NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
618118 |
5o2v   |
34144 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5o2v
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 947
_Distance_constraint_stats_list.Viol_count 1116
_Distance_constraint_stats_list.Viol_total 1413.815
_Distance_constraint_stats_list.Viol_max 0.914
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0633
_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 2 GLU 0.113 0.040 12 0 "[ . 1 . 2]"
1 3 ASP 0.113 0.040 12 0 "[ . 1 . 2]"
1 4 GLU 0.011 0.011 6 0 "[ . 1 . 2]"
1 5 MET 0.935 0.154 12 0 "[ . 1 . 2]"
1 6 PRO 0.891 0.154 2 0 "[ . 1 . 2]"
1 7 LYS 1.840 0.110 20 0 "[ . 1 . 2]"
1 8 THR 0.266 0.062 19 0 "[ . 1 . 2]"
1 9 LEU 0.080 0.030 20 0 "[ . 1 . 2]"
1 10 TYR 1.390 0.107 19 0 "[ . 1 . 2]"
1 11 VAL 0.632 0.294 19 0 "[ . 1 . 2]"
1 12 GLY 0.642 0.109 20 0 "[ . 1 . 2]"
1 13 ASN 0.351 0.075 14 0 "[ . 1 . 2]"
1 14 LEU 3.572 0.176 14 0 "[ . 1 . 2]"
1 15 SER 2.622 0.243 4 0 "[ . 1 . 2]"
1 16 ARG 0.441 0.191 8 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 2.425 0.114 11 0 "[ . 1 . 2]"
1 19 THR 1.205 0.077 14 0 "[ . 1 . 2]"
1 20 GLU 0.518 0.124 14 0 "[ . 1 . 2]"
1 21 ALA 0.613 0.085 14 0 "[ . 1 . 2]"
1 22 LEU 1.691 0.084 14 0 "[ . 1 . 2]"
1 23 ILE 2.330 0.223 8 0 "[ . 1 . 2]"
1 24 LEU 1.806 0.239 8 0 "[ . 1 . 2]"
1 25 GLN 0.893 0.057 11 0 "[ . 1 . 2]"
1 26 LEU 4.121 0.239 14 0 "[ . 1 . 2]"
1 27 PHE 0.301 0.070 5 0 "[ . 1 . 2]"
1 28 SER 0.012 0.012 19 0 "[ . 1 . 2]"
1 29 GLN 0.512 0.057 11 0 "[ . 1 . 2]"
1 30 ILE 2.910 0.276 20 0 "[ . 1 . 2]"
1 31 GLY 1.414 0.111 20 0 "[ . 1 . 2]"
1 32 PRO 1.030 0.109 3 0 "[ . 1 . 2]"
1 33 CYS 0.502 0.081 19 0 "[ . 1 . 2]"
1 34 LYS 0.555 0.133 5 0 "[ . 1 . 2]"
1 35 ASN 0.935 0.162 8 0 "[ . 1 . 2]"
1 36 CYS 1.644 0.202 20 0 "[ . 1 . 2]"
1 37 LYS 4.584 0.343 5 0 "[ . 1 . 2]"
1 38 MET 3.509 0.343 5 0 "[ . 1 . 2]"
1 39 ILE 1.246 0.089 10 0 "[ . 1 . 2]"
1 40 MET 2.044 0.210 10 0 "[ . 1 . 2]"
1 41 ASP 5.509 0.884 1 1 "[+ . 1 . 2]"
1 42 THR 3.463 0.884 1 1 "[+ . 1 . 2]"
1 43 ALA 0.067 0.067 8 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 0.839 0.290 11 0 "[ . 1 . 2]"
1 46 ASP 0.839 0.290 11 0 "[ . 1 . 2]"
1 47 PRO 0.595 0.061 1 0 "[ . 1 . 2]"
1 48 TYR 0.827 0.061 1 0 "[ . 1 . 2]"
1 49 CYS 1.026 0.294 19 0 "[ . 1 . 2]"
1 50 PHE 2.417 0.140 10 0 "[ . 1 . 2]"
1 51 VAL 0.346 0.084 14 0 "[ . 1 . 2]"
1 52 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PHE 0.529 0.111 7 0 "[ . 1 . 2]"
1 54 HIS 2.837 0.206 3 0 "[ . 1 . 2]"
1 55 GLU 10.783 0.734 19 9 "[* - .* * * *** +2]"
1 56 HIS 2.296 0.154 2 0 "[ . 1 . 2]"
1 57 ARG 6.285 0.734 19 9 "[* - .* * * *** +2]"
1 58 HIS 8.427 0.914 7 3 "[ - . + 1 . *]"
1 59 ALA 1.879 0.139 7 0 "[ . 1 . 2]"
1 60 ALA 2.613 0.276 20 0 "[ . 1 . 2]"
1 61 ALA 0.384 0.233 20 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 1.012 0.150 14 0 "[ . 1 . 2]"
1 64 ALA 0.057 0.057 7 0 "[ . 1 . 2]"
1 65 ALA 0.235 0.103 2 0 "[ . 1 . 2]"
1 66 MET 0.557 0.092 4 0 "[ . 1 . 2]"
1 67 ASN 0.247 0.103 2 0 "[ . 1 . 2]"
1 68 GLY 0.799 0.192 19 0 "[ . 1 . 2]"
1 69 ARG 2.509 0.166 16 0 "[ . 1 . 2]"
1 70 LYS 1.876 0.166 16 0 "[ . 1 . 2]"
1 71 ILE 0.996 0.156 16 0 "[ . 1 . 2]"
1 72 MET 0.871 0.133 3 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 1.112 0.243 4 0 "[ . 1 . 2]"
1 75 GLU 1.372 0.137 18 0 "[ . 1 . 2]"
1 76 VAL 5.452 0.347 10 0 "[ . 1 . 2]"
1 77 LYS 4.038 0.347 10 0 "[ . 1 . 2]"
1 78 VAL 1.670 0.230 13 0 "[ . 1 . 2]"
1 79 ASN 0.505 0.047 15 0 "[ . 1 . 2]"
1 80 TRP 0.970 0.084 9 0 "[ . 1 . 2]"
1 81 ALA 0.944 0.107 19 0 "[ . 1 . 2]"
1 82 THR 2.275 0.236 1 0 "[ . 1 . 2]"
1 83 THR 1.850 0.236 1 0 "[ . 1 . 2]"
1 84 PRO 0.008 0.008 15 0 "[ . 1 . 2]"
1 87 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LYS 0.001 0.001 10 0 "[ . 1 . 2]"
1 89 LYS 0.001 0.001 10 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU H 1 2 GLU QG . . 4.100 2.562 1.939 4.046 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU HA 1 2 GLU QG . . 3.530 2.852 2.356 3.522 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU QB 1 3 ASP H . . 3.910 3.066 2.510 3.670 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU HB2 1 3 ASP H . . 4.690 3.265 2.556 4.082 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU HB3 1 3 ASP H . . 4.690 3.929 3.133 4.160 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU QG 1 3 ASP H . . 4.570 3.709 2.246 4.610 0.040 12 0 "[ . 1 . 2]" 1
7 1 3 ASP H 1 3 ASP QB . . 3.480 2.564 2.228 2.879 . 0 0 "[ . 1 . 2]" 1
8 1 3 ASP HA 1 4 GLU H . . 3.570 3.416 3.236 3.543 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASP QB 1 4 GLU H . . 4.140 3.307 2.451 3.848 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 4 GLU QB . . 3.470 2.397 2.151 2.685 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 4 GLU QG . . 4.100 2.797 1.887 4.111 0.011 6 0 "[ . 1 . 2]" 1
12 1 4 GLU HA 1 4 GLU QG . . 3.690 2.732 2.361 3.328 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU HA 1 5 MET H . . 3.550 3.355 2.993 3.536 . 0 0 "[ . 1 . 2]" 1
14 1 5 MET H 1 5 MET QB . . 3.550 2.679 2.514 3.149 . 0 0 "[ . 1 . 2]" 1
15 1 5 MET H 1 5 MET HG2 . . 3.970 3.629 2.131 4.022 0.052 11 0 "[ . 1 . 2]" 1
16 1 5 MET H 1 5 MET QG . . 3.480 2.779 2.087 3.034 . 0 0 "[ . 1 . 2]" 1
17 1 5 MET H 1 5 MET HG3 . . 3.970 3.067 2.802 4.124 0.154 12 0 "[ . 1 . 2]" 1
18 1 5 MET H 1 6 PRO HD2 . . 4.460 4.291 3.848 4.509 0.049 5 0 "[ . 1 . 2]" 1
19 1 5 MET H 1 6 PRO HD3 . . 4.460 3.412 2.962 4.180 . 0 0 "[ . 1 . 2]" 1
20 1 5 MET H 1 82 THR MG . . 4.640 4.402 3.643 4.700 0.060 18 0 "[ . 1 . 2]" 1
21 1 5 MET HA 1 6 PRO HD2 . . 3.600 2.227 1.852 2.777 . 0 0 "[ . 1 . 2]" 1
22 1 5 MET HA 1 6 PRO QD . . 3.130 2.078 1.816 2.341 . 0 0 "[ . 1 . 2]" 1
23 1 5 MET HA 1 6 PRO HD3 . . 3.600 2.693 2.370 3.146 . 0 0 "[ . 1 . 2]" 1
24 1 6 PRO QB 1 7 LYS H . . 4.060 3.096 2.108 3.824 . 0 0 "[ . 1 . 2]" 1
25 1 6 PRO QB 1 56 HIS HE1 . . 4.560 4.048 2.688 4.714 0.154 2 0 "[ . 1 . 2]" 1
26 1 6 PRO QD 1 56 HIS HE1 . . 3.660 2.236 1.620 2.697 . 0 0 "[ . 1 . 2]" 1
27 1 6 PRO QD 1 82 THR MG . . 3.800 2.813 2.161 3.552 . 0 0 "[ . 1 . 2]" 1
28 1 6 PRO HD2 1 56 HIS HE1 . . 4.440 2.254 1.627 2.733 . 0 0 "[ . 1 . 2]" 1
29 1 6 PRO HD2 1 82 THR MG . . 4.560 4.119 3.351 4.628 0.068 15 0 "[ . 1 . 2]" 1
30 1 6 PRO HD3 1 56 HIS HE1 . . 4.440 3.798 2.773 4.351 . 0 0 "[ . 1 . 2]" 1
31 1 6 PRO HD3 1 82 THR MG . . 4.560 2.871 2.181 3.697 . 0 0 "[ . 1 . 2]" 1
32 1 6 PRO QG 1 56 HIS HE1 . . 4.000 3.178 1.796 4.015 0.015 4 0 "[ . 1 . 2]" 1
33 1 6 PRO QG 1 82 THR MG . . 3.180 2.400 1.748 3.217 0.037 6 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 8 THR H . . 4.370 2.641 2.118 3.530 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS HA 1 7 LYS QE . . 4.550 4.295 3.694 4.656 0.106 13 0 "[ . 1 . 2]" 1
36 1 7 LYS HA 1 56 HIS HA . . 3.980 3.312 2.876 3.675 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HA 1 56 HIS HB2 . . 5.330 3.734 3.124 4.174 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS HA 1 56 HIS QB . . 4.560 3.657 3.083 4.013 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS HA 1 56 HIS HB3 . . 5.330 5.254 4.733 5.382 0.052 9 0 "[ . 1 . 2]" 1
40 1 7 LYS HA 1 56 HIS HE1 . . 4.600 4.499 3.522 4.710 0.110 20 0 "[ . 1 . 2]" 1
41 1 7 LYS HA 1 59 ALA MB . . 3.550 3.248 2.599 3.608 0.058 18 0 "[ . 1 . 2]" 1
42 1 7 LYS QE 1 56 HIS H . . 4.980 4.165 2.125 5.046 0.066 10 0 "[ . 1 . 2]" 1
43 1 7 LYS QG 1 8 THR H . . 5.170 4.181 3.604 4.468 . 0 0 "[ . 1 . 2]" 1
44 1 7 LYS QG 1 56 HIS HA . . 4.320 3.237 1.884 4.165 . 0 0 "[ . 1 . 2]" 1
45 1 7 LYS QG 1 56 HIS HB2 . . 5.280 2.704 1.850 3.670 . 0 0 "[ . 1 . 2]" 1
46 1 7 LYS QG 1 56 HIS QB . . 4.550 2.671 1.842 3.602 . 0 0 "[ . 1 . 2]" 1
47 1 7 LYS QG 1 56 HIS HB3 . . 5.280 4.243 3.372 5.239 . 0 0 "[ . 1 . 2]" 1
48 1 8 THR H 1 8 THR HB . . 4.010 2.619 2.481 2.841 . 0 0 "[ . 1 . 2]" 1
49 1 8 THR H 1 59 ALA MB . . 5.270 5.116 4.695 5.322 0.052 11 0 "[ . 1 . 2]" 1
50 1 8 THR HA 1 8 THR MG . . 3.470 2.337 2.209 2.428 . 0 0 "[ . 1 . 2]" 1
51 1 8 THR HA 1 9 LEU H . . 3.360 2.182 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
52 1 8 THR HA 1 52 GLU HA . . 3.620 2.371 1.950 2.944 . 0 0 "[ . 1 . 2]" 1
53 1 8 THR HA 1 53 PHE H . . 4.440 3.520 2.977 3.992 . 0 0 "[ . 1 . 2]" 1
54 1 8 THR HB 1 81 ALA MB . . 3.830 2.396 1.815 3.381 . 0 0 "[ . 1 . 2]" 1
55 1 8 THR MG 1 9 LEU H . . 3.670 2.659 2.420 2.985 . 0 0 "[ . 1 . 2]" 1
56 1 8 THR MG 1 9 LEU HA . . 4.540 3.968 3.749 4.350 . 0 0 "[ . 1 . 2]" 1
57 1 8 THR MG 1 50 PHE HB2 . . 5.310 3.842 3.371 4.474 . 0 0 "[ . 1 . 2]" 1
58 1 8 THR MG 1 50 PHE HB3 . . 3.530 2.411 1.945 3.048 . 0 0 "[ . 1 . 2]" 1
59 1 8 THR MG 1 50 PHE QE . . 4.100 3.920 3.567 4.133 0.033 11 0 "[ . 1 . 2]" 1
60 1 8 THR MG 1 51 VAL H . . 4.100 3.045 2.316 3.658 . 0 0 "[ . 1 . 2]" 1
61 1 8 THR MG 1 52 GLU HA . . 4.340 3.142 2.498 3.809 . 0 0 "[ . 1 . 2]" 1
62 1 8 THR MG 1 52 GLU QG . . 4.290 2.523 1.812 3.901 . 0 0 "[ . 1 . 2]" 1
63 1 8 THR MG 1 81 ALA MB . . 2.980 2.573 2.186 3.042 0.062 19 0 "[ . 1 . 2]" 1
64 1 9 LEU H 1 9 LEU QB . . 3.410 2.383 2.266 2.478 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU H 1 9 LEU QD . . 4.760 2.299 2.093 2.500 . 0 0 "[ . 1 . 2]" 1
66 1 9 LEU H 1 51 VAL H . . 4.370 3.125 2.743 3.390 . 0 0 "[ . 1 . 2]" 1
67 1 9 LEU H 1 52 GLU HA . . 4.720 3.498 2.858 4.214 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU H 1 81 ALA H . . 5.280 4.877 4.455 5.289 0.009 20 0 "[ . 1 . 2]" 1
69 1 9 LEU HA 1 9 LEU QD . . 3.430 1.879 1.822 1.943 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU HA 1 10 TYR H . . 3.410 2.137 2.111 2.207 . 0 0 "[ . 1 . 2]" 1
71 1 9 LEU HA 1 81 ALA H . . 3.820 2.859 2.537 3.317 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HA 1 81 ALA MB . . 4.390 3.609 3.117 4.274 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU QB 1 10 TYR H . . 3.830 3.059 2.829 3.262 . 0 0 "[ . 1 . 2]" 1
74 1 9 LEU QB 1 11 VAL QG . . 3.540 2.746 2.175 3.056 . 0 0 "[ . 1 . 2]" 1
75 1 9 LEU QB 1 78 VAL MG1 . . 4.050 2.268 2.013 2.649 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU HB2 1 10 TYR H . . 4.700 4.187 4.036 4.328 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU HB2 1 11 VAL QG . . 4.220 3.464 2.963 3.837 . 0 0 "[ . 1 . 2]" 1
78 1 9 LEU HB3 1 10 TYR H . . 4.700 3.146 2.890 3.374 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU HB3 1 11 VAL QG . . 4.220 2.889 2.238 3.346 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU QD 1 10 TYR H . . 4.340 3.213 2.946 3.423 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU QD 1 59 ALA HA . . 4.600 2.679 2.101 3.140 . 0 0 "[ . 1 . 2]" 1
82 1 9 LEU QD 1 59 ALA MB . . 3.900 1.650 1.466 1.923 . 0 0 "[ . 1 . 2]" 1
83 1 9 LEU QD 1 63 LEU H . . 4.500 3.510 3.182 3.905 . 0 0 "[ . 1 . 2]" 1
84 1 9 LEU QD 1 63 LEU HA . . 4.620 3.276 2.941 3.673 . 0 0 "[ . 1 . 2]" 1
85 1 9 LEU QD 1 78 VAL MG1 . . 3.640 2.317 1.862 2.825 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU QD 1 80 TRP HA . . 3.500 2.689 2.159 3.387 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU QD 1 81 ALA H . . 4.330 3.457 3.080 3.766 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU MD1 1 63 LEU H . . 5.430 3.666 3.274 4.144 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU MD1 1 81 ALA H . . 5.230 3.557 3.136 3.948 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU MD2 1 63 LEU H . . 5.430 4.522 4.289 4.914 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU MD2 1 81 ALA H . . 5.230 4.750 4.310 5.260 0.030 20 0 "[ . 1 . 2]" 1
92 1 9 LEU HG 1 59 ALA HA . . 4.850 4.098 3.728 4.559 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU HG 1 59 ALA MB . . 3.920 3.749 3.521 3.933 0.013 17 0 "[ . 1 . 2]" 1
94 1 9 LEU HG 1 63 LEU H . . 5.150 4.149 3.634 4.604 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU HG 1 63 LEU HA . . 4.440 3.983 3.451 4.455 0.015 18 0 "[ . 1 . 2]" 1
96 1 9 LEU HG 1 63 LEU QD . . 4.350 3.760 3.110 4.189 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR H 1 10 TYR HB2 . . 4.090 2.803 2.664 2.996 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR H 1 10 TYR QB . . 3.550 2.333 2.296 2.432 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR H 1 10 TYR HB3 . . 4.090 2.497 2.456 2.572 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR H 1 10 TYR QD . . 4.340 4.225 4.183 4.262 . 0 0 "[ . 1 . 2]" 1
101 1 10 TYR H 1 79 ASN H . . 4.220 3.109 2.932 3.410 . 0 0 "[ . 1 . 2]" 1
102 1 10 TYR H 1 81 ALA H . . 4.620 3.048 2.666 3.661 . 0 0 "[ . 1 . 2]" 1
103 1 10 TYR H 1 81 ALA MB . . 4.490 3.136 2.638 3.997 . 0 0 "[ . 1 . 2]" 1
104 1 10 TYR HA 1 10 TYR QD . . 3.970 3.003 2.793 3.187 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR HA 1 11 VAL H . . 3.340 2.193 2.148 2.237 . 0 0 "[ . 1 . 2]" 1
106 1 10 TYR HA 1 11 VAL QG . . 4.680 3.752 3.377 3.857 . 0 0 "[ . 1 . 2]" 1
107 1 10 TYR HA 1 50 PHE HA . . 4.110 3.144 2.863 3.400 . 0 0 "[ . 1 . 2]" 1
108 1 10 TYR HA 1 50 PHE QE . . 4.420 4.146 3.762 4.442 0.022 14 0 "[ . 1 . 2]" 1
109 1 10 TYR HA 1 81 ALA MB . . 4.510 3.284 2.773 3.911 . 0 0 "[ . 1 . 2]" 1
110 1 10 TYR QB 1 11 VAL H . . 3.960 3.964 3.871 4.007 0.047 16 0 "[ . 1 . 2]" 1
111 1 10 TYR QB 1 50 PHE QE . . 3.810 3.376 2.970 3.816 0.006 18 0 "[ . 1 . 2]" 1
112 1 10 TYR QB 1 81 ALA HA . . 4.170 3.179 2.685 4.009 . 0 0 "[ . 1 . 2]" 1
113 1 10 TYR QB 1 81 ALA MB . . 3.660 1.663 1.407 2.121 . 0 0 "[ . 1 . 2]" 1
114 1 10 TYR HB2 1 11 VAL H . . 4.610 4.492 4.366 4.560 . 0 0 "[ . 1 . 2]" 1
115 1 10 TYR HB3 1 11 VAL H . . 4.610 4.411 4.324 4.457 . 0 0 "[ . 1 . 2]" 1
116 1 10 TYR QD 1 11 VAL HA . . 4.360 3.955 3.544 4.354 . 0 0 "[ . 1 . 2]" 1
117 1 10 TYR QD 1 49 CYS H . . 5.500 5.304 4.907 5.533 0.033 17 0 "[ . 1 . 2]" 1
118 1 10 TYR QD 1 50 PHE QD . . 4.130 3.418 3.146 3.763 . 0 0 "[ . 1 . 2]" 1
119 1 10 TYR QD 1 79 ASN H . . 4.560 3.420 3.091 3.772 . 0 0 "[ . 1 . 2]" 1
120 1 10 TYR QD 1 81 ALA MB . . 4.370 2.921 2.706 3.177 . 0 0 "[ . 1 . 2]" 1
121 1 10 TYR QE 1 12 GLY H . . 4.590 4.314 3.806 4.603 0.013 14 0 "[ . 1 . 2]" 1
122 1 10 TYR QE 1 12 GLY QA . . 3.800 3.269 2.817 3.832 0.032 3 0 "[ . 1 . 2]" 1
123 1 10 TYR QE 1 48 TYR HB2 . . 4.100 3.602 3.256 3.984 . 0 0 "[ . 1 . 2]" 1
124 1 10 TYR QE 1 48 TYR QB . . 3.560 3.279 3.066 3.582 0.022 1 0 "[ . 1 . 2]" 1
125 1 10 TYR QE 1 48 TYR HB3 . . 4.100 3.791 3.489 4.117 0.017 19 0 "[ . 1 . 2]" 1
126 1 10 TYR QE 1 81 ALA MB . . 4.710 4.733 4.548 4.817 0.107 19 0 "[ . 1 . 2]" 1
127 1 11 VAL H 1 11 VAL HB . . 3.900 2.675 2.522 3.759 . 0 0 "[ . 1 . 2]" 1
128 1 11 VAL H 1 11 VAL QG . . 3.710 2.460 2.061 2.594 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL H 1 49 CYS H . . 4.050 3.200 2.980 3.492 . 0 0 "[ . 1 . 2]" 1
130 1 11 VAL H 1 50 PHE HA . . 4.660 3.634 3.398 3.826 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL HA 1 12 GLY H . . 3.280 2.137 2.110 2.225 . 0 0 "[ . 1 . 2]" 1
132 1 11 VAL HA 1 78 VAL HA . . 3.730 2.402 2.235 2.716 . 0 0 "[ . 1 . 2]" 1
133 1 11 VAL HA 1 78 VAL MG1 . . 4.350 3.706 3.265 4.149 . 0 0 "[ . 1 . 2]" 1
134 1 11 VAL HA 1 78 VAL MG2 . . 4.230 3.184 2.878 3.682 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL HA 1 79 ASN H . . 4.680 3.539 2.988 3.922 . 0 0 "[ . 1 . 2]" 1
136 1 11 VAL HB 1 49 CYS H . . 4.420 3.328 2.962 4.714 0.294 19 0 "[ . 1 . 2]" 1
137 1 11 VAL QG 1 12 GLY H . . 4.050 2.840 2.687 2.937 . 0 0 "[ . 1 . 2]" 1
138 1 11 VAL QG 1 27 PHE QE . . 3.590 2.601 2.215 3.096 . 0 0 "[ . 1 . 2]" 1
139 1 11 VAL QG 1 51 VAL QG . . 3.270 2.600 2.217 3.231 . 0 0 "[ . 1 . 2]" 1
140 1 11 VAL QG 1 76 VAL HB . . 3.750 2.625 2.070 3.426 . 0 0 "[ . 1 . 2]" 1
141 1 11 VAL QG 1 77 LYS H . . 4.560 2.933 2.699 3.079 . 0 0 "[ . 1 . 2]" 1
142 1 11 VAL QG 1 77 LYS HA . . 5.500 4.372 4.045 4.727 . 0 0 "[ . 1 . 2]" 1
143 1 11 VAL QG 1 77 LYS HB2 . . 4.800 4.378 4.007 4.625 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL QG 1 77 LYS QG . . 5.030 4.903 4.738 4.974 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL QG 1 78 VAL HA . . 4.780 2.539 2.241 2.724 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL QG 1 78 VAL MG1 . . 3.370 2.093 1.745 2.412 . 0 0 "[ . 1 . 2]" 1
147 1 11 VAL QG 1 78 VAL MG2 . . 2.910 1.688 1.436 2.021 . 0 0 "[ . 1 . 2]" 1
148 1 11 VAL QG 1 79 ASN H . . 4.900 3.835 3.527 4.133 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLY H 1 77 LYS H . . 4.440 2.963 2.507 3.328 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLY H 1 77 LYS HB2 . . 4.440 2.804 2.088 3.237 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLY H 1 77 LYS HB3 . . 4.800 4.068 3.455 4.477 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLY H 1 77 LYS QG . . 4.820 4.480 3.670 4.874 0.054 3 0 "[ . 1 . 2]" 1
153 1 12 GLY H 1 78 VAL HA . . 4.590 3.868 3.533 4.272 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLY H 1 78 VAL MG2 . . 4.710 4.420 4.178 4.713 0.003 1 0 "[ . 1 . 2]" 1
155 1 12 GLY QA 1 14 LEU H . . 4.400 3.516 3.135 3.913 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLY QA 1 14 LEU HG . . 4.780 4.108 3.361 4.889 0.109 20 0 "[ . 1 . 2]" 1
157 1 12 GLY QA 1 48 TYR QB . . 4.130 2.159 1.961 2.412 . 0 0 "[ . 1 . 2]" 1
158 1 12 GLY QA 1 49 CYS H . . 4.470 3.351 3.155 3.619 . 0 0 "[ . 1 . 2]" 1
159 1 13 ASN H 1 14 LEU H . . 3.860 2.519 1.465 2.797 . 0 0 "[ . 1 . 2]" 1
160 1 13 ASN H 1 14 LEU HB2 . . 4.750 4.604 3.755 4.825 0.075 14 0 "[ . 1 . 2]" 1
161 1 13 ASN H 1 48 TYR QB . . 4.720 3.531 2.873 3.974 . 0 0 "[ . 1 . 2]" 1
162 1 13 ASN HA 1 14 LEU H . . 3.550 2.764 2.453 3.294 . 0 0 "[ . 1 . 2]" 1
163 1 13 ASN QB 1 14 LEU QD . . 5.110 4.215 3.502 4.862 . 0 0 "[ . 1 . 2]" 1
164 1 13 ASN QB 1 76 VAL HA . . 3.680 2.537 1.639 3.383 . 0 0 "[ . 1 . 2]" 1
165 1 13 ASN QB 1 77 LYS H . . 3.910 3.122 2.648 3.652 . 0 0 "[ . 1 . 2]" 1
166 1 13 ASN HB2 1 14 LEU H . . 4.630 4.361 4.099 4.627 . 0 0 "[ . 1 . 2]" 1
167 1 13 ASN HB2 1 76 VAL HA . . 4.400 2.870 1.856 4.449 0.049 19 0 "[ . 1 . 2]" 1
168 1 13 ASN HB3 1 14 LEU H . . 4.630 4.365 4.264 4.442 . 0 0 "[ . 1 . 2]" 1
169 1 13 ASN HB3 1 76 VAL HA . . 4.400 3.355 1.661 4.428 0.028 10 0 "[ . 1 . 2]" 1
170 1 14 LEU H 1 14 LEU HB2 . . 3.320 2.347 2.204 2.516 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU H 1 14 LEU HB3 . . 3.990 3.574 3.501 3.624 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU H 1 14 LEU QD . . 3.900 2.897 2.158 3.408 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU H 1 14 LEU HG . . 4.570 3.232 2.217 4.245 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU H 1 47 PRO HB2 . . 4.270 3.409 2.804 3.850 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU HA 1 14 LEU QD . . 3.240 1.908 1.829 2.014 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU HA 1 15 SER H . . 3.220 2.356 2.108 2.735 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU HA 1 18 VAL MG1 . . 5.190 3.856 2.464 4.833 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU HA 1 18 VAL QG . . 4.080 2.928 2.247 3.523 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU HA 1 18 VAL MG2 . . 5.190 3.055 2.479 3.685 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU HB2 1 15 SER H . . 3.920 3.757 3.211 4.096 0.176 14 0 "[ . 1 . 2]" 1
181 1 14 LEU HB2 1 47 PRO HB2 . . 4.690 1.943 1.557 2.218 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU HB2 1 47 PRO QG . . 4.970 3.354 2.039 4.030 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU HB2 1 48 TYR HA . . 4.170 3.644 2.865 4.190 0.020 14 0 "[ . 1 . 2]" 1
184 1 14 LEU HB3 1 15 SER H . . 4.660 2.493 1.811 3.143 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU QD 1 15 SER H . . 4.070 2.985 2.515 3.401 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU QD 1 18 VAL MG1 . . 3.220 2.062 1.809 2.466 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU QD 1 18 VAL MG2 . . 3.220 2.813 2.473 3.326 0.106 17 0 "[ . 1 . 2]" 1
188 1 14 LEU QD 1 48 TYR H . . 4.690 3.694 3.090 4.203 . 0 0 "[ . 1 . 2]" 1
189 1 14 LEU QD 1 49 CYS HA . . 5.470 3.810 3.069 4.478 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU HG 1 18 VAL HB . . 5.500 5.320 4.782 5.601 0.101 8 0 "[ . 1 . 2]" 1
191 1 14 LEU HG 1 18 VAL QG . . 4.220 4.214 4.022 4.310 0.090 11 0 "[ . 1 . 2]" 1
192 1 14 LEU HG 1 47 PRO HB2 . . 4.730 3.943 3.360 4.350 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU HG 1 47 PRO HB3 . . 5.500 5.318 4.820 5.532 0.032 8 0 "[ . 1 . 2]" 1
194 1 14 LEU HG 1 48 TYR H . . 4.990 4.785 4.362 5.041 0.051 14 0 "[ . 1 . 2]" 1
195 1 14 LEU HG 1 48 TYR HA . . 3.690 3.054 2.447 3.714 0.024 9 0 "[ . 1 . 2]" 1
196 1 14 LEU HG 1 49 CYS H . . 4.150 3.895 3.586 4.173 0.023 7 0 "[ . 1 . 2]" 1
197 1 14 LEU HG 1 49 CYS HB2 . . 4.260 3.609 2.754 4.354 0.094 12 0 "[ . 1 . 2]" 1
198 1 14 LEU HG 1 49 CYS QB . . 3.740 3.249 2.538 3.761 0.021 16 0 "[ . 1 . 2]" 1
199 1 14 LEU HG 1 49 CYS HB3 . . 4.260 3.959 2.559 4.323 0.063 16 0 "[ . 1 . 2]" 1
200 1 15 SER H 1 15 SER HB2 . . 3.780 2.999 2.680 3.804 0.024 3 0 "[ . 1 . 2]" 1
201 1 15 SER H 1 15 SER QB . . 3.320 2.633 2.312 3.000 . 0 0 "[ . 1 . 2]" 1
202 1 15 SER H 1 15 SER HB3 . . 3.780 3.179 2.459 3.872 0.092 7 0 "[ . 1 . 2]" 1
203 1 15 SER H 1 18 VAL QG . . 3.750 2.235 1.842 2.677 . 0 0 "[ . 1 . 2]" 1
204 1 15 SER HA 1 16 ARG H . . 3.250 2.397 2.246 2.618 . 0 0 "[ . 1 . 2]" 1
205 1 15 SER QB 1 16 ARG H . . 3.850 2.951 2.076 3.525 . 0 0 "[ . 1 . 2]" 1
206 1 15 SER QB 1 16 ARG QD . . 4.580 4.132 3.622 4.771 0.191 8 0 "[ . 1 . 2]" 1
207 1 15 SER QB 1 17 ASP H . . 4.150 2.728 2.170 3.082 . 0 0 "[ . 1 . 2]" 1
208 1 15 SER QB 1 18 VAL H . . 3.880 3.088 2.800 3.613 . 0 0 "[ . 1 . 2]" 1
209 1 15 SER QB 1 18 VAL QG . . 3.500 1.925 1.501 3.059 . 0 0 "[ . 1 . 2]" 1
210 1 15 SER QB 1 72 MET QB . . 3.690 3.548 2.588 3.823 0.133 3 0 "[ . 1 . 2]" 1
211 1 15 SER QB 1 74 LYS QB . . 4.330 3.461 1.894 4.573 0.243 4 0 "[ . 1 . 2]" 1
212 1 15 SER QB 1 74 LYS QG . . 4.330 3.275 1.531 4.371 0.041 11 0 "[ . 1 . 2]" 1
213 1 15 SER HB2 1 16 ARG H . . 4.380 3.686 2.218 4.071 . 0 0 "[ . 1 . 2]" 1
214 1 15 SER HB2 1 17 ASP H . . 4.710 3.588 2.440 4.333 . 0 0 "[ . 1 . 2]" 1
215 1 15 SER HB2 1 18 VAL H . . 4.730 4.073 2.858 4.767 0.037 19 0 "[ . 1 . 2]" 1
216 1 15 SER HB3 1 16 ARG H . . 4.380 3.222 2.097 3.905 . 0 0 "[ . 1 . 2]" 1
217 1 15 SER HB3 1 17 ASP H . . 4.710 2.927 2.433 3.906 . 0 0 "[ . 1 . 2]" 1
218 1 15 SER HB3 1 18 VAL H . . 4.730 3.549 2.829 4.749 0.019 4 0 "[ . 1 . 2]" 1
219 1 16 ARG H 1 16 ARG QB . . 3.100 2.445 2.254 2.725 . 0 0 "[ . 1 . 2]" 1
220 1 16 ARG H 1 16 ARG QD . . 4.840 2.241 1.600 3.515 . 0 0 "[ . 1 . 2]" 1
221 1 16 ARG H 1 17 ASP H . . 4.040 2.547 2.345 2.873 . 0 0 "[ . 1 . 2]" 1
222 1 16 ARG HA 1 16 ARG QD . . 4.190 3.112 2.005 3.808 . 0 0 "[ . 1 . 2]" 1
223 1 16 ARG HA 1 16 ARG QG . . 3.900 3.025 2.365 3.500 . 0 0 "[ . 1 . 2]" 1
224 1 16 ARG HA 1 18 VAL H . . 4.820 3.628 3.360 4.414 . 0 0 "[ . 1 . 2]" 1
225 1 16 ARG QB 1 17 ASP H . . 4.130 3.326 2.517 3.817 . 0 0 "[ . 1 . 2]" 1
226 1 16 ARG QB 1 17 ASP HA . . 4.960 4.307 3.825 4.796 . 0 0 "[ . 1 . 2]" 1
227 1 16 ARG QD 1 18 VAL H . . 5.500 4.867 4.129 5.520 0.020 4 0 "[ . 1 . 2]" 1
228 1 17 ASP H 1 17 ASP HB2 . . 4.160 2.851 2.291 3.685 . 0 0 "[ . 1 . 2]" 1
229 1 17 ASP H 1 17 ASP QB . . 3.430 2.526 2.263 3.037 . 0 0 "[ . 1 . 2]" 1
230 1 17 ASP H 1 17 ASP HB3 . . 4.160 3.125 2.527 3.625 . 0 0 "[ . 1 . 2]" 1
231 1 17 ASP H 1 18 VAL H . . 3.620 2.405 2.234 2.786 . 0 0 "[ . 1 . 2]" 1
232 1 17 ASP H 1 18 VAL QG . . 4.540 3.481 3.259 3.707 . 0 0 "[ . 1 . 2]" 1
233 1 18 VAL H 1 18 VAL HB . . 3.310 2.529 2.442 2.582 . 0 0 "[ . 1 . 2]" 1
234 1 18 VAL H 1 18 VAL MG1 . . 4.160 3.792 3.766 3.825 . 0 0 "[ . 1 . 2]" 1
235 1 18 VAL H 1 18 VAL QG . . 3.230 2.342 2.064 2.610 . 0 0 "[ . 1 . 2]" 1
236 1 18 VAL H 1 18 VAL MG2 . . 4.160 2.366 2.073 2.659 . 0 0 "[ . 1 . 2]" 1
237 1 18 VAL H 1 72 MET QG . . 5.100 4.163 3.412 4.781 . 0 0 "[ . 1 . 2]" 1
238 1 18 VAL HA 1 19 THR H . . 3.200 2.164 2.121 2.279 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL HA 1 19 THR MG . . 4.460 3.606 3.429 3.776 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL HA 1 22 LEU QD . . 3.960 3.485 2.636 3.980 0.020 14 0 "[ . 1 . 2]" 1
241 1 18 VAL HB 1 19 THR H . . 4.540 4.211 3.903 4.405 . 0 0 "[ . 1 . 2]" 1
242 1 18 VAL QG 1 19 THR H . . 3.610 2.706 2.228 3.152 . 0 0 "[ . 1 . 2]" 1
243 1 18 VAL QG 1 19 THR MG . . 4.050 3.660 3.441 3.853 . 0 0 "[ . 1 . 2]" 1
244 1 18 VAL QG 1 22 LEU QB . . 3.760 3.223 2.723 3.706 . 0 0 "[ . 1 . 2]" 1
245 1 18 VAL QG 1 23 ILE H . . 3.710 3.672 3.469 3.824 0.114 11 0 "[ . 1 . 2]" 1
246 1 18 VAL QG 1 23 ILE MD . . 3.090 2.055 1.768 2.282 . 0 0 "[ . 1 . 2]" 1
247 1 18 VAL QG 1 23 ILE QG . . 3.010 2.193 2.069 2.414 . 0 0 "[ . 1 . 2]" 1
248 1 18 VAL QG 1 23 ILE MG . . 4.110 4.053 3.805 4.170 0.060 20 0 "[ . 1 . 2]" 1
249 1 18 VAL QG 1 71 ILE HB . . 4.870 3.707 3.008 4.714 . 0 0 "[ . 1 . 2]" 1
250 1 18 VAL QG 1 72 MET QB . . 4.090 2.815 2.118 3.577 . 0 0 "[ . 1 . 2]" 1
251 1 18 VAL QG 1 72 MET QG . . 3.460 2.382 1.835 2.975 . 0 0 "[ . 1 . 2]" 1
252 1 18 VAL MG1 1 72 MET QG . . 4.680 3.758 2.960 4.624 . 0 0 "[ . 1 . 2]" 1
253 1 18 VAL MG2 1 72 MET QG . . 4.680 2.415 1.843 3.014 . 0 0 "[ . 1 . 2]" 1
254 1 19 THR H 1 19 THR MG . . 3.700 1.952 1.818 2.166 . 0 0 "[ . 1 . 2]" 1
255 1 19 THR H 1 22 LEU H . . 4.890 4.153 3.735 4.516 . 0 0 "[ . 1 . 2]" 1
256 1 19 THR H 1 22 LEU QB . . 3.540 3.044 2.387 3.566 0.026 1 0 "[ . 1 . 2]" 1
257 1 19 THR H 1 22 LEU QD . . 4.070 3.338 2.722 4.072 0.002 14 0 "[ . 1 . 2]" 1
258 1 19 THR H 1 23 ILE H . . 5.410 4.637 4.058 5.249 . 0 0 "[ . 1 . 2]" 1
259 1 19 THR HA 1 19 THR MG . . 3.390 3.214 3.201 3.223 . 0 0 "[ . 1 . 2]" 1
260 1 19 THR HA 1 20 GLU H . . 3.120 2.247 2.145 2.352 . 0 0 "[ . 1 . 2]" 1
261 1 19 THR HA 1 21 ALA H . . 4.770 4.141 3.853 4.443 . 0 0 "[ . 1 . 2]" 1
262 1 19 THR HA 1 22 LEU H . . 5.120 4.693 4.549 4.976 . 0 0 "[ . 1 . 2]" 1
263 1 19 THR HB 1 20 GLU H . . 4.000 3.901 3.776 4.010 0.010 11 0 "[ . 1 . 2]" 1
264 1 19 THR HB 1 21 ALA H . . 4.610 4.456 4.241 4.646 0.036 8 0 "[ . 1 . 2]" 1
265 1 19 THR HB 1 21 ALA MB . . 4.820 4.494 4.240 4.758 . 0 0 "[ . 1 . 2]" 1
266 1 19 THR HB 1 22 LEU H . . 5.490 4.590 4.471 4.818 . 0 0 "[ . 1 . 2]" 1
267 1 19 THR MG 1 20 GLU H . . 4.390 3.763 3.510 3.923 . 0 0 "[ . 1 . 2]" 1
268 1 19 THR MG 1 20 GLU HA . . 5.150 4.608 4.482 4.764 . 0 0 "[ . 1 . 2]" 1
269 1 19 THR MG 1 21 ALA H . . 4.700 3.032 2.788 3.263 . 0 0 "[ . 1 . 2]" 1
270 1 19 THR MG 1 21 ALA MB . . 2.730 2.663 2.409 2.777 0.047 16 0 "[ . 1 . 2]" 1
271 1 19 THR MG 1 22 LEU HB2 . . 4.030 2.104 2.005 2.279 . 0 0 "[ . 1 . 2]" 1
272 1 19 THR MG 1 22 LEU QB . . 3.420 1.985 1.926 2.091 . 0 0 "[ . 1 . 2]" 1
273 1 19 THR MG 1 22 LEU HB3 . . 4.030 2.454 2.283 2.784 . 0 0 "[ . 1 . 2]" 1
274 1 19 THR MG 1 22 LEU QD . . 3.350 2.881 2.763 3.427 0.077 14 0 "[ . 1 . 2]" 1
275 1 19 THR MG 1 22 LEU HG . . 4.280 4.277 3.523 4.341 0.061 10 0 "[ . 1 . 2]" 1
276 1 19 THR MG 1 23 ILE MD . . 5.130 5.043 4.870 5.163 0.033 19 0 "[ . 1 . 2]" 1
277 1 20 GLU H 1 20 GLU HB2 . . 3.920 2.546 2.365 3.571 . 0 0 "[ . 1 . 2]" 1
278 1 20 GLU H 1 20 GLU QB . . 3.120 2.225 2.184 2.337 . 0 0 "[ . 1 . 2]" 1
279 1 20 GLU H 1 20 GLU HB3 . . 3.920 2.493 2.370 2.629 . 0 0 "[ . 1 . 2]" 1
280 1 20 GLU H 1 20 GLU QG . . 4.190 3.881 2.385 4.029 . 0 0 "[ . 1 . 2]" 1
281 1 20 GLU H 1 21 ALA H . . 3.850 2.691 2.517 2.890 . 0 0 "[ . 1 . 2]" 1
282 1 20 GLU HA 1 20 GLU QG . . 3.610 2.566 2.465 3.320 . 0 0 "[ . 1 . 2]" 1
283 1 20 GLU HA 1 23 ILE H . . 4.330 3.568 3.238 3.761 . 0 0 "[ . 1 . 2]" 1
284 1 20 GLU HA 1 23 ILE HB . . 3.490 2.907 2.500 3.221 . 0 0 "[ . 1 . 2]" 1
285 1 20 GLU HA 1 23 ILE MD . . 5.500 4.978 4.683 5.216 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLU HA 1 23 ILE HG12 . . 5.130 3.674 3.277 3.981 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLU HA 1 23 ILE QG . . 4.400 3.370 3.019 3.628 . 0 0 "[ . 1 . 2]" 1
288 1 20 GLU HA 1 23 ILE HG13 . . 5.130 3.921 3.534 4.278 . 0 0 "[ . 1 . 2]" 1
289 1 20 GLU HA 1 23 ILE MG . . 4.620 4.255 3.953 4.590 . 0 0 "[ . 1 . 2]" 1
290 1 20 GLU HA 1 24 LEU H . . 4.990 3.853 3.379 4.001 . 0 0 "[ . 1 . 2]" 1
291 1 20 GLU HA 1 24 LEU QB . . 4.720 4.686 4.411 4.774 0.054 2 0 "[ . 1 . 2]" 1
292 1 20 GLU QB 1 21 ALA H . . 3.410 2.640 2.388 3.495 0.085 14 0 "[ . 1 . 2]" 1
293 1 20 GLU QG 1 24 LEU QB . . 3.670 3.275 2.883 3.794 0.124 14 0 "[ . 1 . 2]" 1
294 1 20 GLU QG 1 24 LEU QD . . 3.950 1.972 1.790 2.810 . 0 0 "[ . 1 . 2]" 1
295 1 21 ALA H 1 21 ALA MB . . 3.080 2.227 2.215 2.241 . 0 0 "[ . 1 . 2]" 1
296 1 21 ALA H 1 22 LEU H . . 3.850 2.694 2.561 2.833 . 0 0 "[ . 1 . 2]" 1
297 1 21 ALA H 1 22 LEU QB . . 5.340 4.441 4.291 4.576 . 0 0 "[ . 1 . 2]" 1
298 1 21 ALA H 1 24 LEU QB . . 5.500 4.857 4.572 5.061 . 0 0 "[ . 1 . 2]" 1
299 1 21 ALA HA 1 24 LEU H . . 4.470 3.936 3.667 4.087 . 0 0 "[ . 1 . 2]" 1
300 1 21 ALA HA 1 24 LEU QB . . 3.660 3.001 2.548 3.256 . 0 0 "[ . 1 . 2]" 1
301 1 21 ALA HA 1 24 LEU QD . . 4.260 3.844 3.046 4.230 . 0 0 "[ . 1 . 2]" 1
302 1 21 ALA MB 1 22 LEU H . . 3.540 2.689 2.491 2.985 . 0 0 "[ . 1 . 2]" 1
303 1 21 ALA MB 1 24 LEU QB . . 4.520 4.376 3.959 4.588 0.068 16 0 "[ . 1 . 2]" 1
304 1 22 LEU H 1 22 LEU QB . . 3.510 2.243 2.201 2.285 . 0 0 "[ . 1 . 2]" 1
305 1 22 LEU H 1 22 LEU QD . . 4.120 3.729 3.653 3.774 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU H 1 22 LEU HG . . 5.120 4.456 4.392 4.633 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU H 1 23 ILE HB . . 4.700 4.657 4.439 4.736 0.036 4 0 "[ . 1 . 2]" 1
308 1 22 LEU H 1 25 GLN H . . 5.420 4.646 4.511 4.795 . 0 0 "[ . 1 . 2]" 1
309 1 22 LEU HA 1 22 LEU QD . . 3.400 2.161 2.015 3.059 . 0 0 "[ . 1 . 2]" 1
310 1 22 LEU HA 1 25 GLN QB . . 3.870 2.806 2.591 3.199 . 0 0 "[ . 1 . 2]" 1
311 1 22 LEU HA 1 25 GLN QG . . 4.740 4.681 4.378 4.794 0.054 14 0 "[ . 1 . 2]" 1
312 1 22 LEU QB 1 23 ILE H . . 3.160 2.326 2.242 2.423 . 0 0 "[ . 1 . 2]" 1
313 1 22 LEU QB 1 23 ILE MD . . 3.960 3.682 3.461 3.844 . 0 0 "[ . 1 . 2]" 1
314 1 22 LEU HB2 1 23 ILE H . . 3.730 3.723 3.606 3.757 0.027 1 0 "[ . 1 . 2]" 1
315 1 22 LEU HB3 1 23 ILE H . . 3.730 2.350 2.261 2.454 . 0 0 "[ . 1 . 2]" 1
316 1 22 LEU QD 1 23 ILE HA . . 4.510 3.964 2.720 4.241 . 0 0 "[ . 1 . 2]" 1
317 1 22 LEU QD 1 72 MET QG . . 3.700 3.241 2.567 3.784 0.084 14 0 "[ . 1 . 2]" 1
318 1 22 LEU HG 1 23 ILE H . . 5.500 3.716 3.384 4.743 . 0 0 "[ . 1 . 2]" 1
319 1 23 ILE H 1 23 ILE HB . . 3.030 2.499 2.451 2.603 . 0 0 "[ . 1 . 2]" 1
320 1 23 ILE H 1 23 ILE MD . . 3.880 3.194 3.011 3.295 . 0 0 "[ . 1 . 2]" 1
321 1 23 ILE H 1 23 ILE HG12 . . 4.230 2.139 1.985 2.213 . 0 0 "[ . 1 . 2]" 1
322 1 23 ILE H 1 23 ILE QG . . 3.610 2.124 1.974 2.195 . 0 0 "[ . 1 . 2]" 1
323 1 23 ILE H 1 23 ILE HG13 . . 4.230 3.611 3.524 3.667 . 0 0 "[ . 1 . 2]" 1
324 1 23 ILE H 1 24 LEU H . . 3.680 2.831 2.711 2.947 . 0 0 "[ . 1 . 2]" 1
325 1 23 ILE H 1 25 GLN H . . 5.500 4.162 3.995 4.366 . 0 0 "[ . 1 . 2]" 1
326 1 23 ILE HA 1 23 ILE MD . . 3.210 1.938 1.901 2.035 . 0 0 "[ . 1 . 2]" 1
327 1 23 ILE HA 1 23 ILE MG . . 3.430 2.461 2.404 2.491 . 0 0 "[ . 1 . 2]" 1
328 1 23 ILE HA 1 25 GLN H . . 5.210 4.428 4.202 4.683 . 0 0 "[ . 1 . 2]" 1
329 1 23 ILE HA 1 26 LEU H . . 5.380 3.669 3.482 3.837 . 0 0 "[ . 1 . 2]" 1
330 1 23 ILE HA 1 26 LEU QB . . 4.000 2.992 2.500 3.334 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE HA 1 26 LEU MD1 . . 4.960 3.560 2.739 5.101 0.141 16 0 "[ . 1 . 2]" 1
332 1 23 ILE HA 1 26 LEU MD2 . . 4.960 4.478 2.589 5.011 0.051 8 0 "[ . 1 . 2]" 1
333 1 23 ILE HA 1 26 LEU HG . . 4.330 3.564 3.090 3.964 . 0 0 "[ . 1 . 2]" 1
334 1 23 ILE HA 1 27 PHE QD . . 4.340 3.864 3.218 4.353 0.013 18 0 "[ . 1 . 2]" 1
335 1 23 ILE HB 1 24 LEU H . . 3.540 2.423 2.168 2.526 . 0 0 "[ . 1 . 2]" 1
336 1 23 ILE MD 1 27 PHE QE . . 4.180 3.270 2.598 3.913 . 0 0 "[ . 1 . 2]" 1
337 1 23 ILE QG 1 23 ILE MG . . 3.240 2.285 2.261 2.305 . 0 0 "[ . 1 . 2]" 1
338 1 23 ILE QG 1 24 LEU QD . . 4.740 4.243 3.948 4.963 0.223 8 0 "[ . 1 . 2]" 1
339 1 23 ILE MG 1 24 LEU H . . 4.010 3.163 3.003 3.305 . 0 0 "[ . 1 . 2]" 1
340 1 23 ILE MG 1 24 LEU QB . . 4.730 4.346 4.017 4.558 . 0 0 "[ . 1 . 2]" 1
341 1 23 ILE MG 1 24 LEU QD . . 3.460 2.649 2.350 3.322 . 0 0 "[ . 1 . 2]" 1
342 1 23 ILE MG 1 27 PHE QD . . 3.540 2.322 2.108 2.529 . 0 0 "[ . 1 . 2]" 1
343 1 23 ILE MG 1 27 PHE QE . . 4.160 1.959 1.837 2.140 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE MG 1 36 CYS QB . . 4.960 4.343 2.544 4.991 0.031 14 0 "[ . 1 . 2]" 1
345 1 23 ILE MG 1 51 VAL QG . . 3.310 2.677 2.169 3.375 0.065 10 0 "[ . 1 . 2]" 1
346 1 24 LEU H 1 24 LEU QB . . 3.120 2.159 1.996 2.333 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU H 1 24 LEU QD . . 3.750 2.428 2.164 3.216 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU H 1 24 LEU HG . . 4.200 3.950 2.439 4.439 0.239 8 0 "[ . 1 . 2]" 1
349 1 24 LEU H 1 25 GLN H . . 3.740 2.720 2.621 2.867 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU HA 1 24 LEU MD1 . . 3.720 2.206 1.761 3.760 0.040 14 0 "[ . 1 . 2]" 1
351 1 24 LEU HA 1 24 LEU QD . . 3.130 2.044 1.758 2.634 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU HA 1 24 LEU MD2 . . 3.720 2.862 1.824 3.751 0.031 20 0 "[ . 1 . 2]" 1
353 1 24 LEU QB 1 25 GLN H . . 3.510 2.737 2.563 2.908 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU QB 1 36 CYS QB . . 5.110 4.460 3.861 5.137 0.027 9 0 "[ . 1 . 2]" 1
355 1 24 LEU QD 1 25 GLN H . . 4.350 3.988 3.929 4.200 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU QD 1 33 CYS QB . . 3.350 2.967 2.328 3.431 0.081 19 0 "[ . 1 . 2]" 1
357 1 24 LEU QD 1 35 ASN HA . . 4.850 4.572 3.871 4.872 0.022 7 0 "[ . 1 . 2]" 1
358 1 24 LEU QD 1 36 CYS H . . 4.510 3.993 3.274 4.362 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU QD 1 36 CYS QB . . 3.510 1.785 1.526 2.244 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU MD1 1 36 CYS H . . 5.380 4.506 3.485 5.264 . 0 0 "[ . 1 . 2]" 1
361 1 24 LEU MD1 1 36 CYS QB . . 4.030 2.067 1.611 3.281 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU MD2 1 36 CYS H . . 5.380 4.651 3.784 5.383 0.003 20 0 "[ . 1 . 2]" 1
363 1 24 LEU MD2 1 36 CYS QB . . 4.030 2.241 1.703 3.579 . 0 0 "[ . 1 . 2]" 1
364 1 24 LEU HG 1 36 CYS QB . . 4.590 3.442 2.373 4.517 . 0 0 "[ . 1 . 2]" 1
365 1 25 GLN H 1 25 GLN QB . . 3.120 2.250 2.214 2.270 . 0 0 "[ . 1 . 2]" 1
366 1 25 GLN H 1 25 GLN QG . . 4.650 3.976 3.953 4.060 . 0 0 "[ . 1 . 2]" 1
367 1 25 GLN HA 1 25 GLN QG . . 3.970 2.519 2.421 2.855 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLN QB 1 26 LEU H . . 3.530 2.512 2.391 2.639 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLN QB 1 26 LEU QD . . 5.440 3.233 2.528 3.618 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLN QB 1 26 LEU HG . . 5.290 3.967 3.300 5.341 0.051 15 0 "[ . 1 . 2]" 1
371 1 25 GLN QG 1 26 LEU H . . 4.820 3.607 3.445 3.780 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLN QG 1 26 LEU HA . . 4.550 3.621 3.391 3.889 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLN QG 1 28 SER QB . . 3.800 3.722 3.533 3.812 0.012 19 0 "[ . 1 . 2]" 1
374 1 25 GLN QG 1 29 GLN H . . 4.450 4.408 4.129 4.507 0.057 11 0 "[ . 1 . 2]" 1
375 1 25 GLN QG 1 29 GLN QB . . 4.100 3.795 3.419 4.112 0.012 13 0 "[ . 1 . 2]" 1
376 1 26 LEU H 1 26 LEU HB2 . . 3.750 2.392 2.149 2.493 . 0 0 "[ . 1 . 2]" 1
377 1 26 LEU H 1 26 LEU QB . . 3.040 2.357 2.129 2.449 . 0 0 "[ . 1 . 2]" 1
378 1 26 LEU H 1 26 LEU HB3 . . 3.750 3.561 3.460 3.591 . 0 0 "[ . 1 . 2]" 1
379 1 26 LEU H 1 26 LEU MD1 . . 4.700 3.802 3.652 4.014 . 0 0 "[ . 1 . 2]" 1
380 1 26 LEU H 1 26 LEU QD . . 4.120 2.772 2.055 3.037 . 0 0 "[ . 1 . 2]" 1
381 1 26 LEU H 1 26 LEU MD2 . . 4.700 2.873 2.066 3.205 . 0 0 "[ . 1 . 2]" 1
382 1 26 LEU H 1 26 LEU HG . . 4.170 2.747 2.264 3.985 . 0 0 "[ . 1 . 2]" 1
383 1 26 LEU H 1 27 PHE H . . 3.650 2.734 2.628 2.823 . 0 0 "[ . 1 . 2]" 1
384 1 26 LEU HA 1 26 LEU MD1 . . 3.500 3.302 1.934 3.739 0.239 14 0 "[ . 1 . 2]" 1
385 1 26 LEU HA 1 26 LEU QD . . 3.060 1.884 1.838 1.932 . 0 0 "[ . 1 . 2]" 1
386 1 26 LEU HA 1 26 LEU MD2 . . 3.500 1.992 1.842 2.613 . 0 0 "[ . 1 . 2]" 1
387 1 26 LEU HA 1 26 LEU HG . . 4.160 3.307 3.089 3.706 . 0 0 "[ . 1 . 2]" 1
388 1 26 LEU HA 1 29 GLN H . . 4.760 3.760 3.512 4.209 . 0 0 "[ . 1 . 2]" 1
389 1 26 LEU HA 1 29 GLN QG . . 5.180 4.413 2.653 5.122 . 0 0 "[ . 1 . 2]" 1
390 1 26 LEU QB 1 27 PHE H . . 3.590 2.565 2.416 2.857 . 0 0 "[ . 1 . 2]" 1
391 1 26 LEU QB 1 27 PHE QD . . 4.370 3.563 2.836 3.994 . 0 0 "[ . 1 . 2]" 1
392 1 26 LEU QB 1 28 SER H . . 5.040 4.572 4.444 4.720 . 0 0 "[ . 1 . 2]" 1
393 1 26 LEU HB2 1 27 PHE H . . 4.130 2.649 2.469 3.043 . 0 0 "[ . 1 . 2]" 1
394 1 26 LEU HB3 1 27 PHE H . . 4.130 3.492 3.151 3.698 . 0 0 "[ . 1 . 2]" 1
395 1 26 LEU MD1 1 27 PHE H . . 5.500 4.622 4.496 4.733 . 0 0 "[ . 1 . 2]" 1
396 1 26 LEU MD2 1 27 PHE H . . 5.500 4.461 4.080 4.587 . 0 0 "[ . 1 . 2]" 1
397 1 26 LEU HG 1 27 PHE H . . 5.410 4.563 4.264 5.311 . 0 0 "[ . 1 . 2]" 1
398 1 27 PHE H 1 27 PHE HB2 . . 4.090 2.354 2.313 2.438 . 0 0 "[ . 1 . 2]" 1
399 1 27 PHE H 1 27 PHE QB . . 3.300 2.324 2.286 2.402 . 0 0 "[ . 1 . 2]" 1
400 1 27 PHE H 1 27 PHE HB3 . . 4.090 3.587 3.568 3.627 . 0 0 "[ . 1 . 2]" 1
401 1 27 PHE H 1 27 PHE QD . . 3.930 2.811 2.334 3.232 . 0 0 "[ . 1 . 2]" 1
402 1 27 PHE H 1 28 SER H . . 3.880 2.466 2.303 2.624 . 0 0 "[ . 1 . 2]" 1
403 1 27 PHE HA 1 27 PHE QD . . 4.050 2.561 2.182 3.001 . 0 0 "[ . 1 . 2]" 1
404 1 27 PHE HA 1 29 GLN H . . 4.900 3.911 3.690 4.155 . 0 0 "[ . 1 . 2]" 1
405 1 27 PHE HA 1 30 ILE H . . 4.310 3.328 3.185 3.512 . 0 0 "[ . 1 . 2]" 1
406 1 27 PHE HA 1 30 ILE MD . . 4.580 4.539 4.344 4.628 0.048 19 0 "[ . 1 . 2]" 1
407 1 27 PHE HA 1 30 ILE HG12 . . 4.260 3.030 2.850 3.128 . 0 0 "[ . 1 . 2]" 1
408 1 27 PHE HA 1 53 PHE QE . . 5.160 3.854 3.264 4.118 . 0 0 "[ . 1 . 2]" 1
409 1 27 PHE HA 1 62 ALA MB . . 4.650 3.358 2.944 3.909 . 0 0 "[ . 1 . 2]" 1
410 1 27 PHE QB 1 51 VAL QG . . 4.040 2.913 2.285 3.391 . 0 0 "[ . 1 . 2]" 1
411 1 27 PHE QB 1 53 PHE QE . . 3.830 2.698 2.060 2.994 . 0 0 "[ . 1 . 2]" 1
412 1 27 PHE HB2 1 28 SER H . . 4.110 2.911 2.767 3.116 . 0 0 "[ . 1 . 2]" 1
413 1 27 PHE HB2 1 53 PHE QE . . 4.450 4.021 3.149 4.343 . 0 0 "[ . 1 . 2]" 1
414 1 27 PHE HB3 1 28 SER H . . 4.110 3.725 3.578 3.926 . 0 0 "[ . 1 . 2]" 1
415 1 27 PHE HB3 1 53 PHE QE . . 4.450 2.742 2.088 3.052 . 0 0 "[ . 1 . 2]" 1
416 1 27 PHE QD 1 51 VAL MG1 . . 4.960 2.914 2.626 3.342 . 0 0 "[ . 1 . 2]" 1
417 1 27 PHE QD 1 51 VAL QG . . 4.340 2.671 2.402 2.846 . 0 0 "[ . 1 . 2]" 1
418 1 27 PHE QD 1 51 VAL MG2 . . 4.960 3.156 2.558 3.356 . 0 0 "[ . 1 . 2]" 1
419 1 27 PHE QD 1 62 ALA MB . . 3.580 1.983 1.579 2.428 . 0 0 "[ . 1 . 2]" 1
420 1 27 PHE QE 1 62 ALA MB . . 3.840 2.521 2.120 2.926 . 0 0 "[ . 1 . 2]" 1
421 1 27 PHE QE 1 78 VAL MG1 . . 4.040 2.857 2.219 3.447 . 0 0 "[ . 1 . 2]" 1
422 1 27 PHE QE 1 78 VAL MG2 . . 3.650 3.331 2.660 3.720 0.070 5 0 "[ . 1 . 2]" 1
423 1 28 SER H 1 28 SER QB . . 3.870 2.339 2.231 2.462 . 0 0 "[ . 1 . 2]" 1
424 1 28 SER H 1 29 GLN H . . 3.930 2.600 2.537 2.771 . 0 0 "[ . 1 . 2]" 1
425 1 28 SER H 1 30 ILE H . . 4.670 4.046 3.903 4.228 . 0 0 "[ . 1 . 2]" 1
426 1 28 SER HA 1 30 ILE H . . 4.850 3.786 3.446 4.146 . 0 0 "[ . 1 . 2]" 1
427 1 28 SER HA 1 31 GLY H . . 4.190 3.313 3.068 3.521 . 0 0 "[ . 1 . 2]" 1
428 1 28 SER QB 1 29 GLN H . . 3.750 2.846 2.708 3.037 . 0 0 "[ . 1 . 2]" 1
429 1 29 GLN H 1 29 GLN QB . . 3.310 2.278 2.101 2.610 . 0 0 "[ . 1 . 2]" 1
430 1 29 GLN H 1 29 GLN QG . . 4.030 3.696 1.848 4.045 0.015 11 0 "[ . 1 . 2]" 1
431 1 29 GLN H 1 30 ILE H . . 3.620 2.550 2.442 2.644 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLN HA 1 30 ILE H . . 3.550 3.450 3.345 3.530 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLN QB 1 30 ILE MD . . 3.770 3.374 3.091 3.805 0.035 7 0 "[ . 1 . 2]" 1
434 1 30 ILE H 1 30 ILE HB . . 3.740 2.588 2.521 2.645 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE H 1 30 ILE MD . . 4.150 3.358 3.214 3.537 . 0 0 "[ . 1 . 2]" 1
436 1 30 ILE H 1 30 ILE HG12 . . 3.140 2.386 2.189 2.609 . 0 0 "[ . 1 . 2]" 1
437 1 30 ILE H 1 30 ILE HG13 . . 4.610 3.822 3.662 3.982 . 0 0 "[ . 1 . 2]" 1
438 1 30 ILE H 1 30 ILE MG . . 4.340 3.818 3.777 3.849 . 0 0 "[ . 1 . 2]" 1
439 1 30 ILE H 1 31 GLY H . . 3.380 2.364 2.238 2.591 . 0 0 "[ . 1 . 2]" 1
440 1 30 ILE HA 1 30 ILE MD . . 3.480 2.076 2.005 2.155 . 0 0 "[ . 1 . 2]" 1
441 1 30 ILE HA 1 30 ILE HG12 . . 4.130 3.148 3.102 3.213 . 0 0 "[ . 1 . 2]" 1
442 1 30 ILE HA 1 30 ILE MG . . 3.230 2.358 2.321 2.402 . 0 0 "[ . 1 . 2]" 1
443 1 30 ILE HB 1 31 GLY H . . 3.740 2.404 2.352 2.493 . 0 0 "[ . 1 . 2]" 1
444 1 30 ILE HB 1 53 PHE QE . . 4.420 2.882 2.303 4.145 . 0 0 "[ . 1 . 2]" 1
445 1 30 ILE HB 1 62 ALA MB . . 4.110 2.520 2.070 2.932 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE MD 1 30 ILE MG . . 2.960 1.993 1.960 2.025 . 0 0 "[ . 1 . 2]" 1
447 1 30 ILE MD 1 61 ALA MB . . 4.410 3.187 2.792 3.497 . 0 0 "[ . 1 . 2]" 1
448 1 30 ILE MD 1 62 ALA HA . . 3.880 3.352 3.100 3.605 . 0 0 "[ . 1 . 2]" 1
449 1 30 ILE MD 1 65 ALA MB . . 3.360 3.015 2.636 3.395 0.035 7 0 "[ . 1 . 2]" 1
450 1 30 ILE HG12 1 31 GLY H . . 4.850 4.043 3.941 4.127 . 0 0 "[ . 1 . 2]" 1
451 1 30 ILE HG13 1 30 ILE MG . . 3.430 2.354 2.335 2.376 . 0 0 "[ . 1 . 2]" 1
452 1 30 ILE HG13 1 62 ALA HA . . 4.190 2.300 1.904 2.856 . 0 0 "[ . 1 . 2]" 1
453 1 30 ILE MG 1 31 GLY H . . 4.140 3.390 3.290 3.477 . 0 0 "[ . 1 . 2]" 1
454 1 30 ILE MG 1 53 PHE QE . . 4.680 3.537 2.824 4.390 . 0 0 "[ . 1 . 2]" 1
455 1 30 ILE MG 1 58 HIS HA . . 3.950 3.158 2.703 3.502 . 0 0 "[ . 1 . 2]" 1
456 1 30 ILE MG 1 58 HIS QB . . 4.130 2.325 1.791 2.790 . 0 0 "[ . 1 . 2]" 1
457 1 30 ILE MG 1 58 HIS HD2 . . 3.930 3.087 2.697 3.745 . 0 0 "[ . 1 . 2]" 1
458 1 30 ILE MG 1 59 ALA HA . . 4.990 4.023 3.644 4.298 . 0 0 "[ . 1 . 2]" 1
459 1 30 ILE MG 1 60 ALA MB . . 5.120 5.251 5.199 5.396 0.276 20 0 "[ . 1 . 2]" 1
460 1 30 ILE MG 1 61 ALA H . . 4.800 3.730 3.541 3.892 . 0 0 "[ . 1 . 2]" 1
461 1 30 ILE MG 1 61 ALA MB . . 3.210 2.102 1.915 2.432 . 0 0 "[ . 1 . 2]" 1
462 1 30 ILE MG 1 62 ALA H . . 3.770 2.291 2.128 2.383 . 0 0 "[ . 1 . 2]" 1
463 1 30 ILE MG 1 62 ALA HA . . 4.070 2.670 2.333 3.037 . 0 0 "[ . 1 . 2]" 1
464 1 30 ILE MG 1 62 ALA MB . . 3.020 2.098 1.843 2.320 . 0 0 "[ . 1 . 2]" 1
465 1 30 ILE MG 1 63 LEU H . . 5.470 4.433 4.308 4.625 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLY H 1 58 HIS QB . . 4.610 3.974 3.707 4.721 0.111 20 0 "[ . 1 . 2]" 1
467 1 31 GLY H 1 62 ALA MB . . 5.290 4.326 3.906 4.888 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLY HA2 1 32 PRO QD . . 3.570 2.016 1.863 2.270 . 0 0 "[ . 1 . 2]" 1
469 1 31 GLY HA3 1 32 PRO HD2 . . 3.930 2.896 2.386 3.199 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLY HA3 1 32 PRO QD . . 3.370 2.586 2.314 2.781 . 0 0 "[ . 1 . 2]" 1
471 1 31 GLY HA3 1 32 PRO HD3 . . 3.930 3.009 2.570 3.661 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLY HA3 1 53 PHE QB . . 4.170 4.133 3.452 4.222 0.052 4 0 "[ . 1 . 2]" 1
473 1 31 GLY HA3 1 53 PHE QD . . 3.770 2.542 2.203 3.722 . 0 0 "[ . 1 . 2]" 1
474 1 31 GLY HA3 1 54 HIS H . . 5.200 5.207 5.052 5.299 0.099 6 0 "[ . 1 . 2]" 1
475 1 31 GLY HA3 1 55 GLU H . . 5.120 4.951 4.494 5.174 0.054 1 0 "[ . 1 . 2]" 1
476 1 32 PRO HA 1 33 CYS H . . 3.210 2.147 2.110 2.187 . 0 0 "[ . 1 . 2]" 1
477 1 32 PRO QB 1 33 CYS H . . 3.850 3.486 3.291 3.631 . 0 0 "[ . 1 . 2]" 1
478 1 32 PRO QB 1 54 HIS QB . . 4.250 2.498 1.927 3.821 . 0 0 "[ . 1 . 2]" 1
479 1 32 PRO QB 1 54 HIS HD2 . . 3.330 2.027 1.548 2.836 . 0 0 "[ . 1 . 2]" 1
480 1 32 PRO HB2 1 54 HIS HD2 . . 4.090 2.057 1.553 2.934 . 0 0 "[ . 1 . 2]" 1
481 1 32 PRO HB3 1 54 HIS HD2 . . 4.090 3.296 2.800 4.099 0.009 14 0 "[ . 1 . 2]" 1
482 1 32 PRO QD 1 55 GLU HB2 . . 3.790 2.932 2.045 3.881 0.091 5 0 "[ . 1 . 2]" 1
483 1 32 PRO QD 1 55 GLU QG . . 5.340 3.378 1.582 4.643 . 0 0 "[ . 1 . 2]" 1
484 1 32 PRO QD 1 58 HIS HE1 . . 4.450 4.092 1.979 4.559 0.109 3 0 "[ . 1 . 2]" 1
485 1 32 PRO HD2 1 55 GLU HB2 . . 4.630 3.016 2.062 4.160 . 0 0 "[ . 1 . 2]" 1
486 1 32 PRO HD3 1 55 GLU HB2 . . 4.630 4.119 3.298 4.716 0.086 20 0 "[ . 1 . 2]" 1
487 1 32 PRO QG 1 54 HIS QB . . 4.760 2.827 1.744 3.729 . 0 0 "[ . 1 . 2]" 1
488 1 33 CYS H 1 33 CYS HB2 . . 4.110 3.058 2.464 3.628 . 0 0 "[ . 1 . 2]" 1
489 1 33 CYS H 1 33 CYS QB . . 3.480 2.607 2.407 2.924 . 0 0 "[ . 1 . 2]" 1
490 1 33 CYS H 1 33 CYS HB3 . . 4.110 3.192 2.649 3.669 . 0 0 "[ . 1 . 2]" 1
491 1 33 CYS H 1 54 HIS HD2 . . 4.490 4.134 3.587 4.537 0.047 20 0 "[ . 1 . 2]" 1
492 1 33 CYS HA 1 34 LYS H . . 3.450 2.172 2.098 2.281 . 0 0 "[ . 1 . 2]" 1
493 1 33 CYS HA 1 35 ASN H . . 4.360 4.067 3.760 4.366 0.006 13 0 "[ . 1 . 2]" 1
494 1 33 CYS HA 1 53 PHE HA . . 3.910 2.359 2.001 2.985 . 0 0 "[ . 1 . 2]" 1
495 1 33 CYS HA 1 54 HIS HD2 . . 4.970 4.148 3.728 4.805 . 0 0 "[ . 1 . 2]" 1
496 1 33 CYS QB 1 34 LYS H . . 3.960 3.078 2.771 3.781 . 0 0 "[ . 1 . 2]" 1
497 1 33 CYS QB 1 35 ASN H . . 3.920 3.631 3.139 3.943 0.023 11 0 "[ . 1 . 2]" 1
498 1 33 CYS QB 1 51 VAL QG . . 4.660 3.679 2.127 4.679 0.019 15 0 "[ . 1 . 2]" 1
499 1 33 CYS HB2 1 34 LYS H . . 4.610 3.636 3.042 4.373 . 0 0 "[ . 1 . 2]" 1
500 1 33 CYS HB3 1 34 LYS H . . 4.610 3.610 2.836 4.237 . 0 0 "[ . 1 . 2]" 1
501 1 34 LYS H 1 34 LYS HB2 . . 4.190 2.919 2.576 3.714 . 0 0 "[ . 1 . 2]" 1
502 1 34 LYS H 1 34 LYS QB . . 3.570 2.355 2.221 2.880 . 0 0 "[ . 1 . 2]" 1
503 1 34 LYS H 1 34 LYS HB3 . . 4.190 2.496 2.323 3.001 . 0 0 "[ . 1 . 2]" 1
504 1 34 LYS H 1 35 ASN H . . 3.670 2.284 1.991 2.478 . 0 0 "[ . 1 . 2]" 1
505 1 34 LYS H 1 53 PHE HA . . 4.280 2.803 2.196 3.879 . 0 0 "[ . 1 . 2]" 1
506 1 34 LYS HA 1 34 LYS QG . . 3.710 2.720 2.415 3.358 . 0 0 "[ . 1 . 2]" 1
507 1 34 LYS QB 1 35 ASN H . . 3.550 2.599 2.207 3.574 0.024 5 0 "[ . 1 . 2]" 1
508 1 34 LYS HB2 1 35 ASN H . . 4.250 3.853 3.654 4.043 . 0 0 "[ . 1 . 2]" 1
509 1 34 LYS HB3 1 35 ASN H . . 4.250 2.688 2.225 4.168 . 0 0 "[ . 1 . 2]" 1
510 1 34 LYS QD 1 54 HIS HE1 . . 3.980 3.483 1.692 4.023 0.043 18 0 "[ . 1 . 2]" 1
511 1 34 LYS QG 1 35 ASN H . . 4.710 3.393 2.282 4.232 . 0 0 "[ . 1 . 2]" 1
512 1 34 LYS QG 1 54 HIS HE1 . . 3.690 2.872 2.369 3.823 0.133 5 0 "[ . 1 . 2]" 1
513 1 35 ASN H 1 36 CYS H . . 4.980 4.297 4.182 4.415 . 0 0 "[ . 1 . 2]" 1
514 1 35 ASN H 1 52 GLU H . . 4.480 3.090 2.775 3.566 . 0 0 "[ . 1 . 2]" 1
515 1 35 ASN H 1 52 GLU QB . . 3.880 2.515 2.228 3.106 . 0 0 "[ . 1 . 2]" 1
516 1 35 ASN HA 1 36 CYS H . . 3.320 2.278 2.122 2.442 . 0 0 "[ . 1 . 2]" 1
517 1 35 ASN QB 1 36 CYS H . . 3.400 3.284 2.364 3.562 0.162 8 0 "[ . 1 . 2]" 1
518 1 35 ASN QB 1 52 GLU QB . . 5.150 2.742 1.543 4.369 . 0 0 "[ . 1 . 2]" 1
519 1 36 CYS HA 1 37 LYS H . . 3.310 2.153 2.116 2.274 . 0 0 "[ . 1 . 2]" 1
520 1 36 CYS HA 1 51 VAL HA . . 3.700 2.527 2.172 2.943 . 0 0 "[ . 1 . 2]" 1
521 1 36 CYS HA 1 51 VAL QG . . 4.440 3.146 2.605 3.893 . 0 0 "[ . 1 . 2]" 1
522 1 36 CYS HA 1 52 GLU H . . 4.390 3.412 2.932 4.060 . 0 0 "[ . 1 . 2]" 1
523 1 36 CYS QB 1 37 LYS H . . 4.200 3.353 2.797 3.920 . 0 0 "[ . 1 . 2]" 1
524 1 36 CYS QB 1 37 LYS HB2 . . 5.500 5.464 5.138 5.702 0.202 20 0 "[ . 1 . 2]" 1
525 1 36 CYS QB 1 51 VAL QG . . 4.180 2.862 2.256 3.784 . 0 0 "[ . 1 . 2]" 1
526 1 37 LYS H 1 37 LYS HB2 . . 3.920 2.609 2.357 3.109 . 0 0 "[ . 1 . 2]" 1
527 1 37 LYS H 1 37 LYS HB3 . . 4.200 3.368 2.626 3.783 . 0 0 "[ . 1 . 2]" 1
528 1 37 LYS HA 1 38 MET H . . 3.260 2.146 2.096 2.278 . 0 0 "[ . 1 . 2]" 1
529 1 37 LYS HB2 1 50 PHE H . . 4.740 3.372 2.172 4.797 0.057 2 0 "[ . 1 . 2]" 1
530 1 37 LYS HB2 1 50 PHE HB2 . . 4.640 2.237 1.382 3.888 . 0 0 "[ . 1 . 2]" 1
531 1 37 LYS HB3 1 38 MET H . . 3.630 3.740 3.657 3.973 0.343 5 0 "[ . 1 . 2]" 1
532 1 37 LYS HB3 1 39 ILE MD . . 4.210 2.869 2.159 3.531 . 0 0 "[ . 1 . 2]" 1
533 1 37 LYS HB3 1 50 PHE HB2 . . 4.350 2.860 1.713 3.778 . 0 0 "[ . 1 . 2]" 1
534 1 37 LYS QD 1 38 MET H . . 4.080 3.627 2.426 4.244 0.164 8 0 "[ . 1 . 2]" 1
535 1 37 LYS QD 1 39 ILE MD . . 4.640 3.892 1.879 4.687 0.047 1 0 "[ . 1 . 2]" 1
536 1 37 LYS QE 1 39 ILE MD . . 4.110 3.115 1.613 4.199 0.089 10 0 "[ . 1 . 2]" 1
537 1 37 LYS QG 1 38 MET H . . 4.600 3.950 2.263 4.746 0.146 10 0 "[ . 1 . 2]" 1
538 1 37 LYS QG 1 50 PHE HB2 . . 3.980 3.361 2.169 4.045 0.065 2 0 "[ . 1 . 2]" 1
539 1 38 MET H 1 38 MET HB2 . . 4.200 3.084 2.316 3.859 . 0 0 "[ . 1 . 2]" 1
540 1 38 MET H 1 38 MET QB . . 3.490 2.572 2.288 3.139 . 0 0 "[ . 1 . 2]" 1
541 1 38 MET H 1 38 MET HB3 . . 4.200 2.979 2.468 3.807 . 0 0 "[ . 1 . 2]" 1
542 1 38 MET HA 1 39 ILE H . . 2.920 2.153 2.099 2.244 . 0 0 "[ . 1 . 2]" 1
543 1 38 MET HA 1 49 CYS HA . . 3.720 2.574 2.118 3.180 . 0 0 "[ . 1 . 2]" 1
544 1 38 MET HA 1 50 PHE H . . 4.870 3.649 3.044 4.109 . 0 0 "[ . 1 . 2]" 1
545 1 38 MET HB2 1 39 ILE H . . 4.440 4.120 2.950 4.513 0.073 9 0 "[ . 1 . 2]" 1
546 1 38 MET HB3 1 39 ILE H . . 4.440 4.213 3.640 4.446 0.006 13 0 "[ . 1 . 2]" 1
547 1 38 MET QG 1 39 ILE H . . 5.340 3.948 3.126 4.803 . 0 0 "[ . 1 . 2]" 1
548 1 39 ILE H 1 39 ILE HB . . 3.730 2.634 2.536 2.792 . 0 0 "[ . 1 . 2]" 1
549 1 39 ILE H 1 39 ILE MD . . 4.240 3.165 1.749 3.622 . 0 0 "[ . 1 . 2]" 1
550 1 39 ILE H 1 39 ILE HG12 . . 4.570 2.379 2.094 3.944 . 0 0 "[ . 1 . 2]" 1
551 1 39 ILE H 1 39 ILE QG . . 3.840 2.322 2.082 3.170 . 0 0 "[ . 1 . 2]" 1
552 1 39 ILE H 1 39 ILE HG13 . . 4.570 3.752 3.340 4.110 . 0 0 "[ . 1 . 2]" 1
553 1 39 ILE H 1 39 ILE MG . . 4.050 3.818 3.779 3.900 . 0 0 "[ . 1 . 2]" 1
554 1 39 ILE H 1 48 TYR H . . 5.030 3.864 3.352 4.268 . 0 0 "[ . 1 . 2]" 1
555 1 39 ILE H 1 49 CYS HA . . 4.110 2.663 2.366 3.069 . 0 0 "[ . 1 . 2]" 1
556 1 39 ILE H 1 49 CYS QB . . 5.340 3.890 3.329 4.479 . 0 0 "[ . 1 . 2]" 1
557 1 39 ILE H 1 50 PHE H . . 5.030 4.083 3.658 4.479 . 0 0 "[ . 1 . 2]" 1
558 1 39 ILE HA 1 39 ILE MD . . 3.490 2.167 1.984 3.200 . 0 0 "[ . 1 . 2]" 1
559 1 39 ILE HA 1 39 ILE MG . . 3.270 2.331 2.242 2.408 . 0 0 "[ . 1 . 2]" 1
560 1 39 ILE HA 1 40 MET H . . 3.170 2.217 2.130 2.305 . 0 0 "[ . 1 . 2]" 1
561 1 39 ILE HB 1 48 TYR H . . 4.710 2.841 2.360 3.242 . 0 0 "[ . 1 . 2]" 1
562 1 39 ILE HB 1 48 TYR QD . . 4.100 3.387 2.708 3.755 . 0 0 "[ . 1 . 2]" 1
563 1 39 ILE HB 1 48 TYR QE . . 5.060 3.440 2.889 3.853 . 0 0 "[ . 1 . 2]" 1
564 1 39 ILE HB 1 49 CYS HA . . 5.500 4.295 3.739 4.808 . 0 0 "[ . 1 . 2]" 1
565 1 39 ILE MD 1 40 MET H . . 4.880 4.011 3.603 4.752 . 0 0 "[ . 1 . 2]" 1
566 1 39 ILE MD 1 48 TYR QE . . 4.010 3.830 3.086 4.057 0.047 10 0 "[ . 1 . 2]" 1
567 1 39 ILE MD 1 49 CYS HA . . 5.500 4.495 2.149 4.792 . 0 0 "[ . 1 . 2]" 1
568 1 39 ILE MD 1 50 PHE H . . 4.510 4.406 2.761 4.568 0.058 20 0 "[ . 1 . 2]" 1
569 1 39 ILE MD 1 50 PHE QD . . 4.010 2.779 1.740 3.292 . 0 0 "[ . 1 . 2]" 1
570 1 39 ILE MD 1 50 PHE QE . . 4.030 3.202 2.735 3.949 . 0 0 "[ . 1 . 2]" 1
571 1 39 ILE QG 1 39 ILE MG . . 3.130 2.285 2.083 2.331 . 0 0 "[ . 1 . 2]" 1
572 1 39 ILE QG 1 48 TYR QD . . 5.310 3.131 2.768 3.462 . 0 0 "[ . 1 . 2]" 1
573 1 39 ILE QG 1 48 TYR QE . . 3.860 2.424 2.155 2.849 . 0 0 "[ . 1 . 2]" 1
574 1 39 ILE QG 1 49 CYS H . . 5.340 5.125 4.751 5.427 0.087 4 0 "[ . 1 . 2]" 1
575 1 39 ILE QG 1 49 CYS HA . . 4.850 3.324 2.975 4.248 . 0 0 "[ . 1 . 2]" 1
576 1 39 ILE QG 1 50 PHE H . . 4.840 3.670 3.240 4.863 0.023 4 0 "[ . 1 . 2]" 1
577 1 39 ILE QG 1 50 PHE HB2 . . 5.340 4.322 3.795 4.999 . 0 0 "[ . 1 . 2]" 1
578 1 39 ILE QG 1 50 PHE QE . . 4.670 2.304 1.804 3.000 . 0 0 "[ . 1 . 2]" 1
579 1 39 ILE MG 1 40 MET H . . 3.620 3.366 2.617 3.615 . 0 0 "[ . 1 . 2]" 1
580 1 39 ILE MG 1 40 MET HA . . 4.550 4.123 3.793 4.389 . 0 0 "[ . 1 . 2]" 1
581 1 39 ILE MG 1 40 MET QG . . 5.160 4.738 3.814 5.203 0.043 15 0 "[ . 1 . 2]" 1
582 1 39 ILE MG 1 41 ASP H . . 4.730 3.911 3.040 4.739 0.009 15 0 "[ . 1 . 2]" 1
583 1 39 ILE MG 1 41 ASP HA . . 5.500 4.044 3.393 5.015 . 0 0 "[ . 1 . 2]" 1
584 1 39 ILE MG 1 47 PRO HA . . 5.500 4.258 3.320 4.803 . 0 0 "[ . 1 . 2]" 1
585 1 39 ILE MG 1 48 TYR QD . . 4.580 3.891 3.535 4.183 . 0 0 "[ . 1 . 2]" 1
586 1 39 ILE MG 1 48 TYR QE . . 3.490 2.856 2.219 3.257 . 0 0 "[ . 1 . 2]" 1
587 1 40 MET H 1 40 MET QB . . 3.490 2.608 2.362 2.968 . 0 0 "[ . 1 . 2]" 1
588 1 40 MET H 1 40 MET QG . . 4.140 2.299 1.780 2.953 . 0 0 "[ . 1 . 2]" 1
589 1 40 MET HA 1 41 ASP H . . 3.510 2.164 2.105 2.250 . 0 0 "[ . 1 . 2]" 1
590 1 40 MET HA 1 47 PRO HB3 . . 4.100 2.625 1.526 3.914 . 0 0 "[ . 1 . 2]" 1
591 1 40 MET QB 1 41 ASP H . . 3.680 3.417 2.892 3.740 0.060 3 0 "[ . 1 . 2]" 1
592 1 40 MET QB 1 41 ASP QB . . 5.180 4.969 4.695 5.125 . 0 0 "[ . 1 . 2]" 1
593 1 40 MET HB2 1 41 ASP H . . 4.210 3.948 3.110 4.420 0.210 10 0 "[ . 1 . 2]" 1
594 1 40 MET HB3 1 41 ASP H . . 4.210 3.941 2.961 4.377 0.167 13 0 "[ . 1 . 2]" 1
595 1 41 ASP H 1 41 ASP QB . . 3.450 2.396 2.165 2.722 . 0 0 "[ . 1 . 2]" 1
596 1 41 ASP HA 1 42 THR H . . 3.410 2.286 2.083 2.803 . 0 0 "[ . 1 . 2]" 1
597 1 41 ASP HA 1 42 THR HA . . 4.840 4.325 4.226 4.506 . 0 0 "[ . 1 . 2]" 1
598 1 41 ASP HA 1 42 THR MG . . 4.310 4.006 3.677 5.194 0.884 1 1 "[+ . 1 . 2]" 1
599 1 41 ASP HA 1 43 ALA H . . 4.490 3.790 3.231 4.557 0.067 8 0 "[ . 1 . 2]" 1
600 1 41 ASP QB 1 42 THR H . . 3.870 3.200 1.668 3.974 0.104 13 0 "[ . 1 . 2]" 1
601 1 41 ASP QB 1 42 THR HB . . 5.340 5.426 4.888 5.607 0.267 12 0 "[ . 1 . 2]" 1
602 1 41 ASP QB 1 43 ALA H . . 5.040 3.313 2.293 4.421 . 0 0 "[ . 1 . 2]" 1
603 1 42 THR H 1 42 THR HB . . 4.200 2.776 2.466 3.559 . 0 0 "[ . 1 . 2]" 1
604 1 42 THR H 1 42 THR MG . . 4.010 2.210 1.960 3.767 . 0 0 "[ . 1 . 2]" 1
605 1 42 THR HA 1 42 THR MG . . 3.540 3.070 2.236 3.219 . 0 0 "[ . 1 . 2]" 1
606 1 42 THR HB 1 43 ALA H . . 4.800 4.172 3.131 4.406 . 0 0 "[ . 1 . 2]" 1
607 1 43 ALA H 1 43 ALA MB . . 3.250 2.592 2.255 3.008 . 0 0 "[ . 1 . 2]" 1
608 1 43 ALA MB 1 44 GLY H . . 4.000 2.825 1.898 3.719 . 0 0 "[ . 1 . 2]" 1
609 1 45 ASN H 1 45 ASN QB . . 3.460 2.711 2.176 3.414 . 0 0 "[ . 1 . 2]" 1
610 1 45 ASN H 1 46 ASP H . . 4.720 4.189 2.389 4.643 . 0 0 "[ . 1 . 2]" 1
611 1 45 ASN HA 1 46 ASP H . . 3.190 2.663 2.270 3.480 0.290 11 0 "[ . 1 . 2]" 1
612 1 45 ASN QB 1 46 ASP H . . 3.380 2.312 1.522 3.420 0.040 2 0 "[ . 1 . 2]" 1
613 1 46 ASP H 1 47 PRO QD . . 4.430 4.184 3.960 4.344 . 0 0 "[ . 1 . 2]" 1
614 1 47 PRO HA 1 48 TYR H . . 3.370 2.191 2.099 2.256 . 0 0 "[ . 1 . 2]" 1
615 1 47 PRO HA 1 48 TYR QD . . 4.080 3.246 3.080 3.563 . 0 0 "[ . 1 . 2]" 1
616 1 47 PRO HA 1 48 TYR QE . . 4.310 4.317 4.195 4.371 0.061 1 0 "[ . 1 . 2]" 1
617 1 47 PRO HB2 1 48 TYR H . . 4.160 3.525 3.086 3.962 . 0 0 "[ . 1 . 2]" 1
618 1 47 PRO HB3 1 48 TYR H . . 4.010 3.370 2.955 3.698 . 0 0 "[ . 1 . 2]" 1
619 1 48 TYR H 1 48 TYR QD . . 3.890 2.859 2.612 3.104 . 0 0 "[ . 1 . 2]" 1
620 1 48 TYR H 1 49 CYS H . . 5.430 4.408 4.357 4.443 . 0 0 "[ . 1 . 2]" 1
621 1 48 TYR HA 1 48 TYR QD . . 4.270 3.714 3.688 3.737 . 0 0 "[ . 1 . 2]" 1
622 1 48 TYR HA 1 49 CYS H . . 3.460 2.385 2.247 2.649 . 0 0 "[ . 1 . 2]" 1
623 1 48 TYR QB 1 49 CYS H . . 3.520 2.456 1.987 2.718 . 0 0 "[ . 1 . 2]" 1
624 1 48 TYR HB2 1 49 CYS H . . 4.170 2.496 1.999 2.779 . 0 0 "[ . 1 . 2]" 1
625 1 48 TYR HB3 1 49 CYS H . . 4.170 3.681 3.473 3.855 . 0 0 "[ . 1 . 2]" 1
626 1 48 TYR QD 1 49 CYS H . . 4.230 3.762 3.051 4.071 . 0 0 "[ . 1 . 2]" 1
627 1 48 TYR QD 1 50 PHE QD . . 4.050 3.851 3.444 4.072 0.022 17 0 "[ . 1 . 2]" 1
628 1 48 TYR QE 1 50 PHE QD . . 5.290 4.012 3.664 4.358 . 0 0 "[ . 1 . 2]" 1
629 1 49 CYS H 1 50 PHE H . . 5.140 4.361 4.282 4.444 . 0 0 "[ . 1 . 2]" 1
630 1 49 CYS HA 1 50 PHE H . . 3.270 2.174 2.128 2.253 . 0 0 "[ . 1 . 2]" 1
631 1 49 CYS HB2 1 50 PHE H . . 4.110 3.988 2.807 4.150 0.040 7 0 "[ . 1 . 2]" 1
632 1 49 CYS HB3 1 50 PHE H . . 4.110 4.035 3.911 4.120 0.010 12 0 "[ . 1 . 2]" 1
633 1 50 PHE H 1 50 PHE HB2 . . 3.710 2.444 2.385 2.560 . 0 0 "[ . 1 . 2]" 1
634 1 50 PHE H 1 50 PHE HB3 . . 3.950 3.655 3.619 3.728 . 0 0 "[ . 1 . 2]" 1
635 1 50 PHE H 1 51 VAL H . . 5.200 4.298 4.161 4.488 . 0 0 "[ . 1 . 2]" 1
636 1 50 PHE HA 1 50 PHE QE . . 4.470 4.522 4.437 4.610 0.140 10 0 "[ . 1 . 2]" 1
637 1 50 PHE HA 1 51 VAL H . . 3.220 2.171 2.133 2.238 . 0 0 "[ . 1 . 2]" 1
638 1 50 PHE HB3 1 51 VAL H . . 4.110 3.559 3.088 3.768 . 0 0 "[ . 1 . 2]" 1
639 1 50 PHE HB3 1 51 VAL HA . . 4.590 4.534 4.247 4.674 0.084 14 0 "[ . 1 . 2]" 1
640 1 50 PHE QD 1 51 VAL H . . 4.330 4.111 3.892 4.301 . 0 0 "[ . 1 . 2]" 1
641 1 50 PHE QD 1 81 ALA MB . . 4.310 2.859 2.317 3.783 . 0 0 "[ . 1 . 2]" 1
642 1 50 PHE QE 1 81 ALA MB . . 3.880 2.545 2.067 3.364 . 0 0 "[ . 1 . 2]" 1
643 1 51 VAL H 1 51 VAL HB . . 3.970 3.399 2.644 3.812 . 0 0 "[ . 1 . 2]" 1
644 1 51 VAL H 1 51 VAL QG . . 3.850 2.137 1.891 2.675 . 0 0 "[ . 1 . 2]" 1
645 1 51 VAL H 1 52 GLU H . . 5.160 4.292 4.051 4.438 . 0 0 "[ . 1 . 2]" 1
646 1 51 VAL HA 1 52 GLU H . . 3.170 2.127 2.076 2.172 . 0 0 "[ . 1 . 2]" 1
647 1 51 VAL HA 1 52 GLU QB . . 4.720 4.291 4.027 4.459 . 0 0 "[ . 1 . 2]" 1
648 1 51 VAL HB 1 52 GLU H . . 4.640 3.713 3.083 4.332 . 0 0 "[ . 1 . 2]" 1
649 1 51 VAL QG 1 52 GLU H . . 4.170 3.288 2.752 3.555 . 0 0 "[ . 1 . 2]" 1
650 1 51 VAL QG 1 53 PHE QE . . 3.760 2.478 1.957 3.323 . 0 0 "[ . 1 . 2]" 1
651 1 51 VAL MG1 1 52 GLU H . . 4.750 3.676 2.792 4.215 . 0 0 "[ . 1 . 2]" 1
652 1 51 VAL MG2 1 52 GLU H . . 4.750 3.969 2.985 4.240 . 0 0 "[ . 1 . 2]" 1
653 1 52 GLU H 1 52 GLU QB . . 3.580 2.413 2.158 2.534 . 0 0 "[ . 1 . 2]" 1
654 1 52 GLU HA 1 53 PHE H . . 3.480 2.157 2.112 2.219 . 0 0 "[ . 1 . 2]" 1
655 1 52 GLU QB 1 53 PHE H . . 4.160 3.231 2.759 3.772 . 0 0 "[ . 1 . 2]" 1
656 1 53 PHE H 1 53 PHE QD . . 4.060 2.676 2.192 3.105 . 0 0 "[ . 1 . 2]" 1
657 1 53 PHE H 1 59 ALA MB . . 4.700 4.074 3.694 4.696 . 0 0 "[ . 1 . 2]" 1
658 1 53 PHE HA 1 53 PHE QD . . 4.410 2.969 2.445 3.177 . 0 0 "[ . 1 . 2]" 1
659 1 53 PHE QB 1 59 ALA MB . . 4.310 2.410 1.977 3.007 . 0 0 "[ . 1 . 2]" 1
660 1 53 PHE QD 1 58 HIS HB2 . . 5.500 3.720 2.939 4.825 . 0 0 "[ . 1 . 2]" 1
661 1 53 PHE QD 1 58 HIS HB3 . . 5.500 3.922 2.859 5.611 0.111 7 0 "[ . 1 . 2]" 1
662 1 53 PHE QD 1 59 ALA HA . . 4.510 3.471 2.570 4.120 . 0 0 "[ . 1 . 2]" 1
663 1 53 PHE QD 1 59 ALA MB . . 3.710 3.020 1.978 3.657 . 0 0 "[ . 1 . 2]" 1
664 1 53 PHE QE 1 59 ALA HA . . 4.610 3.553 2.466 4.094 . 0 0 "[ . 1 . 2]" 1
665 1 53 PHE QE 1 62 ALA MB . . 3.380 2.899 2.353 3.269 . 0 0 "[ . 1 . 2]" 1
666 1 54 HIS H 1 54 HIS QB . . 3.540 2.370 2.276 2.477 . 0 0 "[ . 1 . 2]" 1
667 1 54 HIS H 1 54 HIS HD2 . . 4.260 3.205 2.853 3.617 . 0 0 "[ . 1 . 2]" 1
668 1 54 HIS H 1 55 GLU H . . 4.090 2.318 2.106 2.660 . 0 0 "[ . 1 . 2]" 1
669 1 54 HIS HA 1 54 HIS HD2 . . 5.200 4.386 4.196 4.596 . 0 0 "[ . 1 . 2]" 1
670 1 54 HIS QB 1 54 HIS HD2 . . 3.460 2.676 2.629 2.749 . 0 0 "[ . 1 . 2]" 1
671 1 54 HIS QB 1 55 GLU H . . 3.990 3.089 2.470 3.319 . 0 0 "[ . 1 . 2]" 1
672 1 54 HIS QB 1 55 GLU QG . . 3.960 3.532 2.749 4.166 0.206 3 0 "[ . 1 . 2]" 1
673 1 54 HIS HB2 1 55 GLU H . . 4.830 3.223 2.521 3.481 . 0 0 "[ . 1 . 2]" 1
674 1 54 HIS HB2 1 55 GLU QG . . 4.840 3.900 2.902 4.732 . 0 0 "[ . 1 . 2]" 1
675 1 54 HIS HB3 1 55 GLU H . . 4.830 3.981 3.543 4.196 . 0 0 "[ . 1 . 2]" 1
676 1 54 HIS HB3 1 55 GLU QG . . 4.840 4.082 3.162 4.752 . 0 0 "[ . 1 . 2]" 1
677 1 55 GLU H 1 55 GLU QG . . 4.200 3.575 2.565 4.211 0.011 10 0 "[ . 1 . 2]" 1
678 1 55 GLU HA 1 55 GLU QG . . 3.820 2.399 2.204 2.819 . 0 0 "[ . 1 . 2]" 1
679 1 55 GLU HB2 1 57 ARG H . . 4.670 4.749 3.753 5.404 0.734 19 9 "[* - .* * * *** +2]" 1
680 1 55 GLU HB2 1 58 HIS H . . 4.290 3.832 2.650 4.795 0.505 3 1 "[ + . 1 . 2]" 1
681 1 55 GLU QG 1 58 HIS HE1 . . 4.740 3.846 3.063 4.837 0.097 11 0 "[ . 1 . 2]" 1
682 1 56 HIS H 1 57 ARG H . . 4.920 2.566 2.431 2.747 . 0 0 "[ . 1 . 2]" 1
683 1 56 HIS HA 1 59 ALA MB . . 3.870 2.281 1.924 2.706 . 0 0 "[ . 1 . 2]" 1
684 1 56 HIS HB2 1 57 ARG H . . 4.320 4.070 3.836 4.168 . 0 0 "[ . 1 . 2]" 1
685 1 56 HIS HB3 1 57 ARG H . . 4.320 2.888 2.722 3.011 . 0 0 "[ . 1 . 2]" 1
686 1 56 HIS HD2 1 57 ARG HA . . 4.340 3.678 3.113 4.348 0.008 10 0 "[ . 1 . 2]" 1
687 1 56 HIS HD2 1 57 ARG QB . . 4.910 4.670 3.888 5.035 0.125 2 0 "[ . 1 . 2]" 1
688 1 57 ARG H 1 57 ARG QB . . 3.590 2.349 2.184 2.621 . 0 0 "[ . 1 . 2]" 1
689 1 57 ARG H 1 57 ARG QD . . 4.710 4.260 3.749 4.794 0.084 3 0 "[ . 1 . 2]" 1
690 1 57 ARG H 1 57 ARG QG . . 4.200 3.176 1.880 4.038 . 0 0 "[ . 1 . 2]" 1
691 1 57 ARG H 1 58 HIS H . . 4.360 2.612 2.472 2.797 . 0 0 "[ . 1 . 2]" 1
692 1 57 ARG HA 1 57 ARG QD . . 4.860 3.859 2.053 4.554 . 0 0 "[ . 1 . 2]" 1
693 1 57 ARG HA 1 57 ARG QG . . 3.680 2.685 2.368 3.351 . 0 0 "[ . 1 . 2]" 1
694 1 57 ARG QB 1 58 HIS H . . 4.930 2.794 2.454 3.651 . 0 0 "[ . 1 . 2]" 1
695 1 57 ARG QG 1 58 HIS H . . 4.280 3.633 2.253 4.181 . 0 0 "[ . 1 . 2]" 1
696 1 58 HIS H 1 58 HIS HB2 . . 4.170 2.447 2.228 3.729 . 0 0 "[ . 1 . 2]" 1
697 1 58 HIS H 1 58 HIS QB . . 3.550 2.330 2.205 2.920 . 0 0 "[ . 1 . 2]" 1
698 1 58 HIS H 1 58 HIS HB3 . . 4.170 3.502 2.658 3.602 . 0 0 "[ . 1 . 2]" 1
699 1 58 HIS H 1 59 ALA H . . 3.540 2.340 2.263 2.455 . 0 0 "[ . 1 . 2]" 1
700 1 58 HIS H 1 59 ALA MB . . 3.930 4.011 3.955 4.069 0.139 7 0 "[ . 1 . 2]" 1
701 1 58 HIS HA 1 58 HIS HD2 . . 3.230 2.956 2.301 4.144 0.914 7 2 "[ . + 1 . -]" 1
702 1 58 HIS HA 1 61 ALA H . . 4.620 3.128 2.359 3.457 . 0 0 "[ . 1 . 2]" 1
703 1 58 HIS HA 1 61 ALA MB . . 3.750 2.767 1.994 3.183 . 0 0 "[ . 1 . 2]" 1
704 1 58 HIS QB 1 59 ALA H . . 3.870 2.951 2.679 3.834 . 0 0 "[ . 1 . 2]" 1
705 1 58 HIS HD2 1 61 ALA MB . . 4.280 3.754 2.985 4.513 0.233 20 0 "[ . 1 . 2]" 1
706 1 59 ALA H 1 59 ALA MB . . 3.330 2.218 2.205 2.241 . 0 0 "[ . 1 . 2]" 1
707 1 59 ALA H 1 60 ALA H . . 3.850 2.624 2.546 2.739 . 0 0 "[ . 1 . 2]" 1
708 1 59 ALA H 1 61 ALA H . . 4.820 4.192 3.797 4.379 . 0 0 "[ . 1 . 2]" 1
709 1 59 ALA HA 1 62 ALA H . . 4.770 3.426 3.178 3.566 . 0 0 "[ . 1 . 2]" 1
710 1 59 ALA HA 1 62 ALA MB . . 3.670 2.631 2.288 3.204 . 0 0 "[ . 1 . 2]" 1
711 1 59 ALA MB 1 60 ALA H . . 3.630 2.607 2.434 2.852 . 0 0 "[ . 1 . 2]" 1
712 1 59 ALA MB 1 60 ALA HA . . 4.280 3.891 3.840 3.992 . 0 0 "[ . 1 . 2]" 1
713 1 59 ALA MB 1 63 LEU H . . 5.400 4.582 4.421 4.846 . 0 0 "[ . 1 . 2]" 1
714 1 60 ALA H 1 60 ALA MB . . 3.200 2.217 2.208 2.232 . 0 0 "[ . 1 . 2]" 1
715 1 60 ALA H 1 61 ALA H . . 3.600 2.665 2.443 2.785 . 0 0 "[ . 1 . 2]" 1
716 1 60 ALA HA 1 63 LEU H . . 4.140 3.502 3.189 3.742 . 0 0 "[ . 1 . 2]" 1
717 1 60 ALA HA 1 63 LEU QB . . 4.190 2.702 2.194 3.144 . 0 0 "[ . 1 . 2]" 1
718 1 60 ALA MB 1 61 ALA H . . 3.470 2.470 2.307 2.736 . 0 0 "[ . 1 . 2]" 1
719 1 60 ALA MB 1 61 ALA HA . . 4.610 3.810 3.773 3.864 . 0 0 "[ . 1 . 2]" 1
720 1 60 ALA MB 1 63 LEU H . . 4.880 4.592 4.400 4.770 . 0 0 "[ . 1 . 2]" 1
721 1 61 ALA H 1 61 ALA MB . . 3.040 2.235 2.202 2.255 . 0 0 "[ . 1 . 2]" 1
722 1 61 ALA H 1 62 ALA H . . 3.700 2.609 2.420 2.783 . 0 0 "[ . 1 . 2]" 1
723 1 61 ALA HA 1 63 LEU H . . 4.980 4.350 4.073 4.491 . 0 0 "[ . 1 . 2]" 1
724 1 61 ALA MB 1 62 ALA H . . 3.440 2.552 2.380 2.655 . 0 0 "[ . 1 . 2]" 1
725 1 61 ALA MB 1 62 ALA HA . . 4.100 3.862 3.800 3.892 . 0 0 "[ . 1 . 2]" 1
726 1 62 ALA H 1 62 ALA MB . . 3.150 2.236 2.225 2.247 . 0 0 "[ . 1 . 2]" 1
727 1 62 ALA H 1 63 LEU H . . 3.760 2.626 2.457 2.787 . 0 0 "[ . 1 . 2]" 1
728 1 62 ALA HA 1 65 ALA H . . 4.110 3.570 3.291 3.874 . 0 0 "[ . 1 . 2]" 1
729 1 62 ALA HA 1 65 ALA MB . . 3.800 2.841 2.380 3.283 . 0 0 "[ . 1 . 2]" 1
730 1 62 ALA HA 1 66 MET H . . 4.720 3.845 3.251 4.681 . 0 0 "[ . 1 . 2]" 1
731 1 63 LEU H 1 63 LEU HB2 . . 3.230 2.354 2.153 2.605 . 0 0 "[ . 1 . 2]" 1
732 1 63 LEU H 1 63 LEU QB . . 2.820 2.185 2.093 2.243 . 0 0 "[ . 1 . 2]" 1
733 1 63 LEU H 1 63 LEU HB3 . . 3.230 2.633 2.419 2.849 . 0 0 "[ . 1 . 2]" 1
734 1 63 LEU H 1 63 LEU QD . . 4.530 3.652 3.473 3.736 . 0 0 "[ . 1 . 2]" 1
735 1 63 LEU H 1 64 ALA H . . 3.760 2.837 2.665 2.964 . 0 0 "[ . 1 . 2]" 1
736 1 63 LEU HA 1 63 LEU MD1 . . 4.600 3.013 2.398 3.642 . 0 0 "[ . 1 . 2]" 1
737 1 63 LEU HA 1 63 LEU QD . . 3.580 2.400 1.817 3.099 . 0 0 "[ . 1 . 2]" 1
738 1 63 LEU HA 1 63 LEU MD2 . . 4.600 2.852 1.851 3.910 . 0 0 "[ . 1 . 2]" 1
739 1 63 LEU HA 1 63 LEU HG . . 4.040 3.106 2.461 3.765 . 0 0 "[ . 1 . 2]" 1
740 1 63 LEU HA 1 78 VAL HB . . 4.630 3.105 2.551 3.972 . 0 0 "[ . 1 . 2]" 1
741 1 63 LEU HA 1 78 VAL MG1 . . 3.310 2.130 1.623 2.797 . 0 0 "[ . 1 . 2]" 1
742 1 63 LEU QB 1 64 ALA H . . 3.530 2.313 2.088 2.593 . 0 0 "[ . 1 . 2]" 1
743 1 63 LEU HB2 1 64 ALA H . . 4.190 3.652 3.495 3.942 . 0 0 "[ . 1 . 2]" 1
744 1 63 LEU HB3 1 64 ALA H . . 4.190 2.340 2.104 2.630 . 0 0 "[ . 1 . 2]" 1
745 1 63 LEU QD 1 64 ALA H . . 4.290 3.186 2.865 3.629 . 0 0 "[ . 1 . 2]" 1
746 1 63 LEU QD 1 64 ALA HA . . 4.350 2.971 2.427 3.703 . 0 0 "[ . 1 . 2]" 1
747 1 63 LEU QD 1 64 ALA MB . . 4.190 3.278 2.871 3.802 . 0 0 "[ . 1 . 2]" 1
748 1 63 LEU QD 1 67 ASN QB . . 4.170 2.925 2.446 3.639 . 0 0 "[ . 1 . 2]" 1
749 1 63 LEU QD 1 78 VAL HB . . 3.820 2.983 2.411 3.781 . 0 0 "[ . 1 . 2]" 1
750 1 63 LEU QD 1 78 VAL MG1 . . 3.250 1.944 1.492 3.023 . 0 0 "[ . 1 . 2]" 1
751 1 63 LEU QD 1 79 ASN HA . . 3.180 2.318 1.769 2.663 . 0 0 "[ . 1 . 2]" 1
752 1 63 LEU QD 1 79 ASN QB . . 5.220 3.853 3.257 4.144 . 0 0 "[ . 1 . 2]" 1
753 1 63 LEU QD 1 80 TRP H . . 3.810 2.980 2.133 3.726 . 0 0 "[ . 1 . 2]" 1
754 1 63 LEU QD 1 80 TRP HD1 . . 3.710 2.741 1.678 3.731 0.021 12 0 "[ . 1 . 2]" 1
755 1 63 LEU QD 1 80 TRP HE1 . . 3.740 2.877 2.004 3.643 . 0 0 "[ . 1 . 2]" 1
756 1 63 LEU MD1 1 78 VAL HB . . 4.580 3.659 2.419 4.609 0.029 19 0 "[ . 1 . 2]" 1
757 1 63 LEU MD1 1 79 ASN HA . . 4.330 2.915 2.139 3.902 . 0 0 "[ . 1 . 2]" 1
758 1 63 LEU MD1 1 80 TRP H . . 5.070 3.607 2.146 4.729 . 0 0 "[ . 1 . 2]" 1
759 1 63 LEU MD1 1 80 TRP HD1 . . 4.330 3.109 1.684 4.251 . 0 0 "[ . 1 . 2]" 1
760 1 63 LEU MD1 1 80 TRP HE1 . . 4.250 3.246 2.313 4.274 0.024 14 0 "[ . 1 . 2]" 1
761 1 63 LEU MD2 1 78 VAL HB . . 4.580 3.597 2.463 4.730 0.150 14 0 "[ . 1 . 2]" 1
762 1 63 LEU MD2 1 79 ASN HA . . 4.330 3.106 1.781 4.359 0.029 17 0 "[ . 1 . 2]" 1
763 1 63 LEU MD2 1 80 TRP H . . 5.070 3.867 2.365 5.079 0.009 2 0 "[ . 1 . 2]" 1
764 1 63 LEU MD2 1 80 TRP HD1 . . 4.330 3.417 2.134 4.380 0.050 15 0 "[ . 1 . 2]" 1
765 1 63 LEU MD2 1 80 TRP HE1 . . 4.250 3.466 2.072 4.334 0.084 9 0 "[ . 1 . 2]" 1
766 1 63 LEU HG 1 79 ASN HA . . 4.640 4.274 3.081 4.685 0.045 5 0 "[ . 1 . 2]" 1
767 1 64 ALA H 1 64 ALA MB . . 2.950 2.240 2.227 2.259 . 0 0 "[ . 1 . 2]" 1
768 1 64 ALA H 1 65 ALA H . . 3.720 2.606 2.421 2.745 . 0 0 "[ . 1 . 2]" 1
769 1 64 ALA H 1 66 MET H . . 4.410 4.198 3.988 4.467 0.057 7 0 "[ . 1 . 2]" 1
770 1 64 ALA MB 1 65 ALA H . . 3.430 2.756 2.290 3.070 . 0 0 "[ . 1 . 2]" 1
771 1 65 ALA H 1 65 ALA MB . . 2.980 2.278 2.239 2.314 . 0 0 "[ . 1 . 2]" 1
772 1 65 ALA H 1 66 MET H . . 3.590 2.439 2.300 2.626 . 0 0 "[ . 1 . 2]" 1
773 1 65 ALA MB 1 66 MET H . . 3.610 2.795 2.473 3.102 . 0 0 "[ . 1 . 2]" 1
774 1 65 ALA MB 1 66 MET HA . . 4.640 3.866 3.764 4.021 . 0 0 "[ . 1 . 2]" 1
775 1 65 ALA MB 1 67 ASN H . . 4.690 4.588 4.360 4.793 0.103 2 0 "[ . 1 . 2]" 1
776 1 66 MET H 1 66 MET HB2 . . 3.700 2.540 2.337 2.993 . 0 0 "[ . 1 . 2]" 1
777 1 66 MET H 1 66 MET HB3 . . 3.700 3.156 2.573 3.740 0.040 1 0 "[ . 1 . 2]" 1
778 1 66 MET H 1 67 ASN H . . 3.670 2.267 1.986 2.417 . 0 0 "[ . 1 . 2]" 1
779 1 66 MET H 1 78 VAL MG2 . . 4.530 3.976 3.579 4.450 . 0 0 "[ . 1 . 2]" 1
780 1 66 MET HA 1 69 ARG QB . . 4.380 2.688 2.180 3.144 . 0 0 "[ . 1 . 2]" 1
781 1 66 MET HA 1 69 ARG QD . . 4.290 3.151 2.191 4.350 0.060 20 0 "[ . 1 . 2]" 1
782 1 66 MET HA 1 69 ARG QG . . 4.500 4.189 3.292 4.592 0.092 4 0 "[ . 1 . 2]" 1
783 1 66 MET HB2 1 78 VAL MG2 . . 3.680 2.859 1.783 3.722 0.042 8 0 "[ . 1 . 2]" 1
784 1 66 MET HB3 1 78 VAL MG2 . . 3.680 2.241 1.712 2.794 . 0 0 "[ . 1 . 2]" 1
785 1 67 ASN H 1 67 ASN HB2 . . 3.920 2.612 2.453 3.671 . 0 0 "[ . 1 . 2]" 1
786 1 67 ASN H 1 67 ASN QB . . 3.050 2.295 2.254 2.610 . 0 0 "[ . 1 . 2]" 1
787 1 67 ASN H 1 67 ASN HB3 . . 3.920 2.574 2.437 2.671 . 0 0 "[ . 1 . 2]" 1
788 1 67 ASN H 1 68 GLY H . . 5.060 4.481 4.377 4.629 . 0 0 "[ . 1 . 2]" 1
789 1 67 ASN H 1 69 ARG H . . 4.930 4.692 4.437 4.834 . 0 0 "[ . 1 . 2]" 1
790 1 67 ASN H 1 78 VAL H . . 5.500 4.840 4.025 5.530 0.030 5 0 "[ . 1 . 2]" 1
791 1 67 ASN H 1 78 VAL HB . . 3.920 3.350 2.915 3.867 . 0 0 "[ . 1 . 2]" 1
792 1 67 ASN H 1 78 VAL MG2 . . 4.190 3.195 2.779 3.632 . 0 0 "[ . 1 . 2]" 1
793 1 67 ASN HA 1 68 GLY H . . 3.140 2.152 2.116 2.225 . 0 0 "[ . 1 . 2]" 1
794 1 67 ASN HA 1 69 ARG H . . 4.570 3.465 3.157 3.741 . 0 0 "[ . 1 . 2]" 1
795 1 67 ASN HA 1 76 VAL MG2 . . 3.620 2.941 2.368 3.638 0.018 13 0 "[ . 1 . 2]" 1
796 1 67 ASN HA 1 78 VAL H . . 4.130 2.687 1.988 3.407 . 0 0 "[ . 1 . 2]" 1
797 1 67 ASN HA 1 78 VAL HB . . 4.410 3.026 2.309 3.517 . 0 0 "[ . 1 . 2]" 1
798 1 67 ASN HA 1 78 VAL MG2 . . 3.510 2.248 1.835 2.591 . 0 0 "[ . 1 . 2]" 1
799 1 67 ASN QB 1 78 VAL H . . 4.380 2.907 2.367 3.773 . 0 0 "[ . 1 . 2]" 1
800 1 67 ASN QB 1 78 VAL HB . . 3.750 1.993 1.613 2.654 . 0 0 "[ . 1 . 2]" 1
801 1 67 ASN QB 1 78 VAL MG2 . . 4.250 3.052 2.380 3.628 . 0 0 "[ . 1 . 2]" 1
802 1 67 ASN HB2 1 68 GLY H . . 4.540 4.255 2.768 4.468 . 0 0 "[ . 1 . 2]" 1
803 1 67 ASN HB2 1 78 VAL HB . . 4.300 2.082 1.616 3.242 . 0 0 "[ . 1 . 2]" 1
804 1 67 ASN HB2 1 78 VAL MG2 . . 4.900 3.174 2.545 3.756 . 0 0 "[ . 1 . 2]" 1
805 1 67 ASN HB3 1 68 GLY H . . 4.540 4.245 3.942 4.384 . 0 0 "[ . 1 . 2]" 1
806 1 67 ASN HB3 1 78 VAL HB . . 4.300 3.604 1.655 4.300 . 0 0 "[ . 1 . 2]" 1
807 1 67 ASN HB3 1 78 VAL MG2 . . 4.900 4.208 2.438 4.804 . 0 0 "[ . 1 . 2]" 1
808 1 68 GLY H 1 69 ARG H . . 3.610 2.337 2.130 2.501 . 0 0 "[ . 1 . 2]" 1
809 1 68 GLY H 1 69 ARG QB . . 4.630 4.183 3.886 4.451 . 0 0 "[ . 1 . 2]" 1
810 1 68 GLY H 1 76 VAL MG1 . . 5.400 5.055 4.346 5.327 . 0 0 "[ . 1 . 2]" 1
811 1 68 GLY H 1 78 VAL MG2 . . 5.500 3.711 3.221 4.151 . 0 0 "[ . 1 . 2]" 1
812 1 68 GLY QA 1 76 VAL MG2 . . 3.680 3.664 3.187 3.872 0.192 19 0 "[ . 1 . 2]" 1
813 1 69 ARG H 1 69 ARG QB . . 3.120 2.283 2.173 2.378 . 0 0 "[ . 1 . 2]" 1
814 1 69 ARG H 1 76 VAL H . . 5.500 4.095 3.736 5.342 . 0 0 "[ . 1 . 2]" 1
815 1 69 ARG H 1 76 VAL HB . . 4.980 4.980 4.816 5.072 0.092 5 0 "[ . 1 . 2]" 1
816 1 69 ARG H 1 76 VAL MG1 . . 4.520 4.481 4.207 4.614 0.094 12 0 "[ . 1 . 2]" 1
817 1 69 ARG H 1 76 VAL MG2 . . 3.700 2.284 2.109 2.456 . 0 0 "[ . 1 . 2]" 1
818 1 69 ARG HA 1 69 ARG QD . . 3.990 3.415 2.027 3.997 0.007 17 0 "[ . 1 . 2]" 1
819 1 69 ARG HA 1 69 ARG QG . . 3.120 2.520 2.199 2.937 . 0 0 "[ . 1 . 2]" 1
820 1 69 ARG HA 1 70 LYS H . . 3.010 2.273 2.116 2.488 . 0 0 "[ . 1 . 2]" 1
821 1 69 ARG QB 1 69 ARG QD . . 3.260 2.189 2.060 2.694 . 0 0 "[ . 1 . 2]" 1
822 1 69 ARG QB 1 70 LYS H . . 4.640 3.510 3.166 3.770 . 0 0 "[ . 1 . 2]" 1
823 1 69 ARG QD 1 70 LYS H . . 4.800 4.006 2.147 4.881 0.081 11 0 "[ . 1 . 2]" 1
824 1 69 ARG QG 1 70 LYS H . . 3.000 2.358 1.774 2.881 . 0 0 "[ . 1 . 2]" 1
825 1 69 ARG HG2 1 70 LYS H . . 3.480 3.141 2.252 3.646 0.166 16 0 "[ . 1 . 2]" 1
826 1 69 ARG HG3 1 70 LYS H . . 3.480 2.632 1.779 3.523 0.043 5 0 "[ . 1 . 2]" 1
827 1 70 LYS H 1 70 LYS HB2 . . 4.140 2.875 2.542 3.773 . 0 0 "[ . 1 . 2]" 1
828 1 70 LYS H 1 70 LYS QB . . 3.440 2.418 2.238 2.751 . 0 0 "[ . 1 . 2]" 1
829 1 70 LYS H 1 70 LYS HB3 . . 4.140 2.638 2.382 3.057 . 0 0 "[ . 1 . 2]" 1
830 1 70 LYS H 1 70 LYS QG . . 4.460 3.797 1.851 4.251 . 0 0 "[ . 1 . 2]" 1
831 1 70 LYS HA 1 70 LYS QG . . 3.990 2.663 2.246 3.453 . 0 0 "[ . 1 . 2]" 1
832 1 70 LYS HA 1 71 ILE H . . 3.150 2.140 2.086 2.272 . 0 0 "[ . 1 . 2]" 1
833 1 70 LYS QB 1 71 ILE H . . 4.380 3.768 3.174 4.012 . 0 0 "[ . 1 . 2]" 1
834 1 70 LYS QE 1 71 ILE H . . 4.850 4.806 4.275 5.006 0.156 16 0 "[ . 1 . 2]" 1
835 1 70 LYS QG 1 71 ILE H . . 4.480 3.334 2.818 4.369 . 0 0 "[ . 1 . 2]" 1
836 1 70 LYS QG 1 71 ILE HA . . 4.660 4.034 3.515 4.688 0.028 15 0 "[ . 1 . 2]" 1
837 1 71 ILE H 1 71 ILE HB . . 3.720 2.687 2.415 2.807 . 0 0 "[ . 1 . 2]" 1
838 1 71 ILE H 1 71 ILE MD . . 4.440 3.963 2.413 4.391 . 0 0 "[ . 1 . 2]" 1
839 1 71 ILE H 1 71 ILE QG . . 4.330 2.947 2.449 3.683 . 0 0 "[ . 1 . 2]" 1
840 1 71 ILE H 1 71 ILE MG . . 4.480 3.860 3.719 3.901 . 0 0 "[ . 1 . 2]" 1
841 1 71 ILE H 1 74 LYS H . . 3.690 3.291 2.860 3.697 0.007 18 0 "[ . 1 . 2]" 1
842 1 71 ILE H 1 76 VAL MG1 . . 3.550 2.930 2.255 3.571 0.021 19 0 "[ . 1 . 2]" 1
843 1 71 ILE HA 1 71 ILE MD . . 4.100 3.748 2.916 3.857 . 0 0 "[ . 1 . 2]" 1
844 1 71 ILE HA 1 71 ILE HG12 . . 4.070 2.638 2.416 3.616 . 0 0 "[ . 1 . 2]" 1
845 1 71 ILE HA 1 71 ILE QG . . 3.460 2.400 2.281 2.452 . 0 0 "[ . 1 . 2]" 1
846 1 71 ILE HA 1 71 ILE HG13 . . 4.070 2.963 2.307 3.073 . 0 0 "[ . 1 . 2]" 1
847 1 71 ILE HA 1 71 ILE MG . . 3.410 2.423 2.374 2.555 . 0 0 "[ . 1 . 2]" 1
848 1 71 ILE HA 1 72 MET H . . 3.470 2.126 2.101 2.163 . 0 0 "[ . 1 . 2]" 1
849 1 71 ILE HB 1 71 ILE MD . . 3.320 2.425 2.338 2.488 . 0 0 "[ . 1 . 2]" 1
850 1 71 ILE HB 1 76 VAL MG2 . . 5.240 4.181 3.413 4.900 . 0 0 "[ . 1 . 2]" 1
851 1 71 ILE MD 1 76 VAL HB . . 4.380 3.850 3.142 4.329 . 0 0 "[ . 1 . 2]" 1
852 1 71 ILE MG 1 72 MET H . . 4.090 2.825 2.506 3.081 . 0 0 "[ . 1 . 2]" 1
853 1 71 ILE MG 1 72 MET HA . . 4.700 3.962 3.662 4.181 . 0 0 "[ . 1 . 2]" 1
854 1 71 ILE MG 1 72 MET QB . . 4.210 2.899 2.513 3.161 . 0 0 "[ . 1 . 2]" 1
855 1 71 ILE MG 1 72 MET QG . . 3.340 2.037 1.617 3.361 0.021 14 0 "[ . 1 . 2]" 1
856 1 72 MET H 1 72 MET QG . . 4.150 3.057 2.916 3.817 . 0 0 "[ . 1 . 2]" 1
857 1 72 MET H 1 73 GLY H . . 4.590 3.279 2.583 4.043 . 0 0 "[ . 1 . 2]" 1
858 1 72 MET HA 1 72 MET QG . . 3.730 2.903 2.512 3.003 . 0 0 "[ . 1 . 2]" 1
859 1 72 MET HB2 1 73 GLY H . . 4.780 3.085 1.949 4.309 . 0 0 "[ . 1 . 2]" 1
860 1 72 MET HB3 1 73 GLY H . . 4.780 3.662 2.643 4.466 . 0 0 "[ . 1 . 2]" 1
861 1 73 GLY H 1 74 LYS H . . 4.190 2.281 1.690 3.055 . 0 0 "[ . 1 . 2]" 1
862 1 74 LYS H 1 74 LYS QB . . 3.610 2.600 2.308 3.197 . 0 0 "[ . 1 . 2]" 1
863 1 74 LYS H 1 75 GLU H . . 4.860 4.404 4.227 4.532 . 0 0 "[ . 1 . 2]" 1
864 1 74 LYS HA 1 74 LYS QG . . 3.970 2.749 2.327 3.329 . 0 0 "[ . 1 . 2]" 1
865 1 74 LYS HA 1 75 GLU H . . 3.170 2.266 2.142 2.431 . 0 0 "[ . 1 . 2]" 1
866 1 74 LYS HA 1 75 GLU HA . . 4.370 4.367 4.311 4.398 0.028 4 0 "[ . 1 . 2]" 1
867 1 74 LYS HA 1 75 GLU QB . . 5.340 4.347 3.865 4.798 . 0 0 "[ . 1 . 2]" 1
868 1 74 LYS QG 1 75 GLU H . . 4.100 3.463 2.465 4.237 0.137 18 0 "[ . 1 . 2]" 1
869 1 75 GLU H 1 75 GLU HB2 . . 3.600 2.717 2.299 3.412 . 0 0 "[ . 1 . 2]" 1
870 1 75 GLU H 1 75 GLU QB . . 3.100 2.458 2.223 3.031 . 0 0 "[ . 1 . 2]" 1
871 1 75 GLU H 1 75 GLU HB3 . . 3.600 3.088 2.348 3.666 0.066 1 0 "[ . 1 . 2]" 1
872 1 75 GLU H 1 75 GLU QG . . 4.400 3.109 1.954 4.035 . 0 0 "[ . 1 . 2]" 1
873 1 75 GLU H 1 76 VAL H . . 4.790 4.347 4.143 4.547 . 0 0 "[ . 1 . 2]" 1
874 1 75 GLU H 1 76 VAL MG1 . . 4.980 4.833 4.510 5.051 0.071 10 0 "[ . 1 . 2]" 1
875 1 75 GLU HA 1 75 GLU QG . . 3.770 2.653 2.320 3.270 . 0 0 "[ . 1 . 2]" 1
876 1 75 GLU HA 1 76 VAL H . . 3.010 2.153 2.095 2.212 . 0 0 "[ . 1 . 2]" 1
877 1 75 GLU HA 1 76 VAL MG1 . . 4.610 3.662 3.460 3.904 . 0 0 "[ . 1 . 2]" 1
878 1 75 GLU HA 1 76 VAL MG2 . . 3.890 3.860 3.582 3.975 0.085 3 0 "[ . 1 . 2]" 1
879 1 75 GLU QB 1 76 VAL H . . 3.920 3.626 3.271 3.932 0.012 15 0 "[ . 1 . 2]" 1
880 1 75 GLU QG 1 76 VAL H . . 4.840 3.921 2.474 4.894 0.054 3 0 "[ . 1 . 2]" 1
881 1 76 VAL H 1 76 VAL HB . . 3.940 3.653 3.601 3.703 . 0 0 "[ . 1 . 2]" 1
882 1 76 VAL H 1 76 VAL MG1 . . 3.760 2.224 2.069 2.502 . 0 0 "[ . 1 . 2]" 1
883 1 76 VAL H 1 76 VAL MG2 . . 3.320 2.096 1.905 2.229 . 0 0 "[ . 1 . 2]" 1
884 1 76 VAL H 1 77 LYS H . . 4.660 4.563 4.343 4.608 . 0 0 "[ . 1 . 2]" 1
885 1 76 VAL HA 1 76 VAL MG1 . . 3.550 2.404 2.338 2.483 . 0 0 "[ . 1 . 2]" 1
886 1 76 VAL HA 1 76 VAL MG2 . . 3.470 3.193 3.181 3.205 . 0 0 "[ . 1 . 2]" 1
887 1 76 VAL HA 1 77 LYS H . . 3.160 2.269 2.140 2.415 . 0 0 "[ . 1 . 2]" 1
888 1 76 VAL HB 1 77 LYS H . . 3.760 2.774 2.230 3.666 . 0 0 "[ . 1 . 2]" 1
889 1 76 VAL MG2 1 77 LYS H . . 4.260 3.522 3.114 4.099 . 0 0 "[ . 1 . 2]" 1
890 1 76 VAL MG2 1 77 LYS HA . . 4.630 3.570 3.302 4.016 . 0 0 "[ . 1 . 2]" 1
891 1 76 VAL MG2 1 77 LYS QG . . 4.260 4.404 4.272 4.607 0.347 10 0 "[ . 1 . 2]" 1
892 1 77 LYS H 1 77 LYS HB2 . . 3.630 2.674 2.463 2.789 . 0 0 "[ . 1 . 2]" 1
893 1 77 LYS H 1 78 VAL MG2 . . 4.650 3.887 3.552 4.073 . 0 0 "[ . 1 . 2]" 1
894 1 77 LYS HA 1 77 LYS QD . . 4.200 3.580 2.096 4.180 . 0 0 "[ . 1 . 2]" 1
895 1 77 LYS HA 1 78 VAL H . . 3.160 2.120 2.084 2.172 . 0 0 "[ . 1 . 2]" 1
896 1 77 LYS HA 1 78 VAL MG2 . . 5.180 3.487 3.261 3.733 . 0 0 "[ . 1 . 2]" 1
897 1 77 LYS HB2 1 78 VAL H . . 4.720 4.232 4.031 4.400 . 0 0 "[ . 1 . 2]" 1
898 1 77 LYS HB3 1 78 VAL H . . 3.600 3.393 3.026 3.630 0.030 11 0 "[ . 1 . 2]" 1
899 1 77 LYS QD 1 78 VAL H . . 5.220 4.927 3.656 5.450 0.230 13 0 "[ . 1 . 2]" 1
900 1 78 VAL H 1 78 VAL HB . . 3.610 2.719 2.611 2.842 . 0 0 "[ . 1 . 2]" 1
901 1 78 VAL H 1 78 VAL MG2 . . 3.630 2.552 2.316 2.817 . 0 0 "[ . 1 . 2]" 1
902 1 78 VAL HA 1 78 VAL MG1 . . 3.530 2.338 2.282 2.380 . 0 0 "[ . 1 . 2]" 1
903 1 78 VAL HA 1 78 VAL MG2 . . 3.530 2.466 2.413 2.523 . 0 0 "[ . 1 . 2]" 1
904 1 78 VAL HA 1 79 ASN H . . 3.240 2.136 2.104 2.175 . 0 0 "[ . 1 . 2]" 1
905 1 78 VAL HB 1 79 ASN H . . 4.640 4.267 4.081 4.384 . 0 0 "[ . 1 . 2]" 1
906 1 78 VAL MG1 1 79 ASN H . . 3.670 3.027 2.655 3.279 . 0 0 "[ . 1 . 2]" 1
907 1 78 VAL MG2 1 79 ASN H . . 4.760 4.212 4.128 4.286 . 0 0 "[ . 1 . 2]" 1
908 1 79 ASN H 1 79 ASN QB . . 3.570 2.647 2.436 3.039 . 0 0 "[ . 1 . 2]" 1
909 1 79 ASN HA 1 80 TRP H . . 3.340 2.419 2.259 2.640 . 0 0 "[ . 1 . 2]" 1
910 1 79 ASN QB 1 80 TRP H . . 3.410 2.681 2.007 3.430 0.020 17 0 "[ . 1 . 2]" 1
911 1 79 ASN HB2 1 80 TRP H . . 3.900 3.450 2.212 3.947 0.047 15 0 "[ . 1 . 2]" 1
912 1 79 ASN HB3 1 80 TRP H . . 3.900 3.067 2.025 3.928 0.028 10 0 "[ . 1 . 2]" 1
913 1 80 TRP H 1 80 TRP HB2 . . 3.910 2.793 2.314 3.638 . 0 0 "[ . 1 . 2]" 1
914 1 80 TRP H 1 80 TRP QB . . 3.400 2.556 2.287 3.063 . 0 0 "[ . 1 . 2]" 1
915 1 80 TRP H 1 80 TRP HB3 . . 3.910 3.438 2.911 3.629 . 0 0 "[ . 1 . 2]" 1
916 1 80 TRP H 1 80 TRP HD1 . . 3.530 2.788 1.703 3.587 0.057 15 0 "[ . 1 . 2]" 1
917 1 80 TRP HA 1 80 TRP HD1 . . 4.570 3.841 2.168 4.477 . 0 0 "[ . 1 . 2]" 1
918 1 80 TRP HA 1 81 ALA H . . 3.320 2.144 2.109 2.176 . 0 0 "[ . 1 . 2]" 1
919 1 80 TRP HA 1 81 ALA MB . . 4.990 4.028 3.949 4.089 . 0 0 "[ . 1 . 2]" 1
920 1 80 TRP QB 1 80 TRP HD1 . . 3.190 2.709 2.511 3.139 . 0 0 "[ . 1 . 2]" 1
921 1 80 TRP QB 1 81 ALA H . . 3.880 3.414 3.040 3.602 . 0 0 "[ . 1 . 2]" 1
922 1 80 TRP HB2 1 80 TRP HD1 . . 3.830 3.226 2.556 3.881 0.051 14 0 "[ . 1 . 2]" 1
923 1 80 TRP HB2 1 81 ALA H . . 4.450 4.132 3.172 4.465 0.015 18 0 "[ . 1 . 2]" 1
924 1 80 TRP HB3 1 80 TRP HD1 . . 3.830 3.357 2.676 3.798 . 0 0 "[ . 1 . 2]" 1
925 1 80 TRP HB3 1 81 ALA H . . 4.450 3.752 3.353 4.310 . 0 0 "[ . 1 . 2]" 1
926 1 81 ALA H 1 81 ALA MB . . 3.330 2.297 2.241 2.344 . 0 0 "[ . 1 . 2]" 1
927 1 81 ALA HA 1 82 THR H . . 3.410 2.175 2.103 2.231 . 0 0 "[ . 1 . 2]" 1
928 1 81 ALA MB 1 82 THR H . . 3.910 3.469 3.281 3.570 . 0 0 "[ . 1 . 2]" 1
929 1 82 THR H 1 82 THR MG . . 4.460 3.095 2.587 3.846 . 0 0 "[ . 1 . 2]" 1
930 1 82 THR HA 1 82 THR MG . . 3.600 2.229 2.137 2.309 . 0 0 "[ . 1 . 2]" 1
931 1 82 THR HA 1 83 THR H . . 3.380 2.367 2.119 2.924 . 0 0 "[ . 1 . 2]" 1
932 1 82 THR HB 1 83 THR H . . 3.800 2.906 1.571 4.007 0.207 19 0 "[ . 1 . 2]" 1
933 1 82 THR HB 1 83 THR HA . . 4.260 4.327 4.123 4.496 0.236 1 0 "[ . 1 . 2]" 1
934 1 82 THR MG 1 83 THR H . . 4.470 3.172 2.103 3.821 . 0 0 "[ . 1 . 2]" 1
935 1 83 THR HA 1 84 PRO HD2 . . 3.430 2.498 1.818 2.784 . 0 0 "[ . 1 . 2]" 1
936 1 83 THR HA 1 84 PRO QD . . 3.000 1.852 1.745 2.047 . 0 0 "[ . 1 . 2]" 1
937 1 83 THR HA 1 84 PRO HD3 . . 3.430 1.976 1.766 2.686 . 0 0 "[ . 1 . 2]" 1
938 1 83 THR HB 1 84 PRO HD2 . . 5.280 4.360 2.508 4.990 . 0 0 "[ . 1 . 2]" 1
939 1 83 THR HB 1 84 PRO QD . . 4.590 3.883 2.481 4.298 . 0 0 "[ . 1 . 2]" 1
940 1 83 THR HB 1 84 PRO HD3 . . 5.280 4.445 3.894 5.278 . 0 0 "[ . 1 . 2]" 1
941 1 83 THR MG 1 84 PRO QD . . 4.160 3.237 2.669 4.168 0.008 15 0 "[ . 1 . 2]" 1
942 1 87 GLN H 1 87 GLN QG . . 4.360 2.940 1.745 4.289 . 0 0 "[ . 1 . 2]" 1
943 1 87 GLN QG 1 88 LYS H . . 4.800 3.866 1.350 4.721 . 0 0 "[ . 1 . 2]" 1
944 1 88 LYS HB2 1 89 LYS H . . 4.620 3.909 1.924 4.615 . 0 0 "[ . 1 . 2]" 1
945 1 88 LYS HB3 1 89 LYS H . . 4.620 3.865 2.398 4.621 0.001 10 0 "[ . 1 . 2]" 1
946 1 89 LYS HB2 1 90 ASP H . . 5.020 3.967 2.273 4.507 . 0 0 "[ . 1 . 2]" 1
947 1 89 LYS HB3 1 90 ASP H . . 5.020 3.973 2.315 4.472 . 0 0 "[ . 1 . 2]" 1
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