0 0 "[ . 1 . 2]" 1
68 1 5 LEU MD2 1 53 ALA MB . . 6.190 2.411 1.875 3.302 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU MD2 1 60 ASN HB2 . . 9.670 6.233 5.500 7.155 . 0 0 "[ . 1 . 2]" 1
70 1 5 LEU MD2 1 60 ASN HB3 . . 9.670 6.436 5.137 8.047 . 0 0 "[ . 1 . 2]" 1
71 1 6 THR H 1 7 ASP H . . 3.790 3.482 1.804 4.069 0.279 3 0 "[ . 1 . 2]" 1
72 1 6 THR H 1 8 ALA MB . . 6.530 5.337 5.167 5.421 . 0 0 "[ . 1 . 2]" 1
73 1 6 THR H 1 9 ASN H . . 4.540 3.329 3.045 3.544 . 0 0 "[ . 1 . 2]" 1
74 1 6 THR H 1 10 PHE H . . 4.850 3.465 2.936 4.003 . 0 0 "[ . 1 . 2]" 1
75 1 6 THR H 1 10 PHE QB . . 6.380 3.949 3.065 4.799 . 0 0 "[ . 1 . 2]" 1
76 1 6 THR HA 1 9 ASN H . . 5.310 5.104 4.635 5.448 0.138 14 0 "[ . 1 . 2]" 1
77 1 6 THR MG 1 8 ALA H . . 6.530 4.045 2.621 5.476 . 0 0 "[ . 1 . 2]" 1
78 1 7 ASP H 1 7 ASP QB . . 3.460 2.595 2.206 3.234 . 0 0 "[ . 1 . 2]" 1
79 1 7 ASP H 1 8 ALA H . . 3.170 2.883 2.454 3.256 0.086 12 0 "[ . 1 . 2]" 1
80 1 7 ASP H 1 8 ALA MB . . 6.530 4.320 3.718 4.875 . 0 0 "[ . 1 . 2]" 1
81 1 7 ASP H 1 55 LEU QB . . 6.320 5.479 4.600 5.779 . 0 0 "[ . 1 . 2]" 1
82 1 7 ASP HA 1 10 PHE H . . 3.610 3.500 2.954 3.704 0.094 10 0 "[ . 1 . 2]" 1
83 1 7 ASP HA 1 10 PHE HB2 . . 3.420 3.115 2.268 3.477 0.057 7 0 "[ . 1 . 2]" 1
84 1 7 ASP HA 1 10 PHE QB . . 3.200 2.768 1.883 3.008 . 0 0 "[ . 1 . 2]" 1
85 1 7 ASP HA 1 10 PHE HB3 . . 3.420 3.184 2.012 3.508 0.088 11 0 "[ . 1 . 2]" 1
86 1 7 ASP QB 1 8 ALA H . . 4.460 2.571 1.983 3.210 . 0 0 "[ . 1 . 2]" 1
87 1 7 ASP QB 1 10 PHE H . . 5.950 4.835 4.422 5.037 . 0 0 "[ . 1 . 2]" 1
88 1 7 ASP QB 1 60 ASN HA . . 6.380 3.141 2.108 4.479 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASP QB 1 61 PRO QD . . 6.320 3.469 2.591 4.808 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASP QB 1 62 GLU QB . . 5.480 3.235 2.118 4.373 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASP HB2 1 61 PRO HD2 . . 7.250 4.093 2.645 5.651 . 0 0 "[ . 1 . 2]" 1
92 1 7 ASP HB2 1 61 PRO HD3 . . 7.250 5.651 4.137 7.273 0.023 7 0 "[ . 1 . 2]" 1
93 1 7 ASP HB3 1 61 PRO HD2 . . 7.250 4.228 3.256 5.758 . 0 0 "[ . 1 . 2]" 1
94 1 7 ASP HB3 1 61 PRO HD3 . . 7.250 5.785 4.557 7.281 0.031 3 0 "[ . 1 . 2]" 1
95 1 8 ALA H 1 8 ALA HA . . 2.860 2.822 2.754 2.871 0.011 9 0 "[ . 1 . 2]" 1
96 1 8 ALA H 1 9 ASN H . . 2.830 2.774 2.527 2.871 0.041 14 0 "[ . 1 . 2]" 1
97 1 8 ALA HA 1 9 ASN H . . 3.480 3.514 3.446 3.547 0.067 9 0 "[ . 1 . 2]" 1
98 1 8 ALA HA 1 11 GLN QB . . 4.490 3.669 3.073 4.120 . 0 0 "[ . 1 . 2]" 1
99 1 8 ALA MB 1 9 ASN H . . 4.230 2.708 2.492 3.059 . 0 0 "[ . 1 . 2]" 1
100 1 8 ALA MB 1 10 PHE H . . 6.530 4.404 4.279 4.637 . 0 0 "[ . 1 . 2]" 1
101 1 9 ASN H 1 9 ASN HB2 . . 3.480 2.489 2.167 2.906 . 0 0 "[ . 1 . 2]" 1
102 1 9 ASN H 1 9 ASN HB3 . . 3.480 2.990 2.604 3.596 0.116 6 0 "[ . 1 . 2]" 1
103 1 9 ASN H 1 10 PHE H . . 2.400 2.412 2.086 2.485 0.085 4 0 "[ . 1 . 2]" 1
104 1 9 ASN H 1 10 PHE HA . . 5.070 5.040 4.738 5.109 0.039 7 0 "[ . 1 . 2]" 1
105 1 9 ASN H 1 10 PHE QB . . 5.510 4.152 3.771 4.324 . 0 0 "[ . 1 . 2]" 1
106 1 9 ASN H 1 11 GLN H . . 5.500 4.496 4.063 4.796 . 0 0 "[ . 1 . 2]" 1
107 1 9 ASN HA 1 9 ASN HB2 . . 2.930 2.689 2.448 3.014 0.084 5 0 "[ . 1 . 2]" 1
108 1 9 ASN HA 1 9 ASN QB . . 2.650 2.409 2.329 2.513 . 0 0 "[ . 1 . 2]" 1
109 1 9 ASN HA 1 9 ASN HB3 . . 2.930 2.846 2.423 3.004 0.074 7 0 "[ . 1 . 2]" 1
110 1 9 ASN HA 1 12 GLN H . . 4.540 3.195 2.808 3.626 . 0 0 "[ . 1 . 2]" 1
111 1 9 ASN HA 1 12 GLN QB . . 5.420 2.230 1.952 2.767 . 0 0 "[ . 1 . 2]" 1
112 1 9 ASN QB 1 13 ALA H . . 5.570 4.731 3.891 5.008 . 0 0 "[ . 1 . 2]" 1
113 1 10 PHE H 1 10 PHE HB2 . . 2.960 2.469 2.177 2.713 . 0 0 "[ . 1 . 2]" 1
114 1 10 PHE H 1 10 PHE QB . . 2.760 2.223 2.102 2.304 . 0 0 "[ . 1 . 2]" 1
115 1 10 PHE H 1 10 PHE HB3 . . 2.960 2.585 2.384 2.944 . 0 0 "[ . 1 . 2]" 1
116 1 10 PHE H 1 11 GLN H . . 3.480 2.789 2.483 3.009 . 0 0 "[ . 1 . 2]" 1
117 1 10 PHE H 1 12 GLN H . . 4.350 4.016 3.639 4.382 0.032 5 0 "[ . 1 . 2]" 1
118 1 10 PHE H 1 13 ALA MB . . 6.530 4.817 4.627 5.021 . 0 0 "[ . 1 . 2]" 1
119 1 10 PHE HA 1 13 ALA H . . 5.160 3.688 3.253 4.441 . 0 0 "[ . 1 . 2]" 1
120 1 10 PHE HA 1 13 ALA MB . . 5.750 3.067 2.465 4.418 . 0 0 "[ . 1 . 2]" 1
121 1 10 PHE HA 1 14 ILE H . . 4.510 4.089 3.763 4.590 0.080 5 0 "[ . 1 . 2]" 1
122 1 10 PHE QB 1 11 GLN H . . 4.230 2.377 2.054 3.505 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE QB 1 14 ILE MD . . 7.410 4.872 4.008 5.479 . 0 0 "[ . 1 . 2]" 1
124 1 10 PHE HB2 1 11 GLN H . . 4.790 3.722 3.463 4.270 . 0 0 "[ . 1 . 2]" 1
125 1 10 PHE HB3 1 11 GLN H . . 4.790 2.417 2.068 3.724 . 0 0 "[ . 1 . 2]" 1
126 1 10 PHE QD 1 11 GLN H . . 7.560 3.539 2.828 4.809 . 0 0 "[ . 1 . 2]" 1
127 1 10 PHE QD 1 11 GLN HA . . 7.250 3.650 2.850 4.595 . 0 0 "[ . 1 . 2]" 1
128 1 10 PHE QD 1 14 ILE MD . . 7.410 3.412 2.396 4.530 . 0 0 "[ . 1 . 2]" 1
129 1 10 PHE QD 1 14 ILE MG . . 8.650 3.327 2.118 5.555 . 0 0 "[ . 1 . 2]" 1
130 1 10 PHE QD 1 55 LEU QD . . 10.220 2.386 1.973 3.402 . 0 0 "[ . 1 . 2]" 1
131 1 10 PHE QD 1 69 ILE MG . . 8.650 6.320 6.154 6.595 . 0 0 "[ . 1 . 2]" 1
132 1 10 PHE QE 1 11 GLN HA . . 7.620 5.059 4.381 6.331 . 0 0 "[ . 1 . 2]" 1
133 1 10 PHE QE 1 14 ILE MD . . 7.440 2.951 2.179 4.202 . 0 0 "[ . 1 . 2]" 1
134 1 10 PHE QE 1 14 ILE MG . . 8.650 3.090 2.203 5.549 . 0 0 "[ . 1 . 2]" 1
135 1 10 PHE QE 1 53 ALA MB . . 8.650 5.881 5.242 6.415 . 0 0 "[ . 1 . 2]" 1
136 1 10 PHE QE 1 55 LEU QD . . 10.220 2.790 2.108 3.990 . 0 0 "[ . 1 . 2]" 1
137 1 10 PHE QE 1 62 GLU QB . . 8.500 5.575 3.693 6.997 . 0 0 "[ . 1 . 2]" 1
138 1 10 PHE QE 1 76 ILE QG . . 8.500 5.630 4.990 6.779 . 0 0 "[ . 1 . 2]" 1
139 1 10 PHE QE 1 78 PHE QE . . 9.000 3.127 2.511 3.907 . 0 0 "[ . 1 . 2]" 1
140 1 10 PHE QE 1 78 PHE HZ . . 7.620 3.229 2.462 3.884 . 0 0 "[ . 1 . 2]" 1
141 1 10 PHE HZ 1 78 PHE QE . . 7.310 2.965 2.221 3.531 . 0 0 "[ . 1 . 2]" 1
142 1 10 PHE HZ 1 78 PHE HZ . . 4.970 2.628 2.188 3.554 . 0 0 "[ . 1 . 2]" 1
143 1 11 GLN H 1 11 GLN QB . . 3.900 2.302 2.118 2.605 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLN H 1 12 GLN H . . 4.140 2.747 2.044 2.967 . 0 0 "[ . 1 . 2]" 1
145 1 11 GLN HA 1 14 ILE H . . 4.170 3.493 3.262 3.704 . 0 0 "[ . 1 . 2]" 1
146 1 11 GLN HA 1 14 ILE HB . . 4.660 4.659 3.478 4.814 0.154 17 0 "[ . 1 . 2]" 1
147 1 11 GLN HA 1 14 ILE MD . . 4.390 2.861 2.308 3.660 . 0 0 "[ . 1 . 2]" 1
148 1 11 GLN HA 1 14 ILE MG . . 6.530 3.825 2.120 4.726 . 0 0 "[ . 1 . 2]" 1
149 1 11 GLN HA 1 15 GLN H . . 5.500 4.085 3.547 5.181 . 0 0 "[ . 1 . 2]" 1
150 1 11 GLN QG 1 12 GLN H . . 6.380 4.212 3.995 4.511 . 0 0 "[ . 1 . 2]" 1
151 1 11 GLN QG 1 13 ALA H . . 6.380 5.644 5.288 5.778 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLN QG 1 63 THR HB . . 6.380 4.990 3.878 5.764 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLN H 1 12 GLN QB . . 3.740 2.286 2.140 2.480 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLN H 1 13 ALA H . . 3.080 2.836 2.680 2.987 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLN H 1 13 ALA MB . . 6.530 4.529 4.346 4.660 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLN H 1 14 ILE H . . 5.100 4.483 4.181 4.631 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLN HA 1 15 GLN QB . . 4.150 3.436 2.840 3.692 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLN QB 1 13 ALA H . . 4.080 2.909 2.468 3.383 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN QG 1 13 ALA H . . 6.380 4.197 3.454 4.710 . 0 0 "[ . 1 . 2]" 1
160 1 13 ALA H 1 13 ALA HA . . 2.800 2.877 2.789 2.936 0.136 5 0 "[ . 1 . 2]" 1
161 1 13 ALA H 1 14 ILE H . . 2.960 2.615 2.093 2.961 0.001 7 0 "[ . 1 . 2]" 1
162 1 13 ALA H 1 14 ILE MG . . 6.530 4.317 3.876 5.520 . 0 0 "[ . 1 . 2]" 1
163 1 13 ALA H 1 15 GLN H . . 5.130 4.228 3.836 5.152 0.022 5 0 "[ . 1 . 2]" 1
164 1 13 ALA MB 1 20 VAL MG1 . . 7.370 2.692 2.160 3.803 . 0 0 "[ . 1 . 2]" 1
165 1 13 ALA MB 1 20 VAL QG . . 6.520 2.462 1.992 3.463 . 0 0 "[ . 1 . 2]" 1
166 1 13 ALA MB 1 20 VAL MG2 . . 7.370 3.117 2.108 4.087 . 0 0 "[ . 1 . 2]" 1
167 1 14 ILE H 1 14 ILE HB . . 3.890 3.548 2.184 3.718 . 0 0 "[ . 1 . 2]" 1
168 1 14 ILE H 1 14 ILE MD . . 5.600 3.892 2.463 4.154 . 0 0 "[ . 1 . 2]" 1
169 1 14 ILE H 1 14 ILE MG . . 4.730 2.377 2.131 3.592 . 0 0 "[ . 1 . 2]" 1
170 1 14 ILE H 1 15 GLN H . . 3.420 2.882 2.703 3.236 . 0 0 "[ . 1 . 2]" 1
171 1 14 ILE HA 1 14 ILE HB . . 2.860 2.461 2.322 2.906 0.046 11 0 "[ . 1 . 2]" 1
172 1 14 ILE HA 1 15 GLN H . . 3.390 3.429 3.303 3.465 0.075 20 0 "[ . 1 . 2]" 1
173 1 14 ILE HA 1 20 VAL H . . 5.500 5.314 4.631 5.592 0.092 17 0 "[ . 1 . 2]" 1
174 1 14 ILE HA 1 20 VAL QG . . 5.760 2.258 1.886 3.344 . 0 0 "[ . 1 . 2]" 1
175 1 14 ILE HB 1 15 GLN H . . 5.410 3.852 2.231 4.412 . 0 0 "[ . 1 . 2]" 1
176 1 14 ILE HB 1 78 PHE HB2 . . 5.500 3.493 2.701 5.223 . 0 0 "[ . 1 . 2]" 1
177 1 14 ILE HB 1 78 PHE QB . . 4.880 2.865 2.175 4.429 . 0 0 "[ . 1 . 2]" 1
178 1 14 ILE HB 1 78 PHE HB3 . . 5.500 3.095 2.282 5.163 . 0 0 "[ . 1 . 2]" 1
179 1 14 ILE HB 1 81 GLY QA . . 5.570 3.328 2.100 4.664 . 0 0 "[ . 1 . 2]" 1
180 1 14 ILE MD 1 15 GLN H . . 6.530 4.165 2.925 5.093 . 0 0 "[ . 1 . 2]" 1
181 1 14 ILE MD 1 81 GLY HA2 . . 6.530 2.899 2.184 4.094 . 0 0 "[ . 1 . 2]" 1
182 1 14 ILE MD 1 81 GLY HA3 . . 6.530 4.136 3.147 5.504 . 0 0 "[ . 1 . 2]" 1
183 1 14 ILE MD 1 82 GLU H . . 6.530 5.079 4.361 5.398 . 0 0 "[ . 1 . 2]" 1
184 1 14 ILE QG 1 15 GLN H . . 6.380 2.649 1.658 4.390 . 0 0 "[ . 1 . 2]" 1
185 1 14 ILE MG 1 15 GLN H . . 6.530 4.070 2.429 4.403 . 0 0 "[ . 1 . 2]" 1
186 1 14 ILE MG 1 20 VAL HB . . 6.370 3.403 2.451 5.478 . 0 0 "[ . 1 . 2]" 1
187 1 14 ILE MG 1 20 VAL QG . . 9.120 2.267 1.828 3.913 . 0 0 "[ . 1 . 2]" 1
188 1 14 ILE MG 1 22 VAL QG . . 9.120 3.159 2.070 5.653 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLN H 1 16 GLY H . . 3.330 3.002 2.660 3.488 0.158 9 0 "[ . 1 . 2]" 1
190 1 15 GLN HA 1 15 GLN HB2 . . 2.830 2.396 2.239 2.483 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLN HA 1 15 GLN QB . . 2.570 2.158 2.125 2.186 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLN HA 1 15 GLN HB3 . . 2.830 2.459 2.373 2.645 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLN HB2 1 16 GLY H . . 4.660 4.179 3.862 4.601 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLN HB3 1 16 GLY H . . 4.660 4.242 3.975 4.450 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLY H 1 17 ASP H . . 4.540 4.170 3.359 4.629 0.089 13 0 "[ . 1 . 2]" 1
196 1 16 GLY H 1 20 VAL QG . . 8.090 3.737 2.369 5.029 . 0 0 "[ . 1 . 2]" 1
197 1 16 GLY QA 1 18 GLY H . . 5.700 3.780 3.105 5.009 . 0 0 "[ . 1 . 2]" 1
198 1 16 GLY HA2 1 17 ASP H . . 3.020 2.368 1.956 3.125 0.105 19 0 "[ . 1 . 2]" 1
199 1 16 GLY HA3 1 17 ASP H . . 3.020 2.790 1.971 3.201 0.181 8 0 "[ . 1 . 2]" 1
200 1 17 ASP H 1 17 ASP QB . . 3.600 2.625 2.175 3.099 . 0 0 "[ . 1 . 2]" 1
201 1 17 ASP H 1 18 GLY H . . 3.240 2.834 2.204 3.453 0.213 2 0 "[ . 1 . 2]" 1
202 1 17 ASP QB 1 80 GLY QA . . 6.320 4.633 3.374 5.063 . 0 0 "[ . 1 . 2]" 1
203 1 17 ASP HB2 1 80 GLY HA2 . . 7.250 5.650 3.651 6.596 . 0 0 "[ . 1 . 2]" 1
204 1 17 ASP HB2 1 80 GLY HA3 . . 7.250 6.515 4.292 7.372 0.122 4 0 "[ . 1 . 2]" 1
205 1 17 ASP HB3 1 80 GLY HA2 . . 7.250 5.631 4.301 6.712 . 0 0 "[ . 1 . 2]" 1
206 1 17 ASP HB3 1 80 GLY HA3 . . 7.250 6.483 5.280 7.256 0.006 17 0 "[ . 1 . 2]" 1
207 1 19 PRO HA 1 20 VAL H . . 2.400 2.247 2.149 2.458 0.058 20 0 "[ . 1 . 2]" 1
208 1 19 PRO HA 1 79 LYS HB2 . . 5.500 4.468 3.442 5.177 . 0 0 "[ . 1 . 2]" 1
209 1 19 PRO HA 1 79 LYS QB . . 5.250 3.035 2.252 3.681 . 0 0 "[ . 1 . 2]" 1
210 1 19 PRO HA 1 79 LYS HB3 . . 5.500 3.102 2.268 3.817 . 0 0 "[ . 1 . 2]" 1
211 1 19 PRO HA 1 103 VAL QG . . 8.090 3.416 2.053 5.085 . 0 0 "[ . 1 . 2]" 1
212 1 19 PRO QB 1 77 LEU QD . . 6.590 2.579 1.977 3.783 . 0 0 "[ . 1 . 2]" 1
213 1 19 PRO QB 1 103 VAL QG . . 8.500 2.248 1.822 4.007 . 0 0 "[ . 1 . 2]" 1
214 1 19 PRO QB 1 104 LEU QD . . 6.040 3.831 3.488 3.951 . 0 0 "[ . 1 . 2]" 1
215 1 19 PRO HB2 1 77 LEU QD . . 7.010 3.032 2.192 4.376 . 0 0 "[ . 1 . 2]" 1
216 1 19 PRO HB2 1 104 LEU MD1 . . 7.130 4.569 4.372 4.949 . 0 0 "[ . 1 . 2]" 1
217 1 19 PRO HB2 1 104 LEU MD2 . . 7.130 4.780 3.866 5.339 . 0 0 "[ . 1 . 2]" 1
218 1 19 PRO HB3 1 77 LEU QD . . 7.010 2.835 2.240 4.269 . 0 0 "[ . 1 . 2]" 1
219 1 19 PRO HB3 1 104 LEU MD1 . . 7.130 5.214 4.676 5.749 . 0 0 "[ . 1 . 2]" 1
220 1 19 PRO HB3 1 104 LEU MD2 . . 7.130 5.227 4.537 5.661 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL H 1 20 VAL HB . . 2.860 2.357 2.153 2.632 . 0 0 "[ . 1 . 2]" 1
222 1 20 VAL H 1 20 VAL QG . . 4.100 2.606 2.399 2.793 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL H 1 78 PHE H . . 3.450 3.324 2.989 3.534 0.084 20 0 "[ . 1 . 2]" 1
224 1 20 VAL HA 1 21 LEU H . . 2.520 2.202 2.071 2.298 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL HA 1 51 THR H . . 4.880 3.027 2.627 3.285 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL HB 1 21 LEU H . . 5.500 4.251 3.941 4.532 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL HB 1 51 THR MG . . 5.600 4.243 2.871 4.625 . 0 0 "[ . 1 . 2]" 1
228 1 20 VAL HB 1 78 PHE QB . . 4.360 2.498 2.049 3.662 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL HB 1 79 LYS QE . . 6.380 5.619 5.279 5.844 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL QG 1 21 LEU H . . 4.380 2.635 2.353 3.205 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL QG 1 21 LEU HA . . 8.090 3.525 3.009 4.032 . 0 0 "[ . 1 . 2]" 1
232 1 20 VAL QG 1 22 VAL H . . 6.880 4.205 3.320 4.531 . 0 0 "[ . 1 . 2]" 1
233 1 20 VAL QG 1 51 THR H . . 5.400 3.935 3.515 4.113 . 0 0 "[ . 1 . 2]" 1
234 1 20 VAL QG 1 51 THR HA . . 7.530 4.761 4.092 5.165 . 0 0 "[ . 1 . 2]" 1
235 1 20 VAL QG 1 51 THR MG . . 9.120 2.042 1.886 2.273 . 0 0 "[ . 1 . 2]" 1
236 1 20 VAL QG 1 53 ALA H . . 7.280 4.696 3.862 5.044 . 0 0 "[ . 1 . 2]" 1
237 1 20 VAL QG 1 53 ALA MB . . 8.090 3.594 2.508 4.566 . 0 0 "[ . 1 . 2]" 1
238 1 20 VAL QG 1 55 LEU QD . . 10.690 5.293 5.081 5.557 . 0 0 "[ . 1 . 2]" 1
239 1 20 VAL QG 1 78 PHE QD . . 9.990 2.989 2.089 3.704 . 0 0 "[ . 1 . 2]" 1
240 1 20 VAL QG 1 79 LYS HA . . 8.090 3.645 3.111 4.504 . 0 0 "[ . 1 . 2]" 1
241 1 20 VAL MG1 1 21 LEU H . . 4.760 2.722 2.369 3.381 . 0 0 "[ . 1 . 2]" 1
242 1 20 VAL MG1 1 51 THR H . . 6.530 4.932 4.444 5.425 . 0 0 "[ . 1 . 2]" 1
243 1 20 VAL MG2 1 21 LEU H . . 4.760 3.892 2.666 4.035 . 0 0 "[ . 1 . 2]" 1
244 1 20 VAL MG2 1 51 THR H . . 6.530 4.145 3.669 4.382 . 0 0 "[ . 1 . 2]" 1
245 1 21 LEU H 1 51 THR H . . 4.910 3.916 3.346 4.520 . 0 0 "[ . 1 . 2]" 1
246 1 21 LEU H 1 52 VAL HA . . 3.270 2.773 2.232 3.279 0.009 1 0 "[ . 1 . 2]" 1
247 1 21 LEU H 1 52 VAL QG . . 8.090 4.096 3.781 4.585 . 0 0 "[ . 1 . 2]" 1
248 1 21 LEU HA 1 22 VAL H . . 2.400 2.220 2.056 2.402 0.002 2 0 "[ . 1 . 2]" 1
249 1 21 LEU HA 1 22 VAL QG . . 8.090 3.656 2.822 4.388 . 0 0 "[ . 1 . 2]" 1
250 1 21 LEU HA 1 76 ILE H . . 4.570 4.496 4.133 4.660 0.090 10 0 "[ . 1 . 2]" 1
251 1 21 LEU HA 1 77 LEU HA . . 3.050 2.413 2.120 3.030 . 0 0 "[ . 1 . 2]" 1
252 1 21 LEU HA 1 77 LEU QD . . 6.830 3.705 2.260 4.398 . 0 0 "[ . 1 . 2]" 1
253 1 21 LEU HA 1 78 PHE H . . 4.320 3.405 3.007 3.897 . 0 0 "[ . 1 . 2]" 1
254 1 21 LEU QB 1 22 VAL H . . 6.380 3.199 2.284 4.005 . 0 0 "[ . 1 . 2]" 1
255 1 21 LEU QD 1 39 LEU QD . . 9.730 3.684 2.732 4.521 . 0 0 "[ . 1 . 2]" 1
256 1 21 LEU QD 1 42 PHE QD . . 7.460 3.204 2.503 4.259 . 0 0 "[ . 1 . 2]" 1
257 1 21 LEU QD 1 42 PHE QE . . 6.630 2.146 1.929 2.688 . 0 0 "[ . 1 . 2]" 1
258 1 21 LEU QD 1 75 LEU HA . . 7.010 4.287 3.210 5.341 . 0 0 "[ . 1 . 2]" 1
259 1 21 LEU QD 1 75 LEU QD . . 9.670 1.927 1.794 2.183 . 0 0 "[ . 1 . 2]" 1
260 1 21 LEU QD 1 77 LEU HA . . 7.420 3.521 2.030 4.522 . 0 0 "[ . 1 . 2]" 1
261 1 21 LEU QD 1 77 LEU QB . . 6.930 3.416 2.170 4.345 . 0 0 "[ . 1 . 2]" 1
262 1 21 LEU QD 1 103 VAL QG . . 9.790 3.790 2.426 4.735 . 0 0 "[ . 1 . 2]" 1
263 1 21 LEU QD 1 104 LEU QD . . 8.150 3.155 2.297 3.809 . 0 0 "[ . 1 . 2]" 1
264 1 21 LEU MD1 1 42 PHE QD . . 7.750 3.845 2.550 5.735 . 0 0 "[ . 1 . 2]" 1
265 1 21 LEU MD1 1 42 PHE QE . . 7.290 2.775 1.953 4.591 . 0 0 "[ . 1 . 2]" 1
266 1 21 LEU MD1 1 104 LEU MD1 . . 9.890 4.785 3.324 6.436 . 0 0 "[ . 1 . 2]" 1
267 1 21 LEU MD1 1 104 LEU MD2 . . 9.890 4.157 2.351 5.981 . 0 0 "[ . 1 . 2]" 1
268 1 21 LEU MD2 1 42 PHE QD . . 7.750 4.039 2.857 5.544 . 0 0 "[ . 1 . 2]" 1
269 1 21 LEU MD2 1 42 PHE QE . . 7.290 2.917 1.943 4.264 . 0 0 "[ . 1 . 2]" 1
270 1 21 LEU MD2 1 104 LEU MD1 . . 9.890 4.676 3.417 6.802 . 0 0 "[ . 1 . 2]" 1
271 1 21 LEU MD2 1 104 LEU MD2 . . 9.890 4.100 2.690 6.346 . 0 0 "[ . 1 . 2]" 1
272 1 22 VAL H 1 22 VAL HB . . 2.830 2.535 2.142 2.918 0.088 7 0 "[ . 1 . 2]" 1
273 1 22 VAL H 1 22 VAL QG . . 3.990 2.671 2.043 3.115 . 0 0 "[ . 1 . 2]" 1
274 1 22 VAL H 1 75 LEU HA . . 4.260 4.159 3.547 4.345 0.085 6 0 "[ . 1 . 2]" 1
275 1 22 VAL H 1 76 ILE H . . 3.050 2.853 2.633 3.109 0.059 20 0 "[ . 1 . 2]" 1
276 1 22 VAL H 1 76 ILE MG . . 6.530 4.769 4.545 5.318 . 0 0 "[ . 1 . 2]" 1
277 1 22 VAL H 1 78 PHE H . . 5.500 4.884 4.229 5.512 0.012 19 0 "[ . 1 . 2]" 1
278 1 22 VAL H 1 78 PHE QD . . 7.620 3.846 3.231 4.712 . 0 0 "[ . 1 . 2]" 1
279 1 22 VAL HA 1 23 ASP H . . 2.400 2.195 2.106 2.312 . 0 0 "[ . 1 . 2]" 1
280 1 22 VAL HA 1 53 ALA H . . 3.390 3.026 2.536 3.383 . 0 0 "[ . 1 . 2]" 1
281 1 22 VAL HA 1 54 LYS HA . . 5.470 4.240 3.820 4.537 . 0 0 "[ . 1 . 2]" 1
282 1 22 VAL HB 1 76 ILE H . . 4.970 3.496 2.532 4.393 . 0 0 "[ . 1 . 2]" 1
283 1 22 VAL HB 1 76 ILE HB . . 3.790 3.403 2.618 3.909 0.119 11 0 "[ . 1 . 2]" 1
284 1 22 VAL QG 1 23 ASP H . . 5.980 2.873 2.477 3.282 . 0 0 "[ . 1 . 2]" 1
285 1 22 VAL QG 1 24 PHE H . . 8.090 3.396 3.014 3.833 . 0 0 "[ . 1 . 2]" 1
286 1 22 VAL QG 1 24 PHE HA . . 8.090 3.669 3.187 4.288 . 0 0 "[ . 1 . 2]" 1
287 1 22 VAL QG 1 24 PHE QD . . 10.020 2.854 2.322 3.501 . 0 0 "[ . 1 . 2]" 1
288 1 22 VAL QG 1 24 PHE QE . . 7.610 2.817 2.151 3.482 . 0 0 "[ . 1 . 2]" 1
289 1 22 VAL QG 1 24 PHE HZ . . 5.420 3.451 2.810 3.928 . 0 0 "[ . 1 . 2]" 1
290 1 22 VAL QG 1 53 ALA H . . 8.090 4.053 3.622 4.493 . 0 0 "[ . 1 . 2]" 1
291 1 22 VAL QG 1 53 ALA MB . . 9.120 2.877 2.293 3.877 . 0 0 "[ . 1 . 2]" 1
292 1 22 VAL QG 1 55 LEU H . . 7.340 3.889 3.267 4.666 . 0 0 "[ . 1 . 2]" 1
293 1 22 VAL QG 1 55 LEU QD . . 10.690 1.956 1.786 2.166 . 0 0 "[ . 1 . 2]" 1
294 1 22 VAL QG 1 57 VAL MG2 . . 8.840 4.815 4.453 5.067 . 0 0 "[ . 1 . 2]" 1
295 1 22 VAL QG 1 75 LEU HA . . 8.090 3.961 2.848 4.784 . 0 0 "[ . 1 . 2]" 1
296 1 22 VAL QG 1 76 ILE H . . 8.090 3.139 1.722 4.098 . 0 0 "[ . 1 . 2]" 1
297 1 22 VAL QG 1 78 PHE QE . . 9.930 2.485 2.140 3.511 . 0 0 "[ . 1 . 2]" 1
298 1 22 VAL MG1 1 24 PHE QE . . 7.840 2.872 2.203 3.604 . 0 0 "[ . 1 . 2]" 1
299 1 22 VAL MG2 1 24 PHE QE . . 7.840 4.198 3.013 4.776 . 0 0 "[ . 1 . 2]" 1
300 1 23 ASP H 1 23 ASP HB2 . . 3.020 2.586 2.120 2.950 . 0 0 "[ . 1 . 2]" 1
301 1 23 ASP H 1 23 ASP QB . . 2.730 2.285 2.082 2.395 . 0 0 "[ . 1 . 2]" 1
302 1 23 ASP H 1 23 ASP HB3 . . 3.020 2.699 2.428 3.171 0.151 17 0 "[ . 1 . 2]" 1
303 1 23 ASP H 1 25 TRP HD1 . . 5.500 5.437 5.183 5.576 0.076 6 0 "[ . 1 . 2]" 1
304 1 23 ASP H 1 53 ALA H . . 3.330 3.407 3.210 3.480 0.150 13 0 "[ . 1 . 2]" 1
305 1 23 ASP H 1 54 LYS HA . . 2.460 2.483 2.330 2.599 0.139 12 0 "[ . 1 . 2]" 1
306 1 23 ASP H 1 55 LEU QB . . 6.380 5.489 4.400 5.773 . 0 0 "[ . 1 . 2]" 1
307 1 23 ASP HA 1 24 PHE H . . 3.520 2.193 2.136 2.267 . 0 0 "[ . 1 . 2]" 1
308 1 23 ASP HA 1 75 LEU HA . . 3.210 3.052 2.663 3.295 0.085 7 0 "[ . 1 . 2]" 1
309 1 23 ASP QB 1 54 LYS HA . . 4.040 2.030 1.906 2.494 . 0 0 "[ . 1 . 2]" 1
310 1 23 ASP QB 1 55 LEU H . . 4.440 3.213 3.006 3.727 . 0 0 "[ . 1 . 2]" 1
311 1 23 ASP HB2 1 54 LYS HA . . 4.260 3.137 2.359 3.528 . 0 0 "[ . 1 . 2]" 1
312 1 23 ASP HB2 1 55 LEU H . . 4.600 4.686 4.168 4.854 0.254 15 0 "[ . 1 . 2]" 1
313 1 23 ASP HB3 1 54 LYS HA . . 4.260 2.092 1.918 2.806 . 0 0 "[ . 1 . 2]" 1
314 1 23 ASP HB3 1 55 LEU H . . 4.600 3.284 3.040 3.936 . 0 0 "[ . 1 . 2]" 1
315 1 24 PHE H 1 24 PHE HB2 . . 3.670 2.359 2.274 2.455 . 0 0 "[ . 1 . 2]" 1
316 1 24 PHE H 1 24 PHE QB . . 3.260 2.328 2.249 2.419 . 0 0 "[ . 1 . 2]" 1
317 1 24 PHE H 1 24 PHE HB3 . . 3.670 3.589 3.539 3.636 . 0 0 "[ . 1 . 2]" 1
318 1 24 PHE H 1 74 THR H . . 4.420 3.369 3.191 3.613 . 0 0 "[ . 1 . 2]" 1
319 1 24 PHE H 1 74 THR MG . . 6.280 4.430 4.138 4.631 . 0 0 "[ . 1 . 2]" 1
320 1 24 PHE H 1 75 LEU HA . . 4.200 3.314 2.913 3.486 . 0 0 "[ . 1 . 2]" 1
321 1 24 PHE HA 1 54 LYS HA . . 5.500 5.037 4.654 5.445 . 0 0 "[ . 1 . 2]" 1
322 1 24 PHE HA 1 55 LEU H . . 3.670 3.509 3.182 3.703 0.033 13 0 "[ . 1 . 2]" 1
323 1 24 PHE HA 1 57 VAL H . . 4.600 3.963 3.716 4.241 . 0 0 "[ . 1 . 2]" 1
324 1 24 PHE HA 1 57 VAL MG2 . . 5.260 4.077 3.777 4.275 . 0 0 "[ . 1 . 2]" 1
325 1 24 PHE QB 1 25 TRP H . . 3.900 3.471 3.407 3.551 . 0 0 "[ . 1 . 2]" 1
326 1 24 PHE QB 1 57 VAL MG2 . . 4.620 2.721 2.362 2.867 . 0 0 "[ . 1 . 2]" 1
327 1 24 PHE QB 1 69 ILE MG . . 6.450 2.867 2.613 3.192 . 0 0 "[ . 1 . 2]" 1
328 1 24 PHE QB 1 72 ILE MG . . 6.350 2.119 1.993 2.454 . 0 0 "[ . 1 . 2]" 1
329 1 24 PHE QB 1 73 PRO HA . . 6.380 4.073 3.789 4.307 . 0 0 "[ . 1 . 2]" 1
330 1 24 PHE QB 1 74 THR H . . 4.220 2.515 2.187 2.760 . 0 0 "[ . 1 . 2]" 1
331 1 24 PHE QB 1 74 THR HB . . 5.640 2.037 1.960 2.186 . 0 0 "[ . 1 . 2]" 1
332 1 24 PHE QB 1 74 THR MG . . 6.140 3.324 2.893 3.604 . 0 0 "[ . 1 . 2]" 1
333 1 24 PHE HB2 1 25 TRP H . . 4.350 4.379 4.338 4.406 0.056 14 0 "[ . 1 . 2]" 1
334 1 24 PHE HB2 1 57 VAL MG1 . . 6.530 4.939 3.938 5.404 . 0 0 "[ . 1 . 2]" 1
335 1 24 PHE HB2 1 57 VAL MG2 . . 5.130 4.071 3.741 4.193 . 0 0 "[ . 1 . 2]" 1
336 1 24 PHE HB2 1 69 ILE MD . . 6.530 4.940 4.751 5.209 . 0 0 "[ . 1 . 2]" 1
337 1 24 PHE HB2 1 72 ILE MG . . 6.500 2.793 2.426 3.128 . 0 0 "[ . 1 . 2]" 1
338 1 24 PHE HB2 1 74 THR H . . 4.540 2.582 2.227 2.898 . 0 0 "[ . 1 . 2]" 1
339 1 24 PHE HB2 1 74 THR MG . . 6.530 3.431 2.965 3.724 . 0 0 "[ . 1 . 2]" 1
340 1 24 PHE HB3 1 25 TRP H . . 4.350 3.641 3.560 3.757 . 0 0 "[ . 1 . 2]" 1
341 1 24 PHE HB3 1 57 VAL MG1 . . 6.530 3.550 2.529 4.013 . 0 0 "[ . 1 . 2]" 1
342 1 24 PHE HB3 1 57 VAL MG2 . . 5.130 2.765 2.388 2.922 . 0 0 "[ . 1 . 2]" 1
343 1 24 PHE HB3 1 69 ILE MD . . 6.530 5.296 5.250 5.365 . 0 0 "[ . 1 . 2]" 1
344 1 24 PHE HB3 1 72 ILE MG . . 6.500 2.206 2.068 2.606 . 0 0 "[ . 1 . 2]" 1
345 1 24 PHE HB3 1 74 THR H . . 4.540 3.539 3.183 3.812 . 0 0 "[ . 1 . 2]" 1
346 1 24 PHE HB3 1 74 THR MG . . 6.530 4.454 4.028 4.827 . 0 0 "[ . 1 . 2]" 1
347 1 24 PHE QD 1 25 TRP HA . . 7.590 5.764 5.584 5.973 . 0 0 "[ . 1 . 2]" 1
348 1 24 PHE QD 1 57 VAL MG1 . . 6.940 3.988 3.612 4.285 . 0 0 "[ . 1 . 2]" 1
349 1 24 PHE QD 1 57 VAL MG2 . . 6.260 2.261 2.090 2.650 . 0 0 "[ . 1 . 2]" 1
350 1 24 PHE QD 1 64 THR HA . . 7.530 5.427 5.172 5.865 . 0 0 "[ . 1 . 2]" 1
351 1 24 PHE QD 1 64 THR MG . . 7.320 4.222 3.555 4.685 . 0 0 "[ . 1 . 2]" 1
352 1 24 PHE QD 1 69 ILE MD . . 7.750 3.735 3.358 4.207 . 0 0 "[ . 1 . 2]" 1
353 1 24 PHE QD 1 69 ILE QG . . 8.500 4.468 4.264 4.755 . 0 0 "[ . 1 . 2]" 1
354 1 24 PHE QD 1 69 ILE MG . . 6.700 2.852 2.597 3.083 . 0 0 "[ . 1 . 2]" 1
355 1 24 PHE QD 1 72 ILE HA . . 7.620 5.711 5.461 6.053 . 0 0 "[ . 1 . 2]" 1
356 1 24 PHE QD 1 74 THR H . . 7.620 4.373 4.065 4.796 . 0 0 "[ . 1 . 2]" 1
357 1 24 PHE QD 1 74 THR MG . . 7.810 2.572 2.298 2.859 . 0 0 "[ . 1 . 2]" 1
358 1 24 PHE QD 1 75 LEU HA . . 7.620 3.921 3.529 4.227 . 0 0 "[ . 1 . 2]" 1
359 1 24 PHE QD 1 76 ILE H . . 7.620 3.777 3.389 4.389 . 0 0 "[ . 1 . 2]" 1
360 1 24 PHE QE 1 57 VAL MG2 . . 8.400 2.632 2.469 2.956 . 0 0 "[ . 1 . 2]" 1
361 1 24 PHE QE 1 64 THR HA . . 7.160 3.894 3.629 4.291 . 0 0 "[ . 1 . 2]" 1
362 1 24 PHE QE 1 64 THR MG . . 8.650 3.540 2.373 4.370 . 0 0 "[ . 1 . 2]" 1
363 1 24 PHE QE 1 69 ILE MD . . 8.650 3.221 2.419 3.908 . 0 0 "[ . 1 . 2]" 1
364 1 24 PHE QE 1 74 THR MG . . 8.650 3.671 3.344 4.090 . 0 0 "[ . 1 . 2]" 1
365 1 24 PHE QE 1 75 LEU H . . 7.620 6.176 6.056 6.409 . 0 0 "[ . 1 . 2]" 1
366 1 24 PHE QE 1 76 ILE H . . 7.620 4.464 3.834 5.150 . 0 0 "[ . 1 . 2]" 1
367 1 24 PHE HZ 1 57 VAL MG2 . . 5.040 4.158 4.047 4.285 . 0 0 "[ . 1 . 2]" 1
368 1 24 PHE HZ 1 64 THR HA . . 5.470 3.348 2.889 4.010 . 0 0 "[ . 1 . 2]" 1
369 1 24 PHE HZ 1 69 ILE MD . . 6.530 4.252 3.369 5.013 . 0 0 "[ . 1 . 2]" 1
370 1 24 PHE HZ 1 69 ILE MG . . 6.530 3.035 2.877 3.309 . 0 0 "[ . 1 . 2]" 1
371 1 25 TRP H 1 25 TRP HB2 . . 4.070 3.889 3.832 3.954 . 0 0 "[ . 1 . 2]" 1
372 1 25 TRP H 1 25 TRP QB . . 3.880 3.033 2.957 3.126 . 0 0 "[ . 1 . 2]" 1
373 1 25 TRP H 1 25 TRP HB3 . . 4.070 3.165 3.070 3.275 . 0 0 "[ . 1 . 2]" 1
374 1 25 TRP H 1 25 TRP HD1 . . 2.990 2.532 2.347 2.735 . 0 0 "[ . 1 . 2]" 1
375 1 25 TRP H 1 55 LEU H . . 4.320 3.688 3.351 3.922 . 0 0 "[ . 1 . 2]" 1
376 1 25 TRP H 1 56 ASN HA . . 3.330 3.331 2.993 3.443 0.113 17 0 "[ . 1 . 2]" 1
377 1 25 TRP H 1 57 VAL H . . 3.360 3.103 2.855 3.361 0.001 11 0 "[ . 1 . 2]" 1
378 1 25 TRP H 1 57 VAL MG1 . . 6.530 4.226 3.398 4.639 . 0 0 "[ . 1 . 2]" 1
379 1 25 TRP H 1 57 VAL MG2 . . 5.880 4.808 4.666 4.916 . 0 0 "[ . 1 . 2]" 1
380 1 25 TRP HA 1 25 TRP HB2 . . 3.020 2.380 2.358 2.424 . 0 0 "[ . 1 . 2]" 1
381 1 25 TRP HA 1 25 TRP HB3 . . 3.020 2.535 2.491 2.567 . 0 0 "[ . 1 . 2]" 1
382 1 25 TRP HA 1 25 TRP HD1 . . 4.970 4.359 4.263 4.511 . 0 0 "[ . 1 . 2]" 1
383 1 25 TRP HA 1 25 TRP HE3 . . 4.820 4.483 4.318 4.629 . 0 0 "[ . 1 . 2]" 1
384 1 25 TRP HA 1 26 ALA H . . 3.270 2.742 2.643 2.842 . 0 0 "[ . 1 . 2]" 1
385 1 25 TRP HA 1 73 PRO HA . . 3.050 3.068 2.899 3.121 0.071 15 0 "[ . 1 . 2]" 1
386 1 25 TRP QB 1 25 TRP HE3 . . 3.680 2.487 2.426 2.572 . 0 0 "[ . 1 . 2]" 1
387 1 25 TRP QB 1 26 ALA H . . 3.610 2.372 2.235 2.569 . 0 0 "[ . 1 . 2]" 1
388 1 25 TRP QB 1 73 PRO HA . . 5.570 4.068 3.858 4.318 . 0 0 "[ . 1 . 2]" 1
389 1 25 TRP HB2 1 26 ALA H . . 4.140 2.394 2.251 2.600 . 0 0 "[ . 1 . 2]" 1
390 1 25 TRP HB3 1 26 ALA H . . 4.140 3.858 3.765 4.005 . 0 0 "[ . 1 . 2]" 1
391 1 25 TRP HD1 1 54 LYS HA . . 4.940 3.858 3.403 4.038 . 0 0 "[ . 1 . 2]" 1
392 1 25 TRP HD1 1 54 LYS QB . . 6.040 3.288 2.403 4.746 . 0 0 "[ . 1 . 2]" 1
393 1 25 TRP HD1 1 54 LYS QD . . 6.380 4.396 3.382 5.804 . 0 0 "[ . 1 . 2]" 1
394 1 25 TRP HD1 1 55 LEU H . . 3.170 2.678 2.392 3.020 . 0 0 "[ . 1 . 2]" 1
395 1 25 TRP HD1 1 56 ASN HA . . 4.510 4.069 3.628 4.403 . 0 0 "[ . 1 . 2]" 1
396 1 25 TRP HE1 1 54 LYS HA . . 5.500 4.698 4.333 4.990 . 0 0 "[ . 1 . 2]" 1
397 1 25 TRP HE1 1 54 LYS QB . . 4.890 3.433 2.824 4.422 . 0 0 "[ . 1 . 2]" 1
398 1 25 TRP HE1 1 55 LEU H . . 5.500 3.548 3.304 3.890 . 0 0 "[ . 1 . 2]" 1
399 1 25 TRP HE1 1 55 LEU HA . . 5.500 3.097 2.550 3.483 . 0 0 "[ . 1 . 2]" 1
400 1 25 TRP HE1 1 56 ASN H . . 5.500 3.817 3.378 4.386 . 0 0 "[ . 1 . 2]" 1
401 1 25 TRP HE1 1 56 ASN HA . . 5.500 3.886 3.437 4.127 . 0 0 "[ . 1 . 2]" 1
402 1 25 TRP HE1 1 56 ASN HB2 . . 5.500 3.934 3.348 4.432 . 0 0 "[ . 1 . 2]" 1
403 1 25 TRP HE1 1 56 ASN QB . . 4.750 3.802 3.259 4.202 . 0 0 "[ . 1 . 2]" 1
404 1 25 TRP HE1 1 56 ASN HB3 . . 5.500 5.063 4.477 5.489 . 0 0 "[ . 1 . 2]" 1
405 1 25 TRP HE3 1 32 CYS HB2 . . 5.500 4.377 4.004 4.855 . 0 0 "[ . 1 . 2]" 1
406 1 25 TRP HE3 1 32 CYS QB . . 5.080 4.197 3.888 4.535 . 0 0 "[ . 1 . 2]" 1
407 1 25 TRP HE3 1 32 CYS HB3 . . 5.500 5.428 5.164 5.534 0.034 18 0 "[ . 1 . 2]" 1
408 1 25 TRP HZ2 1 27 ALA MB . . 6.530 5.244 5.156 5.290 . 0 0 "[ . 1 . 2]" 1
409 1 25 TRP HZ2 1 56 ASN QB . . 5.920 3.313 2.745 4.148 . 0 0 "[ . 1 . 2]" 1
410 1 26 ALA HA 1 27 ALA H . . 2.860 2.375 2.199 2.518 . 0 0 "[ . 1 . 2]" 1
411 1 26 ALA HA 1 27 ALA MB . . 6.530 4.069 3.973 4.214 . 0 0 "[ . 1 . 2]" 1
412 1 26 ALA HA 1 56 ASN HA . . 5.500 2.840 2.274 3.488 . 0 0 "[ . 1 . 2]" 1
413 1 26 ALA HA 1 57 VAL H . . 4.260 3.362 2.868 3.993 . 0 0 "[ . 1 . 2]" 1
414 1 26 ALA HA 1 57 VAL MG1 . . 6.530 3.679 3.036 4.181 . 0 0 "[ . 1 . 2]" 1
415 1 26 ALA MB 1 27 ALA H . . 4.170 2.481 2.331 2.742 . 0 0 "[ . 1 . 2]" 1
416 1 26 ALA MB 1 28 TRP H . . 6.340 2.618 2.347 2.795 . 0 0 "[ . 1 . 2]" 1
417 1 26 ALA MB 1 28 TRP HE3 . . 4.080 2.296 2.159 2.584 . 0 0 "[ . 1 . 2]" 1
418 1 26 ALA MB 1 29 CYS HB2 . . 6.060 4.216 2.205 4.777 . 0 0 "[ . 1 . 2]" 1
419 1 26 ALA MB 1 29 CYS QB . . 5.890 2.973 2.173 3.769 . 0 0 "[ . 1 . 2]" 1
420 1 26 ALA MB 1 29 CYS HB3 . . 6.060 3.097 2.273 3.947 . 0 0 "[ . 1 . 2]" 1
421 1 26 ALA MB 1 72 ILE QG . . 6.380 3.219 2.072 3.968 . 0 0 "[ . 1 . 2]" 1
422 1 26 ALA MB 1 72 ILE MG . . 7.560 3.686 2.717 4.450 . 0 0 "[ . 1 . 2]" 1
423 1 27 ALA H 1 28 TRP H . . 3.170 2.939 2.801 3.171 0.001 1 0 "[ . 1 . 2]" 1
424 1 27 ALA H 1 28 TRP HE3 . . 5.500 4.086 3.331 5.260 . 0 0 "[ . 1 . 2]" 1
425 1 27 ALA HA 1 29 CYS H . . 5.500 4.575 3.816 5.523 0.023 16 0 "[ . 1 . 2]" 1
426 1 27 ALA MB 1 29 CYS H . . 6.530 4.904 4.596 5.400 . 0 0 "[ . 1 . 2]" 1
427 1 28 TRP H 1 28 TRP HB2 . . 4.040 3.700 3.476 4.041 0.001 6 0 "[ . 1 . 2]" 1
428 1 28 TRP H 1 28 TRP QB . . 3.670 2.514 2.218 3.144 . 0 0 "[ . 1 . 2]" 1
429 1 28 TRP H 1 28 TRP HB3 . . 4.040 2.562 2.244 3.278 . 0 0 "[ . 1 . 2]" 1
430 1 28 TRP H 1 29 CYS H . . 2.800 2.354 1.999 2.588 . 0 0 "[ . 1 . 2]" 1
431 1 28 TRP HA 1 28 TRP HB2 . . 2.650 2.203 2.149 2.276 . 0 0 "[ . 1 . 2]" 1
432 1 28 TRP HA 1 28 TRP HB3 . . 2.650 2.686 2.580 2.778 0.128 3 0 "[ . 1 . 2]" 1
433 1 28 TRP HB2 1 28 TRP HD1 . . 3.920 2.562 2.496 2.708 . 0 0 "[ . 1 . 2]" 1
434 1 28 TRP HB3 1 28 TRP HD1 . . 3.920 3.756 3.693 3.832 . 0 0 "[ . 1 . 2]" 1
435 1 28 TRP HD1 1 29 CYS H . . 5.500 4.795 3.327 5.212 . 0 0 "[ . 1 . 2]" 1
436 1 28 TRP HH2 1 29 CYS HA . . 5.500 5.558 5.188 5.615 0.115 9 0 "[ . 1 . 2]" 1
437 1 28 TRP HH2 1 29 CYS QB . . 6.380 4.296 3.717 5.714 . 0 0 "[ . 1 . 2]" 1
438 1 28 TRP HH2 1 72 ILE MD . . 6.470 2.477 2.114 3.156 . 0 0 "[ . 1 . 2]" 1
439 1 28 TRP HH2 1 72 ILE QG . . 6.010 3.479 2.414 4.599 . 0 0 "[ . 1 . 2]" 1
440 1 28 TRP HZ2 1 29 CYS HA . . 5.000 4.483 4.297 4.692 . 0 0 "[ . 1 . 2]" 1
441 1 28 TRP HZ2 1 29 CYS QB . . 6.380 4.183 3.564 5.565 . 0 0 "[ . 1 . 2]" 1
442 1 28 TRP HZ3 1 57 VAL MG2 . . 6.530 5.428 5.348 5.491 . 0 0 "[ . 1 . 2]" 1
443 1 28 TRP HZ3 1 72 ILE MD . . 4.920 2.762 2.237 3.676 . 0 0 "[ . 1 . 2]" 1
444 1 28 TRP HZ3 1 72 ILE QG . . 6.350 4.106 3.088 5.677 . 0 0 "[ . 1 . 2]" 1
445 1 29 CYS H 1 29 CYS HB2 . . 3.830 3.546 2.834 3.841 0.011 6 0 "[ . 1 . 2]" 1
446 1 29 CYS H 1 29 CYS QB . . 3.510 2.646 2.222 2.858 . 0 0 "[ . 1 . 2]" 1
447 1 29 CYS H 1 29 CYS HB3 . . 3.830 2.757 2.246 3.190 . 0 0 "[ . 1 . 2]" 1
448 1 29 CYS QB 1 30 GLY H . . 5.790 3.257 2.228 4.065 . 0 0 "[ . 1 . 2]" 1
449 1 29 CYS QB 1 32 CYS H . . 4.790 3.250 2.645 4.114 . 0 0 "[ . 1 . 2]" 1
450 1 29 CYS QB 1 72 ILE MD . . 4.960 2.480 2.055 3.490 . 0 0 "[ . 1 . 2]" 1
451 1 29 CYS HB2 1 32 CYS H . . 5.280 3.338 2.667 4.902 . 0 0 "[ . 1 . 2]" 1
452 1 29 CYS HB2 1 72 ILE MD . . 5.320 3.376 2.181 4.397 . 0 0 "[ . 1 . 2]" 1
453 1 29 CYS HB3 1 32 CYS H . . 5.280 4.806 4.304 5.304 0.024 9 0 "[ . 1 . 2]" 1
454 1 29 CYS HB3 1 72 ILE MD . . 5.320 2.635 2.084 3.661 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLY H 1 31 PRO QD . . 6.380 3.096 2.139 4.121 . 0 0 "[ . 1 . 2]" 1
456 1 31 PRO HA 1 33 ARG H . . 4.660 3.839 3.507 4.378 . 0 0 "[ . 1 . 2]" 1
457 1 31 PRO HA 1 34 MET H . . 4.970 3.193 2.950 3.370 . 0 0 "[ . 1 . 2]" 1
458 1 31 PRO HA 1 34 MET QB . . 3.740 2.933 2.702 3.035 . 0 0 "[ . 1 . 2]" 1
459 1 31 PRO HA 1 90 TYR QD . . 7.640 4.506 3.639 5.302 . 0 0 "[ . 1 . 2]" 1
460 1 31 PRO HA 1 90 TYR QE . . 7.630 5.615 4.513 6.675 . 0 0 "[ . 1 . 2]" 1
461 1 31 PRO QB 1 32 CYS H . . 3.890 3.471 3.393 3.522 . 0 0 "[ . 1 . 2]" 1
462 1 31 PRO QB 1 33 ARG H . . 6.130 4.904 4.746 5.114 . 0 0 "[ . 1 . 2]" 1
463 1 31 PRO QB 1 90 TYR H . . 6.380 3.661 3.160 4.488 . 0 0 "[ . 1 . 2]" 1
464 1 31 PRO QB 1 90 TYR QB . . 4.590 2.436 2.151 2.843 . 0 0 "[ . 1 . 2]" 1
465 1 31 PRO HB2 1 32 CYS H . . 4.510 3.634 3.540 3.712 . 0 0 "[ . 1 . 2]" 1
466 1 31 PRO HB2 1 90 TYR HB2 . . 5.670 2.548 2.268 3.044 . 0 0 "[ . 1 . 2]" 1
467 1 31 PRO HB2 1 90 TYR HB3 . . 5.670 3.541 2.830 4.102 . 0 0 "[ . 1 . 2]" 1
468 1 31 PRO HB3 1 32 CYS H . . 4.510 4.402 4.349 4.455 . 0 0 "[ . 1 . 2]" 1
469 1 31 PRO HB3 1 90 TYR HB2 . . 5.670 3.790 3.343 4.417 . 0 0 "[ . 1 . 2]" 1
470 1 31 PRO HB3 1 90 TYR HB3 . . 5.670 4.241 3.591 5.015 . 0 0 "[ . 1 . 2]" 1
471 1 31 PRO QD 1 32 CYS H . . 5.370 3.023 2.840 3.231 . 0 0 "[ . 1 . 2]" 1
472 1 31 PRO HD2 1 32 CYS H . . 5.500 3.108 2.901 3.341 . 0 0 "[ . 1 . 2]" 1
473 1 31 PRO HD3 1 32 CYS H . . 5.500 4.142 4.000 4.292 . 0 0 "[ . 1 . 2]" 1
474 1 31 PRO QG 1 73 PRO QD . . 6.320 2.522 2.083 3.084 . 0 0 "[ . 1 . 2]" 1
475 1 32 CYS H 1 32 CYS HB2 . . 3.830 3.627 3.564 3.674 . 0 0 "[ . 1 . 2]" 1
476 1 32 CYS H 1 32 CYS HB3 . . 3.830 2.497 2.310 2.799 . 0 0 "[ . 1 . 2]" 1
477 1 32 CYS H 1 34 MET H . . 4.690 4.100 3.844 4.203 . 0 0 "[ . 1 . 2]" 1
478 1 32 CYS HA 1 32 CYS HB2 . . 2.740 2.351 2.233 2.543 . 0 0 "[ . 1 . 2]" 1
479 1 32 CYS HA 1 32 CYS QB . . 2.530 2.157 2.108 2.186 . 0 0 "[ . 1 . 2]" 1
480 1 32 CYS HA 1 32 CYS HB3 . . 2.740 2.526 2.370 2.650 . 0 0 "[ . 1 . 2]" 1
481 1 32 CYS HA 1 35 MET H . . 4.010 3.022 2.812 3.188 . 0 0 "[ . 1 . 2]" 1
482 1 32 CYS HA 1 35 MET HB2 . . 3.390 3.030 2.514 3.405 0.015 18 0 "[ . 1 . 2]" 1
483 1 32 CYS HA 1 35 MET QB . . 3.120 2.364 2.090 2.721 . 0 0 "[ . 1 . 2]" 1
484 1 32 CYS HA 1 35 MET HB3 . . 3.390 2.494 2.134 2.862 . 0 0 "[ . 1 . 2]" 1
485 1 32 CYS QB 1 33 ARG H . . 5.080 3.618 3.496 3.771 . 0 0 "[ . 1 . 2]" 1
486 1 33 ARG H 1 33 ARG HB2 . . 3.270 2.287 2.077 2.430 . 0 0 "[ . 1 . 2]" 1
487 1 33 ARG H 1 33 ARG HB3 . . 3.270 2.723 2.495 3.424 0.154 17 0 "[ . 1 . 2]" 1
488 1 33 ARG H 1 34 MET H . . 2.990 2.702 2.574 2.866 . 0 0 "[ . 1 . 2]" 1
489 1 33 ARG HA 1 33 ARG HB2 . . 2.990 2.621 2.496 3.032 0.042 17 0 "[ . 1 . 2]" 1
490 1 33 ARG HA 1 33 ARG HB3 . . 2.990 3.001 2.550 3.038 0.048 13 0 "[ . 1 . 2]" 1
491 1 33 ARG HA 1 33 ARG HD2 . . 5.000 4.284 2.236 4.776 . 0 0 "[ . 1 . 2]" 1
492 1 33 ARG HA 1 33 ARG QD . . 4.750 3.760 2.213 4.200 . 0 0 "[ . 1 . 2]" 1
493 1 33 ARG HA 1 33 ARG HD3 . . 5.000 4.288 2.505 4.771 . 0 0 "[ . 1 . 2]" 1
494 1 33 ARG HA 1 36 ALA H . . 3.790 3.682 3.407 3.837 0.047 11 0 "[ . 1 . 2]" 1
495 1 33 ARG HA 1 36 ALA MB . . 4.700 2.874 2.608 3.210 . 0 0 "[ . 1 . 2]" 1
496 1 33 ARG QB 1 33 ARG QD . . 3.200 2.206 2.075 2.379 . 0 0 "[ . 1 . 2]" 1
497 1 33 ARG HB2 1 33 ARG HD2 . . 3.950 2.962 2.364 4.037 0.087 1 0 "[ . 1 . 2]" 1
498 1 33 ARG HB2 1 33 ARG HD3 . . 3.950 3.244 2.465 3.829 . 0 0 "[ . 1 . 2]" 1
499 1 33 ARG HB3 1 33 ARG HD2 . . 3.950 3.059 2.480 3.784 . 0 0 "[ . 1 . 2]" 1
500 1 33 ARG HB3 1 33 ARG HD3 . . 3.950 2.775 2.323 4.115 0.165 14 0 "[ . 1 . 2]" 1
501 1 34 MET H 1 34 MET HA . . 2.860 2.946 2.941 2.954 0.094 6 0 "[ . 1 . 2]" 1
502 1 34 MET H 1 34 MET QB . . 3.740 2.403 2.316 2.532 . 0 0 "[ . 1 . 2]" 1
503 1 34 MET H 1 34 MET QG . . 4.020 2.750 2.576 3.573 . 0 0 "[ . 1 . 2]" 1
504 1 34 MET H 1 35 MET H . . 3.360 2.099 1.943 2.196 . 0 0 "[ . 1 . 2]" 1
505 1 34 MET H 1 36 ALA H . . 5.410 3.749 3.554 3.943 . 0 0 "[ . 1 . 2]" 1
506 1 34 MET HA 1 34 MET QG . . 3.980 2.509 2.256 3.306 . 0 0 "[ . 1 . 2]" 1
507 1 34 MET HA 1 36 ALA H . . 4.510 4.518 4.195 4.572 0.062 2 0 "[ . 1 . 2]" 1
508 1 34 MET HA 1 37 PRO QB . . 5.080 4.577 4.347 4.651 . 0 0 "[ . 1 . 2]" 1
509 1 34 MET HA 1 90 TYR QE . . 7.630 4.702 4.088 6.212 . 0 0 "[ . 1 . 2]" 1
510 1 34 MET QB 1 90 TYR QD . . 7.860 3.346 2.742 4.796 . 0 0 "[ . 1 . 2]" 1
511 1 34 MET QB 1 90 TYR QE . . 7.360 2.854 2.146 4.782 . 0 0 "[ . 1 . 2]" 1
512 1 34 MET ME 1 90 TYR QB . . 5.700 3.956 2.674 4.267 . 0 0 "[ . 1 . 2]" 1
513 1 34 MET ME 1 90 TYR QD . . 8.260 3.080 2.421 3.949 . 0 0 "[ . 1 . 2]" 1
514 1 34 MET ME 1 90 TYR QE . . 8.660 3.123 2.172 4.591 . 0 0 "[ . 1 . 2]" 1
515 1 34 MET QG 1 90 TYR QE . . 6.840 4.293 2.547 5.209 . 0 0 "[ . 1 . 2]" 1
516 1 35 MET H 1 35 MET HB2 . . 2.960 2.513 2.319 2.724 . 0 0 "[ . 1 . 2]" 1
517 1 35 MET H 1 35 MET HB3 . . 2.960 2.665 2.439 2.899 . 0 0 "[ . 1 . 2]" 1
518 1 35 MET H 1 35 MET HG2 . . 4.880 4.510 4.427 4.609 . 0 0 "[ . 1 . 2]" 1
519 1 35 MET H 1 35 MET QG . . 4.680 3.969 3.878 4.043 . 0 0 "[ . 1 . 2]" 1
520 1 35 MET H 1 35 MET HG3 . . 4.880 4.412 4.214 4.559 . 0 0 "[ . 1 . 2]" 1
521 1 35 MET H 1 36 ALA H . . 2.800 2.401 2.090 2.778 . 0 0 "[ . 1 . 2]" 1
522 1 35 MET H 1 36 ALA MB . . 6.530 4.058 3.723 4.488 . 0 0 "[ . 1 . 2]" 1
523 1 35 MET H 1 38 VAL H . . 4.510 4.670 4.598 4.721 0.211 13 0 "[ . 1 . 2]" 1
524 1 35 MET HA 1 35 MET QG . . 3.920 2.358 2.137 2.980 . 0 0 "[ . 1 . 2]" 1
525 1 35 MET HA 1 38 VAL H . . 4.420 3.154 2.970 3.326 . 0 0 "[ . 1 . 2]" 1
526 1 35 MET HA 1 38 VAL HB . . 2.770 2.472 2.206 2.813 0.043 9 0 "[ . 1 . 2]" 1
527 1 35 MET HA 1 38 VAL MG1 . . 3.770 2.640 2.102 3.030 . 0 0 "[ . 1 . 2]" 1
528 1 35 MET HA 1 39 LEU QD . . 8.100 3.737 3.267 4.248 . 0 0 "[ . 1 . 2]" 1
529 1 35 MET HA 1 90 TYR QE . . 6.300 2.752 2.282 3.864 . 0 0 "[ . 1 . 2]" 1
530 1 35 MET QB 1 36 ALA H . . 3.510 2.654 2.501 2.849 . 0 0 "[ . 1 . 2]" 1
531 1 35 MET QB 1 39 LEU QD . . 5.730 3.127 2.465 3.508 . 0 0 "[ . 1 . 2]" 1
532 1 35 MET QB 1 90 TYR QD . . 6.110 2.682 2.171 3.502 . 0 0 "[ . 1 . 2]" 1
533 1 35 MET QB 1 90 TYR QE . . 6.730 4.024 3.701 4.677 . 0 0 "[ . 1 . 2]" 1
534 1 35 MET HB2 1 36 ALA H . . 3.830 3.823 3.668 3.886 0.056 4 0 "[ . 1 . 2]" 1
535 1 35 MET HB2 1 39 LEU MD1 . . 6.530 4.529 3.848 5.292 . 0 0 "[ . 1 . 2]" 1
536 1 35 MET HB2 1 39 LEU MD2 . . 6.530 5.057 4.071 5.494 . 0 0 "[ . 1 . 2]" 1
537 1 35 MET HB2 1 90 TYR QD . . 6.280 2.718 2.184 3.591 . 0 0 "[ . 1 . 2]" 1
538 1 35 MET HB2 1 90 TYR QE . . 7.600 4.173 3.817 4.859 . 0 0 "[ . 1 . 2]" 1
539 1 35 MET HB3 1 36 ALA H . . 3.830 2.710 2.536 2.938 . 0 0 "[ . 1 . 2]" 1
540 1 35 MET HB3 1 39 LEU MD1 . . 6.530 3.715 2.510 4.708 . 0 0 "[ . 1 . 2]" 1
541 1 35 MET HB3 1 39 LEU MD2 . . 6.530 4.171 2.757 5.184 . 0 0 "[ . 1 . 2]" 1
542 1 35 MET HB3 1 90 TYR QD . . 6.280 4.191 3.791 4.956 . 0 0 "[ . 1 . 2]" 1
543 1 35 MET HB3 1 90 TYR QE . . 7.600 5.288 4.973 6.092 . 0 0 "[ . 1 . 2]" 1
544 1 35 MET QG 1 38 VAL MG1 . . 5.640 2.575 2.071 3.582 . 0 0 "[ . 1 . 2]" 1
545 1 35 MET QG 1 90 TYR H . . 6.380 5.364 4.650 5.652 . 0 0 "[ . 1 . 2]" 1
546 1 35 MET QG 1 90 TYR HA . . 4.000 2.897 2.262 3.252 . 0 0 "[ . 1 . 2]" 1
547 1 35 MET QG 1 90 TYR QE . . 8.510 3.668 2.781 5.102 . 0 0 "[ . 1 . 2]" 1
548 1 35 MET HG2 1 38 VAL MG1 . . 5.940 3.134 2.303 4.690 . 0 0 "[ . 1 . 2]" 1
549 1 35 MET HG2 1 90 TYR HA . . 4.260 4.030 2.983 4.333 0.073 4 0 "[ . 1 . 2]" 1
550 1 35 MET HG2 1 90 TYR QD . . 6.620 3.977 2.289 4.734 . 0 0 "[ . 1 . 2]" 1
551 1 35 MET HG3 1 38 VAL MG1 . . 5.940 2.849 2.347 4.503 . 0 0 "[ . 1 . 2]" 1
552 1 35 MET HG3 1 90 TYR HA . . 4.260 3.141 2.297 4.314 0.054 2 0 "[ . 1 . 2]" 1
553 1 35 MET HG3 1 90 TYR QD . . 6.620 2.803 2.159 4.981 . 0 0 "[ . 1 . 2]" 1
554 1 36 ALA H 1 36 ALA MB . . 3.610 2.232 2.206 2.258 . 0 0 "[ . 1 . 2]" 1
555 1 36 ALA H 1 37 PRO QD . . 5.140 2.508 2.390 2.677 . 0 0 "[ . 1 . 2]" 1
556 1 36 ALA H 1 38 VAL H . . 5.040 4.190 4.064 4.303 . 0 0 "[ . 1 . 2]" 1
557 1 36 ALA HA 1 38 VAL H . . 4.720 4.391 4.230 4.638 . 0 0 "[ . 1 . 2]" 1
558 1 36 ALA HA 1 39 LEU H . . 3.830 3.382 3.261 3.655 . 0 0 "[ . 1 . 2]" 1
559 1 36 ALA HA 1 39 LEU HB2 . . 3.890 2.367 2.254 2.567 . 0 0 "[ . 1 . 2]" 1
560 1 36 ALA HA 1 39 LEU QB . . 3.440 2.344 2.234 2.534 . 0 0 "[ . 1 . 2]" 1
561 1 36 ALA HA 1 39 LEU HB3 . . 3.890 3.796 3.590 3.977 0.087 8 0 "[ . 1 . 2]" 1
562 1 36 ALA HA 1 39 LEU HG . . 5.100 4.450 3.328 5.140 0.040 9 0 "[ . 1 . 2]" 1
563 1 37 PRO HA 1 40 GLU HB2 . . 3.270 2.483 1.995 3.084 . 0 0 "[ . 1 . 2]" 1
564 1 37 PRO HA 1 40 GLU QB . . 3.080 2.320 1.973 2.754 . 0 0 "[ . 1 . 2]" 1
565 1 37 PRO HA 1 40 GLU HB3 . . 3.270 3.058 2.385 3.400 0.130 20 0 "[ . 1 . 2]" 1
566 1 37 PRO QG 1 38 VAL H . . 4.000 2.616 2.491 2.688 . 0 0 "[ . 1 . 2]" 1
567 1 37 PRO QG 1 39 LEU H . . 6.380 4.890 4.767 5.012 . 0 0 "[ . 1 . 2]" 1
568 1 37 PRO HG2 1 38 VAL H . . 4.230 2.643 2.513 2.718 . 0 0 "[ . 1 . 2]" 1
569 1 37 PRO HG3 1 38 VAL H . . 4.230 4.204 4.094 4.261 0.031 7 0 "[ . 1 . 2]" 1
570 1 38 VAL H 1 38 VAL HB . . 2.860 2.101 1.978 2.271 . 0 0 "[ . 1 . 2]" 1
571 1 38 VAL H 1 38 VAL MG1 . . 3.990 3.249 2.944 3.417 . 0 0 "[ . 1 . 2]" 1
572 1 38 VAL H 1 39 LEU H . . 2.830 2.590 2.515 2.703 . 0 0 "[ . 1 . 2]" 1
573 1 38 VAL H 1 39 LEU QB . . 6.380 4.303 4.110 4.424 . 0 0 "[ . 1 . 2]" 1
574 1 38 VAL H 1 40 GLU H . . 4.260 3.972 3.833 4.181 . 0 0 "[ . 1 . 2]" 1
575 1 38 VAL HA 1 38 VAL HB . . 2.800 2.837 2.718 2.897 0.097 17 0 "[ . 1 . 2]" 1
576 1 38 VAL HA 1 41 GLU H . . 4.660 3.489 3.020 3.846 . 0 0 "[ . 1 . 2]" 1
577 1 38 VAL HA 1 41 GLU QB . . 4.420 3.047 2.283 3.945 . 0 0 "[ . 1 . 2]" 1
578 1 38 VAL MG1 1 39 LEU H . . 6.090 2.752 2.567 3.403 . 0 0 "[ . 1 . 2]" 1
579 1 38 VAL MG1 1 90 TYR QD . . 8.360 3.493 2.910 4.492 . 0 0 "[ . 1 . 2]" 1
580 1 38 VAL MG1 1 90 TYR QE . . 7.420 2.590 2.122 3.629 . 0 0 "[ . 1 . 2]" 1
581 1 38 VAL MG1 1 93 LYS HB2 . . 6.310 4.182 3.116 5.128 . 0 0 "[ . 1 . 2]" 1
582 1 38 VAL MG2 1 39 LEU H . . 5.780 4.340 4.250 4.445 . 0 0 "[ . 1 . 2]" 1
583 1 38 VAL MG2 1 39 LEU QD . . 9.130 4.510 4.103 5.015 . 0 0 "[ . 1 . 2]" 1
584 1 38 VAL MG2 1 42 PHE H . . 6.430 4.995 4.552 5.290 . 0 0 "[ . 1 . 2]" 1
585 1 38 VAL MG2 1 92 PRO QB . . 7.400 4.158 3.372 5.158 . 0 0 "[ . 1 . 2]" 1
586 1 39 LEU H 1 39 LEU HA . . 2.800 2.836 2.807 2.883 0.083 17 0 "[ . 1 . 2]" 1
587 1 39 LEU H 1 39 LEU HB2 . . 3.360 2.156 2.065 2.310 . 0 0 "[ . 1 . 2]" 1
588 1 39 LEU H 1 39 LEU QB . . 2.970 2.134 2.047 2.278 . 0 0 "[ . 1 . 2]" 1
589 1 39 LEU H 1 39 LEU HB3 . . 3.360 3.419 3.368 3.476 0.116 15 0 "[ . 1 . 2]" 1
590 1 39 LEU H 1 39 LEU HG . . 5.070 3.448 2.372 4.363 . 0 0 "[ . 1 . 2]" 1
591 1 39 LEU H 1 40 GLU H . . 3.080 2.625 2.378 2.758 . 0 0 "[ . 1 . 2]" 1
592 1 39 LEU HA 1 39 LEU HG . . 3.360 2.837 2.476 3.165 . 0 0 "[ . 1 . 2]" 1
593 1 39 LEU HA 1 41 GLU H . . 5.100 4.432 3.702 5.057 . 0 0 "[ . 1 . 2]" 1
594 1 39 LEU HA 1 42 PHE H . . 3.950 3.037 2.705 3.437 . 0 0 "[ . 1 . 2]" 1
595 1 39 LEU HA 1 42 PHE HB2 . . 2.990 2.643 2.206 3.058 0.068 7 0 "[ . 1 . 2]" 1
596 1 39 LEU HA 1 42 PHE HB3 . . 2.800 2.086 1.942 2.364 . 0 0 "[ . 1 . 2]" 1
597 1 39 LEU HA 1 96 LEU MD1 . . 6.530 4.421 3.416 5.326 . 0 0 "[ . 1 . 2]" 1
598 1 39 LEU HA 1 96 LEU QD . . 6.000 4.068 3.358 4.456 . 0 0 "[ . 1 . 2]" 1
599 1 39 LEU HA 1 96 LEU MD2 . . 6.530 5.031 4.360 5.367 . 0 0 "[ . 1 . 2]" 1
600 1 39 LEU QD 1 96 LEU QD . . 6.300 2.048 1.872 2.250 . 0 0 "[ . 1 . 2]" 1
601 1 39 LEU MD1 1 96 LEU MD1 . . 7.560 3.093 1.942 4.948 . 0 0 "[ . 1 . 2]" 1
602 1 39 LEU MD1 1 96 LEU MD2 . . 7.560 3.754 2.079 5.111 . 0 0 "[ . 1 . 2]" 1
603 1 39 LEU MD2 1 96 LEU MD1 . . 7.560 3.215 1.888 4.883 . 0 0 "[ . 1 . 2]" 1
604 1 39 LEU MD2 1 96 LEU MD2 . . 7.560 3.730 2.156 5.070 . 0 0 "[ . 1 . 2]" 1
605 1 40 GLU H 1 40 GLU HB2 . . 3.390 2.282 2.032 2.508 . 0 0 "[ . 1 . 2]" 1
606 1 40 GLU H 1 40 GLU QB . . 3.150 2.170 2.016 2.290 . 0 0 "[ . 1 . 2]" 1
607 1 40 GLU H 1 40 GLU HB3 . . 3.390 2.859 2.510 3.367 . 0 0 "[ . 1 . 2]" 1
608 1 40 GLU H 1 41 GLU H . . 2.650 2.577 2.352 2.725 0.075 7 0 "[ . 1 . 2]" 1
609 1 40 GLU HA 1 43 ALA MB . . 5.380 2.538 2.194 3.308 . 0 0 "[ . 1 . 2]" 1
610 1 41 GLU H 1 41 GLU HA . . 2.900 2.872 2.806 2.983 0.083 7 0 "[ . 1 . 2]" 1
611 1 41 GLU H 1 41 GLU QB . . 3.590 2.290 2.118 2.612 . 0 0 "[ . 1 . 2]" 1
612 1 41 GLU H 1 42 PHE H . . 3.330 2.684 2.116 2.856 . 0 0 "[ . 1 . 2]" 1
613 1 41 GLU H 1 43 ALA H . . 4.940 4.218 3.624 4.549 . 0 0 "[ . 1 . 2]" 1
614 1 41 GLU HA 1 44 GLU QB . . 3.800 2.757 2.281 3.335 . 0 0 "[ . 1 . 2]" 1
615 1 41 GLU QB 1 42 PHE H . . 4.020 2.692 2.275 3.695 . 0 0 "[ . 1 . 2]" 1
616 1 41 GLU QB 1 93 LYS QD . . 7.250 3.772 2.594 5.646 . 0 0 "[ . 1 . 2]" 1
617 1 41 GLU QG 1 93 LYS QD . . 7.250 4.379 2.180 5.881 . 0 0 "[ . 1 . 2]" 1
618 1 42 PHE H 1 42 PHE HB2 . . 2.860 2.460 2.299 2.620 . 0 0 "[ . 1 . 2]" 1
619 1 42 PHE H 1 42 PHE HB3 . . 2.830 2.560 2.281 2.777 . 0 0 "[ . 1 . 2]" 1
620 1 42 PHE H 1 43 ALA H . . 3.080 2.817 2.356 3.069 . 0 0 "[ . 1 . 2]" 1
621 1 42 PHE H 1 44 GLU H . . 5.470 4.376 3.911 4.886 . 0 0 "[ . 1 . 2]" 1
622 1 42 PHE HA 1 42 PHE HB2 . . 2.710 2.524 2.425 2.596 . 0 0 "[ . 1 . 2]" 1
623 1 42 PHE HA 1 45 ALA MB . . 4.330 2.749 2.305 3.248 . 0 0 "[ . 1 . 2]" 1
624 1 42 PHE HA 1 46 HIS HD2 . . 4.910 4.697 3.413 5.023 0.113 12 0 "[ . 1 . 2]" 1
625 1 42 PHE HB2 1 43 ALA H . . 4.230 3.831 3.667 4.245 0.015 1 0 "[ . 1 . 2]" 1
626 1 42 PHE HB2 1 93 LYS QD . . 6.380 2.469 2.162 3.741 . 0 0 "[ . 1 . 2]" 1
627 1 42 PHE HB2 1 96 LEU MD1 . . 6.530 4.133 3.098 4.944 . 0 0 "[ . 1 . 2]" 1
628 1 42 PHE HB2 1 96 LEU MD2 . . 6.530 4.497 3.520 4.995 . 0 0 "[ . 1 . 2]" 1
629 1 42 PHE HB3 1 43 ALA H . . 4.170 2.510 2.239 3.260 . 0 0 "[ . 1 . 2]" 1
630 1 42 PHE HB3 1 93 LYS QD . . 6.380 3.934 3.448 5.286 . 0 0 "[ . 1 . 2]" 1
631 1 42 PHE HB3 1 96 LEU MD1 . . 6.530 4.644 3.807 5.245 . 0 0 "[ . 1 . 2]" 1
632 1 42 PHE HB3 1 96 LEU MD2 . . 6.530 4.936 4.023 5.430 . 0 0 "[ . 1 . 2]" 1
633 1 42 PHE QD 1 43 ALA HA . . 6.880 3.726 2.858 4.872 . 0 0 "[ . 1 . 2]" 1
634 1 42 PHE QD 1 45 ALA MB . . 8.650 4.141 2.742 4.875 . 0 0 "[ . 1 . 2]" 1
635 1 42 PHE QD 1 46 HIS QB . . 8.500 5.299 3.640 6.370 . 0 0 "[ . 1 . 2]" 1
636 1 42 PHE QD 1 46 HIS HD2 . . 6.510 3.940 3.157 5.071 . 0 0 "[ . 1 . 2]" 1
637 1 42 PHE QD 1 50 VAL MG1 . . 8.650 5.622 3.747 6.533 . 0 0 "[ . 1 . 2]" 1
638 1 42 PHE QD 1 50 VAL QG . . 8.240 4.284 3.122 5.055 . 0 0 "[ . 1 . 2]" 1
639 1 42 PHE QD 1 50 VAL MG2 . . 8.650 4.567 3.167 5.268 . 0 0 "[ . 1 . 2]" 1
640 1 42 PHE QD 1 52 VAL MG1 . . 8.180 4.026 2.740 5.032 . 0 0 "[ . 1 . 2]" 1
641 1 42 PHE QD 1 52 VAL QG . . 7.250 3.214 2.323 3.901 . 0 0 "[ . 1 . 2]" 1
642 1 42 PHE QD 1 52 VAL MG2 . . 8.180 3.480 2.380 4.539 . 0 0 "[ . 1 . 2]" 1
643 1 42 PHE QD 1 75 LEU QD . . 10.220 3.695 2.730 4.457 . 0 0 "[ . 1 . 2]" 1
644 1 42 PHE QD 1 96 LEU HA . . 7.620 6.177 5.214 6.942 . 0 0 "[ . 1 . 2]" 1
645 1 42 PHE QD 1 96 LEU HB3 . . 7.440 3.738 2.591 5.053 . 0 0 "[ . 1 . 2]" 1
646 1 42 PHE QD 1 96 LEU MD1 . . 8.530 3.596 2.672 4.496 . 0 0 "[ . 1 . 2]" 1
647 1 42 PHE QD 1 96 LEU QD . . 8.300 3.069 2.542 3.461 . 0 0 "[ . 1 . 2]" 1
648 1 42 PHE QD 1 96 LEU MD2 . . 8.530 3.575 3.026 4.600 . 0 0 "[ . 1 . 2]" 1
649 1 42 PHE QD 1 97 GLU HB2 . . 7.620 3.897 2.464 6.132 . 0 0 "[ . 1 . 2]" 1
650 1 42 PHE QD 1 97 GLU HB3 . . 7.620 5.175 4.208 6.266 . 0 0 "[ . 1 . 2]" 1
651 1 42 PHE QD 1 97 GLU QG . . 8.500 3.557 2.129 5.134 . 0 0 "[ . 1 . 2]" 1
652 1 42 PHE QD 1 100 LEU QB . . 8.500 5.323 4.791 5.644 . 0 0 "[ . 1 . 2]" 1
653 1 42 PHE QD 1 104 LEU QD . . 10.220 4.450 4.170 4.804 . 0 0 "[ . 1 . 2]" 1
654 1 42 PHE QE 1 43 ALA HA . . 7.620 5.071 4.435 6.136 . 0 0 "[ . 1 . 2]" 1
655 1 42 PHE QE 1 46 HIS QB . . 8.410 4.974 3.436 5.877 . 0 0 "[ . 1 . 2]" 1
656 1 42 PHE QE 1 46 HIS HD2 . . 7.620 3.564 2.553 4.757 . 0 0 "[ . 1 . 2]" 1
657 1 42 PHE QE 1 50 VAL MG1 . . 7.160 4.251 2.267 5.300 . 0 0 "[ . 1 . 2]" 1
658 1 42 PHE QE 1 50 VAL QG . . 6.710 3.371 2.241 4.211 . 0 0 "[ . 1 . 2]" 1
659 1 42 PHE QE 1 50 VAL MG2 . . 7.160 3.661 2.603 4.615 . 0 0 "[ . 1 . 2]" 1
660 1 42 PHE QE 1 52 VAL MG1 . . 7.940 4.697 3.895 5.512 . 0 0 "[ . 1 . 2]" 1
661 1 42 PHE QE 1 52 VAL QG . . 7.220 3.704 2.841 4.079 . 0 0 "[ . 1 . 2]" 1
662 1 42 PHE QE 1 52 VAL MG2 . . 7.940 3.930 2.905 4.507 . 0 0 "[ . 1 . 2]" 1
663 1 42 PHE QE 1 75 LEU QD . . 9.100 3.189 2.098 4.276 . 0 0 "[ . 1 . 2]" 1
664 1 42 PHE QE 1 96 LEU HB2 . . 7.090 5.242 4.428 5.973 . 0 0 "[ . 1 . 2]" 1
665 1 42 PHE QE 1 96 LEU HB3 . . 6.290 3.696 2.814 4.813 . 0 0 "[ . 1 . 2]" 1
666 1 42 PHE QE 1 96 LEU QD . . 10.220 2.491 2.282 2.654 . 0 0 "[ . 1 . 2]" 1
667 1 42 PHE QE 1 97 GLU HA . . 6.100 2.588 2.149 3.246 . 0 0 "[ . 1 . 2]" 1
668 1 42 PHE QE 1 97 GLU HB2 . . 7.620 3.421 2.252 5.358 . 0 0 "[ . 1 . 2]" 1
669 1 42 PHE QE 1 97 GLU HB3 . . 7.620 4.344 3.837 4.756 . 0 0 "[ . 1 . 2]" 1
670 1 42 PHE QE 1 97 GLU QG . . 7.880 2.759 2.082 4.011 . 0 0 "[ . 1 . 2]" 1
671 1 42 PHE QE 1 99 GLN QB . . 8.500 6.337 5.713 6.848 . 0 0 "[ . 1 . 2]" 1
672 1 42 PHE QE 1 100 LEU HB2 . . 7.620 4.020 3.423 4.511 . 0 0 "[ . 1 . 2]" 1
673 1 42 PHE QE 1 100 LEU QB . . 7.460 3.476 2.968 3.807 . 0 0 "[ . 1 . 2]" 1
674 1 42 PHE QE 1 100 LEU HB3 . . 7.620 3.822 3.232 4.150 . 0 0 "[ . 1 . 2]" 1
675 1 42 PHE QE 1 100 LEU QD . . 9.910 2.833 2.304 3.106 . 0 0 "[ . 1 . 2]" 1
676 1 42 PHE QE 1 104 LEU MD1 . . 8.490 3.863 2.954 4.458 . 0 0 "[ . 1 . 2]" 1
677 1 42 PHE QE 1 104 LEU QD . . 7.780 3.003 2.433 3.474 . 0 0 "[ . 1 . 2]" 1
678 1 42 PHE QE 1 104 LEU MD2 . . 8.490 3.176 2.483 3.891 . 0 0 "[ . 1 . 2]" 1
679 1 42 PHE HZ 1 46 HIS HD2 . . 5.500 4.462 3.105 5.554 0.054 11 0 "[ . 1 . 2]" 1
680 1 42 PHE HZ 1 50 VAL MG1 . . 6.530 4.582 3.790 5.103 . 0 0 "[ . 1 . 2]" 1
681 1 42 PHE HZ 1 50 VAL QG . . 5.850 4.037 3.590 4.223 . 0 0 "[ . 1 . 2]" 1
682 1 42 PHE HZ 1 50 VAL MG2 . . 6.530 4.581 4.015 5.120 . 0 0 "[ . 1 . 2]" 1
683 1 42 PHE HZ 1 52 VAL QG . . 8.090 5.430 4.747 5.818 . 0 0 "[ . 1 . 2]" 1
684 1 42 PHE HZ 1 96 LEU HB3 . . 5.500 5.257 4.880 5.581 0.081 9 0 "[ . 1 . 2]" 1
685 1 42 PHE HZ 1 97 GLU HA . . 5.500 3.851 2.839 4.492 . 0 0 "[ . 1 . 2]" 1
686 1 42 PHE HZ 1 97 GLU QB . . 6.380 5.139 4.220 5.806 . 0 0 "[ . 1 . 2]" 1
687 1 42 PHE HZ 1 100 LEU HB2 . . 5.100 3.694 3.319 4.381 . 0 0 "[ . 1 . 2]" 1
688 1 42 PHE HZ 1 100 LEU QB . . 4.600 2.933 2.416 3.539 . 0 0 "[ . 1 . 2]" 1
689 1 42 PHE HZ 1 100 LEU HB3 . . 5.100 3.092 2.476 3.786 . 0 0 "[ . 1 . 2]" 1
690 1 42 PHE HZ 1 100 LEU MD1 . . 5.880 4.269 2.428 4.950 . 0 0 "[ . 1 . 2]" 1
691 1 42 PHE HZ 1 100 LEU QD . . 4.960 2.109 1.976 2.337 . 0 0 "[ . 1 . 2]" 1
692 1 42 PHE HZ 1 100 LEU MD2 . . 5.880 2.149 1.978 3.044 . 0 0 "[ . 1 . 2]" 1
693 1 42 PHE HZ 1 104 LEU MD1 . . 5.190 3.819 3.379 4.198 . 0 0 "[ . 1 . 2]" 1
694 1 42 PHE HZ 1 104 LEU QD . . 4.680 2.426 2.080 2.903 . 0 0 "[ . 1 . 2]" 1
695 1 42 PHE HZ 1 104 LEU MD2 . . 5.190 2.463 2.099 3.088 . 0 0 "[ . 1 . 2]" 1
696 1 43 ALA H 1 43 ALA HA . . 2.770 2.788 2.745 2.885 0.115 1 0 "[ . 1 . 2]" 1
697 1 43 ALA H 1 44 GLU H . . 3.330 2.885 2.494 3.047 . 0 0 "[ . 1 . 2]" 1
698 1 43 ALA H 1 45 ALA H . . 5.280 4.344 4.060 4.659 . 0 0 "[ . 1 . 2]" 1
699 1 43 ALA HA 1 44 GLU H . . 3.550 3.581 3.551 3.607 0.057 16 0 "[ . 1 . 2]" 1
700 1 43 ALA HA 1 46 HIS H . . 4.320 3.902 3.492 4.378 0.058 12 0 "[ . 1 . 2]" 1
701 1 43 ALA HA 1 46 HIS HD2 . . 5.500 4.921 3.411 5.629 0.129 19 0 "[ . 1 . 2]" 1
702 1 43 ALA HA 1 52 VAL QG . . 6.010 2.452 1.952 3.215 . 0 0 "[ . 1 . 2]" 1
703 1 43 ALA MB 1 44 GLU H . . 4.200 2.408 2.112 2.749 . 0 0 "[ . 1 . 2]" 1
704 1 43 ALA MB 1 52 VAL MG1 . . 7.520 2.469 1.948 3.572 . 0 0 "[ . 1 . 2]" 1
705 1 43 ALA MB 1 52 VAL QG . . 6.490 2.217 1.885 3.223 . 0 0 "[ . 1 . 2]" 1
706 1 43 ALA MB 1 52 VAL MG2 . . 7.520 2.877 2.084 4.722 . 0 0 "[ . 1 . 2]" 1
707 1 44 GLU H 1 44 GLU HA . . 2.800 2.811 2.778 2.854 0.054 12 0 "[ . 1 . 2]" 1
708 1 44 GLU H 1 44 GLU QB . . 3.710 2.221 2.091 2.460 . 0 0 "[ . 1 . 2]" 1
709 1 44 GLU H 1 44 GLU HG2 . . 4.660 4.405 3.539 4.551 . 0 0 "[ . 1 . 2]" 1
710 1 44 GLU H 1 44 GLU QG . . 4.490 3.861 2.348 4.013 . 0 0 "[ . 1 . 2]" 1
711 1 44 GLU H 1 44 GLU HG3 . . 4.660 4.300 2.383 4.540 . 0 0 "[ . 1 . 2]" 1
712 1 44 GLU H 1 45 ALA H . . 2.830 2.847 2.807 2.874 0.044 1 0 "[ . 1 . 2]" 1
713 1 44 GLU H 1 45 ALA MB . . 6.530 4.460 4.404 4.542 . 0 0 "[ . 1 . 2]" 1
714 1 44 GLU HA 1 44 GLU HG2 . . 3.330 2.957 2.298 3.472 0.142 7 0 "[ . 1 . 2]" 1
715 1 44 GLU HA 1 44 GLU QG . . 3.130 2.359 2.242 2.485 . 0 0 "[ . 1 . 2]" 1
716 1 44 GLU HA 1 44 GLU HG3 . . 3.330 2.670 2.302 3.443 0.113 20 0 "[ . 1 . 2]" 1
717 1 44 GLU QB 1 45 ALA H . . 4.550 2.548 2.413 2.905 . 0 0 "[ . 1 . 2]" 1
718 1 44 GLU QG 1 45 ALA H . . 6.380 3.811 3.469 4.694 . 0 0 "[ . 1 . 2]" 1
719 1 45 ALA H 1 46 HIS H . . 2.990 2.903 2.648 3.016 0.026 12 0 "[ . 1 . 2]" 1
720 1 45 ALA H 1 47 ALA H . . 5.500 4.615 4.381 5.005 . 0 0 "[ . 1 . 2]" 1
721 1 45 ALA H 1 47 ALA MB . . 6.530 5.017 4.569 5.274 . 0 0 "[ . 1 . 2]" 1
722 1 45 ALA HA 1 46 HIS H . . 3.420 3.449 3.423 3.469 0.049 1 0 "[ . 1 . 2]" 1
723 1 45 ALA HA 1 47 ALA H . . 5.380 4.457 4.219 4.944 . 0 0 "[ . 1 . 2]" 1
724 1 45 ALA MB 1 46 HIS H . . 4.390 3.060 2.823 3.182 . 0 0 "[ . 1 . 2]" 1
725 1 45 ALA MB 1 46 HIS HD2 . . 5.600 3.756 2.575 4.480 . 0 0 "[ . 1 . 2]" 1
726 1 45 ALA MB 1 46 HIS HE1 . . 6.530 4.386 3.167 5.261 . 0 0 "[ . 1 . 2]" 1
727 1 45 ALA MB 1 47 ALA H . . 6.530 4.838 4.551 5.262 . 0 0 "[ . 1 . 2]" 1
728 1 46 HIS H 1 46 HIS HB2 . . 3.830 3.567 2.632 3.899 0.069 4 0 "[ . 1 . 2]" 1
729 1 46 HIS H 1 46 HIS QB . . 3.550 3.110 2.588 3.375 . 0 0 "[ . 1 . 2]" 1
730 1 46 HIS H 1 46 HIS HB3 . . 3.830 3.610 3.285 3.865 0.035 10 0 "[ . 1 . 2]" 1
731 1 46 HIS H 1 46 HIS HD2 . . 5.440 3.967 2.551 5.082 . 0 0 "[ . 1 . 2]" 1
732 1 46 HIS H 1 47 ALA H . . 4.350 2.428 1.997 2.785 . 0 0 "[ . 1 . 2]" 1
733 1 46 HIS H 1 47 ALA MB . . 6.400 3.867 3.632 4.209 . 0 0 "[ . 1 . 2]" 1
734 1 46 HIS HA 1 46 HIS HB2 . . 2.710 2.658 2.483 2.949 0.239 18 0 "[ . 1 . 2]" 1
735 1 46 HIS HA 1 46 HIS HB3 . . 2.710 2.357 2.230 2.443 . 0 0 "[ . 1 . 2]" 1
736 1 46 HIS HA 1 47 ALA H . . 3.240 2.817 2.473 3.224 . 0 0 "[ . 1 . 2]" 1
737 1 46 HIS HA 1 47 ALA MB . . 6.430 4.407 4.165 4.674 . 0 0 "[ . 1 . 2]" 1
738 1 46 HIS HA 1 48 ASP H . . 4.380 3.816 3.033 4.421 0.041 16 0 "[ . 1 . 2]" 1
739 1 46 HIS HA 1 49 LYS H . . 5.100 3.659 3.197 4.141 . 0 0 "[ . 1 . 2]" 1
740 1 46 HIS HA 1 104 LEU QD . . 8.100 4.415 3.914 4.829 . 0 0 "[ . 1 . 2]" 1
741 1 46 HIS QB 1 47 ALA H . . 4.520 3.944 3.372 4.097 . 0 0 "[ . 1 . 2]" 1
742 1 46 HIS QB 1 49 LYS HB3 . . 5.140 2.372 2.086 3.076 . 0 0 "[ . 1 . 2]" 1
743 1 46 HIS QB 1 49 LYS QG . . 7.260 3.988 3.314 4.891 . 0 0 "[ . 1 . 2]" 1
744 1 46 HIS QB 1 50 VAL QG . . 4.820 2.489 1.988 2.851 . 0 0 "[ . 1 . 2]" 1
745 1 46 HIS QB 1 104 LEU QD . . 6.060 2.467 2.051 2.745 . 0 0 "[ . 1 . 2]" 1
746 1 46 HIS HB2 1 46 HIS HD2 . . 3.950 3.249 2.622 3.757 . 0 0 "[ . 1 . 2]" 1
747 1 46 HIS HB2 1 47 ALA H . . 4.660 4.312 3.532 4.540 . 0 0 "[ . 1 . 2]" 1
748 1 46 HIS HB2 1 50 VAL MG1 . . 6.390 3.198 2.369 3.953 . 0 0 "[ . 1 . 2]" 1
749 1 46 HIS HB2 1 50 VAL MG2 . . 6.390 3.158 2.185 5.220 . 0 0 "[ . 1 . 2]" 1
750 1 46 HIS HB2 1 104 LEU MD1 . . 6.530 2.893 2.291 3.768 . 0 0 "[ . 1 . 2]" 1
751 1 46 HIS HB2 1 104 LEU MD2 . . 6.530 4.987 4.494 5.356 . 0 0 "[ . 1 . 2]" 1
752 1 46 HIS HB3 1 46 HIS HD2 . . 3.950 3.080 2.552 3.924 . 0 0 "[ . 1 . 2]" 1
753 1 46 HIS HB3 1 47 ALA H . . 4.660 4.582 4.271 4.680 0.020 4 0 "[ . 1 . 2]" 1
754 1 46 HIS HB3 1 50 VAL MG1 . . 6.390 3.914 2.110 4.872 . 0 0 "[ . 1 . 2]" 1
755 1 46 HIS HB3 1 50 VAL MG2 . . 6.390 4.068 2.318 4.916 . 0 0 "[ . 1 . 2]" 1
756 1 46 HIS HB3 1 104 LEU MD1 . . 6.530 2.855 2.127 3.336 . 0 0 "[ . 1 . 2]" 1
757 1 46 HIS HB3 1 104 LEU MD2 . . 6.530 5.041 4.425 5.468 . 0 0 "[ . 1 . 2]" 1
758 1 46 HIS HD2 1 50 VAL MG1 . . 6.530 4.255 3.293 5.313 . 0 0 "[ . 1 . 2]" 1
759 1 46 HIS HD2 1 50 VAL QG . . 6.180 3.385 2.076 4.499 . 0 0 "[ . 1 . 2]" 1
760 1 46 HIS HD2 1 50 VAL MG2 . . 6.530 3.826 2.098 5.421 . 0 0 "[ . 1 . 2]" 1
761 1 46 HIS HD2 1 104 LEU MD1 . . 6.530 2.964 2.195 4.162 . 0 0 "[ . 1 . 2]" 1
762 1 46 HIS HD2 1 104 LEU MD2 . . 6.530 4.072 2.939 5.263 . 0 0 "[ . 1 . 2]" 1
763 1 47 ALA H 1 47 ALA HA . . 2.860 2.662 2.384 2.841 . 0 0 "[ . 1 . 2]" 1
764 1 47 ALA H 1 47 ALA MB . . 3.520 2.202 2.150 2.271 . 0 0 "[ . 1 . 2]" 1
765 1 47 ALA H 1 48 ASP H . . 3.700 3.165 2.653 3.684 . 0 0 "[ . 1 . 2]" 1
766 1 47 ALA H 1 50 VAL H . . 5.500 5.462 5.151 5.608 0.108 15 0 "[ . 1 . 2]" 1
767 1 47 ALA MB 1 48 ASP H . . 4.300 2.745 2.251 3.210 . 0 0 "[ . 1 . 2]" 1
768 1 48 ASP H 1 49 LYS H . . 2.710 2.262 2.003 2.726 0.016 9 0 "[ . 1 . 2]" 1
769 1 48 ASP H 1 50 VAL H . . 4.350 3.960 3.598 4.368 0.018 9 0 "[ . 1 . 2]" 1
770 1 48 ASP HA 1 50 VAL H . . 4.110 3.699 2.980 4.209 0.099 2 0 "[ . 1 . 2]" 1
771 1 49 LYS H 1 49 LYS HB2 . . 2.710 2.638 2.394 2.796 0.086 18 0 "[ . 1 . 2]" 1
772 1 49 LYS H 1 49 LYS HB3 . . 2.830 2.542 2.332 2.802 . 0 0 "[ . 1 . 2]" 1
773 1 49 LYS H 1 49 LYS QG . . 4.610 4.017 3.952 4.083 . 0 0 "[ . 1 . 2]" 1
774 1 49 LYS HA 1 49 LYS HB2 . . 2.520 2.478 2.425 2.549 0.029 10 0 "[ . 1 . 2]" 1
775 1 49 LYS HB2 1 49 LYS QD . . 3.490 2.843 2.391 3.122 . 0 0 "[ . 1 . 2]" 1
776 1 49 LYS HB3 1 49 LYS QE . . 4.700 3.469 2.730 4.289 . 0 0 "[ . 1 . 2]" 1
777 1 49 LYS HB3 1 50 VAL H . . 4.070 3.086 2.824 3.542 . 0 0 "[ . 1 . 2]" 1
778 1 49 LYS QD 1 104 LEU QB . . 4.530 3.487 2.968 3.613 . 0 0 "[ . 1 . 2]" 1
779 1 49 LYS QG 1 50 VAL H . . 6.380 3.976 3.724 4.295 . 0 0 "[ . 1 . 2]" 1
780 1 49 LYS QG 1 104 LEU MD1 . . 7.400 2.917 2.232 3.373 . 0 0 "[ . 1 . 2]" 1
781 1 49 LYS QG 1 104 LEU MD2 . . 7.400 4.776 4.161 5.294 . 0 0 "[ . 1 . 2]" 1
782 1 50 VAL H 1 50 VAL HB . . 3.950 3.840 3.471 3.967 0.017 20 0 "[ . 1 . 2]" 1
783 1 50 VAL HA 1 50 VAL HB . . 2.710 2.402 2.309 2.475 . 0 0 "[ . 1 . 2]" 1
784 1 50 VAL HA 1 104 LEU QD . . 8.100 4.568 4.236 4.931 . 0 0 "[ . 1 . 2]" 1
785 1 50 VAL HB 1 51 THR H . . 3.760 2.681 2.218 3.896 0.136 8 0 "[ . 1 . 2]" 1
786 1 50 VAL QG 1 52 VAL QG . . 10.680 2.470 1.927 3.922 . 0 0 "[ . 1 . 2]" 1
787 1 50 VAL QG 1 104 LEU QD . . 9.720 1.893 1.775 2.147 . 0 0 "[ . 1 . 2]" 1
788 1 51 THR H 1 51 THR HA . . 2.770 2.895 2.853 2.918 0.148 10 0 "[ . 1 . 2]" 1
789 1 51 THR H 1 51 THR HB . . 3.240 2.829 2.148 3.284 0.044 19 0 "[ . 1 . 2]" 1
790 1 51 THR HA 1 51 THR HB . . 2.830 2.622 2.269 2.974 0.144 8 0 "[ . 1 . 2]" 1
791 1 51 THR HA 1 51 THR MG . . 3.710 2.988 2.408 3.242 . 0 0 "[ . 1 . 2]" 1
792 1 51 THR HA 1 52 VAL H . . 2.620 2.208 2.051 2.496 . 0 0 "[ . 1 . 2]" 1
793 1 51 THR HB 1 52 VAL H . . 5.500 4.433 4.149 4.660 . 0 0 "[ . 1 . 2]" 1
794 1 51 THR MG 1 52 VAL H . . 5.130 3.959 2.669 4.324 . 0 0 "[ . 1 . 2]" 1
795 1 52 VAL H 1 52 VAL HB . . 2.930 2.836 2.489 3.045 0.115 7 0 "[ . 1 . 2]" 1
796 1 52 VAL HA 1 52 VAL HB . . 2.860 2.572 2.162 2.990 0.130 9 0 "[ . 1 . 2]" 1
797 1 52 VAL HA 1 53 ALA H . . 2.860 2.292 1.963 2.431 . 0 0 "[ . 1 . 2]" 1
798 1 52 VAL HB 1 53 ALA H . . 3.670 3.763 3.688 3.857 0.187 18 0 "[ . 1 . 2]" 1
799 1 52 VAL HB 1 53 ALA HA . . 5.500 5.073 3.844 5.702 0.202 18 0 "[ . 1 . 2]" 1
800 1 52 VAL QG 1 53 ALA H . . 6.040 2.214 1.917 2.734 . 0 0 "[ . 1 . 2]" 1
801 1 52 VAL QG 1 53 ALA HA . . 8.090 3.368 3.024 4.065 . 0 0 "[ . 1 . 2]" 1
802 1 53 ALA HA 1 54 LYS H . . 2.650 2.366 2.115 2.590 . 0 0 "[ . 1 . 2]" 1
803 1 53 ALA HA 1 54 LYS QG . . 6.290 4.445 3.186 5.751 . 0 0 "[ . 1 . 2]" 1
804 1 53 ALA MB 1 54 LYS H . . 4.110 2.753 2.066 3.545 . 0 0 "[ . 1 . 2]" 1
805 1 54 LYS H 1 54 LYS QG . . 5.080 2.940 2.061 4.074 . 0 0 "[ . 1 . 2]" 1
806 1 54 LYS H 1 55 LEU H . . 4.820 4.429 4.155 4.698 . 0 0 "[ . 1 . 2]" 1
807 1 54 LYS HA 1 54 LYS QD . . 4.730 4.139 3.661 4.287 . 0 0 "[ . 1 . 2]" 1
808 1 54 LYS HA 1 54 LYS HG2 . . 4.170 3.421 2.583 3.867 . 0 0 "[ . 1 . 2]" 1
809 1 54 LYS HA 1 54 LYS QG . . 3.700 2.968 2.280 3.489 . 0 0 "[ . 1 . 2]" 1
810 1 54 LYS HA 1 54 LYS HG3 . . 4.170 3.378 2.504 4.183 0.013 18 0 "[ . 1 . 2]" 1
811 1 54 LYS HA 1 55 LEU H . . 2.400 2.188 2.045 2.338 . 0 0 "[ . 1 . 2]" 1
812 1 54 LYS QB 1 55 LEU H . . 4.980 3.161 2.590 3.924 . 0 0 "[ . 1 . 2]" 1
813 1 54 LYS QG 1 55 LEU H . . 5.950 3.714 2.632 4.381 . 0 0 "[ . 1 . 2]" 1
814 1 55 LEU H 1 55 LEU QB . . 3.610 3.232 2.786 3.325 . 0 0 "[ . 1 . 2]" 1
815 1 55 LEU HA 1 56 ASN H . . 2.460 2.254 2.099 2.435 . 0 0 "[ . 1 . 2]" 1
816 1 55 LEU QB 1 56 ASN H . . 4.640 2.541 2.195 3.220 . 0 0 "[ . 1 . 2]" 1
817 1 55 LEU QD 1 56 ASN H . . 5.390 3.572 2.981 4.114 . 0 0 "[ . 1 . 2]" 1
818 1 55 LEU QD 1 64 THR MG . . 8.850 4.574 3.671 5.267 . 0 0 "[ . 1 . 2]" 1
819 1 55 LEU MD1 1 56 ASN H . . 6.000 3.889 3.021 4.828 . 0 0 "[ . 1 . 2]" 1
820 1 55 LEU MD2 1 56 ASN H . . 6.000 4.445 3.362 5.023 . 0 0 "[ . 1 . 2]" 1
821 1 56 ASN H 1 56 ASN HB2 . . 2.860 2.790 2.441 2.937 0.077 11 0 "[ . 1 . 2]" 1
822 1 56 ASN H 1 56 ASN HB3 . . 2.860 2.307 2.196 2.774 . 0 0 "[ . 1 . 2]" 1
823 1 56 ASN H 1 59 GLU HB3 . . 4.260 3.901 2.915 4.270 0.010 7 0 "[ . 1 . 2]" 1
824 1 56 ASN HA 1 57 VAL H . . 2.490 2.186 2.130 2.245 . 0 0 "[ . 1 . 2]" 1
825 1 57 VAL H 1 57 VAL HA . . 2.860 2.793 2.679 2.860 0.000 13 0 "[ . 1 . 2]" 1
826 1 57 VAL H 1 57 VAL HB . . 3.240 2.215 2.127 2.334 . 0 0 "[ . 1 . 2]" 1
827 1 57 VAL H 1 57 VAL MG1 . . 3.800 2.402 2.252 2.579 . 0 0 "[ . 1 . 2]" 1
828 1 57 VAL H 1 57 VAL MG2 . . 4.730 3.667 3.617 3.736 . 0 0 "[ . 1 . 2]" 1
829 1 57 VAL H 1 58 ASP H . . 3.210 2.829 2.651 3.191 . 0 0 "[ . 1 . 2]" 1
830 1 57 VAL H 1 59 GLU H . . 4.570 4.330 4.050 4.576 0.006 10 0 "[ . 1 . 2]" 1
831 1 57 VAL HA 1 57 VAL HB . . 2.430 2.497 2.447 2.561 0.131 18 0 "[ . 1 . 2]" 1
832 1 57 VAL HA 1 57 VAL MG2 . . 3.710 2.235 2.135 2.347 . 0 0 "[ . 1 . 2]" 1
833 1 57 VAL HA 1 58 ASP QB . . 5.850 5.103 4.969 5.268 . 0 0 "[ . 1 . 2]" 1
834 1 57 VAL HA 1 59 GLU H . . 4.450 3.946 3.501 4.489 0.039 16 0 "[ . 1 . 2]" 1
835 1 57 VAL HA 1 60 ASN H . . 4.110 3.188 2.613 3.656 . 0 0 "[ . 1 . 2]" 1
836 1 57 VAL MG1 1 58 ASP H . . 4.360 2.522 2.165 2.915 . 0 0 "[ . 1 . 2]" 1
837 1 57 VAL MG1 1 59 GLU H . . 6.530 4.473 4.200 4.789 . 0 0 "[ . 1 . 2]" 1
838 1 57 VAL MG2 1 60 ASN QB . . 7.380 4.055 3.132 4.929 . 0 0 "[ . 1 . 2]" 1
839 1 57 VAL MG2 1 69 ILE MG . . 7.560 2.019 1.949 2.137 . 0 0 "[ . 1 . 2]" 1
840 1 58 ASP H 1 58 ASP HB2 . . 3.110 2.356 2.033 3.066 . 0 0 "[ . 1 . 2]" 1
841 1 58 ASP H 1 58 ASP QB . . 2.910 2.096 1.963 2.242 . 0 0 "[ . 1 . 2]" 1
842 1 58 ASP H 1 58 ASP HB3 . . 3.110 2.630 1.987 3.308 0.198 12 0 "[ . 1 . 2]" 1
843 1 58 ASP H 1 59 GLU H . . 2.830 2.540 2.399 2.806 . 0 0 "[ . 1 . 2]" 1
844 1 58 ASP H 1 60 ASN H . . 4.170 3.975 3.629 4.243 0.073 1 0 "[ . 1 . 2]" 1
845 1 58 ASP HA 1 58 ASP HB2 . . 2.960 2.612 2.227 3.019 0.059 3 0 "[ . 1 . 2]" 1
846 1 58 ASP HA 1 58 ASP HB3 . . 2.960 2.906 2.441 3.028 0.068 2 0 "[ . 1 . 2]" 1
847 1 58 ASP HA 1 60 ASN H . . 4.850 4.418 3.948 4.925 0.075 7 0 "[ . 1 . 2]" 1
848 1 58 ASP QB 1 59 GLU H . . 3.570 2.753 2.450 3.219 . 0 0 "[ . 1 . 2]" 1
849 1 58 ASP HB2 1 59 GLU H . . 3.790 3.651 2.793 3.936 0.146 11 0 "[ . 1 . 2]" 1
850 1 58 ASP HB3 1 59 GLU H . . 3.790 3.018 2.479 3.837 0.047 1 0 "[ . 1 . 2]" 1
851 1 59 GLU H 1 59 GLU HB2 . . 3.110 2.875 2.536 3.305 0.195 10 0 "[ . 1 . 2]" 1
852 1 59 GLU H 1 59 GLU HB3 . . 2.900 2.201 1.956 2.536 . 0 0 "[ . 1 . 2]" 1
853 1 59 GLU H 1 59 GLU QG . . 5.040 3.777 2.847 4.014 . 0 0 "[ . 1 . 2]" 1
854 1 59 GLU H 1 60 ASN H . . 2.930 2.331 1.955 2.797 . 0 0 "[ . 1 . 2]" 1
855 1 59 GLU H 1 61 PRO QD . . 6.380 4.777 4.235 5.411 . 0 0 "[ . 1 . 2]" 1
856 1 59 GLU HA 1 59 GLU HB2 . . 2.490 2.351 2.207 2.502 0.012 6 0 "[ . 1 . 2]" 1
857 1 59 GLU HA 1 59 GLU HB3 . . 2.960 2.966 2.697 3.023 0.063 8 0 "[ . 1 . 2]" 1
858 1 59 GLU HB2 1 60 ASN H . . 4.140 4.142 4.013 4.242 0.102 10 0 "[ . 1 . 2]" 1
859 1 59 GLU HB3 1 60 ASN H . . 3.950 3.027 2.639 3.808 . 0 0 "[ . 1 . 2]" 1
860 1 59 GLU QG 1 60 ASN H . . 6.380 3.508 2.664 4.110 . 0 0 "[ . 1 . 2]" 1
861 1 59 GLU QG 1 60 ASN HA . . 4.980 3.770 3.334 4.190 . 0 0 "[ . 1 . 2]" 1
862 1 59 GLU QG 1 61 PRO QD . . 5.240 4.276 4.124 4.351 . 0 0 "[ . 1 . 2]" 1
863 1 60 ASN H 1 60 ASN HB2 . . 3.270 2.925 2.238 3.278 0.008 12 0 "[ . 1 . 2]" 1
864 1 60 ASN H 1 60 ASN HB3 . . 3.270 2.734 2.342 3.503 0.233 2 0 "[ . 1 . 2]" 1
865 1 60 ASN H 1 61 PRO QD . . 5.300 3.515 3.284 4.129 . 0 0 "[ . 1 . 2]" 1
866 1 60 ASN HA 1 61 PRO HD2 . . 2.960 2.144 2.057 2.225 . 0 0 "[ . 1 . 2]" 1
867 1 60 ASN HA 1 61 PRO QD . . 2.620 2.094 2.021 2.168 . 0 0 "[ . 1 . 2]" 1
868 1 60 ASN HA 1 61 PRO HD3 . . 2.960 2.951 2.664 3.056 0.096 13 0 "[ . 1 . 2]" 1
869 1 60 ASN HA 1 62 GLU H . . 5.100 3.511 3.052 4.845 . 0 0 "[ . 1 . 2]" 1
870 1 61 PRO QB 1 65 SER QB . . 4.720 3.380 2.835 3.847 . 0 0 "[ . 1 . 2]" 1
871 1 61 PRO HB2 1 65 SER QB . . 4.950 3.574 2.955 4.348 . 0 0 "[ . 1 . 2]" 1
872 1 61 PRO HB3 1 65 SER QB . . 4.950 4.217 3.649 4.402 . 0 0 "[ . 1 . 2]" 1
873 1 61 PRO QD 1 62 GLU H . . 4.720 2.852 2.512 3.337 . 0 0 "[ . 1 . 2]" 1
874 1 61 PRO HD2 1 62 GLU H . . 5.500 2.919 2.549 3.469 . 0 0 "[ . 1 . 2]" 1
875 1 61 PRO HD3 1 62 GLU H . . 5.500 4.046 3.793 4.353 . 0 0 "[ . 1 . 2]" 1
876 1 62 GLU H 1 62 GLU HB2 . . 3.640 2.679 2.192 3.676 0.036 2 0 "[ . 1 . 2]" 1
877 1 62 GLU H 1 62 GLU QB . . 3.350 2.274 2.102 2.557 . 0 0 "[ . 1 . 2]" 1
878 1 62 GLU H 1 62 GLU HB3 . . 3.640 2.624 2.186 3.577 . 0 0 "[ . 1 . 2]" 1
879 1 62 GLU H 1 62 GLU HG2 . . 5.500 4.312 3.466 4.908 . 0 0 "[ . 1 . 2]" 1
880 1 62 GLU H 1 62 GLU HG3 . . 5.500 4.252 2.243 4.870 . 0 0 "[ . 1 . 2]" 1
881 1 62 GLU H 1 64 THR H . . 5.500 4.264 4.032 4.725 . 0 0 "[ . 1 . 2]" 1
882 1 62 GLU HA 1 62 GLU QB . . 2.730 2.325 2.086 2.498 . 0 0 "[ . 1 . 2]" 1
883 1 62 GLU HA 1 62 GLU HG2 . . 3.950 3.294 2.274 4.118 0.168 10 0 "[ . 1 . 2]" 1
884 1 62 GLU HA 1 62 GLU QG . . 3.740 2.900 2.243 3.460 . 0 0 "[ . 1 . 2]" 1
885 1 62 GLU HA 1 62 GLU HG3 . . 3.950 3.466 2.355 3.773 . 0 0 "[ . 1 . 2]" 1
886 1 62 GLU HB2 1 63 THR H . . 5.470 4.157 3.020 4.449 . 0 0 "[ . 1 . 2]" 1
887 1 62 GLU HB3 1 63 THR H . . 5.470 4.140 3.500 4.544 . 0 0 "[ . 1 . 2]" 1
888 1 62 GLU HG2 1 63 THR H . . 5.500 4.020 2.668 5.109 . 0 0 "[ . 1 . 2]" 1
889 1 62 GLU HG3 1 63 THR H . . 5.500 3.942 2.516 5.147 . 0 0 "[ . 1 . 2]" 1
890 1 63 THR H 1 63 THR HA . . 2.620 2.264 2.154 2.811 0.191 2 0 "[ . 1 . 2]" 1
891 1 63 THR H 1 64 THR H . . 3.080 3.000 1.636 3.233 0.153 3 0 "[ . 1 . 2]" 1
892 1 63 THR HA 1 64 THR H . . 3.360 3.410 3.355 3.473 0.113 17 0 "[ . 1 . 2]" 1
893 1 63 THR HA 1 66 GLN H . . 3.610 3.068 2.652 3.475 . 0 0 "[ . 1 . 2]" 1
894 1 63 THR HA 1 66 GLN HB2 . . 3.300 2.732 2.238 3.312 0.012 18 0 "[ . 1 . 2]" 1
895 1 63 THR HA 1 66 GLN HB3 . . 3.020 2.462 2.073 3.049 0.029 2 0 "[ . 1 . 2]" 1
896 1 63 THR HA 1 67 PHE H . . 5.500 4.152 3.870 4.614 . 0 0 "[ . 1 . 2]" 1
897 1 63 THR HB 1 64 THR H . . 3.920 3.210 2.721 3.635 . 0 0 "[ . 1 . 2]" 1
898 1 63 THR MG 1 64 THR H . . 6.530 3.786 3.538 4.031 . 0 0 "[ . 1 . 2]" 1
899 1 64 THR H 1 64 THR HB . . 3.140 2.380 2.179 2.524 . 0 0 "[ . 1 . 2]" 1
900 1 64 THR H 1 65 SER H . . 3.080 2.895 2.769 3.080 0.000 2 0 "[ . 1 . 2]" 1
901 1 64 THR H 1 66 GLN H . . 4.260 3.978 3.671 4.268 0.008 17 0 "[ . 1 . 2]" 1
902 1 64 THR HA 1 66 GLN H . . 5.190 4.212 3.720 4.698 . 0 0 "[ . 1 . 2]" 1
903 1 64 THR HA 1 67 PHE H . . 4.880 3.756 3.534 3.930 . 0 0 "[ . 1 . 2]" 1
904 1 64 THR HA 1 67 PHE QB . . 6.380 3.829 3.570 4.155 . 0 0 "[ . 1 . 2]" 1
905 1 64 THR HA 1 69 ILE MD . . 5.410 4.066 3.842 4.513 . 0 0 "[ . 1 . 2]" 1
906 1 64 THR HA 1 69 ILE QG . . 4.580 2.356 2.127 2.849 . 0 0 "[ . 1 . 2]" 1
907 1 64 THR HA 1 69 ILE MG . . 4.390 3.128 2.916 3.349 . 0 0 "[ . 1 . 2]" 1
908 1 64 THR HB 1 65 SER H . . 2.990 2.272 2.005 2.464 . 0 0 "[ . 1 . 2]" 1
909 1 64 THR MG 1 65 SER H . . 5.230 3.097 2.790 3.409 . 0 0 "[ . 1 . 2]" 1
910 1 64 THR MG 1 65 SER HA . . 6.530 3.437 3.167 3.756 . 0 0 "[ . 1 . 2]" 1
911 1 64 THR MG 1 66 GLN H . . 6.530 4.847 4.593 5.293 . 0 0 "[ . 1 . 2]" 1
912 1 65 SER H 1 65 SER QB . . 3.870 2.216 2.175 2.256 . 0 0 "[ . 1 . 2]" 1
913 1 65 SER H 1 66 GLN H . . 2.900 2.801 2.541 2.887 . 0 0 "[ . 1 . 2]" 1
914 1 65 SER H 1 67 PHE H . . 4.630 4.482 4.214 4.664 0.034 5 0 "[ . 1 . 2]" 1
915 1 65 SER HA 1 67 PHE H . . 5.500 4.442 3.779 4.731 . 0 0 "[ . 1 . 2]" 1
916 1 65 SER HA 1 68 GLY H . . 4.010 3.644 3.052 4.026 0.016 5 0 "[ . 1 . 2]" 1
917 1 65 SER HA 1 69 ILE H . . 4.970 3.865 3.218 4.381 . 0 0 "[ . 1 . 2]" 1
918 1 65 SER QB 1 66 GLN H . . 4.360 3.061 2.488 3.555 . 0 0 "[ . 1 . 2]" 1
919 1 65 SER QB 1 67 PHE H . . 6.380 5.088 4.749 5.413 . 0 0 "[ . 1 . 2]" 1
920 1 66 GLN H 1 66 GLN HB2 . . 2.620 2.503 2.076 2.682 0.062 5 0 "[ . 1 . 2]" 1
921 1 66 GLN H 1 66 GLN HB3 . . 2.860 2.574 2.373 2.784 . 0 0 "[ . 1 . 2]" 1
922 1 66 GLN H 1 67 PHE H . . 3.050 2.522 2.125 2.904 . 0 0 "[ . 1 . 2]" 1
923 1 66 GLN H 1 68 GLY H . . 4.940 3.860 3.305 4.263 . 0 0 "[ . 1 . 2]" 1
924 1 66 GLN HA 1 66 GLN HB2 . . 2.770 2.533 2.429 2.693 . 0 0 "[ . 1 . 2]" 1
925 1 66 GLN HB2 1 67 PHE H . . 3.920 3.938 3.773 4.003 0.083 12 0 "[ . 1 . 2]" 1
926 1 66 GLN HB3 1 67 PHE H . . 3.980 2.790 2.548 3.041 . 0 0 "[ . 1 . 2]" 1
927 1 66 GLN QG 1 67 PHE H . . 6.380 4.011 3.542 4.485 . 0 0 "[ . 1 . 2]" 1
928 1 67 PHE H 1 67 PHE HB2 . . 3.640 2.404 2.276 2.538 . 0 0 "[ . 1 . 2]" 1
929 1 67 PHE H 1 67 PHE QB . . 3.420 2.342 2.199 2.437 . 0 0 "[ . 1 . 2]" 1
930 1 67 PHE H 1 67 PHE HB3 . . 3.640 3.417 2.676 3.672 0.032 14 0 "[ . 1 . 2]" 1
931 1 67 PHE H 1 68 GLY H . . 2.960 2.575 2.317 2.923 . 0 0 "[ . 1 . 2]" 1
932 1 67 PHE H 1 69 ILE H . . 3.980 3.607 3.186 3.797 . 0 0 "[ . 1 . 2]" 1
933 1 67 PHE H 1 69 ILE QG . . 6.380 3.086 2.895 3.546 . 0 0 "[ . 1 . 2]" 1
934 1 67 PHE H 1 69 ILE MG . . 6.530 5.529 5.497 5.574 . 0 0 "[ . 1 . 2]" 1
935 1 67 PHE HA 1 67 PHE QB . . 2.740 2.439 2.378 2.528 . 0 0 "[ . 1 . 2]" 1
936 1 67 PHE HA 1 68 GLY H . . 3.640 3.206 3.085 3.353 . 0 0 "[ . 1 . 2]" 1
937 1 67 PHE QB 1 69 ILE MD . . 5.730 2.263 2.033 3.068 . 0 0 "[ . 1 . 2]" 1
938 1 67 PHE QB 1 76 ILE MD . . 4.640 3.249 2.596 3.435 . 0 0 "[ . 1 . 2]" 1
939 1 67 PHE HB2 1 69 ILE MD . . 6.160 2.970 2.202 4.547 . 0 0 "[ . 1 . 2]" 1
940 1 67 PHE HB2 1 76 ILE MD . . 4.950 3.826 2.834 4.257 . 0 0 "[ . 1 . 2]" 1
941 1 67 PHE HB3 1 69 ILE MD . . 6.160 2.409 2.079 3.119 . 0 0 "[ . 1 . 2]" 1
942 1 67 PHE HB3 1 76 ILE MD . . 4.950 3.554 3.013 3.922 . 0 0 "[ . 1 . 2]" 1
943 1 67 PHE QD 1 69 ILE MD . . 8.650 3.439 2.105 4.101 . 0 0 "[ . 1 . 2]" 1
944 1 68 GLY H 1 68 GLY HA2 . . 2.830 2.292 2.268 2.308 . 0 0 "[ . 1 . 2]" 1
945 1 68 GLY H 1 68 GLY QA . . 2.600 2.203 2.183 2.217 . 0 0 "[ . 1 . 2]" 1
946 1 68 GLY H 1 68 GLY HA3 . . 2.830 2.854 2.832 2.889 0.059 7 0 "[ . 1 . 2]" 1
947 1 68 GLY H 1 69 ILE H . . 3.050 2.640 2.461 2.754 . 0 0 "[ . 1 . 2]" 1
948 1 68 GLY H 1 69 ILE MD . . 6.530 4.589 4.015 5.179 . 0 0 "[ . 1 . 2]" 1
949 1 69 ILE H 1 69 ILE HB . . 2.860 2.361 2.241 2.484 . 0 0 "[ . 1 . 2]" 1
950 1 69 ILE H 1 69 ILE MD . . 5.160 3.334 3.069 3.735 . 0 0 "[ . 1 . 2]" 1
951 1 69 ILE H 1 69 ILE QG . . 4.090 2.153 2.061 2.372 . 0 0 "[ . 1 . 2]" 1
952 1 69 ILE H 1 70 MET H . . 4.690 3.826 3.349 4.082 . 0 0 "[ . 1 . 2]" 1
953 1 69 ILE HA 1 69 ILE MD . . 3.610 2.147 2.078 2.247 . 0 0 "[ . 1 . 2]" 1
954 1 69 ILE HA 1 69 ILE MG . . 3.520 2.542 2.438 2.657 . 0 0 "[ . 1 . 2]" 1
955 1 69 ILE HA 1 70 MET H . . 2.460 2.339 2.194 2.550 0.090 17 0 "[ . 1 . 2]" 1
956 1 69 ILE HA 1 70 MET HA . . 4.630 4.401 4.285 4.499 . 0 0 "[ . 1 . 2]" 1
957 1 69 ILE MD 1 70 MET H . . 6.160 4.101 3.951 4.285 . 0 0 "[ . 1 . 2]" 1
958 1 69 ILE MD 1 72 ILE MG . . 7.560 4.752 3.975 5.066 . 0 0 "[ . 1 . 2]" 1
959 1 69 ILE MD 1 74 THR MG . . 5.540 2.253 1.957 2.915 . 0 0 "[ . 1 . 2]" 1
960 1 69 ILE MD 1 76 ILE MD . . 7.310 1.983 1.879 2.150 . 0 0 "[ . 1 . 2]" 1
961 1 69 ILE MD 1 86 GLN QG . . 7.410 3.810 2.957 4.849 . 0 0 "[ . 1 . 2]" 1
962 1 69 ILE QG 1 70 MET H . . 6.380 4.794 4.625 4.924 . 0 0 "[ . 1 . 2]" 1
963 1 69 ILE MG 1 70 MET HA . . 5.750 4.068 3.784 4.501 . 0 0 "[ . 1 . 2]" 1
964 1 69 ILE MG 1 71 SER H . . 4.790 3.785 3.421 3.936 . 0 0 "[ . 1 . 2]" 1
965 1 69 ILE MG 1 72 ILE MD . . 7.560 4.882 4.234 5.131 . 0 0 "[ . 1 . 2]" 1
966 1 69 ILE MG 1 74 THR HB . . 4.230 2.857 2.477 3.408 . 0 0 "[ . 1 . 2]" 1
967 1 69 ILE MG 1 74 THR MG . . 6.190 2.642 2.314 3.180 . 0 0 "[ . 1 . 2]" 1
968 1 69 ILE MG 1 78 PHE QE . . 8.650 5.951 5.436 6.355 . 0 0 "[ . 1 . 2]" 1
969 1 70 MET H 1 70 MET HB2 . . 3.670 2.840 2.492 3.721 0.051 19 0 "[ . 1 . 2]" 1
970 1 70 MET H 1 70 MET QB . . 3.240 2.505 2.367 2.860 . 0 0 "[ . 1 . 2]" 1
971 1 70 MET H 1 70 MET HB3 . . 3.670 3.005 2.588 3.726 0.056 14 0 "[ . 1 . 2]" 1
972 1 70 MET H 1 71 SER H . . 3.050 2.200 1.929 2.979 . 0 0 "[ . 1 . 2]" 1
973 1 70 MET HA 1 70 MET HG2 . . 4.260 3.099 2.345 3.790 . 0 0 "[ . 1 . 2]" 1
974 1 70 MET HA 1 70 MET QG . . 3.920 2.538 2.271 3.372 . 0 0 "[ . 1 . 2]" 1
975 1 70 MET HA 1 70 MET HG3 . . 4.260 2.906 2.357 3.780 . 0 0 "[ . 1 . 2]" 1
976 1 70 MET QB 1 71 SER H . . 4.370 3.510 3.107 4.029 . 0 0 "[ . 1 . 2]" 1
977 1 70 MET HB2 1 71 SER H . . 4.720 4.135 3.239 4.670 . 0 0 "[ . 1 . 2]" 1
978 1 70 MET HB3 1 71 SER H . . 4.720 3.916 3.213 4.535 . 0 0 "[ . 1 . 2]" 1
979 1 70 MET QG 1 71 SER QB . . 7.260 5.301 3.704 5.788 . 0 0 "[ . 1 . 2]" 1
980 1 71 SER H 1 71 SER HA . . 2.900 2.884 2.821 2.938 0.038 13 0 "[ . 1 . 2]" 1
981 1 71 SER H 1 72 ILE H . . 4.940 3.295 2.484 4.624 . 0 0 "[ . 1 . 2]" 1
982 1 71 SER HA 1 72 ILE H . . 2.930 2.824 2.283 3.039 0.109 7 0 "[ . 1 . 2]" 1
983 1 72 ILE H 1 72 ILE HB . . 3.670 3.637 3.567 3.790 0.120 11 0 "[ . 1 . 2]" 1
984 1 72 ILE H 1 72 ILE HG12 . . 4.720 2.821 2.026 3.799 . 0 0 "[ . 1 . 2]" 1
985 1 72 ILE H 1 72 ILE QG . . 4.300 2.679 2.007 3.453 . 0 0 "[ . 1 . 2]" 1
986 1 72 ILE H 1 72 ILE HG13 . . 4.720 3.525 2.890 3.966 . 0 0 "[ . 1 . 2]" 1
987 1 72 ILE H 1 74 THR H . . 5.130 5.211 5.164 5.280 0.150 5 0 "[ . 1 . 2]" 1
988 1 72 ILE HA 1 74 THR H . . 4.820 2.611 2.470 2.817 . 0 0 "[ . 1 . 2]" 1
989 1 72 ILE HB 1 74 THR H . . 5.500 3.119 2.404 3.624 . 0 0 "[ . 1 . 2]" 1
990 1 72 ILE HB 1 74 THR HB . . 5.500 4.692 3.938 5.294 . 0 0 "[ . 1 . 2]" 1
991 1 72 ILE MD 1 74 THR H . . 6.530 5.145 4.671 5.450 . 0 0 "[ . 1 . 2]" 1
992 1 72 ILE QG 1 74 THR H . . 6.380 4.839 4.117 5.271 . 0 0 "[ . 1 . 2]" 1
993 1 72 ILE MG 1 74 THR H . . 4.820 2.786 2.480 3.131 . 0 0 "[ . 1 . 2]" 1
994 1 72 ILE MG 1 74 THR HB . . 6.160 2.708 2.320 3.160 . 0 0 "[ . 1 . 2]" 1
995 1 73 PRO HA 1 74 THR H . . 2.590 2.168 2.113 2.207 . 0 0 "[ . 1 . 2]" 1
996 1 73 PRO QG 1 89 GLY QA . . 4.830 2.658 2.431 2.964 . 0 0 "[ . 1 . 2]" 1
997 1 73 PRO QG 1 90 TYR H . . 6.380 3.290 3.071 3.505 . 0 0 "[ . 1 . 2]" 1
998 1 73 PRO HG2 1 89 GLY HA2 . . 6.350 2.741 2.489 3.077 . 0 0 "[ . 1 . 2]" 1
999 1 73 PRO HG2 1 89 GLY HA3 . . 6.350 4.145 3.943 4.372 . 0 0 "[ . 1 . 2]" 1
1000 1 73 PRO HG3 1 89 GLY HA2 . . 6.350 4.016 3.742 4.451 . 0 0 "[ . 1 . 2]" 1
1001 1 73 PRO HG3 1 89 GLY HA3 . . 6.350 5.504 5.277 5.823 . 0 0 "[ . 1 . 2]" 1
1002 1 74 THR H 1 74 THR HB . . 3.210 2.704 2.590 2.811 . 0 0 "[ . 1 . 2]" 1
1003 1 74 THR HA 1 75 LEU H . . 2.400 2.235 2.169 2.319 . 0 0 "[ . 1 . 2]" 1
1004 1 74 THR HA 1 87 LEU QB . . 6.380 4.431 4.168 4.663 . 0 0 "[ . 1 . 2]" 1
1005 1 74 THR HA 1 88 ILE HA . . 2.960 2.367 2.254 2.658 . 0 0 "[ . 1 . 2]" 1
1006 1 74 THR HA 1 88 ILE MG . . 4.360 2.798 2.483 3.098 . 0 0 "[ . 1 . 2]" 1
1007 1 74 THR HA 1 89 GLY H . . 3.830 3.565 3.143 3.738 . 0 0 "[ . 1 . 2]" 1
1008 1 74 THR MG 1 75 LEU H . . 4.110 2.394 2.184 2.647 . 0 0 "[ . 1 . 2]" 1
1009 1 74 THR MG 1 75 LEU HA . . 5.260 3.851 3.628 4.163 . 0 0 "[ . 1 . 2]" 1
1010 1 74 THR MG 1 75 LEU QD . . 8.200 4.772 4.569 5.017 . 0 0 "[ . 1 . 2]" 1
1011 1 74 THR MG 1 76 ILE H . . 6.530 3.970 3.556 4.480 . 0 0 "[ . 1 . 2]" 1
1012 1 74 THR MG 1 76 ILE MG . . 7.560 4.454 4.261 4.606 . 0 0 "[ . 1 . 2]" 1
1013 1 74 THR MG 1 86 GLN HA . . 6.530 4.278 3.853 4.595 . 0 0 "[ . 1 . 2]" 1
1014 1 74 THR MG 1 86 GLN QG . . 6.760 2.523 2.116 3.675 . 0 0 "[ . 1 . 2]" 1
1015 1 74 THR MG 1 87 LEU H . . 5.690 3.603 3.302 3.852 . 0 0 "[ . 1 . 2]" 1
1016 1 74 THR MG 1 87 LEU QD . . 8.350 5.096 4.579 5.271 . 0 0 "[ . 1 . 2]" 1
1017 1 74 THR MG 1 88 ILE H . . 6.530 4.930 4.751 5.073 . 0 0 "[ . 1 . 2]" 1
1018 1 74 THR MG 1 88 ILE HA . . 5.010 3.378 2.985 3.548 . 0 0 "[ . 1 . 2]" 1
1019 1 74 THR MG 1 88 ILE MG . . 5.820 2.077 1.978 2.233 . 0 0 "[ . 1 . 2]" 1
1020 1 75 LEU H 1 75 LEU HB2 . . 3.080 3.069 2.930 3.157 0.077 11 0 "[ . 1 . 2]" 1
1021 1 75 LEU H 1 75 LEU QB . . 2.740 2.555 2.460 2.606 . 0 0 "[ . 1 . 2]" 1
1022 1 75 LEU H 1 75 LEU HB3 . . 3.080 2.741 2.570 2.903 . 0 0 "[ . 1 . 2]" 1
1023 1 75 LEU H 1 76 ILE H . . 4.690 4.092 3.840 4.258 . 0 0 "[ . 1 . 2]" 1
1024 1 75 LEU H 1 86 GLN HA . . 4.630 4.455 4.248 4.629 . 0 0 "[ . 1 . 2]" 1
1025 1 75 LEU H 1 87 LEU H . . 2.800 2.826 2.776 2.878 0.078 1 0 "[ . 1 . 2]" 1
1026 1 75 LEU H 1 88 ILE HA . . 3.980 3.685 3.521 3.908 . 0 0 "[ . 1 . 2]" 1
1027 1 75 LEU HA 1 75 LEU MD1 . . 3.990 3.277 2.199 3.515 . 0 0 "[ . 1 . 2]" 1
1028 1 75 LEU HA 1 75 LEU MD2 . . 3.990 3.325 2.835 3.621 . 0 0 "[ . 1 . 2]" 1
1029 1 75 LEU HA 1 75 LEU HG . . 3.420 2.259 2.161 2.354 . 0 0 "[ . 1 . 2]" 1
1030 1 75 LEU HA 1 76 ILE H . . 2.490 2.255 2.190 2.363 . 0 0 "[ . 1 . 2]" 1
1031 1 75 LEU HA 1 76 ILE HA . . 4.970 4.475 4.397 4.534 . 0 0 "[ . 1 . 2]" 1
1032 1 75 LEU QB 1 76 ILE H . . 4.990 3.931 3.773 4.038 . 0 0 "[ . 1 . 2]" 1
1033 1 75 LEU QB 1 87 LEU QD . . 5.390 3.129 2.401 3.583 . 0 0 "[ . 1 . 2]" 1
1034 1 75 LEU QB 1 96 LEU QD . . 5.000 3.158 3.020 3.347 . 0 0 "[ . 1 . 2]" 1
1035 1 75 LEU HB2 1 87 LEU MD1 . . 7.060 5.664 4.032 5.979 . 0 0 "[ . 1 . 2]" 1
1036 1 75 LEU HB2 1 87 LEU MD2 . . 7.060 4.868 4.018 5.967 . 0 0 "[ . 1 . 2]" 1
1037 1 75 LEU HB2 1 96 LEU MD1 . . 6.170 4.021 3.572 4.596 . 0 0 "[ . 1 . 2]" 1
1038 1 75 LEU HB2 1 96 LEU MD2 . . 6.170 4.237 3.549 4.889 . 0 0 "[ . 1 . 2]" 1
1039 1 75 LEU HB3 1 87 LEU MD1 . . 7.060 4.491 2.837 4.916 . 0 0 "[ . 1 . 2]" 1
1040 1 75 LEU HB3 1 87 LEU MD2 . . 7.060 3.462 2.429 4.842 . 0 0 "[ . 1 . 2]" 1
1041 1 75 LEU HB3 1 96 LEU MD1 . . 6.170 4.044 3.425 4.385 . 0 0 "[ . 1 . 2]" 1
1042 1 75 LEU HB3 1 96 LEU MD2 . . 6.170 3.954 3.495 4.460 . 0 0 "[ . 1 . 2]" 1
1043 1 75 LEU QD 1 76 ILE H . . 6.550 3.274 2.913 3.719 . 0 0 "[ . 1 . 2]" 1
1044 1 75 LEU QD 1 77 LEU QB . . 8.670 3.156 2.718 4.083 . 0 0 "[ . 1 . 2]" 1
1045 1 75 LEU QD 1 77 LEU HG . . 6.800 4.363 3.483 4.932 . 0 0 "[ . 1 . 2]" 1
1046 1 75 LEU QD 1 86 GLN HA . . 8.100 4.067 3.301 4.966 . 0 0 "[ . 1 . 2]" 1
1047 1 75 LEU QD 1 96 LEU HA . . 7.910 4.646 4.208 5.047 . 0 0 "[ . 1 . 2]" 1
1048 1 75 LEU QD 1 96 LEU QD . . 7.510 1.886 1.788 2.063 . 0 0 "[ . 1 . 2]" 1
1049 1 75 LEU QD 1 100 LEU QD . . 9.020 2.090 1.882 2.608 . 0 0 "[ . 1 . 2]" 1
1050 1 75 LEU MD1 1 96 LEU MD1 . . 9.330 2.274 2.019 3.936 . 0 0 "[ . 1 . 2]" 1
1051 1 75 LEU MD1 1 96 LEU MD2 . . 9.330 2.309 2.045 3.621 . 0 0 "[ . 1 . 2]" 1
1052 1 75 LEU MD2 1 96 LEU MD1 . . 9.330 3.370 2.089 4.029 . 0 0 "[ . 1 . 2]" 1
1053 1 75 LEU MD2 1 96 LEU MD2 . . 9.330 2.732 2.093 3.820 . 0 0 "[ . 1 . 2]" 1
1054 1 76 ILE H 1 76 ILE HB . . 2.740 2.749 2.638 2.813 0.073 12 0 "[ . 1 . 2]" 1
1055 1 76 ILE HA 1 77 LEU H . . 2.520 2.165 2.053 2.296 . 0 0 "[ . 1 . 2]" 1
1056 1 76 ILE HA 1 86 GLN HA . . 2.930 2.208 2.044 2.418 . 0 0 "[ . 1 . 2]" 1
1057 1 76 ILE HA 1 87 LEU H . . 3.760 3.468 3.249 3.649 . 0 0 "[ . 1 . 2]" 1
1058 1 76 ILE HB 1 76 ILE MD . . 3.490 2.503 2.308 2.678 . 0 0 "[ . 1 . 2]" 1
1059 1 76 ILE HB 1 77 LEU H . . 3.860 3.901 3.850 3.956 0.096 5 0 "[ . 1 . 2]" 1
1060 1 76 ILE HB 1 78 PHE QD . . 5.850 3.624 2.981 4.551 . 0 0 "[ . 1 . 2]" 1
1061 1 76 ILE HB 1 78 PHE QE . . 6.040 2.336 2.175 2.842 . 0 0 "[ . 1 . 2]" 1
1062 1 76 ILE HB 1 78 PHE HZ . . 5.500 3.524 2.801 4.214 . 0 0 "[ . 1 . 2]" 1
1063 1 76 ILE MD 1 77 LEU H . . 6.250 4.898 4.677 5.026 . 0 0 "[ . 1 . 2]" 1
1064 1 76 ILE MD 1 78 PHE QE . . 8.150 3.166 2.239 4.170 . 0 0 "[ . 1 . 2]" 1
1065 1 76 ILE MD 1 78 PHE HZ . . 6.530 2.729 2.280 3.876 . 0 0 "[ . 1 . 2]" 1
1066 1 76 ILE MD 1 86 GLN HA . . 6.530 4.367 3.477 5.265 . 0 0 "[ . 1 . 2]" 1
1067 1 76 ILE MD 1 86 GLN QG . . 7.410 3.437 2.675 3.944 . 0 0 "[ . 1 . 2]" 1
1068 1 76 ILE QG 1 78 PHE QD . . 8.500 5.353 4.906 5.959 . 0 0 "[ . 1 . 2]" 1
1069 1 76 ILE QG 1 78 PHE QE . . 8.500 4.064 3.680 4.846 . 0 0 "[ . 1 . 2]" 1
1070 1 76 ILE QG 1 86 GLN HG2 . . 4.760 3.857 2.971 4.079 . 0 0 "[ . 1 . 2]" 1
1071 1 76 ILE QG 1 86 GLN QG . . 3.990 2.553 2.245 3.247 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ILE QG 1 86 GLN HG3 . . 4.760 2.626 2.261 3.410 . 0 0 "[ . 1 . 2]" 1
1073 1 76 ILE MG 1 77 LEU H . . 4.640 2.327 2.217 2.483 . 0 0 "[ . 1 . 2]" 1
1074 1 76 ILE MG 1 78 PHE QD . . 8.650 3.179 2.818 3.642 . 0 0 "[ . 1 . 2]" 1
1075 1 76 ILE MG 1 78 PHE QE . . 8.060 2.841 2.727 3.027 . 0 0 "[ . 1 . 2]" 1
1076 1 76 ILE MG 1 78 PHE HZ . . 6.530 2.922 2.562 3.208 . 0 0 "[ . 1 . 2]" 1
1077 1 76 ILE MG 1 83 PRO QG . . 7.400 3.703 3.307 4.471 . 0 0 "[ . 1 . 2]" 1
1078 1 76 ILE MG 1 84 VAL H . . 6.530 3.917 3.316 4.340 . 0 0 "[ . 1 . 2]" 1
1079 1 76 ILE MG 1 85 LYS H . . 5.570 3.564 3.343 3.896 . 0 0 "[ . 1 . 2]" 1
1080 1 76 ILE MG 1 86 GLN H . . 6.530 4.530 4.263 4.703 . 0 0 "[ . 1 . 2]" 1
1081 1 76 ILE MG 1 86 GLN HA . . 6.530 3.177 2.872 3.660 . 0 0 "[ . 1 . 2]" 1
1082 1 76 ILE MG 1 86 GLN HB2 . . 6.530 2.876 2.371 3.699 . 0 0 "[ . 1 . 2]" 1
1083 1 76 ILE MG 1 86 GLN HB3 . . 6.530 3.845 2.274 4.373 . 0 0 "[ . 1 . 2]" 1
1084 1 76 ILE MG 1 86 GLN HG2 . . 6.530 5.123 4.319 5.373 . 0 0 "[ . 1 . 2]" 1
1085 1 76 ILE MG 1 86 GLN HG3 . . 6.530 4.253 3.840 4.762 . 0 0 "[ . 1 . 2]" 1
1086 1 77 LEU H 1 77 LEU HB2 . . 3.080 2.776 2.222 3.055 . 0 0 "[ . 1 . 2]" 1
1087 1 77 LEU H 1 77 LEU QB . . 2.840 2.433 2.185 2.615 . 0 0 "[ . 1 . 2]" 1
1088 1 77 LEU H 1 77 LEU HB3 . . 3.080 2.729 2.454 3.226 0.146 2 0 "[ . 1 . 2]" 1
1089 1 77 LEU H 1 77 LEU HG . . 5.190 4.613 4.364 4.802 . 0 0 "[ . 1 . 2]" 1
1090 1 77 LEU H 1 78 PHE H . . 5.130 4.287 3.912 4.479 . 0 0 "[ . 1 . 2]" 1
1091 1 77 LEU H 1 84 VAL H . . 5.500 4.233 3.505 4.938 . 0 0 "[ . 1 . 2]" 1
1092 1 77 LEU H 1 85 LYS H . . 3.170 3.095 2.794 3.194 0.024 10 0 "[ . 1 . 2]" 1
1093 1 77 LEU H 1 86 GLN HA . . 3.950 3.476 2.926 3.879 . 0 0 "[ . 1 . 2]" 1
1094 1 77 LEU HA 1 78 PHE H . . 2.710 2.153 2.053 2.284 . 0 0 "[ . 1 . 2]" 1
1095 1 77 LEU QB 1 77 LEU HG . . 2.590 2.321 2.123 2.473 . 0 0 "[ . 1 . 2]" 1
1096 1 77 LEU QB 1 78 PHE H . . 4.150 3.732 3.144 3.852 . 0 0 "[ . 1 . 2]" 1
1097 1 77 LEU QB 1 78 PHE QE . . 8.500 6.232 5.716 6.674 . 0 0 "[ . 1 . 2]" 1
1098 1 77 LEU QB 1 85 LYS QD . . 6.020 4.088 2.907 4.831 . 0 0 "[ . 1 . 2]" 1
1099 1 77 LEU QB 1 87 LEU QD . . 8.360 4.110 3.072 4.843 . 0 0 "[ . 1 . 2]" 1
1100 1 77 LEU HB2 1 78 PHE H . . 4.350 4.363 4.261 4.425 0.075 7 0 "[ . 1 . 2]" 1
1101 1 77 LEU HB3 1 78 PHE H . . 4.350 4.071 3.225 4.237 . 0 0 "[ . 1 . 2]" 1
1102 1 77 LEU QD 1 78 PHE HA . . 7.230 3.644 3.228 5.160 . 0 0 "[ . 1 . 2]" 1
1103 1 77 LEU QD 1 79 LYS QE . . 8.510 2.945 1.889 4.888 . 0 0 "[ . 1 . 2]" 1
1104 1 77 LEU QD 1 100 LEU MD1 . . 8.130 2.671 2.151 3.742 . 0 0 "[ . 1 . 2]" 1
1105 1 77 LEU QD 1 100 LEU QD . . 7.570 2.099 1.751 2.456 . 0 0 "[ . 1 . 2]" 1
1106 1 77 LEU QD 1 100 LEU MD2 . . 8.130 2.435 1.849 3.284 . 0 0 "[ . 1 . 2]" 1
1107 1 77 LEU HG 1 78 PHE H . . 4.820 3.674 2.876 4.863 0.043 1 0 "[ . 1 . 2]" 1
1108 1 77 LEU HG 1 103 VAL QG . . 8.090 3.294 2.105 4.085 . 0 0 "[ . 1 . 2]" 1
1109 1 78 PHE H 1 78 PHE HB2 . . 3.860 2.625 2.378 3.073 . 0 0 "[ . 1 . 2]" 1
1110 1 78 PHE H 1 78 PHE QB . . 3.570 2.576 2.346 2.969 . 0 0 "[ . 1 . 2]" 1
1111 1 78 PHE H 1 78 PHE HB3 . . 3.860 3.753 3.592 3.927 0.067 19 0 "[ . 1 . 2]" 1
1112 1 78 PHE HA 1 79 LYS H . . 2.740 2.326 2.226 2.563 . 0 0 "[ . 1 . 2]" 1
1113 1 78 PHE HA 1 83 PRO HA . . 2.900 2.217 2.017 2.463 . 0 0 "[ . 1 . 2]" 1
1114 1 78 PHE HA 1 84 VAL H . . 3.390 2.783 2.373 3.282 . 0 0 "[ . 1 . 2]" 1
1115 1 78 PHE QB 1 79 LYS H . . 3.570 2.566 2.291 2.792 . 0 0 "[ . 1 . 2]" 1
1116 1 78 PHE QB 1 81 GLY H . . 5.570 3.690 3.279 4.049 . 0 0 "[ . 1 . 2]" 1
1117 1 78 PHE QB 1 83 PRO HA . . 6.160 3.660 2.984 3.934 . 0 0 "[ . 1 . 2]" 1
1118 1 78 PHE HB2 1 79 LYS H . . 3.860 3.730 3.051 3.925 0.065 20 0 "[ . 1 . 2]" 1
1119 1 78 PHE HB3 1 79 LYS H . . 3.860 2.616 2.335 2.865 . 0 0 "[ . 1 . 2]" 1
1120 1 78 PHE QD 1 79 LYS H . . 7.620 3.872 3.413 4.303 . 0 0 "[ . 1 . 2]" 1
1121 1 78 PHE QD 1 82 GLU H . . 7.620 4.071 3.509 4.940 . 0 0 "[ . 1 . 2]" 1
1122 1 78 PHE QD 1 83 PRO HA . . 7.000 2.999 2.517 3.398 . 0 0 "[ . 1 . 2]" 1
1123 1 78 PHE QD 1 83 PRO QD . . 8.500 2.936 2.523 3.588 . 0 0 "[ . 1 . 2]" 1
1124 1 78 PHE QE 1 83 PRO HA . . 7.620 4.124 3.799 4.497 . 0 0 "[ . 1 . 2]" 1
1125 1 78 PHE QE 1 83 PRO HB2 . . 7.620 4.559 4.201 5.197 . 0 0 "[ . 1 . 2]" 1
1126 1 78 PHE QE 1 83 PRO QB . . 7.360 2.913 2.519 3.510 . 0 0 "[ . 1 . 2]" 1
1127 1 78 PHE QE 1 83 PRO HB3 . . 7.620 2.948 2.539 3.569 . 0 0 "[ . 1 . 2]" 1
1128 1 78 PHE QE 1 83 PRO HD2 . . 7.620 4.705 4.193 5.650 . 0 0 "[ . 1 . 2]" 1
1129 1 78 PHE QE 1 83 PRO QD . . 7.460 2.972 2.431 3.997 . 0 0 "[ . 1 . 2]" 1
1130 1 78 PHE QE 1 83 PRO HD3 . . 7.620 3.008 2.446 4.091 . 0 0 "[ . 1 . 2]" 1
1131 1 79 LYS H 1 79 LYS HB2 . . 4.070 4.033 3.959 4.119 0.049 18 0 "[ . 1 . 2]" 1
1132 1 79 LYS H 1 79 LYS QB . . 3.760 3.363 3.021 3.464 . 0 0 "[ . 1 . 2]" 1
1133 1 79 LYS H 1 79 LYS HB3 . . 4.070 3.611 3.123 3.826 . 0 0 "[ . 1 . 2]" 1
1134 1 79 LYS H 1 80 GLY H . . 4.480 4.000 2.254 4.290 . 0 0 "[ . 1 . 2]" 1
1135 1 79 LYS H 1 82 GLU H . . 3.790 2.981 2.705 3.791 0.001 7 0 "[ . 1 . 2]" 1
1136 1 79 LYS H 1 83 PRO HA . . 4.140 3.951 3.707 4.144 0.004 17 0 "[ . 1 . 2]" 1
1137 1 79 LYS H 1 84 VAL MG1 . . 6.530 4.452 3.093 5.507 . 0 0 "[ . 1 . 2]" 1
1138 1 79 LYS H 1 84 VAL QG . . 5.850 3.490 2.773 4.580 . 0 0 "[ . 1 . 2]" 1
1139 1 79 LYS H 1 84 VAL MG2 . . 6.530 3.794 2.780 5.124 . 0 0 "[ . 1 . 2]" 1
1140 1 79 LYS HA 1 79 LYS HB2 . . 2.800 2.443 2.200 2.609 . 0 0 "[ . 1 . 2]" 1
1141 1 79 LYS HA 1 79 LYS QB . . 2.570 2.141 2.097 2.173 . 0 0 "[ . 1 . 2]" 1
1142 1 79 LYS HA 1 79 LYS HB3 . . 2.800 2.404 2.252 2.677 . 0 0 "[ . 1 . 2]" 1
1143 1 79 LYS HA 1 80 GLY H . . 2.620 2.344 2.038 2.697 0.077 7 0 "[ . 1 . 2]" 1
1144 1 79 LYS QB 1 80 GLY H . . 4.680 2.946 2.335 4.058 . 0 0 "[ . 1 . 2]" 1
1145 1 79 LYS HB2 1 80 GLY H . . 4.880 3.053 2.360 4.486 . 0 0 "[ . 1 . 2]" 1
1146 1 79 LYS HB3 1 80 GLY H . . 4.880 4.037 3.624 4.641 . 0 0 "[ . 1 . 2]" 1
1147 1 79 LYS QE 1 103 VAL QG . . 8.960 3.142 1.866 5.715 . 0 0 "[ . 1 . 2]" 1
1148 1 79 LYS QG 1 80 GLY H . . 6.380 4.021 3.196 4.701 . 0 0 "[ . 1 . 2]" 1
1149 1 80 GLY H 1 81 GLY H . . 3.210 2.873 2.201 3.221 0.011 4 0 "[ . 1 . 2]" 1
1150 1 80 GLY QA 1 82 GLU H . . 6.190 3.596 3.151 3.975 . 0 0 "[ . 1 . 2]" 1
1151 1 81 GLY H 1 82 GLU H . . 2.960 2.778 2.247 3.142 0.182 14 0 "[ . 1 . 2]" 1
1152 1 82 GLU H 1 82 GLU HB2 . . 3.480 2.939 2.475 3.694 0.214 14 0 "[ . 1 . 2]" 1
1153 1 82 GLU H 1 82 GLU QB . . 3.150 2.434 2.242 2.945 . 0 0 "[ . 1 . 2]" 1
1154 1 82 GLU H 1 82 GLU HB3 . . 3.480 2.646 2.419 3.578 0.098 18 0 "[ . 1 . 2]" 1
1155 1 82 GLU HA 1 83 PRO HD2 . . 2.990 2.245 2.102 2.522 . 0 0 "[ . 1 . 2]" 1
1156 1 82 GLU HA 1 83 PRO QD . . 2.760 2.079 2.029 2.203 . 0 0 "[ . 1 . 2]" 1
1157 1 82 GLU HA 1 83 PRO HD3 . . 2.990 2.506 2.332 2.780 . 0 0 "[ . 1 . 2]" 1
1158 1 83 PRO HA 1 84 VAL H . . 2.590 2.307 2.133 2.496 . 0 0 "[ . 1 . 2]" 1
1159 1 84 VAL H 1 84 VAL HB . . 3.420 3.245 2.072 3.553 0.133 19 0 "[ . 1 . 2]" 1
1160 1 84 VAL H 1 85 LYS H . . 2.710 2.415 1.873 2.740 0.030 16 0 "[ . 1 . 2]" 1
1161 1 84 VAL HA 1 84 VAL HB . . 2.830 2.679 2.545 2.981 0.151 8 0 "[ . 1 . 2]" 1
1162 1 84 VAL HA 1 85 LYS QG . . 6.380 4.916 4.054 5.603 . 0 0 "[ . 1 . 2]" 1
1163 1 84 VAL HB 1 85 LYS H . . 3.480 3.398 2.495 3.657 0.177 15 0 "[ . 1 . 2]" 1
1164 1 84 VAL HB 1 85 LYS QB . . 5.700 4.148 3.438 4.881 . 0 0 "[ . 1 . 2]" 1
1165 1 84 VAL HB 1 85 LYS QE . . 5.600 4.476 3.354 5.092 . 0 0 "[ . 1 . 2]" 1
1166 1 84 VAL HB 1 85 LYS QG . . 6.380 3.633 2.444 5.147 . 0 0 "[ . 1 . 2]" 1
1167 1 84 VAL QG 1 85 LYS H . . 4.880 2.504 2.126 3.528 . 0 0 "[ . 1 . 2]" 1
1168 1 84 VAL QG 1 85 LYS QG . . 7.170 2.846 2.225 4.045 . 0 0 "[ . 1 . 2]" 1
1169 1 84 VAL QG 1 103 VAL HB . . 5.980 4.013 3.141 4.416 . 0 0 "[ . 1 . 2]" 1
1170 1 84 VAL MG1 1 85 LYS H . . 5.720 3.994 2.196 4.393 . 0 0 "[ . 1 . 2]" 1
1171 1 84 VAL MG2 1 85 LYS H . . 5.720 2.775 2.132 4.298 . 0 0 "[ . 1 . 2]" 1
1172 1 85 LYS H 1 85 LYS HB2 . . 4.170 3.883 2.764 4.167 . 0 0 "[ . 1 . 2]" 1
1173 1 85 LYS H 1 85 LYS QB . . 3.830 3.277 2.705 3.493 . 0 0 "[ . 1 . 2]" 1
1174 1 85 LYS H 1 85 LYS HB3 . . 4.170 3.625 3.276 3.975 . 0 0 "[ . 1 . 2]" 1
1175 1 85 LYS H 1 86 GLN H . . 4.630 4.350 4.211 4.429 . 0 0 "[ . 1 . 2]" 1
1176 1 85 LYS HA 1 86 GLN H . . 2.400 2.404 2.298 2.469 0.069 19 0 "[ . 1 . 2]" 1
1177 1 85 LYS QB 1 99 GLN QG . . 5.790 4.277 2.972 4.646 . 0 0 "[ . 1 . 2]" 1
1178 1 85 LYS HB2 1 99 GLN QG . . 6.380 4.647 3.169 5.755 . 0 0 "[ . 1 . 2]" 1
1179 1 85 LYS HB3 1 99 GLN QG . . 6.380 5.217 3.593 5.753 . 0 0 "[ . 1 . 2]" 1
1180 1 85 LYS QD 1 99 GLN QG . . 5.640 3.123 2.349 4.106 . 0 0 "[ . 1 . 2]" 1
1181 1 85 LYS QD 1 100 LEU QD . . 7.890 2.402 2.038 3.798 . 0 0 "[ . 1 . 2]" 1
1182 1 85 LYS QE 1 87 LEU QD . . 6.670 3.998 3.166 4.314 . 0 0 "[ . 1 . 2]" 1
1183 1 85 LYS QE 1 102 ASP QB . . 7.190 4.175 2.120 5.397 . 0 0 "[ . 1 . 2]" 1
1184 1 85 LYS QE 1 103 VAL QG . . 7.240 3.772 2.286 4.810 . 0 0 "[ . 1 . 2]" 1
1185 1 85 LYS HE2 1 87 LEU MD1 . . 8.280 5.958 4.554 6.703 . 0 0 "[ . 1 . 2]" 1
1186 1 85 LYS HE2 1 87 LEU MD2 . . 8.280 4.807 3.416 6.062 . 0 0 "[ . 1 . 2]" 1
1187 1 85 LYS HE2 1 103 VAL MG1 . . 8.280 5.228 3.184 6.815 . 0 0 "[ . 1 . 2]" 1
1188 1 85 LYS HE2 1 103 VAL MG2 . . 8.280 5.158 2.478 6.879 . 0 0 "[ . 1 . 2]" 1
1189 1 85 LYS HE3 1 87 LEU MD1 . . 8.280 6.031 4.505 6.807 . 0 0 "[ . 1 . 2]" 1
1190 1 85 LYS HE3 1 87 LEU MD2 . . 8.280 4.882 3.877 6.011 . 0 0 "[ . 1 . 2]" 1
1191 1 85 LYS HE3 1 103 VAL MG1 . . 8.280 5.274 3.911 6.848 . 0 0 "[ . 1 . 2]" 1
1192 1 85 LYS HE3 1 103 VAL MG2 . . 8.280 5.183 2.522 6.908 . 0 0 "[ . 1 . 2]" 1
1193 1 85 LYS QG 1 86 GLN H . . 4.860 3.557 2.784 4.161 . 0 0 "[ . 1 . 2]" 1
1194 1 85 LYS QG 1 99 GLN QG . . 7.250 4.272 2.392 5.659 . 0 0 "[ . 1 . 2]" 1
1195 1 85 LYS QG 1 100 LEU QD . . 6.800 2.832 2.221 4.077 . 0 0 "[ . 1 . 2]" 1
1196 1 86 GLN H 1 86 GLN HB2 . . 3.950 3.460 3.247 3.899 . 0 0 "[ . 1 . 2]" 1
1197 1 86 GLN H 1 86 GLN QB . . 3.310 2.601 2.365 3.032 . 0 0 "[ . 1 . 2]" 1
1198 1 86 GLN H 1 86 GLN HB3 . . 3.950 2.690 2.418 3.162 . 0 0 "[ . 1 . 2]" 1
1199 1 86 GLN H 1 87 LEU MD1 . . 6.530 4.755 2.768 5.497 . 0 0 "[ . 1 . 2]" 1
1200 1 86 GLN H 1 87 LEU QD . . 6.240 3.588 2.760 4.058 . 0 0 "[ . 1 . 2]" 1
1201 1 86 GLN H 1 87 LEU MD2 . . 6.530 3.981 3.305 5.493 . 0 0 "[ . 1 . 2]" 1
1202 1 86 GLN HA 1 87 LEU H . . 2.520 2.219 2.135 2.329 . 0 0 "[ . 1 . 2]" 1
1203 1 86 GLN HA 1 87 LEU QD . . 8.100 3.471 2.847 4.244 . 0 0 "[ . 1 . 2]" 1
1204 1 86 GLN QB 1 87 LEU H . . 4.080 3.470 2.429 3.778 . 0 0 "[ . 1 . 2]" 1
1205 1 86 GLN QB 1 88 ILE MG . . 7.410 4.085 3.374 4.865 . 0 0 "[ . 1 . 2]" 1
1206 1 86 GLN HB2 1 87 LEU H . . 4.660 3.764 2.456 4.162 . 0 0 "[ . 1 . 2]" 1
1207 1 86 GLN HB3 1 87 LEU H . . 4.660 4.198 3.822 4.375 . 0 0 "[ . 1 . 2]" 1
1208 1 86 GLN QG 1 88 ILE MD . . 5.720 3.502 2.371 4.156 . 0 0 "[ . 1 . 2]" 1
1209 1 86 GLN QG 1 88 ILE QG . . 5.550 3.814 2.836 4.370 . 0 0 "[ . 1 . 2]" 1
1210 1 86 GLN QG 1 88 ILE MG . . 5.020 2.409 2.041 2.988 . 0 0 "[ . 1 . 2]" 1
1211 1 86 GLN HG2 1 88 ILE MD . . 6.160 3.639 2.415 4.503 . 0 0 "[ . 1 . 2]" 1
1212 1 86 GLN HG2 1 88 ILE QG . . 6.380 3.952 2.934 4.591 . 0 0 "[ . 1 . 2]" 1
1213 1 86 GLN HG3 1 88 ILE MD . . 6.160 4.665 3.450 5.188 . 0 0 "[ . 1 . 2]" 1
1214 1 86 GLN HG3 1 88 ILE QG . . 6.380 5.059 3.757 5.674 . 0 0 "[ . 1 . 2]" 1
1215 1 87 LEU H 1 87 LEU QB . . 3.480 2.465 2.218 2.738 . 0 0 "[ . 1 . 2]" 1
1216 1 87 LEU H 1 87 LEU MD1 . . 4.950 3.929 2.781 4.175 . 0 0 "[ . 1 . 2]" 1
1217 1 87 LEU H 1 87 LEU MD2 . . 4.950 3.120 2.557 4.150 . 0 0 "[ . 1 . 2]" 1
1218 1 87 LEU H 1 88 ILE H . . 4.570 4.397 4.340 4.471 . 0 0 "[ . 1 . 2]" 1
1219 1 87 LEU HA 1 88 ILE H . . 2.740 2.307 2.244 2.355 . 0 0 "[ . 1 . 2]" 1
1220 1 87 LEU QB 1 87 LEU HG . . 2.590 2.175 2.118 2.389 . 0 0 "[ . 1 . 2]" 1
1221 1 87 LEU QB 1 88 ILE H . . 5.170 2.799 2.498 3.030 . 0 0 "[ . 1 . 2]" 1
1222 1 87 LEU QD 1 96 LEU QD . . 6.850 2.862 1.921 3.592 . 0 0 "[ . 1 . 2]" 1
1223 1 87 LEU QD 1 99 GLN QG . . 5.960 1.984 1.874 2.196 . 0 0 "[ . 1 . 2]" 1
1224 1 87 LEU MD1 1 91 GLN QG . . 7.400 2.747 2.056 5.050 . 0 0 "[ . 1 . 2]" 1
1225 1 87 LEU MD1 1 96 LEU MD1 . . 7.520 4.351 2.106 5.231 . 0 0 "[ . 1 . 2]" 1
1226 1 87 LEU MD1 1 96 LEU MD2 . . 7.520 4.050 2.238 4.911 . 0 0 "[ . 1 . 2]" 1
1227 1 87 LEU MD1 1 99 GLN QG . . 6.470 2.163 1.979 2.949 . 0 0 "[ . 1 . 2]" 1
1228 1 87 LEU MD2 1 91 GLN QG . . 7.400 4.173 2.222 5.527 . 0 0 "[ . 1 . 2]" 1
1229 1 87 LEU MD2 1 96 LEU MD1 . . 7.520 4.183 2.374 5.131 . 0 0 "[ . 1 . 2]" 1
1230 1 87 LEU MD2 1 96 LEU MD2 . . 7.520 3.452 2.487 4.497 . 0 0 "[ . 1 . 2]" 1
1231 1 87 LEU MD2 1 99 GLN QG . . 6.470 2.579 1.933 3.684 . 0 0 "[ . 1 . 2]" 1
1232 1 87 LEU HG 1 96 LEU MD1 . . 6.530 4.013 2.713 5.428 . 0 0 "[ . 1 . 2]" 1
1233 1 87 LEU HG 1 96 LEU MD2 . . 6.530 3.608 2.236 5.108 . 0 0 "[ . 1 . 2]" 1
1234 1 88 ILE H 1 88 ILE MG . . 4.730 3.362 3.160 3.775 . 0 0 "[ . 1 . 2]" 1
1235 1 88 ILE H 1 89 GLY H . . 4.970 4.202 4.091 4.350 . 0 0 "[ . 1 . 2]" 1
1236 1 88 ILE HA 1 88 ILE HB . . 2.800 2.549 2.457 2.792 . 0 0 "[ . 1 . 2]" 1
1237 1 88 ILE HA 1 89 GLY H . . 2.490 2.161 2.052 2.278 . 0 0 "[ . 1 . 2]" 1
1238 1 88 ILE HB 1 89 GLY H . . 3.670 3.131 2.721 3.580 . 0 0 "[ . 1 . 2]" 1
1239 1 88 ILE QG 1 89 GLY H . . 6.380 4.289 3.867 4.958 . 0 0 "[ . 1 . 2]" 1
1240 1 88 ILE MG 1 89 GLY H . . 4.540 3.642 3.282 3.758 . 0 0 "[ . 1 . 2]" 1
1241 1 89 GLY QA 1 90 TYR HA . . 5.540 4.006 3.962 4.060 . 0 0 "[ . 1 . 2]" 1
1242 1 89 GLY HA2 1 90 TYR H . . 2.930 2.453 2.373 2.639 . 0 0 "[ . 1 . 2]" 1
1243 1 89 GLY HA3 1 90 TYR H . . 2.930 2.700 2.607 2.774 . 0 0 "[ . 1 . 2]" 1
1244 1 90 TYR H 1 90 TYR HB2 . . 3.520 2.600 2.422 2.789 . 0 0 "[ . 1 . 2]" 1
1245 1 90 TYR H 1 90 TYR QB . . 3.250 2.210 2.140 2.307 . 0 0 "[ . 1 . 2]" 1
1246 1 90 TYR H 1 90 TYR HB3 . . 3.520 2.402 2.271 2.569 . 0 0 "[ . 1 . 2]" 1
1247 1 90 TYR HA 1 90 TYR HB2 . . 2.960 2.423 2.371 2.473 . 0 0 "[ . 1 . 2]" 1
1248 1 90 TYR HA 1 90 TYR QB . . 2.740 2.328 2.287 2.366 . 0 0 "[ . 1 . 2]" 1
1249 1 90 TYR HA 1 90 TYR HB3 . . 2.960 3.012 3.004 3.019 0.059 2 0 "[ . 1 . 2]" 1
1250 1 90 TYR HA 1 91 GLN H . . 2.520 2.347 2.164 2.471 . 0 0 "[ . 1 . 2]" 1
1251 1 90 TYR HB2 1 91 GLN H . . 4.850 4.573 4.286 4.668 . 0 0 "[ . 1 . 2]" 1
1252 1 90 TYR HB3 1 91 GLN H . . 4.850 4.509 4.256 4.586 . 0 0 "[ . 1 . 2]" 1
1253 1 90 TYR QD 1 91 GLN HA . . 7.640 4.393 3.196 4.965 . 0 0 "[ . 1 . 2]" 1
1254 1 90 TYR QD 1 92 PRO HD2 . . 7.170 5.513 4.364 6.127 . 0 0 "[ . 1 . 2]" 1
1255 1 90 TYR QD 1 92 PRO HD3 . . 7.170 4.411 3.028 5.265 . 0 0 "[ . 1 . 2]" 1
1256 1 90 TYR QD 1 92 PRO QG . . 8.520 5.669 4.814 6.270 . 0 0 "[ . 1 . 2]" 1
1257 1 90 TYR QE 1 91 GLN H . . 7.630 5.437 4.471 6.058 . 0 0 "[ . 1 . 2]" 1
1258 1 90 TYR QE 1 91 GLN HA . . 7.630 5.606 4.245 6.162 . 0 0 "[ . 1 . 2]" 1
1259 1 90 TYR QE 1 92 PRO HA . . 7.630 3.442 2.487 4.616 . 0 0 "[ . 1 . 2]" 1
1260 1 90 TYR QE 1 92 PRO HD2 . . 7.630 5.972 4.375 6.736 . 0 0 "[ . 1 . 2]" 1
1261 1 90 TYR QE 1 92 PRO QD . . 7.430 4.534 2.682 5.499 . 0 0 "[ . 1 . 2]" 1
1262 1 90 TYR QE 1 92 PRO HD3 . . 7.630 4.723 2.706 5.841 . 0 0 "[ . 1 . 2]" 1
1263 1 90 TYR QE 1 92 PRO QG . . 8.510 5.335 3.634 6.256 . 0 0 "[ . 1 . 2]" 1
1264 1 91 GLN H 1 91 GLN HB2 . . 3.670 2.871 2.722 3.199 . 0 0 "[ . 1 . 2]" 1
1265 1 91 GLN H 1 91 GLN QB . . 3.500 2.774 2.656 3.002 . 0 0 "[ . 1 . 2]" 1
1266 1 91 GLN H 1 91 GLN HB3 . . 3.670 3.695 3.635 3.791 0.121 9 0 "[ . 1 . 2]" 1
1267 1 91 GLN H 1 92 PRO QD . . 6.380 4.408 4.224 4.493 . 0 0 "[ . 1 . 2]" 1
1268 1 91 GLN HA 1 92 PRO HD2 . . 2.860 2.259 2.164 2.359 . 0 0 "[ . 1 . 2]" 1
1269 1 91 GLN HA 1 92 PRO QD . . 2.640 2.111 2.068 2.146 . 0 0 "[ . 1 . 2]" 1
1270 1 91 GLN HA 1 92 PRO HD3 . . 2.860 2.549 2.443 2.694 . 0 0 "[ . 1 . 2]" 1
1271 1 91 GLN HA 1 96 LEU QD . . 8.100 4.951 4.626 5.734 . 0 0 "[ . 1 . 2]" 1
1272 1 91 GLN QB 1 92 PRO QD . . 4.790 2.734 2.511 2.985 . 0 0 "[ . 1 . 2]" 1
1273 1 91 GLN QB 1 95 GLN QG . . 4.200 2.632 2.377 2.974 . 0 0 "[ . 1 . 2]" 1
1274 1 91 GLN QB 1 96 LEU H . . 6.380 3.182 2.694 3.856 . 0 0 "[ . 1 . 2]" 1
1275 1 91 GLN QB 1 96 LEU QD . . 7.240 2.702 2.270 3.755 . 0 0 "[ . 1 . 2]" 1
1276 1 91 GLN QB 1 99 GLN QG . . 7.160 5.573 5.099 5.747 . 0 0 "[ . 1 . 2]" 1
1277 1 91 GLN HB2 1 92 PRO HD2 . . 5.500 3.987 3.768 4.170 . 0 0 "[ . 1 . 2]" 1
1278 1 91 GLN HB2 1 92 PRO HD3 . . 5.500 4.944 4.803 5.082 . 0 0 "[ . 1 . 2]" 1
1279 1 91 GLN HB2 1 95 GLN H . . 4.940 4.956 4.454 5.036 0.096 15 0 "[ . 1 . 2]" 1
1280 1 91 GLN HB2 1 95 GLN QG . . 4.830 4.087 3.813 4.422 . 0 0 "[ . 1 . 2]" 1
1281 1 91 GLN HB2 1 96 LEU MD1 . . 8.280 3.320 2.295 5.077 . 0 0 "[ . 1 . 2]" 1
1282 1 91 GLN HB2 1 96 LEU MD2 . . 8.280 4.078 2.342 5.122 . 0 0 "[ . 1 . 2]" 1
1283 1 91 GLN HB3 1 92 PRO HD2 . . 5.500 2.848 2.577 3.170 . 0 0 "[ . 1 . 2]" 1
1284 1 91 GLN HB3 1 92 PRO HD3 . . 5.500 4.181 3.928 4.414 . 0 0 "[ . 1 . 2]" 1
1285 1 91 GLN HB3 1 95 GLN H . . 4.940 4.497 4.205 4.943 0.003 5 0 "[ . 1 . 2]" 1
1286 1 91 GLN HB3 1 95 GLN QG . . 4.830 2.665 2.399 3.023 . 0 0 "[ . 1 . 2]" 1
1287 1 91 GLN HB3 1 96 LEU MD1 . . 8.280 4.682 3.827 6.162 . 0 0 "[ . 1 . 2]" 1
1288 1 91 GLN HB3 1 96 LEU MD2 . . 8.280 5.196 3.677 6.398 . 0 0 "[ . 1 . 2]" 1
1289 1 91 GLN QG 1 96 LEU MD1 . . 7.400 4.048 2.968 5.369 . 0 0 "[ . 1 . 2]" 1
1290 1 91 GLN QG 1 96 LEU MD2 . . 7.400 4.482 3.144 5.580 . 0 0 "[ . 1 . 2]" 1
1291 1 92 PRO HA 1 93 LYS H . . 2.550 2.428 2.291 2.557 0.007 11 0 "[ . 1 . 2]" 1
1292 1 92 PRO HA 1 94 GLU H . . 5.340 4.602 4.315 4.830 . 0 0 "[ . 1 . 2]" 1
1293 1 92 PRO QD 1 95 GLN H . . 6.380 3.892 3.645 4.169 . 0 0 "[ . 1 . 2]" 1
1294 1 92 PRO QD 1 95 GLN QB . . 5.490 2.317 2.166 2.494 . 0 0 "[ . 1 . 2]" 1
1295 1 92 PRO QD 1 95 GLN QG . . 5.600 2.933 2.660 3.112 . 0 0 "[ . 1 . 2]" 1
1296 1 92 PRO HD2 1 95 GLN HB2 . . 7.220 2.668 2.319 2.975 . 0 0 "[ . 1 . 2]" 1
1297 1 92 PRO HD2 1 95 GLN HB3 . . 7.220 2.717 2.317 3.876 . 0 0 "[ . 1 . 2]" 1
1298 1 92 PRO HD2 1 95 GLN QG . . 6.100 2.972 2.690 3.160 . 0 0 "[ . 1 . 2]" 1
1299 1 92 PRO HD3 1 95 GLN HB2 . . 7.220 4.280 3.973 4.512 . 0 0 "[ . 1 . 2]" 1
1300 1 92 PRO HD3 1 95 GLN HB3 . . 7.220 4.419 4.041 5.544 . 0 0 "[ . 1 . 2]" 1
1301 1 92 PRO HD3 1 95 GLN QG . . 6.100 4.520 4.202 4.715 . 0 0 "[ . 1 . 2]" 1
1302 1 93 LYS H 1 93 LYS HB2 . . 2.490 2.093 1.996 2.203 . 0 0 "[ . 1 . 2]" 1
1303 1 93 LYS H 1 93 LYS HB3 . . 3.330 3.293 2.859 3.440 0.110 17 0 "[ . 1 . 2]" 1
1304 1 93 LYS H 1 93 LYS QD . . 4.950 3.619 2.261 4.483 . 0 0 "[ . 1 . 2]" 1
1305 1 93 LYS H 1 94 GLU H . . 3.270 2.887 2.549 3.138 . 0 0 "[ . 1 . 2]" 1
1306 1 93 LYS H 1 96 LEU QD . . 8.100 4.938 4.409 5.360 . 0 0 "[ . 1 . 2]" 1
1307 1 93 LYS HA 1 95 GLN H . . 4.690 4.024 3.603 4.569 . 0 0 "[ . 1 . 2]" 1
1308 1 93 LYS HA 1 96 LEU HB2 . . 3.480 3.148 2.608 3.506 0.026 15 0 "[ . 1 . 2]" 1
1309 1 93 LYS HA 1 96 LEU HB3 . . 3.110 2.739 2.230 3.130 0.020 12 0 "[ . 1 . 2]" 1
1310 1 93 LYS HA 1 97 GLU QG . . 6.380 5.066 3.095 5.799 . 0 0 "[ . 1 . 2]" 1
1311 1 93 LYS HB2 1 94 GLU H . . 3.020 3.011 2.608 3.268 0.248 7 0 "[ . 1 . 2]" 1
1312 1 93 LYS HB3 1 93 LYS QE . . 4.950 3.436 2.187 4.449 . 0 0 "[ . 1 . 2]" 1
1313 1 93 LYS HB3 1 94 GLU H . . 3.020 2.780 1.925 3.086 0.066 2 0 "[ . 1 . 2]" 1
1314 1 93 LYS QD 1 94 GLU H . . 6.380 4.625 3.856 5.157 . 0 0 "[ . 1 . 2]" 1
1315 1 93 LYS QD 1 96 LEU MD1 . . 6.630 4.156 2.869 4.791 . 0 0 "[ . 1 . 2]" 1
1316 1 93 LYS QD 1 96 LEU MD2 . . 6.630 4.539 4.005 4.829 . 0 0 "[ . 1 . 2]" 1
1317 1 93 LYS QG 1 97 GLU QG . . 7.250 4.661 3.029 5.883 . 0 0 "[ . 1 . 2]" 1
1318 1 94 GLU H 1 94 GLU QB . . 3.650 2.357 2.114 2.702 . 0 0 "[ . 1 . 2]" 1
1319 1 94 GLU H 1 94 GLU HG2 . . 5.280 3.815 2.096 4.579 . 0 0 "[ . 1 . 2]" 1
1320 1 94 GLU H 1 94 GLU QG . . 4.660 2.918 1.966 4.007 . 0 0 "[ . 1 . 2]" 1
1321 1 94 GLU H 1 94 GLU HG3 . . 5.280 3.193 1.980 4.484 . 0 0 "[ . 1 . 2]" 1
1322 1 94 GLU H 1 95 GLN H . . 3.020 2.916 2.794 3.054 0.034 7 0 "[ . 1 . 2]" 1
1323 1 94 GLU HA 1 94 GLU HG2 . . 3.480 3.058 2.527 3.604 0.124 15 0 "[ . 1 . 2]" 1
1324 1 94 GLU HA 1 94 GLU QG . . 3.050 2.509 2.369 2.914 . 0 0 "[ . 1 . 2]" 1
1325 1 94 GLU HA 1 94 GLU HG3 . . 3.480 2.800 2.402 3.558 0.078 12 0 "[ . 1 . 2]" 1
1326 1 94 GLU HA 1 96 LEU H . . 5.100 4.766 4.205 5.044 . 0 0 "[ . 1 . 2]" 1
1327 1 94 GLU HA 1 97 GLU H . . 4.690 4.095 3.271 4.422 . 0 0 "[ . 1 . 2]" 1
1328 1 94 GLU HA 1 97 GLU QB . . 4.020 3.425 2.813 3.729 . 0 0 "[ . 1 . 2]" 1
1329 1 94 GLU HA 1 97 GLU QG . . 6.380 4.984 3.852 5.599 . 0 0 "[ . 1 . 2]" 1
1330 1 95 GLN H 1 95 GLN QG . . 4.920 3.986 3.666 4.107 . 0 0 "[ . 1 . 2]" 1
1331 1 95 GLN H 1 96 LEU H . . 2.650 2.099 1.900 2.326 . 0 0 "[ . 1 . 2]" 1
1332 1 95 GLN H 1 97 GLU H . . 4.140 3.908 3.551 4.203 0.063 19 0 "[ . 1 . 2]" 1
1333 1 95 GLN H 1 99 GLN H . . 5.470 5.551 5.465 5.612 0.142 8 0 "[ . 1 . 2]" 1
1334 1 95 GLN HA 1 98 ALA H . . 3.550 3.545 3.374 3.665 0.115 13 0 "[ . 1 . 2]" 1
1335 1 95 GLN HA 1 98 ALA MB . . 3.770 2.527 2.338 2.770 . 0 0 "[ . 1 . 2]" 1
1336 1 95 GLN HA 1 99 GLN H . . 5.130 3.835 3.486 4.172 . 0 0 "[ . 1 . 2]" 1
1337 1 95 GLN HB2 1 96 LEU H . . 3.360 3.419 2.689 3.575 0.215 6 0 "[ . 1 . 2]" 1
1338 1 95 GLN HB3 1 96 LEU H . . 3.360 2.450 2.159 3.369 0.009 19 0 "[ . 1 . 2]" 1
1339 1 95 GLN QG 1 96 LEU H . . 6.380 3.947 3.343 4.656 . 0 0 "[ . 1 . 2]" 1
1340 1 96 LEU H 1 96 LEU HB2 . . 2.930 2.093 1.974 2.231 . 0 0 "[ . 1 . 2]" 1
1341 1 96 LEU H 1 96 LEU HB3 . . 2.800 2.802 2.627 2.916 0.116 3 0 "[ . 1 . 2]" 1
1342 1 96 LEU H 1 97 GLU H . . 2.990 2.928 2.775 3.027 0.037 15 0 "[ . 1 . 2]" 1
1343 1 96 LEU H 1 98 ALA H . . 3.830 3.867 3.815 3.912 0.082 20 0 "[ . 1 . 2]" 1
1344 1 96 LEU H 1 100 LEU QD . . 8.100 5.923 5.013 6.071 . 0 0 "[ . 1 . 2]" 1
1345 1 96 LEU HA 1 96 LEU HB2 . . 2.740 2.643 2.539 2.756 0.016 3 0 "[ . 1 . 2]" 1
1346 1 96 LEU HA 1 96 LEU HB3 . . 2.860 2.978 2.937 2.996 0.136 11 0 "[ . 1 . 2]" 1
1347 1 96 LEU HA 1 98 ALA H . . 5.500 4.286 4.024 4.495 . 0 0 "[ . 1 . 2]" 1
1348 1 96 LEU HA 1 99 GLN HB2 . . 4.140 3.755 2.887 4.228 0.088 19 0 "[ . 1 . 2]" 1
1349 1 96 LEU HA 1 99 GLN QB . . 3.760 2.965 2.661 3.432 . 0 0 "[ . 1 . 2]" 1
1350 1 96 LEU HA 1 99 GLN HB3 . . 4.140 3.225 2.738 4.186 0.046 16 0 "[ . 1 . 2]" 1
1351 1 96 LEU HA 1 100 LEU QB . . 4.860 4.028 3.692 4.164 . 0 0 "[ . 1 . 2]" 1
1352 1 96 LEU HA 1 100 LEU MD1 . . 6.530 4.194 2.817 4.907 . 0 0 "[ . 1 . 2]" 1
1353 1 96 LEU HA 1 100 LEU QD . . 5.750 3.944 2.808 4.205 . 0 0 "[ . 1 . 2]" 1
1354 1 96 LEU HA 1 100 LEU MD2 . . 6.530 4.949 4.466 5.514 . 0 0 "[ . 1 . 2]" 1
1355 1 96 LEU HB2 1 97 GLU H . . 3.640 3.460 3.333 3.649 0.009 17 0 "[ . 1 . 2]" 1
1356 1 96 LEU HB2 1 98 ALA H . . 5.190 5.269 5.210 5.347 0.157 4 0 "[ . 1 . 2]" 1
1357 1 96 LEU HB3 1 97 GLU H . . 3.610 2.311 2.069 2.519 . 0 0 "[ . 1 . 2]" 1
1358 1 96 LEU HB3 1 98 ALA H . . 5.500 4.656 4.490 4.898 . 0 0 "[ . 1 . 2]" 1
1359 1 96 LEU QD 1 97 GLU H . . 8.100 3.455 3.100 3.807 . 0 0 "[ . 1 . 2]" 1
1360 1 96 LEU QD 1 97 GLU QB . . 8.980 4.123 3.401 4.796 . 0 0 "[ . 1 . 2]" 1
1361 1 96 LEU QD 1 99 GLN QB . . 8.980 3.849 3.375 4.519 . 0 0 "[ . 1 . 2]" 1
1362 1 96 LEU QD 1 100 LEU QB . . 6.520 2.595 2.357 3.060 . 0 0 "[ . 1 . 2]" 1
1363 1 96 LEU MD1 1 100 LEU HB2 . . 8.280 4.658 2.467 5.616 . 0 0 "[ . 1 . 2]" 1
1364 1 96 LEU MD1 1 100 LEU HB3 . . 8.280 5.549 3.312 6.438 . 0 0 "[ . 1 . 2]" 1
1365 1 96 LEU MD2 1 100 LEU HB2 . . 8.280 3.249 2.407 5.114 . 0 0 "[ . 1 . 2]" 1
1366 1 96 LEU MD2 1 100 LEU HB3 . . 8.280 4.279 3.384 6.275 . 0 0 "[ . 1 . 2]" 1
1367 1 97 GLU H 1 97 GLU HB2 . . 3.240 2.198 2.043 2.397 . 0 0 "[ . 1 . 2]" 1
1368 1 97 GLU H 1 97 GLU QB . . 2.810 2.125 2.026 2.263 . 0 0 "[ . 1 . 2]" 1
1369 1 97 GLU H 1 97 GLU HB3 . . 3.240 2.983 2.552 3.445 0.205 19 0 "[ . 1 . 2]" 1
1370 1 97 GLU H 1 97 GLU QG . . 4.890 3.454 2.105 4.043 . 0 0 "[ . 1 . 2]" 1
1371 1 97 GLU H 1 98 ALA H . . 2.960 2.670 2.630 2.729 . 0 0 "[ . 1 . 2]" 1
1372 1 97 GLU H 1 98 ALA MB . . 6.530 4.459 4.395 4.556 . 0 0 "[ . 1 . 2]" 1
1373 1 97 GLU H 1 99 GLN H . . 4.480 4.417 4.182 4.498 0.018 19 0 "[ . 1 . 2]" 1
1374 1 97 GLU HA 1 97 GLU HB2 . . 2.990 2.763 2.549 3.023 0.033 17 0 "[ . 1 . 2]" 1
1375 1 97 GLU HA 1 97 GLU HB3 . . 2.990 2.884 2.471 3.034 0.044 2 0 "[ . 1 . 2]" 1
1376 1 97 GLU HA 1 100 LEU HB2 . . 4.380 3.259 2.311 4.010 . 0 0 "[ . 1 . 2]" 1
1377 1 97 GLU HA 1 100 LEU QB . . 4.230 2.840 2.272 3.294 . 0 0 "[ . 1 . 2]" 1
1378 1 97 GLU HA 1 100 LEU HB3 . . 4.380 3.183 2.504 3.754 . 0 0 "[ . 1 . 2]" 1
1379 1 97 GLU QB 1 98 ALA H . . 3.780 2.957 2.650 3.239 . 0 0 "[ . 1 . 2]" 1
1380 1 97 GLU QB 1 104 LEU QD . . 7.240 4.561 4.041 4.986 . 0 0 "[ . 1 . 2]" 1
1381 1 97 GLU HB2 1 104 LEU MD1 . . 8.280 6.565 5.802 7.076 . 0 0 "[ . 1 . 2]" 1
1382 1 97 GLU HB2 1 104 LEU MD2 . . 8.280 5.505 4.548 6.889 . 0 0 "[ . 1 . 2]" 1
1383 1 97 GLU HB3 1 104 LEU MD1 . . 8.280 6.561 5.716 7.005 . 0 0 "[ . 1 . 2]" 1
1384 1 97 GLU HB3 1 104 LEU MD2 . . 8.280 5.479 4.312 6.873 . 0 0 "[ . 1 . 2]" 1
1385 1 97 GLU QG 1 104 LEU QD . . 8.970 3.668 2.662 4.663 . 0 0 "[ . 1 . 2]" 1
1386 1 98 ALA H 1 98 ALA HA . . 2.930 2.925 2.868 2.954 0.024 13 0 "[ . 1 . 2]" 1
1387 1 98 ALA H 1 98 ALA MB . . 3.580 2.314 2.290 2.336 . 0 0 "[ . 1 . 2]" 1
1388 1 98 ALA H 1 99 GLN H . . 2.960 2.601 2.412 2.831 . 0 0 "[ . 1 . 2]" 1
1389 1 98 ALA HA 1 101 ALA H . . 3.450 3.465 3.382 3.535 0.085 9 0 "[ . 1 . 2]" 1
1390 1 98 ALA HA 1 101 ALA MB . . 3.610 2.522 2.280 2.962 . 0 0 "[ . 1 . 2]" 1
1391 1 99 GLN H 1 99 GLN QG . . 4.450 3.994 3.687 4.066 . 0 0 "[ . 1 . 2]" 1
1392 1 99 GLN H 1 100 LEU H . . 2.830 2.677 2.582 2.771 . 0 0 "[ . 1 . 2]" 1
1393 1 99 GLN H 1 101 ALA H . . 4.380 4.084 3.919 4.359 . 0 0 "[ . 1 . 2]" 1
1394 1 99 GLN HA 1 99 GLN QB . . 2.730 2.451 2.345 2.583 . 0 0 "[ . 1 . 2]" 1
1395 1 99 GLN HA 1 100 LEU H . . 3.640 3.518 3.404 3.619 . 0 0 "[ . 1 . 2]" 1
1396 1 99 GLN HA 1 100 LEU QD . . 8.100 4.855 4.428 5.260 . 0 0 "[ . 1 . 2]" 1
1397 1 99 GLN HA 1 102 ASP H . . 5.500 5.361 4.677 5.610 0.110 18 0 "[ . 1 . 2]" 1
1398 1 99 GLN QB 1 100 LEU H . . 3.380 2.669 2.408 3.154 . 0 0 "[ . 1 . 2]" 1
1399 1 99 GLN QB 1 100 LEU QD . . 6.900 3.236 2.714 3.794 . 0 0 "[ . 1 . 2]" 1
1400 1 99 GLN HB2 1 100 LEU H . . 3.760 3.734 2.799 3.890 0.130 4 0 "[ . 1 . 2]" 1
1401 1 99 GLN HB2 1 100 LEU MD1 . . 8.680 4.740 3.710 5.376 . 0 0 "[ . 1 . 2]" 1
1402 1 99 GLN HB2 1 100 LEU MD2 . . 8.680 6.447 5.025 7.060 . 0 0 "[ . 1 . 2]" 1
1403 1 99 GLN HB3 1 100 LEU H . . 3.760 2.761 2.434 3.481 . 0 0 "[ . 1 . 2]" 1
1404 1 99 GLN HB3 1 100 LEU MD1 . . 8.680 3.350 2.808 3.994 . 0 0 "[ . 1 . 2]" 1
1405 1 99 GLN HB3 1 100 LEU MD2 . . 8.680 5.142 4.357 5.661 . 0 0 "[ . 1 . 2]" 1
1406 1 99 GLN QG 1 100 LEU H . . 6.380 4.019 3.269 4.715 . 0 0 "[ . 1 . 2]" 1
1407 1 100 LEU H 1 100 LEU HB2 . . 3.080 2.168 1.978 2.464 . 0 0 "[ . 1 . 2]" 1
1408 1 100 LEU H 1 100 LEU HB3 . . 3.080 3.081 2.935 3.286 0.206 15 0 "[ . 1 . 2]" 1
1409 1 100 LEU H 1 100 LEU MD1 . . 5.350 3.343 2.992 3.862 . 0 0 "[ . 1 . 2]" 1
1410 1 100 LEU H 1 100 LEU QD . . 4.990 3.222 2.917 3.612 . 0 0 "[ . 1 . 2]" 1
1411 1 100 LEU H 1 100 LEU MD2 . . 5.350 4.247 3.969 4.426 . 0 0 "[ . 1 . 2]" 1
1412 1 100 LEU H 1 101 ALA H . . 2.740 2.602 2.142 2.750 0.010 15 0 "[ . 1 . 2]" 1
1413 1 100 LEU HA 1 100 LEU HB2 . . 2.900 2.835 2.726 2.987 0.087 15 0 "[ . 1 . 2]" 1
1414 1 100 LEU HA 1 100 LEU QB . . 2.700 2.546 2.480 2.568 . 0 0 "[ . 1 . 2]" 1
1415 1 100 LEU HA 1 100 LEU HB3 . . 2.900 2.891 2.649 2.957 0.057 8 0 "[ . 1 . 2]" 1
1416 1 100 LEU HA 1 100 LEU HG . . 2.800 2.425 2.241 2.751 . 0 0 "[ . 1 . 2]" 1
1417 1 100 LEU HA 1 101 ALA H . . 3.390 3.361 3.294 3.415 0.025 15 0 "[ . 1 . 2]" 1
1418 1 100 LEU HA 1 102 ASP H . . 3.890 3.649 3.277 3.985 0.095 5 0 "[ . 1 . 2]" 1
1419 1 100 LEU HA 1 103 VAL H . . 4.070 3.916 3.511 4.133 0.063 17 0 "[ . 1 . 2]" 1
1420 1 100 LEU HA 1 103 VAL HB . . 5.500 4.911 3.873 5.525 0.025 6 0 "[ . 1 . 2]" 1
1421 1 100 LEU QB 1 101 ALA H . . 5.420 3.459 3.241 3.584 . 0 0 "[ . 1 . 2]" 1
1422 1 100 LEU QB 1 103 VAL H . . 5.540 4.479 4.242 4.763 . 0 0 "[ . 1 . 2]" 1
1423 1 100 LEU QD 1 101 ALA H . . 8.100 4.506 4.433 4.580 . 0 0 "[ . 1 . 2]" 1
1424 1 100 LEU QD 1 102 ASP H . . 8.100 5.094 4.730 5.328 . 0 0 "[ . 1 . 2]" 1
1425 1 100 LEU QD 1 103 VAL H . . 8.100 4.678 4.301 4.982 . 0 0 "[ . 1 . 2]" 1
1426 1 100 LEU QD 1 103 VAL HB . . 7.730 4.448 3.536 4.990 . 0 0 "[ . 1 . 2]" 1
1427 1 100 LEU QD 1 103 VAL QG . . 10.690 2.985 2.391 3.440 . 0 0 "[ . 1 . 2]" 1
1428 1 100 LEU QD 1 104 LEU H . . 8.100 5.060 4.621 5.468 . 0 0 "[ . 1 . 2]" 1
1429 1 101 ALA H 1 101 ALA HA . . 2.830 2.735 2.659 2.796 . 0 0 "[ . 1 . 2]" 1
1430 1 101 ALA H 1 101 ALA MB . . 3.550 2.215 2.150 2.263 . 0 0 "[ . 1 . 2]" 1
1431 1 101 ALA H 1 102 ASP H . . 3.270 2.995 2.843 3.225 . 0 0 "[ . 1 . 2]" 1
1432 1 101 ALA H 1 103 VAL H . . 4.510 4.432 4.309 4.552 0.042 9 0 "[ . 1 . 2]" 1
1433 1 101 ALA H 1 104 LEU H . . 4.850 4.747 4.466 4.894 0.044 9 0 "[ . 1 . 2]" 1
1434 1 101 ALA H 1 104 LEU QD . . 8.100 4.091 3.515 4.915 . 0 0 "[ . 1 . 2]" 1
1435 1 101 ALA HA 1 102 ASP H . . 3.610 3.553 3.463 3.622 0.012 9 0 "[ . 1 . 2]" 1
1436 1 101 ALA HA 1 103 VAL H . . 4.720 3.700 3.399 3.910 . 0 0 "[ . 1 . 2]" 1
1437 1 101 ALA HA 1 104 LEU H . . 3.550 2.885 2.625 3.052 . 0 0 "[ . 1 . 2]" 1
1438 1 101 ALA HA 1 104 LEU HB2 . . 3.330 2.138 1.978 2.494 . 0 0 "[ . 1 . 2]" 1
1439 1 101 ALA HA 1 104 LEU QB . . 2.930 2.114 1.967 2.432 . 0 0 "[ . 1 . 2]" 1
1440 1 101 ALA HA 1 104 LEU HB3 . . 3.330 3.411 3.341 3.506 0.176 17 0 "[ . 1 . 2]" 1
1441 1 101 ALA HA 1 104 LEU QD . . 5.960 3.308 2.721 4.087 . 0 0 "[ . 1 . 2]" 1
1442 1 101 ALA HA 1 104 LEU HG . . 4.820 4.367 4.088 4.755 . 0 0 "[ . 1 . 2]" 1
1443 1 101 ALA HA 1 105 GLN H . . 5.100 3.688 3.268 4.076 . 0 0 "[ . 1 . 2]" 1
1444 1 101 ALA MB 1 102 ASP H . . 4.140 2.883 2.695 3.272 . 0 0 "[ . 1 . 2]" 1
1445 1 101 ALA MB 1 104 LEU QD . . 9.130 4.319 3.875 4.931 . 0 0 "[ . 1 . 2]" 1
1446 1 102 ASP H 1 102 ASP HA . . 2.900 2.888 2.815 2.943 0.043 10 0 "[ . 1 . 2]" 1
1447 1 102 ASP H 1 103 VAL H . . 2.800 2.704 2.350 2.895 0.095 16 0 "[ . 1 . 2]" 1
1448 1 102 ASP H 1 103 VAL QG . . 7.530 4.288 3.335 4.914 . 0 0 "[ . 1 . 2]" 1
1449 1 102 ASP H 1 104 LEU H . . 4.070 3.929 3.620 4.081 0.011 1 0 "[ . 1 . 2]" 1
1450 1 102 ASP HA 1 102 ASP HB2 . . 3.020 2.496 2.240 3.024 0.004 19 0 "[ . 1 . 2]" 1
1451 1 102 ASP HA 1 102 ASP HB3 . . 3.020 2.577 2.338 3.054 0.034 16 0 "[ . 1 . 2]" 1
1452 1 102 ASP HA 1 103 VAL H . . 3.480 3.412 2.883 3.533 0.053 8 0 "[ . 1 . 2]" 1
1453 1 102 ASP HA 1 105 GLN H . . 4.230 3.829 3.576 4.008 . 0 0 "[ . 1 . 2]" 1
1454 1 102 ASP HA 1 105 GLN HB2 . . 3.700 3.345 2.450 3.727 0.027 16 0 "[ . 1 . 2]" 1
1455 1 102 ASP HA 1 105 GLN QB . . 3.330 3.052 2.423 3.201 . 0 0 "[ . 1 . 2]" 1
1456 1 102 ASP HA 1 105 GLN HB3 . . 3.700 3.631 3.373 3.816 0.116 10 0 "[ . 1 . 2]" 1
1457 1 102 ASP QB 1 103 VAL QG . . 7.240 4.122 2.471 4.749 . 0 0 "[ . 1 . 2]" 1
1458 1 102 ASP HB2 1 103 VAL MG1 . . 8.280 5.491 3.531 6.618 . 0 0 "[ . 1 . 2]" 1
1459 1 102 ASP HB2 1 103 VAL MG2 . . 8.280 4.928 2.547 6.849 . 0 0 "[ . 1 . 2]" 1
1460 1 102 ASP HB3 1 103 VAL MG1 . . 8.280 5.839 4.671 6.835 . 0 0 "[ . 1 . 2]" 1
1461 1 102 ASP HB3 1 103 VAL MG2 . . 8.280 5.493 4.093 6.552 . 0 0 "[ . 1 . 2]" 1
1462 1 103 VAL H 1 103 VAL HB . . 3.330 2.985 2.409 3.546 0.216 8 0 "[ . 1 . 2]" 1
1463 1 103 VAL H 1 103 VAL QG . . 4.010 2.585 2.038 3.082 . 0 0 "[ . 1 . 2]" 1
1464 1 103 VAL H 1 104 LEU H . . 2.550 2.030 1.757 2.162 . 0 0 "[ . 1 . 2]" 1
1465 1 103 VAL H 1 104 LEU QB . . 4.610 3.744 3.498 3.863 . 0 0 "[ . 1 . 2]" 1
1466 1 103 VAL H 1 104 LEU QD . . 8.100 3.374 3.018 3.704 . 0 0 "[ . 1 . 2]" 1
1467 1 103 VAL HA 1 103 VAL HB . . 2.830 2.724 2.487 2.979 0.149 12 0 "[ . 1 . 2]" 1
1468 1 103 VAL HA 1 104 LEU MD1 . . 6.530 5.149 4.868 5.438 . 0 0 "[ . 1 . 2]" 1
1469 1 103 VAL HA 1 104 LEU MD2 . . 6.530 4.583 4.065 4.994 . 0 0 "[ . 1 . 2]" 1
1470 1 103 VAL HB 1 104 LEU H . . 4.450 4.109 3.636 4.394 . 0 0 "[ . 1 . 2]" 1
1471 1 103 VAL HB 1 104 LEU MD1 . . 6.530 5.164 4.649 5.371 . 0 0 "[ . 1 . 2]" 1
1472 1 103 VAL HB 1 104 LEU MD2 . . 6.530 3.877 2.598 4.668 . 0 0 "[ . 1 . 2]" 1
1473 1 103 VAL QG 1 104 LEU H . . 6.350 3.227 2.713 3.726 . 0 0 "[ . 1 . 2]" 1
1474 1 103 VAL QG 1 104 LEU QD . . 8.150 2.382 1.931 3.375 . 0 0 "[ . 1 . 2]" 1
1475 1 103 VAL QG 1 105 GLN H . . 8.090 4.459 4.091 4.797 . 0 0 "[ . 1 . 2]" 1
1476 1 103 VAL MG1 1 104 LEU MD1 . . 10.680 3.688 2.717 5.908 . 0 0 "[ . 1 . 2]" 1
1477 1 103 VAL MG1 1 104 LEU MD2 . . 10.680 2.824 1.973 4.692 . 0 0 "[ . 1 . 2]" 1
1478 1 103 VAL MG2 1 104 LEU MD1 . . 10.680 4.719 3.642 5.692 . 0 0 "[ . 1 . 2]" 1
1479 1 103 VAL MG2 1 104 LEU MD2 . . 10.680 4.045 2.692 4.725 . 0 0 "[ . 1 . 2]" 1
1480 1 104 LEU H 1 104 LEU HB2 . . 3.330 2.249 2.136 2.430 . 0 0 "[ . 1 . 2]" 1
1481 1 104 LEU H 1 104 LEU QB . . 2.960 2.220 2.115 2.383 . 0 0 "[ . 1 . 2]" 1
1482 1 104 LEU H 1 104 LEU HB3 . . 3.330 3.436 3.405 3.474 0.144 17 0 "[ . 1 . 2]" 1
1483 1 104 LEU H 1 105 GLN H . . 2.400 2.186 1.940 2.474 0.074 16 0 "[ . 1 . 2]" 1
1484 1 104 LEU H 1 105 GLN QB . . 6.350 3.832 3.617 4.152 . 0 0 "[ . 1 . 2]" 1
1485 1 104 LEU QB 1 104 LEU HG . . 2.340 2.144 2.106 2.176 . 0 0 "[ . 1 . 2]" 1
1486 1 104 LEU QB 1 105 GLN H . . 4.140 3.231 2.930 3.522 . 0 0 "[ . 1 . 2]" 1
1487 1 104 LEU HB2 1 104 LEU HG . . 2.590 2.561 2.434 2.640 0.050 14 0 "[ . 1 . 2]" 1
1488 1 104 LEU HB2 1 105 GLN H . . 4.350 3.450 3.082 3.804 . 0 0 "[ . 1 . 2]" 1
1489 1 104 LEU HB3 1 104 LEU HG . . 2.590 2.309 2.213 2.450 . 0 0 "[ . 1 . 2]" 1
1490 1 104 LEU HB3 1 105 GLN H . . 4.350 3.905 3.664 4.193 . 0 0 "[ . 1 . 2]" 1
1491 1 104 LEU QD 1 105 GLN H . . 8.100 4.084 3.990 4.216 . 0 0 "[ . 1 . 2]" 1
1492 1 105 GLN H 1 105 GLN HB2 . . 3.450 2.415 2.096 2.721 . 0 0 "[ . 1 . 2]" 1
1493 1 105 GLN H 1 105 GLN QB . . 3.090 2.133 2.065 2.200 . 0 0 "[ . 1 . 2]" 1
1494 1 105 GLN H 1 105 GLN HB3 . . 3.450 2.444 2.177 3.273 . 0 0 "[ . 1 . 2]" 1
1495 1 105 GLN HA 1 105 GLN HB2 . . 2.900 2.475 2.325 2.918 0.018 10 0 "[ . 1 . 2]" 1
1496 1 105 GLN HA 1 105 GLN QB . . 2.620 2.359 2.248 2.552 . 0 0 "[ . 1 . 2]" 1
1497 1 105 GLN HA 1 105 GLN HB3 . . 2.900 3.002 2.816 3.023 0.123 5 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Sunday, June 30, 2024 7:42:55 PM GMT (wattos1)