NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
521902 |
2lju   |
17962 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lju
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 669
_Distance_constraint_stats_list.Viol_count 402
_Distance_constraint_stats_list.Viol_total 117.573
_Distance_constraint_stats_list.Viol_max 0.224
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0146
_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 7 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.058 0.047 16 0 "[ . 1 . 2]"
1 13 ARG 0.014 0.012 5 0 "[ . 1 . 2]"
1 14 ALA 0.415 0.071 16 0 "[ . 1 . 2]"
1 15 ARG 0.366 0.073 2 0 "[ . 1 . 2]"
1 16 ILE 0.314 0.031 16 0 "[ . 1 . 2]"
1 17 TYR 0.196 0.040 4 0 "[ . 1 . 2]"
1 18 LYS 0.178 0.040 4 0 "[ . 1 . 2]"
1 19 PRO 0.038 0.038 4 0 "[ . 1 . 2]"
1 20 ALA 0.038 0.038 4 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.032 0.032 14 0 "[ . 1 . 2]"
1 31 LEU 0.319 0.110 10 0 "[ . 1 . 2]"
1 32 LYS 0.023 0.007 4 0 "[ . 1 . 2]"
1 33 ALA 0.030 0.012 10 0 "[ . 1 . 2]"
1 34 TRP 0.081 0.039 10 0 "[ . 1 . 2]"
1 35 LYS 0.090 0.022 20 0 "[ . 1 . 2]"
1 36 LEU 0.515 0.100 16 0 "[ . 1 . 2]"
1 37 GLU 0.171 0.073 2 0 "[ . 1 . 2]"
1 38 PHE 0.471 0.100 16 0 "[ . 1 . 2]"
1 39 GLU 0.106 0.047 16 0 "[ . 1 . 2]"
1 40 PRO 0.050 0.050 3 0 "[ . 1 . 2]"
1 41 SER 0.050 0.050 3 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.146 0.053 11 0 "[ . 1 . 2]"
1 47 GLU 0.146 0.053 11 0 "[ . 1 . 2]"
1 49 LEU 0.073 0.072 6 0 "[ . 1 . 2]"
1 50 MET 0.001 0.001 9 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLN 0.680 0.224 10 0 "[ . 1 . 2]"
1 62 VAL 0.162 0.112 11 0 "[ . 1 . 2]"
1 63 CYS 0.160 0.112 11 0 "[ . 1 . 2]"
1 64 LEU 0.208 0.025 16 0 "[ . 1 . 2]"
1 65 SER 0.038 0.017 3 0 "[ . 1 . 2]"
1 66 PHE 0.217 0.114 3 0 "[ . 1 . 2]"
1 67 THR 0.018 0.006 10 0 "[ . 1 . 2]"
1 68 THR 0.065 0.022 3 0 "[ . 1 . 2]"
1 69 ARG 0.399 0.097 7 0 "[ . 1 . 2]"
1 70 GLU 0.507 0.097 7 0 "[ . 1 . 2]"
1 71 LEU 0.500 0.114 3 0 "[ . 1 . 2]"
1 72 ALA 0.040 0.018 3 0 "[ . 1 . 2]"
1 73 ILE 0.542 0.056 10 0 "[ . 1 . 2]"
1 74 ALA 0.312 0.056 10 0 "[ . 1 . 2]"
1 75 TYR 0.051 0.015 8 0 "[ . 1 . 2]"
1 76 ALA 0.123 0.020 8 0 "[ . 1 . 2]"
1 77 VAL 0.077 0.015 16 0 "[ . 1 . 2]"
1 78 ALA 0.043 0.015 16 0 "[ . 1 . 2]"
1 79 HIS 0.001 0.001 8 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ILE 0.211 0.055 16 0 "[ . 1 . 2]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 TYR 0.177 0.071 16 0 "[ . 1 . 2]"
1 84 THR 0.132 0.031 16 0 "[ . 1 . 2]"
1 85 VAL 0.081 0.018 2 0 "[ . 1 . 2]"
1 86 LEU 0.216 0.058 4 0 "[ . 1 . 2]"
1 87 GLN 0.155 0.084 2 0 "[ . 1 . 2]"
1 88 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 0.545 0.194 4 0 "[ . 1 . 2]"
1 94 VAL 0.545 0.194 4 0 "[ . 1 . 2]"
1 98 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 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 7 GLU HA 1 8 GLN H . . 2.740 2.268 2.140 2.587 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLN HA 1 9 VAL H . . 2.750 2.252 2.139 2.570 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLN QB 1 9 VAL H . . 3.850 3.171 2.067 3.843 . 0 0 "[ . 1 . 2]" 1
4 1 9 VAL H 1 9 VAL HB . . 3.850 3.318 2.667 3.846 . 0 0 "[ . 1 . 2]" 1
5 1 9 VAL H 1 9 VAL MG1 . . 4.070 3.129 2.005 3.969 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL H 1 9 VAL QG . . 3.050 2.391 1.999 2.838 . 0 0 "[ . 1 . 2]" 1
7 1 9 VAL H 1 9 VAL MG2 . . 4.070 2.928 2.066 4.051 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL H 1 10 SER H . . 4.400 3.934 2.284 4.399 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL HA 1 9 VAL MG1 . . 3.400 2.540 2.160 3.200 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL HA 1 9 VAL MG2 . . 3.400 2.636 2.243 3.195 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL HA 1 10 SER H . . 3.120 2.363 2.145 2.978 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL HB 1 10 SER H . . 4.510 3.977 1.977 4.445 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL QG 1 10 SER H . . 3.860 2.682 1.936 3.713 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL QG 1 10 SER QB . . 4.300 3.983 3.255 4.290 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL MG1 1 10 SER H . . 4.700 3.434 2.070 4.373 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL MG2 1 10 SER H . . 4.700 3.355 1.942 4.216 . 0 0 "[ . 1 . 2]" 1
17 1 10 SER H 1 10 SER QB . . 3.430 2.541 2.196 2.949 . 0 0 "[ . 1 . 2]" 1
18 1 11 ASN QB 1 11 ASN QD . . 3.090 2.168 2.065 2.447 . 0 0 "[ . 1 . 2]" 1
19 1 11 ASN QB 1 12 VAL H . . 3.610 2.574 1.957 3.520 . 0 0 "[ . 1 . 2]" 1
20 1 11 ASN HB2 1 12 VAL H . . 4.110 3.404 2.073 4.086 . 0 0 "[ . 1 . 2]" 1
21 1 11 ASN HB3 1 12 VAL H . . 4.110 2.946 1.975 4.104 . 0 0 "[ . 1 . 2]" 1
22 1 12 VAL H 1 12 VAL HB . . 3.800 3.673 3.600 3.783 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL H 1 12 VAL MG2 . . 3.040 2.094 1.922 2.292 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL HA 1 12 VAL MG2 . . 3.380 3.193 3.177 3.202 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL HA 1 13 ARG H . . 2.900 2.544 2.356 2.638 . 0 0 "[ . 1 . 2]" 1
26 1 12 VAL HB 1 13 ARG H . . 3.830 2.103 1.943 2.514 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL HB 1 39 GLU H . . 3.770 3.336 2.919 3.817 0.047 16 0 "[ . 1 . 2]" 1
28 1 12 VAL MG2 1 13 ARG H . . 3.500 3.187 2.913 3.379 . 0 0 "[ . 1 . 2]" 1
29 1 12 VAL MG2 1 38 PHE QB . . 4.580 3.464 2.386 4.589 0.009 16 0 "[ . 1 . 2]" 1
30 1 12 VAL MG2 1 38 PHE QD . . 4.230 3.830 2.654 4.229 . 0 0 "[ . 1 . 2]" 1
31 1 13 ARG H 1 13 ARG HB2 . . 3.980 3.096 2.568 3.908 . 0 0 "[ . 1 . 2]" 1
32 1 13 ARG H 1 13 ARG HB3 . . 3.980 3.616 2.780 3.899 . 0 0 "[ . 1 . 2]" 1
33 1 13 ARG H 1 13 ARG QD . . 4.310 3.853 1.943 4.322 0.012 5 0 "[ . 1 . 2]" 1
34 1 13 ARG H 1 39 GLU H . . 3.960 2.842 2.494 3.458 . 0 0 "[ . 1 . 2]" 1
35 1 13 ARG H 1 81 ILE MD . . 5.500 5.143 4.729 5.500 . 15 0 "[ . 1 . 2]" 1
36 1 13 ARG HA 1 14 ALA H . . 3.140 2.268 2.193 2.352 . 0 0 "[ . 1 . 2]" 1
37 1 13 ARG HA 1 81 ILE MG . . 4.000 2.103 1.927 2.440 . 0 0 "[ . 1 . 2]" 1
38 1 13 ARG QB 1 13 ARG QD . . 3.280 2.171 2.013 2.417 . 0 0 "[ . 1 . 2]" 1
39 1 13 ARG QB 1 14 ALA H . . 3.840 2.782 2.510 3.544 . 0 0 "[ . 1 . 2]" 1
40 1 14 ALA H 1 14 ALA MB . . 3.490 2.253 2.207 2.373 . 0 0 "[ . 1 . 2]" 1
41 1 14 ALA H 1 15 ARG H . . 4.550 4.427 4.362 4.503 . 0 0 "[ . 1 . 2]" 1
42 1 14 ALA H 1 81 ILE HB . . 4.630 4.547 4.379 4.652 0.022 16 0 "[ . 1 . 2]" 1
43 1 14 ALA H 1 81 ILE MD . . 5.500 4.936 4.749 5.283 . 0 0 "[ . 1 . 2]" 1
44 1 14 ALA H 1 81 ILE MG . . 3.690 2.356 2.200 2.574 . 0 0 "[ . 1 . 2]" 1
45 1 14 ALA H 1 82 ASP H . . 4.370 4.151 3.989 4.301 . 0 0 "[ . 1 . 2]" 1
46 1 14 ALA H 1 82 ASP QB . . 4.060 3.884 3.674 4.057 . 0 0 "[ . 1 . 2]" 1
47 1 14 ALA H 1 83 TYR H . . 4.790 4.519 4.168 4.694 . 0 0 "[ . 1 . 2]" 1
48 1 14 ALA H 1 83 TYR HA . . 3.820 2.758 2.291 3.016 . 0 0 "[ . 1 . 2]" 1
49 1 14 ALA H 1 84 THR H . . 4.450 4.249 3.965 4.359 . 0 0 "[ . 1 . 2]" 1
50 1 14 ALA HA 1 15 ARG H . . 3.180 2.169 2.141 2.334 . 0 0 "[ . 1 . 2]" 1
51 1 14 ALA HA 1 36 LEU MD1 . . 4.600 3.744 3.147 4.553 . 0 0 "[ . 1 . 2]" 1
52 1 14 ALA HA 1 39 GLU H . . 3.870 3.657 3.021 3.818 . 0 0 "[ . 1 . 2]" 1
53 1 14 ALA MB 1 15 ARG H . . 3.460 3.123 2.680 3.276 . 0 0 "[ . 1 . 2]" 1
54 1 14 ALA MB 1 16 ILE H . . 4.300 4.221 4.124 4.298 . 0 0 "[ . 1 . 2]" 1
55 1 14 ALA MB 1 16 ILE HB . . 5.160 5.071 4.933 5.189 0.029 2 0 "[ . 1 . 2]" 1
56 1 14 ALA MB 1 36 LEU MD1 . . 3.410 3.145 2.824 3.412 0.002 8 0 "[ . 1 . 2]" 1
57 1 14 ALA MB 1 37 GLU H . . 4.650 4.473 3.988 4.651 0.001 17 0 "[ . 1 . 2]" 1
58 1 14 ALA MB 1 38 PHE H . . 5.500 4.977 4.499 5.252 . 0 0 "[ . 1 . 2]" 1
59 1 14 ALA MB 1 38 PHE HA . . 4.040 3.580 2.816 3.808 . 0 0 "[ . 1 . 2]" 1
60 1 14 ALA MB 1 38 PHE HB2 . . 4.390 4.130 3.161 4.452 0.062 16 0 "[ . 1 . 2]" 1
61 1 14 ALA MB 1 38 PHE HB3 . . 4.390 3.528 2.562 4.450 0.060 16 0 "[ . 1 . 2]" 1
62 1 14 ALA MB 1 38 PHE QD . . 4.990 4.685 2.802 4.993 0.003 7 0 "[ . 1 . 2]" 1
63 1 14 ALA MB 1 39 GLU H . . 5.040 4.846 4.064 5.044 0.004 20 0 "[ . 1 . 2]" 1
64 1 14 ALA MB 1 76 ALA MB . . 3.540 2.084 1.893 2.548 . 0 0 "[ . 1 . 2]" 1
65 1 14 ALA MB 1 81 ILE MG . . 2.940 2.280 2.077 2.393 . 0 0 "[ . 1 . 2]" 1
66 1 14 ALA MB 1 82 ASP H . . 5.500 4.827 4.583 5.081 . 0 0 "[ . 1 . 2]" 1
67 1 14 ALA MB 1 83 TYR H . . 4.190 4.120 3.976 4.261 0.071 16 0 "[ . 1 . 2]" 1
68 1 14 ALA MB 1 83 TYR HA . . 4.230 2.424 2.197 2.697 . 0 0 "[ . 1 . 2]" 1
69 1 14 ALA MB 1 83 TYR HB2 . . 4.460 2.837 2.552 3.154 . 0 0 "[ . 1 . 2]" 1
70 1 14 ALA MB 1 83 TYR HB3 . . 4.290 2.471 2.270 2.719 . 0 0 "[ . 1 . 2]" 1
71 1 14 ALA MB 1 84 THR H . . 4.090 3.584 3.395 3.737 . 0 0 "[ . 1 . 2]" 1
72 1 15 ARG H 1 15 ARG QB . . 3.690 2.428 2.259 2.587 . 0 0 "[ . 1 . 2]" 1
73 1 15 ARG H 1 36 LEU HG . . 5.500 5.448 5.266 5.517 0.017 8 0 "[ . 1 . 2]" 1
74 1 15 ARG H 1 37 GLU H . . 3.830 2.788 2.513 3.001 . 0 0 "[ . 1 . 2]" 1
75 1 15 ARG H 1 37 GLU QB . . 4.060 3.735 3.287 4.133 0.073 2 0 "[ . 1 . 2]" 1
76 1 15 ARG H 1 38 PHE H . . 4.730 4.363 4.229 4.528 . 0 0 "[ . 1 . 2]" 1
77 1 15 ARG H 1 38 PHE HA . . 4.060 3.014 2.741 3.308 . 0 0 "[ . 1 . 2]" 1
78 1 15 ARG H 1 38 PHE QB . . 5.340 4.321 4.020 5.109 . 0 0 "[ . 1 . 2]" 1
79 1 15 ARG H 1 39 GLU H . . 5.200 4.613 4.309 4.944 . 0 0 "[ . 1 . 2]" 1
80 1 15 ARG H 1 81 ILE MG . . 5.500 5.495 5.402 5.555 0.055 16 0 "[ . 1 . 2]" 1
81 1 15 ARG H 1 84 THR MG . . 4.560 4.278 4.183 4.422 . 0 0 "[ . 1 . 2]" 1
82 1 15 ARG HA 1 16 ILE H . . 3.210 2.174 2.166 2.177 . 0 0 "[ . 1 . 2]" 1
83 1 15 ARG HA 1 37 GLU H . . 4.690 4.442 4.327 4.600 . 0 0 "[ . 1 . 2]" 1
84 1 15 ARG HA 1 84 THR H . . 3.830 3.078 2.779 3.250 . 0 0 "[ . 1 . 2]" 1
85 1 15 ARG HA 1 84 THR MG . . 4.150 1.962 1.889 2.073 . 0 0 "[ . 1 . 2]" 1
86 1 15 ARG QB 1 37 GLU H . . 4.110 2.870 2.679 3.240 . 0 0 "[ . 1 . 2]" 1
87 1 16 ILE H 1 16 ILE HB . . 3.350 2.544 2.500 2.596 . 0 0 "[ . 1 . 2]" 1
88 1 16 ILE H 1 16 ILE MD . . 4.350 3.608 3.424 3.806 . 0 0 "[ . 1 . 2]" 1
89 1 16 ILE H 1 16 ILE HG13 . . 4.130 2.532 2.485 2.617 . 0 0 "[ . 1 . 2]" 1
90 1 16 ILE H 1 84 THR H . . 4.610 2.921 2.849 3.008 . 0 0 "[ . 1 . 2]" 1
91 1 16 ILE H 1 84 THR MG . . 4.440 2.408 2.152 2.588 . 0 0 "[ . 1 . 2]" 1
92 1 16 ILE H 1 85 VAL HA . . 3.920 3.766 3.470 3.906 . 0 0 "[ . 1 . 2]" 1
93 1 16 ILE HA 1 16 ILE MD . . 4.280 3.878 3.832 3.886 . 0 0 "[ . 1 . 2]" 1
94 1 16 ILE HA 1 16 ILE MG . . 3.720 2.332 2.259 2.406 . 0 0 "[ . 1 . 2]" 1
95 1 16 ILE HA 1 17 TYR H . . 3.150 2.174 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
96 1 16 ILE HA 1 37 GLU H . . 4.260 3.699 3.552 3.914 . 0 0 "[ . 1 . 2]" 1
97 1 16 ILE HB 1 16 ILE MD . . 3.430 2.304 2.263 2.385 . 0 0 "[ . 1 . 2]" 1
98 1 16 ILE HB 1 17 TYR H . . 4.250 4.097 3.977 4.273 0.023 10 0 "[ . 1 . 2]" 1
99 1 16 ILE HB 1 73 ILE MD . . 4.720 4.717 4.601 4.741 0.021 10 0 "[ . 1 . 2]" 1
100 1 16 ILE HB 1 84 THR H . . 4.350 4.154 3.973 4.381 0.031 16 0 "[ . 1 . 2]" 1
101 1 16 ILE HB 1 84 THR MG . . 4.230 4.122 3.948 4.239 0.009 4 0 "[ . 1 . 2]" 1
102 1 16 ILE HB 1 85 VAL H . . 4.620 4.305 3.951 4.625 0.005 10 0 "[ . 1 . 2]" 1
103 1 16 ILE HB 1 85 VAL HA . . 4.260 2.225 1.992 2.610 . 0 0 "[ . 1 . 2]" 1
104 1 16 ILE HB 1 85 VAL QG . . 3.240 2.691 1.973 3.120 . 0 0 "[ . 1 . 2]" 1
105 1 16 ILE HB 1 86 LEU H . . 4.430 3.603 3.214 3.989 . 0 0 "[ . 1 . 2]" 1
106 1 16 ILE MD 1 16 ILE MG . . 2.850 2.086 1.943 2.250 . 0 0 "[ . 1 . 2]" 1
107 1 16 ILE MD 1 17 TYR H . . 5.410 5.111 5.006 5.324 . 0 0 "[ . 1 . 2]" 1
108 1 16 ILE MD 1 72 ALA H . . 5.090 4.658 4.326 4.934 . 0 0 "[ . 1 . 2]" 1
109 1 16 ILE MD 1 72 ALA HA . . 4.510 4.229 3.743 4.514 0.004 13 0 "[ . 1 . 2]" 1
110 1 16 ILE MD 1 72 ALA MB . . 3.470 2.081 1.882 2.397 . 0 0 "[ . 1 . 2]" 1
111 1 16 ILE MD 1 73 ILE H . . 4.000 3.007 2.856 3.311 . 0 0 "[ . 1 . 2]" 1
112 1 16 ILE MD 1 73 ILE HA . . 3.320 2.655 2.344 2.815 . 0 0 "[ . 1 . 2]" 1
113 1 16 ILE MD 1 73 ILE MD . . 3.220 2.527 2.251 2.829 . 0 0 "[ . 1 . 2]" 1
114 1 16 ILE MD 1 73 ILE HG13 . . 3.540 2.052 1.927 2.343 . 0 0 "[ . 1 . 2]" 1
115 1 16 ILE MD 1 76 ALA MB . . 3.720 3.386 3.092 3.523 . 0 0 "[ . 1 . 2]" 1
116 1 16 ILE MD 1 77 VAL H . . 5.500 5.452 5.237 5.510 0.010 3 0 "[ . 1 . 2]" 1
117 1 16 ILE MD 1 83 TYR H . . 5.330 4.985 4.887 5.126 . 0 0 "[ . 1 . 2]" 1
118 1 16 ILE MD 1 83 TYR HB3 . . 3.820 3.104 2.979 3.227 . 0 0 "[ . 1 . 2]" 1
119 1 16 ILE MD 1 83 TYR QD . . 3.610 2.315 1.942 2.497 . 0 0 "[ . 1 . 2]" 1
120 1 16 ILE MD 1 83 TYR QE . . 4.150 3.954 3.065 4.156 0.006 10 0 "[ . 1 . 2]" 1
121 1 16 ILE MD 1 84 THR H . . 4.590 3.687 3.345 4.395 . 0 0 "[ . 1 . 2]" 1
122 1 16 ILE MD 1 85 VAL HA . . 4.440 3.670 3.325 4.121 . 0 0 "[ . 1 . 2]" 1
123 1 16 ILE MD 1 85 VAL QG . . 3.080 2.504 2.036 2.901 . 0 0 "[ . 1 . 2]" 1
124 1 16 ILE HG12 1 17 TYR H . . 4.590 4.396 4.296 4.595 0.005 10 0 "[ . 1 . 2]" 1
125 1 16 ILE HG13 1 17 TYR H . . 5.190 4.905 4.799 5.032 . 0 0 "[ . 1 . 2]" 1
126 1 16 ILE HG13 1 37 GLU H . . 4.670 4.593 4.378 4.676 0.006 16 0 "[ . 1 . 2]" 1
127 1 16 ILE HG13 1 84 THR H . . 4.450 3.652 3.431 3.884 . 0 0 "[ . 1 . 2]" 1
128 1 16 ILE MG 1 17 TYR H . . 3.500 2.441 2.220 2.789 . 0 0 "[ . 1 . 2]" 1
129 1 16 ILE MG 1 17 TYR HA . . 4.030 3.485 3.331 3.744 . 0 0 "[ . 1 . 2]" 1
130 1 16 ILE MG 1 17 TYR QB . . 4.810 4.285 4.124 4.634 . 0 0 "[ . 1 . 2]" 1
131 1 16 ILE MG 1 34 TRP HB2 . . 5.050 4.463 3.945 4.764 . 0 0 "[ . 1 . 2]" 1
132 1 16 ILE MG 1 34 TRP HB3 . . 4.370 3.120 2.589 3.418 . 0 0 "[ . 1 . 2]" 1
133 1 16 ILE MG 1 34 TRP HE3 . . 3.450 2.108 1.944 2.384 . 0 0 "[ . 1 . 2]" 1
134 1 16 ILE MG 1 34 TRP HZ3 . . 3.720 2.439 1.940 3.081 . 0 0 "[ . 1 . 2]" 1
135 1 16 ILE MG 1 73 ILE MD . . 3.260 3.161 2.992 3.258 . 0 0 "[ . 1 . 2]" 1
136 1 16 ILE MG 1 83 TYR HB2 . . 5.500 4.817 4.627 4.938 . 0 0 "[ . 1 . 2]" 1
137 1 16 ILE MG 1 85 VAL HA . . 4.120 2.891 2.573 3.200 . 0 0 "[ . 1 . 2]" 1
138 1 17 TYR H 1 17 TYR QD . . 4.350 3.758 2.561 4.360 0.010 18 0 "[ . 1 . 2]" 1
139 1 17 TYR H 1 18 LYS H . . 4.530 4.353 4.242 4.469 . 0 0 "[ . 1 . 2]" 1
140 1 17 TYR H 1 34 TRP HZ3 . . 5.170 4.659 4.204 5.147 . 0 0 "[ . 1 . 2]" 1
141 1 17 TYR HA 1 18 LYS H . . 3.240 2.218 2.156 2.279 . 0 0 "[ . 1 . 2]" 1
142 1 17 TYR HA 1 86 LEU H . . 3.780 2.499 2.195 2.911 . 0 0 "[ . 1 . 2]" 1
143 1 17 TYR QB 1 86 LEU QB . . 3.800 2.571 1.867 3.811 0.011 4 0 "[ . 1 . 2]" 1
144 1 17 TYR QB 1 86 LEU QD . . 3.810 2.697 2.002 3.784 . 0 0 "[ . 1 . 2]" 1
145 1 17 TYR HB2 1 18 LYS H . . 4.260 3.668 2.744 4.179 . 0 0 "[ . 1 . 2]" 1
146 1 17 TYR HB3 1 18 LYS H . . 4.260 3.950 2.960 4.250 . 0 0 "[ . 1 . 2]" 1
147 1 17 TYR QD 1 18 LYS H . . 3.920 3.135 2.167 3.960 0.040 4 0 "[ . 1 . 2]" 1
148 1 17 TYR QD 1 86 LEU QD . . 3.900 3.112 1.993 3.839 . 0 0 "[ . 1 . 2]" 1
149 1 18 LYS H 1 18 LYS QB . . 3.370 2.509 2.400 3.029 . 0 0 "[ . 1 . 2]" 1
150 1 18 LYS H 1 34 TRP HZ3 . . 4.390 3.789 3.024 4.393 0.003 16 0 "[ . 1 . 2]" 1
151 1 18 LYS H 1 86 LEU H . . 4.520 3.893 3.413 4.136 . 0 0 "[ . 1 . 2]" 1
152 1 18 LYS H 1 86 LEU HB2 . . 4.930 4.275 3.496 4.948 0.018 20 0 "[ . 1 . 2]" 1
153 1 18 LYS H 1 86 LEU QB . . 4.270 3.389 3.072 3.711 . 0 0 "[ . 1 . 2]" 1
154 1 18 LYS H 1 86 LEU HB3 . . 4.930 3.853 3.108 4.874 . 0 0 "[ . 1 . 2]" 1
155 1 19 PRO HA 1 20 ALA H . . 3.490 2.471 2.167 3.528 0.038 4 0 "[ . 1 . 2]" 1
156 1 19 PRO QB 1 20 ALA H . . 4.050 2.794 2.106 3.696 . 0 0 "[ . 1 . 2]" 1
157 1 20 ALA H 1 20 ALA MB . . 3.280 2.231 2.052 2.426 . 0 0 "[ . 1 . 2]" 1
158 1 20 ALA MB 1 21 LYS H . . 3.940 2.714 2.377 3.331 . 0 0 "[ . 1 . 2]" 1
159 1 29 SER HA 1 30 LYS H . . 3.250 2.577 2.192 2.960 . 0 0 "[ . 1 . 2]" 1
160 1 30 LYS HA 1 31 LEU H . . 3.380 2.526 2.198 3.412 0.032 14 0 "[ . 1 . 2]" 1
161 1 30 LYS QB 1 31 LEU H . . 4.200 3.459 1.934 4.022 . 0 0 "[ . 1 . 2]" 1
162 1 31 LEU H 1 31 LEU QB . . 3.580 2.582 2.190 3.387 . 0 0 "[ . 1 . 2]" 1
163 1 31 LEU H 1 31 LEU MD1 . . 4.940 3.327 1.993 4.187 . 0 0 "[ . 1 . 2]" 1
164 1 31 LEU H 1 31 LEU QD . . 4.170 2.933 1.988 3.746 . 0 0 "[ . 1 . 2]" 1
165 1 31 LEU H 1 31 LEU MD2 . . 4.940 3.858 2.024 4.565 . 0 0 "[ . 1 . 2]" 1
166 1 31 LEU H 1 31 LEU HG . . 4.100 3.158 1.951 4.030 . 0 0 "[ . 1 . 2]" 1
167 1 31 LEU HA 1 31 LEU MD1 . . 4.570 3.519 2.103 3.968 . 0 0 "[ . 1 . 2]" 1
168 1 31 LEU HA 1 31 LEU QD . . 3.150 2.560 2.015 3.260 0.110 10 0 "[ . 1 . 2]" 1
169 1 31 LEU HA 1 31 LEU MD2 . . 4.570 2.902 2.130 4.094 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU HA 1 31 LEU HG . . 4.110 2.967 2.300 3.687 . 0 0 "[ . 1 . 2]" 1
171 1 31 LEU QB 1 32 LYS H . . 4.170 2.810 1.920 3.882 . 0 0 "[ . 1 . 2]" 1
172 1 31 LEU QD 1 32 LYS H . . 4.640 3.723 2.816 4.539 . 0 0 "[ . 1 . 2]" 1
173 1 31 LEU MD1 1 32 LYS H . . 5.500 4.465 2.832 5.492 . 0 0 "[ . 1 . 2]" 1
174 1 31 LEU MD2 1 32 LYS H . . 5.500 4.245 2.922 5.396 . 0 0 "[ . 1 . 2]" 1
175 1 31 LEU HG 1 32 LYS H . . 5.200 4.598 3.853 5.194 . 0 0 "[ . 1 . 2]" 1
176 1 32 LYS H 1 32 LYS QB . . 3.640 2.734 2.164 3.355 . 0 0 "[ . 1 . 2]" 1
177 1 32 LYS H 1 67 THR MG . . 4.670 4.370 3.368 4.673 0.003 13 0 "[ . 1 . 2]" 1
178 1 32 LYS HA 1 33 ALA H . . 3.040 2.195 2.140 2.421 . 0 0 "[ . 1 . 2]" 1
179 1 32 LYS HA 1 33 ALA MB . . 3.970 3.887 3.747 3.977 0.007 4 0 "[ . 1 . 2]" 1
180 1 32 LYS HA 1 67 THR HA . . 3.420 2.433 1.999 3.054 . 0 0 "[ . 1 . 2]" 1
181 1 32 LYS HA 1 67 THR MG . . 3.560 3.358 2.571 3.564 0.004 10 0 "[ . 1 . 2]" 1
182 1 32 LYS QB 1 32 LYS QE . . 3.370 2.788 1.961 3.369 . 0 0 "[ . 1 . 2]" 1
183 1 32 LYS QB 1 33 ALA H . . 3.950 3.182 2.544 3.834 . 0 0 "[ . 1 . 2]" 1
184 1 33 ALA H 1 33 ALA MB . . 2.950 2.465 2.324 2.649 . 0 0 "[ . 1 . 2]" 1
185 1 33 ALA H 1 34 TRP H . . 3.490 1.972 1.901 2.240 . 0 0 "[ . 1 . 2]" 1
186 1 33 ALA H 1 34 TRP HD1 . . 4.620 4.212 3.956 4.586 . 0 0 "[ . 1 . 2]" 1
187 1 33 ALA H 1 67 THR HA . . 3.660 2.398 1.979 3.236 . 0 0 "[ . 1 . 2]" 1
188 1 33 ALA H 1 67 THR MG . . 4.490 3.775 3.288 4.411 . 0 0 "[ . 1 . 2]" 1
189 1 33 ALA MB 1 34 TRP H . . 3.660 2.665 2.434 2.901 . 0 0 "[ . 1 . 2]" 1
190 1 33 ALA MB 1 34 TRP HB2 . . 4.200 4.018 3.862 4.203 0.003 4 0 "[ . 1 . 2]" 1
191 1 33 ALA MB 1 34 TRP HD1 . . 3.780 2.361 2.114 2.994 . 0 0 "[ . 1 . 2]" 1
192 1 33 ALA MB 1 34 TRP HE1 . . 4.080 3.815 3.510 4.092 0.012 10 0 "[ . 1 . 2]" 1
193 1 34 TRP H 1 34 TRP HE1 . . 5.500 5.384 5.216 5.506 0.006 16 0 "[ . 1 . 2]" 1
194 1 34 TRP HA 1 35 LYS H . . 3.210 2.313 2.206 2.428 . 0 0 "[ . 1 . 2]" 1
195 1 34 TRP HB2 1 34 TRP HE1 . . 4.860 4.822 4.773 4.854 . 0 0 "[ . 1 . 2]" 1
196 1 34 TRP HB2 1 35 LYS H . . 4.160 3.950 3.780 4.154 . 0 0 "[ . 1 . 2]" 1
197 1 34 TRP HB3 1 35 LYS H . . 4.200 2.687 2.400 3.022 . 0 0 "[ . 1 . 2]" 1
198 1 34 TRP HD1 1 69 ARG H . . 4.170 3.440 2.966 4.114 . 0 0 "[ . 1 . 2]" 1
199 1 34 TRP HE1 1 68 THR MG . . 4.480 4.281 3.798 4.488 0.008 10 0 "[ . 1 . 2]" 1
200 1 34 TRP HE1 1 69 ARG H . . 4.100 3.272 2.878 3.770 . 0 0 "[ . 1 . 2]" 1
201 1 34 TRP HE1 1 69 ARG QB . . 4.290 3.533 2.988 4.329 0.039 10 0 "[ . 1 . 2]" 1
202 1 34 TRP HE3 1 35 LYS H . . 4.800 3.277 2.905 3.404 . 0 0 "[ . 1 . 2]" 1
203 1 34 TRP HZ3 1 35 LYS H . . 5.500 5.422 5.101 5.502 0.002 7 0 "[ . 1 . 2]" 1
204 1 35 LYS H 1 35 LYS HB2 . . 4.000 2.661 2.319 3.118 . 0 0 "[ . 1 . 2]" 1
205 1 35 LYS H 1 35 LYS QB . . 3.250 2.477 2.288 2.690 . 0 0 "[ . 1 . 2]" 1
206 1 35 LYS H 1 35 LYS HB3 . . 4.000 3.262 2.608 3.812 . 0 0 "[ . 1 . 2]" 1
207 1 35 LYS HA 1 36 LEU H . . 3.250 2.218 2.142 2.296 . 0 0 "[ . 1 . 2]" 1
208 1 35 LYS QB 1 36 LEU H . . 3.720 3.227 2.686 3.720 0.000 8 0 "[ . 1 . 2]" 1
209 1 35 LYS HB2 1 36 LEU H . . 4.230 4.143 3.779 4.252 0.022 20 0 "[ . 1 . 2]" 1
210 1 35 LYS HB3 1 36 LEU H . . 4.230 3.405 2.733 4.174 . 0 0 "[ . 1 . 2]" 1
211 1 36 LEU H 1 36 LEU HB3 . . 3.990 2.747 2.509 2.908 . 0 0 "[ . 1 . 2]" 1
212 1 36 LEU H 1 36 LEU MD1 . . 4.610 3.976 3.741 4.130 . 0 0 "[ . 1 . 2]" 1
213 1 36 LEU H 1 36 LEU HG . . 5.430 5.008 4.777 5.136 . 0 0 "[ . 1 . 2]" 1
214 1 36 LEU H 1 37 GLU H . . 4.980 4.276 4.172 4.466 . 0 0 "[ . 1 . 2]" 1
215 1 36 LEU H 1 64 LEU H . . 3.890 3.694 3.541 3.900 0.010 19 0 "[ . 1 . 2]" 1
216 1 36 LEU H 1 64 LEU QD . . 5.440 4.414 3.106 4.930 . 0 0 "[ . 1 . 2]" 1
217 1 36 LEU H 1 65 SER HA . . 4.360 2.821 2.384 3.446 . 0 0 "[ . 1 . 2]" 1
218 1 36 LEU H 1 66 PHE H . . 5.260 4.138 3.660 4.675 . 0 0 "[ . 1 . 2]" 1
219 1 36 LEU H 1 66 PHE QD . . 4.260 3.904 3.372 4.263 0.003 14 0 "[ . 1 . 2]" 1
220 1 36 LEU HA 1 36 LEU MD1 . . 4.780 3.278 2.989 3.436 . 0 0 "[ . 1 . 2]" 1
221 1 36 LEU HA 1 36 LEU HG . . 3.980 3.688 3.681 3.727 . 0 0 "[ . 1 . 2]" 1
222 1 36 LEU HA 1 37 GLU H . . 3.170 2.159 2.141 2.203 . 0 0 "[ . 1 . 2]" 1
223 1 36 LEU HB2 1 36 LEU MD1 . . 3.270 3.143 3.132 3.167 . 0 0 "[ . 1 . 2]" 1
224 1 36 LEU HB2 1 66 PHE H . . 5.160 4.777 4.275 5.162 0.002 16 0 "[ . 1 . 2]" 1
225 1 36 LEU HB2 1 66 PHE QD . . 4.270 2.174 1.991 2.644 . 0 0 "[ . 1 . 2]" 1
226 1 36 LEU HB3 1 64 LEU H . . 4.420 4.046 3.611 4.343 . 0 0 "[ . 1 . 2]" 1
227 1 36 LEU HB3 1 64 LEU QD . . 4.170 3.072 2.125 3.547 . 0 0 "[ . 1 . 2]" 1
228 1 36 LEU HB3 1 66 PHE QD . . 4.280 2.470 2.180 2.851 . 0 0 "[ . 1 . 2]" 1
229 1 36 LEU MD1 1 37 GLU H . . 4.390 2.828 2.386 3.300 . 0 0 "[ . 1 . 2]" 1
230 1 36 LEU MD1 1 38 PHE QD . . 3.610 2.509 1.878 2.889 . 0 0 "[ . 1 . 2]" 1
231 1 36 LEU MD1 1 64 LEU H . . 4.510 3.546 2.735 3.861 . 0 0 "[ . 1 . 2]" 1
232 1 36 LEU MD1 1 64 LEU QB . . 4.030 2.838 1.893 4.039 0.009 20 0 "[ . 1 . 2]" 1
233 1 36 LEU MD1 1 64 LEU QD . . 3.380 2.216 1.781 2.696 . 0 0 "[ . 1 . 2]" 1
234 1 36 LEU MD1 1 64 LEU HG . . 4.530 3.247 2.296 4.476 . 0 0 "[ . 1 . 2]" 1
235 1 36 LEU MD1 1 66 PHE QD . . 4.180 3.893 3.362 4.187 0.007 14 0 "[ . 1 . 2]" 1
236 1 36 LEU MD1 1 66 PHE QE . . 4.470 2.598 2.092 3.013 . 0 0 "[ . 1 . 2]" 1
237 1 36 LEU MD1 1 66 PHE HZ . . 4.530 4.111 3.557 4.540 0.010 14 0 "[ . 1 . 2]" 1
238 1 36 LEU HG 1 37 GLU H . . 4.610 4.489 4.251 4.626 0.016 8 0 "[ . 1 . 2]" 1
239 1 36 LEU HG 1 38 PHE QB . . 5.290 5.051 4.676 5.390 0.100 16 0 "[ . 1 . 2]" 1
240 1 36 LEU HG 1 66 PHE QD . . 3.590 3.345 2.906 3.598 0.008 5 0 "[ . 1 . 2]" 1
241 1 36 LEU HG 1 66 PHE QE . . 4.650 2.377 2.033 3.117 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU HG 1 75 TYR QB . . 4.810 3.718 3.294 4.139 . 0 0 "[ . 1 . 2]" 1
243 1 36 LEU HG 1 75 TYR QD . . 3.970 3.648 3.217 3.980 0.010 8 0 "[ . 1 . 2]" 1
244 1 36 LEU HG 1 76 ALA H . . 5.120 5.080 4.805 5.139 0.019 8 0 "[ . 1 . 2]" 1
245 1 37 GLU H 1 37 GLU QB . . 3.650 2.686 2.448 3.192 . 0 0 "[ . 1 . 2]" 1
246 1 37 GLU H 1 38 PHE H . . 4.520 4.000 3.875 4.155 . 0 0 "[ . 1 . 2]" 1
247 1 37 GLU HA 1 38 PHE H . . 3.190 2.160 2.141 2.180 . 0 0 "[ . 1 . 2]" 1
248 1 37 GLU QB 1 38 PHE H . . 4.410 3.770 3.398 3.961 . 0 0 "[ . 1 . 2]" 1
249 1 38 PHE H 1 38 PHE HB2 . . 3.980 3.505 2.143 3.723 . 0 0 "[ . 1 . 2]" 1
250 1 38 PHE H 1 38 PHE QB . . 3.430 2.611 2.122 2.739 . 0 0 "[ . 1 . 2]" 1
251 1 38 PHE H 1 38 PHE HB3 . . 3.980 2.807 2.587 3.460 . 0 0 "[ . 1 . 2]" 1
252 1 38 PHE H 1 38 PHE QD . . 3.850 2.353 1.970 3.422 . 0 0 "[ . 1 . 2]" 1
253 1 38 PHE HA 1 39 GLU H . . 3.180 2.209 2.172 2.266 . 0 0 "[ . 1 . 2]" 1
254 1 38 PHE QB 1 39 GLU H . . 3.560 2.952 2.744 3.087 . 0 0 "[ . 1 . 2]" 1
255 1 38 PHE HB2 1 39 GLU H . . 4.190 3.145 2.799 4.213 0.023 16 0 "[ . 1 . 2]" 1
256 1 38 PHE HB3 1 39 GLU H . . 4.190 4.000 3.005 4.207 0.017 11 0 "[ . 1 . 2]" 1
257 1 38 PHE QD 1 39 GLU H . . 4.680 3.736 2.554 3.981 . 0 0 "[ . 1 . 2]" 1
258 1 38 PHE QD 1 64 LEU QD . . 3.580 2.821 1.992 3.583 0.003 19 0 "[ . 1 . 2]" 1
259 1 40 PRO HA 1 41 SER H . . 3.340 2.342 2.151 3.390 0.050 3 0 "[ . 1 . 2]" 1
260 1 40 PRO QB 1 41 SER H . . 3.830 2.949 2.067 3.633 . 0 0 "[ . 1 . 2]" 1
261 1 40 PRO HB2 1 41 SER H . . 4.410 3.102 2.092 3.928 . 0 0 "[ . 1 . 2]" 1
262 1 40 PRO HB3 1 41 SER H . . 4.410 3.763 3.216 4.404 . 0 0 "[ . 1 . 2]" 1
263 1 44 GLN H 1 44 GLN QB . . 3.490 2.566 2.171 3.339 . 0 0 "[ . 1 . 2]" 1
264 1 44 GLN QB 1 45 TYR H . . 3.890 3.322 2.038 3.881 . 0 0 "[ . 1 . 2]" 1
265 1 45 TYR H 1 45 TYR HB2 . . 3.840 2.808 2.257 3.818 . 0 0 "[ . 1 . 2]" 1
266 1 45 TYR H 1 45 TYR QB . . 3.340 2.439 2.200 2.975 . 0 0 "[ . 1 . 2]" 1
267 1 45 TYR H 1 45 TYR HB3 . . 3.840 3.000 2.385 3.824 . 0 0 "[ . 1 . 2]" 1
268 1 45 TYR H 1 45 TYR QD . . 4.190 3.396 2.022 4.189 . 0 0 "[ . 1 . 2]" 1
269 1 45 TYR H 1 46 THR H . . 5.090 4.264 2.645 4.620 . 0 0 "[ . 1 . 2]" 1
270 1 45 TYR HA 1 46 THR H . . 3.260 2.314 2.137 2.845 . 0 0 "[ . 1 . 2]" 1
271 1 45 TYR QB 1 46 THR H . . 4.280 3.299 2.174 4.021 . 0 0 "[ . 1 . 2]" 1
272 1 46 THR H 1 46 THR MG . . 3.990 2.919 1.967 3.931 . 0 0 "[ . 1 . 2]" 1
273 1 46 THR H 1 47 GLU H . . 5.430 4.145 2.410 4.640 . 0 0 "[ . 1 . 2]" 1
274 1 46 THR HA 1 46 THR MG . . 3.310 2.411 2.113 3.199 . 0 0 "[ . 1 . 2]" 1
275 1 46 THR HA 1 47 GLU H . . 3.120 2.409 2.143 3.144 0.024 19 0 "[ . 1 . 2]" 1
276 1 46 THR MG 1 47 GLU H . . 4.050 3.490 1.999 4.103 0.053 11 0 "[ . 1 . 2]" 1
277 1 49 LEU H 1 49 LEU QB . . 3.040 2.544 2.174 3.023 . 0 0 "[ . 1 . 2]" 1
278 1 49 LEU H 1 49 LEU MD1 . . 4.820 3.807 2.079 4.627 . 0 0 "[ . 1 . 2]" 1
279 1 49 LEU H 1 49 LEU QD . . 4.090 3.128 1.916 4.053 . 0 0 "[ . 1 . 2]" 1
280 1 49 LEU H 1 49 LEU MD2 . . 4.820 3.771 1.920 4.892 0.072 6 0 "[ . 1 . 2]" 1
281 1 49 LEU H 1 49 LEU HG . . 5.420 3.858 1.952 4.721 . 0 0 "[ . 1 . 2]" 1
282 1 49 LEU HA 1 49 LEU QD . . 3.400 2.735 2.009 3.387 . 0 0 "[ . 1 . 2]" 1
283 1 49 LEU HA 1 50 MET H . . 3.570 2.564 2.144 3.569 . 0 0 "[ . 1 . 2]" 1
284 1 49 LEU QD 1 50 MET H . . 4.790 3.242 1.896 4.328 . 0 0 "[ . 1 . 2]" 1
285 1 49 LEU HG 1 50 MET H . . 4.260 3.640 2.458 4.261 0.001 9 0 "[ . 1 . 2]" 1
286 1 50 MET H 1 50 MET QB . . 3.290 2.655 2.193 3.176 . 0 0 "[ . 1 . 2]" 1
287 1 59 LYS HA 1 60 GLN H . . 2.820 2.316 2.142 2.771 . 0 0 "[ . 1 . 2]" 1
288 1 60 GLN HA 1 61 GLN H . . 3.000 2.359 2.139 2.983 . 0 0 "[ . 1 . 2]" 1
289 1 60 GLN QB 1 61 GLN H . . 4.320 3.284 2.127 4.031 . 0 0 "[ . 1 . 2]" 1
290 1 61 GLN H 1 61 GLN QB . . 3.430 2.549 2.063 3.116 . 0 0 "[ . 1 . 2]" 1
291 1 61 GLN H 1 61 GLN QG . . 3.710 2.993 1.943 3.934 0.224 10 0 "[ . 1 . 2]" 1
292 1 61 GLN HA 1 62 VAL QG . . 4.960 3.578 3.091 4.766 . 0 0 "[ . 1 . 2]" 1
293 1 61 GLN QB 1 61 GLN QE . . 3.480 2.508 1.912 3.400 . 0 0 "[ . 1 . 2]" 1
294 1 61 GLN QB 1 62 VAL H . . 4.050 3.239 2.450 4.046 . 0 0 "[ . 1 . 2]" 1
295 1 61 GLN HB2 1 61 GLN HE21 . . 4.670 3.252 1.933 4.135 . 0 0 "[ . 1 . 2]" 1
296 1 61 GLN HB2 1 61 GLN HE22 . . 4.670 4.060 3.412 4.548 . 0 0 "[ . 1 . 2]" 1
297 1 61 GLN HB3 1 61 GLN HE21 . . 4.670 3.003 2.004 4.373 . 0 0 "[ . 1 . 2]" 1
298 1 61 GLN HB3 1 61 GLN HE22 . . 4.670 4.007 3.333 4.815 0.145 10 0 "[ . 1 . 2]" 1
299 1 61 GLN QE 1 61 GLN QG . . 3.040 2.303 2.067 2.530 . 0 0 "[ . 1 . 2]" 1
300 1 61 GLN QG 1 62 VAL H . . 3.860 3.152 1.998 3.864 0.004 1 0 "[ . 1 . 2]" 1
301 1 61 GLN QG 1 62 VAL QG . . 4.370 3.784 1.894 4.367 . 0 0 "[ . 1 . 2]" 1
302 1 62 VAL H 1 62 VAL HB . . 3.890 3.342 2.588 3.825 . 0 0 "[ . 1 . 2]" 1
303 1 62 VAL H 1 62 VAL QG . . 3.270 2.099 1.819 2.732 . 0 0 "[ . 1 . 2]" 1
304 1 62 VAL HB 1 63 CYS H . . 3.810 3.392 2.024 3.922 0.112 11 0 "[ . 1 . 2]" 1
305 1 62 VAL QG 1 63 CYS H . . 3.890 2.585 1.984 3.714 . 0 0 "[ . 1 . 2]" 1
306 1 63 CYS H 1 63 CYS HB2 . . 4.100 3.116 2.363 3.852 . 0 0 "[ . 1 . 2]" 1
307 1 63 CYS H 1 63 CYS HB3 . . 4.100 3.154 2.544 3.680 . 0 0 "[ . 1 . 2]" 1
308 1 63 CYS HA 1 64 LEU H . . 3.200 2.221 2.139 2.319 . 0 0 "[ . 1 . 2]" 1
309 1 63 CYS QB 1 64 LEU H . . 3.680 3.062 2.595 3.682 0.002 17 0 "[ . 1 . 2]" 1
310 1 63 CYS HB2 1 64 LEU H . . 4.350 3.562 2.643 4.229 . 0 0 "[ . 1 . 2]" 1
311 1 63 CYS HB3 1 64 LEU H . . 4.350 3.701 2.935 4.198 . 0 0 "[ . 1 . 2]" 1
312 1 64 LEU H 1 64 LEU HB2 . . 4.060 3.171 2.286 3.929 . 0 0 "[ . 1 . 2]" 1
313 1 64 LEU H 1 64 LEU QB . . 3.440 2.586 2.239 3.170 . 0 0 "[ . 1 . 2]" 1
314 1 64 LEU H 1 64 LEU HB3 . . 4.060 3.032 2.427 3.529 . 0 0 "[ . 1 . 2]" 1
315 1 64 LEU H 1 64 LEU MD1 . . 4.580 4.223 3.871 4.429 . 0 0 "[ . 1 . 2]" 1
316 1 64 LEU H 1 64 LEU QD . . 4.000 3.437 2.049 3.912 . 0 0 "[ . 1 . 2]" 1
317 1 64 LEU H 1 64 LEU MD2 . . 4.580 3.801 2.054 4.455 . 0 0 "[ . 1 . 2]" 1
318 1 64 LEU H 1 64 LEU HG . . 4.170 3.553 2.511 4.195 0.025 16 0 "[ . 1 . 2]" 1
319 1 64 LEU H 1 65 SER H . . 4.550 4.422 4.343 4.534 . 0 0 "[ . 1 . 2]" 1
320 1 64 LEU H 1 65 SER HA . . 5.060 4.872 4.685 5.069 0.009 6 0 "[ . 1 . 2]" 1
321 1 64 LEU HA 1 64 LEU MD1 . . 4.170 3.353 2.163 4.069 . 0 0 "[ . 1 . 2]" 1
322 1 64 LEU HA 1 64 LEU QD . . 3.480 2.619 2.013 3.438 . 0 0 "[ . 1 . 2]" 1
323 1 64 LEU HA 1 64 LEU MD2 . . 4.170 3.282 2.020 4.092 . 0 0 "[ . 1 . 2]" 1
324 1 64 LEU HA 1 64 LEU HG . . 4.270 3.228 2.493 3.682 . 0 0 "[ . 1 . 2]" 1
325 1 64 LEU HA 1 65 SER H . . 3.050 2.307 2.145 2.551 . 0 0 "[ . 1 . 2]" 1
326 1 64 LEU QB 1 64 LEU QD . . 2.760 1.882 1.732 1.957 . 0 0 "[ . 1 . 2]" 1
327 1 64 LEU QB 1 65 SER H . . 3.770 2.952 2.118 3.751 . 0 0 "[ . 1 . 2]" 1
328 1 64 LEU HB2 1 64 LEU MD1 . . 3.560 2.250 1.964 2.416 . 0 0 "[ . 1 . 2]" 1
329 1 64 LEU HB2 1 64 LEU MD2 . . 3.560 2.835 2.273 3.192 . 0 0 "[ . 1 . 2]" 1
330 1 64 LEU HB3 1 64 LEU MD1 . . 3.560 2.774 2.279 3.194 . 0 0 "[ . 1 . 2]" 1
331 1 64 LEU HB3 1 64 LEU MD2 . . 3.560 2.244 1.986 2.401 . 0 0 "[ . 1 . 2]" 1
332 1 64 LEU QD 1 65 SER H . . 3.490 2.493 1.939 3.376 . 0 0 "[ . 1 . 2]" 1
333 1 64 LEU QD 1 66 PHE QD . . 3.930 3.427 2.554 3.930 . 0 0 "[ . 1 . 2]" 1
334 1 64 LEU QD 1 66 PHE QE . . 3.730 2.320 1.938 2.844 . 0 0 "[ . 1 . 2]" 1
335 1 64 LEU QD 1 66 PHE HZ . . 3.980 2.494 2.033 3.021 . 0 0 "[ . 1 . 2]" 1
336 1 64 LEU QD 1 75 TYR QD . . 3.990 3.242 2.839 3.722 . 0 0 "[ . 1 . 2]" 1
337 1 64 LEU MD1 1 65 SER H . . 4.600 3.225 1.941 4.565 . 0 0 "[ . 1 . 2]" 1
338 1 64 LEU MD1 1 66 PHE QD . . 4.670 3.802 2.584 4.657 . 0 0 "[ . 1 . 2]" 1
339 1 64 LEU MD1 1 66 PHE QE . . 4.940 2.836 1.945 3.658 . 0 0 "[ . 1 . 2]" 1
340 1 64 LEU MD1 1 75 TYR QD . . 5.300 4.247 3.112 5.310 0.010 3 0 "[ . 1 . 2]" 1
341 1 64 LEU MD2 1 65 SER H . . 4.600 3.805 2.167 4.617 0.017 3 0 "[ . 1 . 2]" 1
342 1 64 LEU MD2 1 66 PHE QD . . 4.670 4.192 3.498 4.674 0.004 17 0 "[ . 1 . 2]" 1
343 1 64 LEU MD2 1 66 PHE QE . . 4.940 2.955 1.992 3.819 . 0 0 "[ . 1 . 2]" 1
344 1 64 LEU MD2 1 75 TYR QD . . 5.300 4.023 2.850 5.294 . 0 0 "[ . 1 . 2]" 1
345 1 64 LEU HG 1 65 SER H . . 4.610 3.855 3.324 4.554 . 0 0 "[ . 1 . 2]" 1
346 1 65 SER H 1 65 SER HB2 . . 4.050 3.199 2.583 3.734 . 0 0 "[ . 1 . 2]" 1
347 1 65 SER H 1 65 SER QB . . 3.440 2.800 2.480 3.211 . 0 0 "[ . 1 . 2]" 1
348 1 65 SER H 1 65 SER HB3 . . 4.050 3.427 2.521 3.918 . 0 0 "[ . 1 . 2]" 1
349 1 65 SER H 1 66 PHE H . . 4.580 4.433 4.204 4.578 . 0 0 "[ . 1 . 2]" 1
350 1 65 SER HA 1 66 PHE H . . 3.280 2.254 2.137 2.448 . 0 0 "[ . 1 . 2]" 1
351 1 65 SER HB2 1 66 PHE H . . 4.180 3.414 2.336 4.131 . 0 0 "[ . 1 . 2]" 1
352 1 65 SER HB3 1 66 PHE H . . 4.180 3.452 2.428 4.116 . 0 0 "[ . 1 . 2]" 1
353 1 66 PHE H 1 66 PHE HB2 . . 4.020 2.561 2.338 2.764 . 0 0 "[ . 1 . 2]" 1
354 1 66 PHE H 1 66 PHE QD . . 3.860 3.460 2.635 3.867 0.007 3 0 "[ . 1 . 2]" 1
355 1 66 PHE HB2 1 68 THR H . . 4.530 4.473 4.289 4.533 0.003 10 0 "[ . 1 . 2]" 1
356 1 66 PHE HB2 1 72 ALA H . . 4.390 4.034 3.717 4.387 . 0 0 "[ . 1 . 2]" 1
357 1 66 PHE HB3 1 68 THR H . . 3.830 3.035 2.730 3.287 . 0 0 "[ . 1 . 2]" 1
358 1 66 PHE HB3 1 71 LEU H . . 4.610 4.369 4.105 4.619 0.009 3 0 "[ . 1 . 2]" 1
359 1 66 PHE HB3 1 72 ALA H . . 4.590 3.515 3.104 3.892 . 0 0 "[ . 1 . 2]" 1
360 1 66 PHE HB3 1 72 ALA MB . . 4.130 3.525 2.926 4.001 . 0 0 "[ . 1 . 2]" 1
361 1 66 PHE QD 1 71 LEU HB3 . . 4.400 2.260 1.996 2.728 . 0 0 "[ . 1 . 2]" 1
362 1 66 PHE QD 1 71 LEU MD1 . . 3.960 3.252 2.259 4.074 0.114 3 0 "[ . 1 . 2]" 1
363 1 66 PHE QD 1 71 LEU QD . . 3.480 2.288 1.877 2.827 . 0 0 "[ . 1 . 2]" 1
364 1 66 PHE QD 1 71 LEU MD2 . . 3.960 2.823 1.880 3.957 . 0 0 "[ . 1 . 2]" 1
365 1 67 THR H 1 67 THR MG . . 3.890 3.721 3.610 3.843 . 0 0 "[ . 1 . 2]" 1
366 1 67 THR H 1 68 THR H . . 4.490 2.601 2.177 2.932 . 0 0 "[ . 1 . 2]" 1
367 1 67 THR H 1 71 LEU QD . . 4.800 2.776 1.857 3.800 . 0 0 "[ . 1 . 2]" 1
368 1 67 THR HA 1 67 THR MG . . 3.190 2.140 2.020 2.310 . 0 0 "[ . 1 . 2]" 1
369 1 67 THR HB 1 68 THR H . . 4.290 2.456 2.235 2.747 . 0 0 "[ . 1 . 2]" 1
370 1 67 THR HB 1 68 THR MG . . 3.510 3.235 2.482 3.516 0.006 10 0 "[ . 1 . 2]" 1
371 1 67 THR HB 1 71 LEU QD . . 3.800 3.008 2.229 3.723 . 0 0 "[ . 1 . 2]" 1
372 1 67 THR MG 1 68 THR H . . 4.110 3.768 3.387 4.006 . 0 0 "[ . 1 . 2]" 1
373 1 67 THR MG 1 68 THR MG . . 3.220 3.018 2.581 3.224 0.004 10 0 "[ . 1 . 2]" 1
374 1 68 THR H 1 68 THR HB . . 3.900 3.685 3.548 3.897 . 0 0 "[ . 1 . 2]" 1
375 1 68 THR H 1 68 THR MG . . 3.570 3.299 2.845 3.450 . 0 0 "[ . 1 . 2]" 1
376 1 68 THR H 1 69 ARG H . . 4.540 4.454 4.403 4.511 . 0 0 "[ . 1 . 2]" 1
377 1 68 THR H 1 70 GLU H . . 5.500 5.228 4.778 5.513 0.013 5 0 "[ . 1 . 2]" 1
378 1 68 THR H 1 71 LEU H . . 4.170 3.787 3.405 4.019 . 0 0 "[ . 1 . 2]" 1
379 1 68 THR H 1 71 LEU HB2 . . 3.840 2.636 2.250 3.166 . 0 0 "[ . 1 . 2]" 1
380 1 68 THR H 1 71 LEU HB3 . . 4.050 3.540 2.819 4.072 0.022 3 0 "[ . 1 . 2]" 1
381 1 68 THR H 1 71 LEU MD1 . . 4.860 3.871 2.152 4.861 0.001 18 0 "[ . 1 . 2]" 1
382 1 68 THR H 1 71 LEU QD . . 3.480 2.740 1.957 3.268 . 0 0 "[ . 1 . 2]" 1
383 1 68 THR H 1 71 LEU MD2 . . 4.860 3.395 1.964 4.860 . 0 0 "[ . 1 . 2]" 1
384 1 68 THR HA 1 68 THR MG . . 3.100 2.188 2.080 2.407 . 0 0 "[ . 1 . 2]" 1
385 1 68 THR HA 1 69 ARG H . . 3.340 2.375 2.204 2.559 . 0 0 "[ . 1 . 2]" 1
386 1 68 THR HB 1 69 ARG H . . 3.470 2.540 2.098 3.085 . 0 0 "[ . 1 . 2]" 1
387 1 68 THR HB 1 70 GLU H . . 3.490 2.715 2.522 2.943 . 0 0 "[ . 1 . 2]" 1
388 1 68 THR HB 1 71 LEU H . . 4.420 3.479 3.087 4.398 . 0 0 "[ . 1 . 2]" 1
389 1 68 THR MG 1 69 ARG H . . 3.960 3.284 2.913 3.785 . 0 0 "[ . 1 . 2]" 1
390 1 68 THR MG 1 70 GLU H . . 4.480 4.215 3.966 4.445 . 0 0 "[ . 1 . 2]" 1
391 1 68 THR MG 1 71 LEU H . . 4.840 4.681 4.489 4.829 . 0 0 "[ . 1 . 2]" 1
392 1 69 ARG H 1 69 ARG HB2 . . 3.710 3.339 2.366 3.591 . 0 0 "[ . 1 . 2]" 1
393 1 69 ARG H 1 69 ARG QB . . 3.250 2.516 2.221 2.684 . 0 0 "[ . 1 . 2]" 1
394 1 69 ARG H 1 69 ARG HB3 . . 3.710 2.664 2.356 3.593 . 0 0 "[ . 1 . 2]" 1
395 1 69 ARG H 1 69 ARG HG2 . . 4.650 2.881 1.946 4.456 . 0 0 "[ . 1 . 2]" 1
396 1 69 ARG H 1 69 ARG QG . . 4.090 2.414 1.919 4.018 . 0 0 "[ . 1 . 2]" 1
397 1 69 ARG H 1 69 ARG HG3 . . 4.650 3.032 2.019 4.649 . 0 0 "[ . 1 . 2]" 1
398 1 69 ARG H 1 70 GLU H . . 3.660 2.745 2.545 2.924 . 0 0 "[ . 1 . 2]" 1
399 1 69 ARG HA 1 69 ARG QD . . 4.390 4.116 3.821 4.399 0.009 16 0 "[ . 1 . 2]" 1
400 1 69 ARG HA 1 69 ARG QG . . 3.670 3.144 2.441 3.387 . 0 0 "[ . 1 . 2]" 1
401 1 69 ARG HA 1 70 GLU HA . . 5.090 4.862 4.828 4.897 . 0 0 "[ . 1 . 2]" 1
402 1 69 ARG HA 1 71 LEU H . . 4.690 3.957 3.850 4.333 . 0 0 "[ . 1 . 2]" 1
403 1 69 ARG HA 1 72 ALA MB . . 3.780 2.750 2.315 3.371 . 0 0 "[ . 1 . 2]" 1
404 1 69 ARG HA 1 73 ILE MD . . 4.240 3.166 2.628 3.633 . 0 0 "[ . 1 . 2]" 1
405 1 69 ARG QB 1 70 GLU H . . 3.620 3.092 2.272 3.473 . 0 0 "[ . 1 . 2]" 1
406 1 69 ARG QB 1 72 ALA MB . . 5.030 3.983 3.534 4.773 . 0 0 "[ . 1 . 2]" 1
407 1 69 ARG HB2 1 70 GLU H . . 4.210 3.565 2.438 3.860 . 0 0 "[ . 1 . 2]" 1
408 1 69 ARG HB3 1 70 GLU H . . 4.210 3.643 2.295 4.065 . 0 0 "[ . 1 . 2]" 1
409 1 69 ARG QD 1 70 GLU H . . 3.940 3.358 2.334 4.037 0.097 7 0 "[ . 1 . 2]" 1
410 1 69 ARG QD 1 73 ILE MD . . 4.080 2.939 1.870 4.132 0.052 10 0 "[ . 1 . 2]" 1
411 1 69 ARG HD2 1 70 GLU H . . 4.540 3.655 2.365 4.553 0.013 16 0 "[ . 1 . 2]" 1
412 1 69 ARG HD3 1 70 GLU H . . 4.540 4.205 2.675 4.547 0.007 14 0 "[ . 1 . 2]" 1
413 1 69 ARG QG 1 70 GLU H . . 3.990 2.373 1.880 3.992 0.002 10 0 "[ . 1 . 2]" 1
414 1 69 ARG HG2 1 70 GLU H . . 4.820 3.275 1.942 4.855 0.035 10 0 "[ . 1 . 2]" 1
415 1 69 ARG HG3 1 70 GLU H . . 4.820 2.723 1.938 4.822 0.002 9 0 "[ . 1 . 2]" 1
416 1 70 GLU H 1 70 GLU HB2 . . 3.600 2.412 2.161 3.585 . 0 0 "[ . 1 . 2]" 1
417 1 70 GLU H 1 70 GLU QB . . 3.160 2.284 2.112 2.541 . 0 0 "[ . 1 . 2]" 1
418 1 70 GLU H 1 70 GLU HB3 . . 3.600 3.173 2.438 3.594 . 0 0 "[ . 1 . 2]" 1
419 1 70 GLU H 1 71 LEU H . . 3.720 2.771 2.741 2.906 . 0 0 "[ . 1 . 2]" 1
420 1 70 GLU H 1 71 LEU HB2 . . 4.710 4.656 4.559 4.735 0.025 3 0 "[ . 1 . 2]" 1
421 1 70 GLU H 1 72 ALA H . . 4.530 4.310 4.195 4.525 . 0 0 "[ . 1 . 2]" 1
422 1 70 GLU H 1 73 ILE HB . . 5.500 5.489 5.252 5.550 0.050 3 0 "[ . 1 . 2]" 1
423 1 70 GLU H 1 73 ILE MD . . 4.830 3.804 3.614 3.998 . 0 0 "[ . 1 . 2]" 1
424 1 70 GLU HA 1 72 ALA H . . 4.590 4.391 4.068 4.596 0.006 3 0 "[ . 1 . 2]" 1
425 1 70 GLU HA 1 73 ILE H . . 4.320 3.934 3.405 4.299 . 0 0 "[ . 1 . 2]" 1
426 1 70 GLU HA 1 73 ILE HB . . 3.600 3.221 2.866 3.542 . 0 0 "[ . 1 . 2]" 1
427 1 70 GLU HA 1 73 ILE MD . . 3.640 2.675 1.980 3.260 . 0 0 "[ . 1 . 2]" 1
428 1 70 GLU HA 1 73 ILE MG . . 4.710 4.524 4.276 4.716 0.006 16 0 "[ . 1 . 2]" 1
429 1 70 GLU HA 1 74 ALA H . . 4.270 3.928 3.773 4.043 . 0 0 "[ . 1 . 2]" 1
430 1 70 GLU QB 1 71 LEU H . . 3.620 2.812 2.386 3.524 . 0 0 "[ . 1 . 2]" 1
431 1 70 GLU QB 1 74 ALA H . . 5.340 4.982 4.422 5.311 . 0 0 "[ . 1 . 2]" 1
432 1 71 LEU H 1 71 LEU HB2 . . 3.410 2.125 2.043 2.218 . 0 0 "[ . 1 . 2]" 1
433 1 71 LEU H 1 71 LEU HB3 . . 4.010 3.166 2.915 3.474 . 0 0 "[ . 1 . 2]" 1
434 1 71 LEU H 1 71 LEU MD1 . . 4.160 3.693 2.887 4.186 0.026 6 0 "[ . 1 . 2]" 1
435 1 71 LEU H 1 71 LEU MD2 . . 4.160 3.882 2.965 4.219 0.059 3 0 "[ . 1 . 2]" 1
436 1 71 LEU H 1 71 LEU HG . . 4.580 4.172 3.113 4.596 0.016 16 0 "[ . 1 . 2]" 1
437 1 71 LEU H 1 72 ALA H . . 3.380 2.550 2.385 2.802 . 0 0 "[ . 1 . 2]" 1
438 1 71 LEU H 1 72 ALA HA . . 5.410 5.181 5.041 5.384 . 0 0 "[ . 1 . 2]" 1
439 1 71 LEU H 1 72 ALA MB . . 4.860 4.174 4.008 4.440 . 0 0 "[ . 1 . 2]" 1
440 1 71 LEU H 1 74 ALA MB . . 4.700 4.344 4.128 4.423 . 0 0 "[ . 1 . 2]" 1
441 1 71 LEU HA 1 71 LEU MD1 . . 4.050 2.536 1.969 3.812 . 0 0 "[ . 1 . 2]" 1
442 1 71 LEU HA 1 71 LEU QD . . 2.860 2.052 1.930 2.492 . 0 0 "[ . 1 . 2]" 1
443 1 71 LEU HA 1 71 LEU MD2 . . 4.050 2.984 2.017 3.800 . 0 0 "[ . 1 . 2]" 1
444 1 71 LEU HA 1 71 LEU HG . . 4.240 2.913 2.312 3.652 . 0 0 "[ . 1 . 2]" 1
445 1 71 LEU HA 1 72 ALA MB . . 5.190 5.008 4.994 5.029 . 0 0 "[ . 1 . 2]" 1
446 1 71 LEU HA 1 74 ALA H . . 4.110 3.747 3.341 3.888 . 0 0 "[ . 1 . 2]" 1
447 1 71 LEU HA 1 74 ALA MB . . 3.420 2.445 2.069 2.594 . 0 0 "[ . 1 . 2]" 1
448 1 71 LEU HB2 1 72 ALA H . . 3.800 3.249 2.869 3.521 . 0 0 "[ . 1 . 2]" 1
449 1 71 LEU HB3 1 71 LEU MD1 . . 3.470 2.805 2.311 3.195 . 0 0 "[ . 1 . 2]" 1
450 1 71 LEU HB3 1 71 LEU MD2 . . 3.470 2.541 2.206 3.191 . 0 0 "[ . 1 . 2]" 1
451 1 71 LEU HB3 1 72 ALA H . . 3.950 2.925 2.653 3.406 . 0 0 "[ . 1 . 2]" 1
452 1 71 LEU HB3 1 74 ALA H . . 5.500 5.474 5.225 5.511 0.011 10 0 "[ . 1 . 2]" 1
453 1 71 LEU QD 1 74 ALA MB . . 3.500 3.273 2.930 3.549 0.049 3 0 "[ . 1 . 2]" 1
454 1 72 ALA H 1 72 ALA MB . . 3.020 2.092 2.046 2.218 . 0 0 "[ . 1 . 2]" 1
455 1 72 ALA H 1 73 ILE H . . 3.260 2.838 2.608 2.926 . 0 0 "[ . 1 . 2]" 1
456 1 72 ALA H 1 73 ILE MD . . 4.370 3.761 3.425 4.140 . 0 0 "[ . 1 . 2]" 1
457 1 72 ALA H 1 74 ALA MB . . 4.490 4.349 4.206 4.501 0.011 3 0 "[ . 1 . 2]" 1
458 1 72 ALA HA 1 73 ILE MD . . 5.080 4.950 4.727 5.098 0.018 3 0 "[ . 1 . 2]" 1
459 1 72 ALA HA 1 75 TYR H . . 4.100 3.666 3.492 3.815 . 0 0 "[ . 1 . 2]" 1
460 1 72 ALA HA 1 75 TYR QB . . 4.260 3.233 2.834 3.695 . 0 0 "[ . 1 . 2]" 1
461 1 72 ALA HA 1 76 ALA H . . 5.400 4.777 4.347 5.369 . 0 0 "[ . 1 . 2]" 1
462 1 72 ALA MB 1 73 ILE H . . 3.500 2.184 2.084 2.448 . 0 0 "[ . 1 . 2]" 1
463 1 72 ALA MB 1 73 ILE HA . . 3.890 3.628 3.578 3.717 . 0 0 "[ . 1 . 2]" 1
464 1 72 ALA MB 1 73 ILE HG13 . . 3.490 3.258 3.097 3.426 . 0 0 "[ . 1 . 2]" 1
465 1 72 ALA MB 1 74 ALA H . . 4.490 4.213 4.120 4.351 . 0 0 "[ . 1 . 2]" 1
466 1 72 ALA MB 1 75 TYR H . . 4.840 4.544 4.421 4.743 . 0 0 "[ . 1 . 2]" 1
467 1 72 ALA MB 1 76 ALA H . . 5.500 4.960 4.720 5.380 . 0 0 "[ . 1 . 2]" 1
468 1 73 ILE H 1 73 ILE HB . . 3.260 2.555 2.453 2.594 . 0 0 "[ . 1 . 2]" 1
469 1 73 ILE H 1 73 ILE MD . . 3.560 2.156 1.959 2.488 . 0 0 "[ . 1 . 2]" 1
470 1 73 ILE H 1 73 ILE HG12 . . 3.970 3.802 3.750 3.991 0.021 3 0 "[ . 1 . 2]" 1
471 1 73 ILE H 1 73 ILE HG13 . . 3.650 2.671 2.521 2.878 . 0 0 "[ . 1 . 2]" 1
472 1 73 ILE H 1 73 ILE MG . . 4.100 3.764 3.757 3.767 . 0 0 "[ . 1 . 2]" 1
473 1 73 ILE H 1 74 ALA HA . . 5.480 5.314 5.112 5.375 . 0 0 "[ . 1 . 2]" 1
474 1 73 ILE HA 1 73 ILE MD . . 3.830 3.527 3.382 3.622 . 0 0 "[ . 1 . 2]" 1
475 1 73 ILE HA 1 73 ILE HG12 . . 3.900 3.377 3.260 3.472 . 0 0 "[ . 1 . 2]" 1
476 1 73 ILE HA 1 73 ILE HG13 . . 3.490 2.318 2.270 2.351 . 0 0 "[ . 1 . 2]" 1
477 1 73 ILE HA 1 73 ILE MG . . 3.400 2.334 2.303 2.376 . 0 0 "[ . 1 . 2]" 1
478 1 73 ILE HA 1 75 TYR H . . 4.310 3.922 3.719 4.289 . 0 0 "[ . 1 . 2]" 1
479 1 73 ILE HA 1 76 ALA H . . 4.120 3.392 3.181 3.518 . 0 0 "[ . 1 . 2]" 1
480 1 73 ILE HA 1 76 ALA MB . . 3.440 2.871 2.600 3.119 . 0 0 "[ . 1 . 2]" 1
481 1 73 ILE HA 1 77 VAL H . . 4.720 3.719 3.560 4.081 . 0 0 "[ . 1 . 2]" 1
482 1 73 ILE HA 1 77 VAL MG2 . . 4.390 3.483 3.310 3.850 . 0 0 "[ . 1 . 2]" 1
483 1 73 ILE HB 1 73 ILE MD . . 3.120 2.034 2.004 2.103 . 0 0 "[ . 1 . 2]" 1
484 1 73 ILE HB 1 74 ALA H . . 4.240 2.776 2.636 2.856 . 0 0 "[ . 1 . 2]" 1
485 1 73 ILE MD 1 83 TYR QD . . 4.260 4.078 3.856 4.272 0.012 16 0 "[ . 1 . 2]" 1
486 1 73 ILE MD 1 83 TYR QE . . 4.010 3.794 3.408 3.979 . 0 0 "[ . 1 . 2]" 1
487 1 73 ILE MD 1 85 VAL QG . . 3.340 2.872 2.482 3.333 . 0 0 "[ . 1 . 2]" 1
488 1 73 ILE HG12 1 73 ILE MG . . 3.500 2.015 1.960 2.059 . 0 0 "[ . 1 . 2]" 1
489 1 73 ILE HG12 1 74 ALA H . . 5.260 5.262 5.155 5.316 0.056 10 0 "[ . 1 . 2]" 1
490 1 73 ILE HG12 1 77 VAL MG2 . . 4.740 4.428 4.320 4.617 . 0 0 "[ . 1 . 2]" 1
491 1 73 ILE MG 1 74 ALA H . . 3.710 3.554 3.486 3.623 . 0 0 "[ . 1 . 2]" 1
492 1 73 ILE MG 1 74 ALA HA . . 3.920 3.545 3.458 3.605 . 0 0 "[ . 1 . 2]" 1
493 1 73 ILE MG 1 77 VAL H . . 4.230 3.276 3.108 3.597 . 0 0 "[ . 1 . 2]" 1
494 1 73 ILE MG 1 77 VAL HB . . 4.210 3.517 3.311 3.711 . 0 0 "[ . 1 . 2]" 1
495 1 73 ILE MG 1 77 VAL MG2 . . 3.000 1.811 1.722 2.036 . 0 0 "[ . 1 . 2]" 1
496 1 73 ILE MG 1 83 TYR QD . . 4.650 3.141 2.894 3.695 . 0 0 "[ . 1 . 2]" 1
497 1 73 ILE MG 1 83 TYR QE . . 3.850 2.587 2.521 2.739 . 0 0 "[ . 1 . 2]" 1
498 1 74 ALA H 1 74 ALA MB . . 2.830 2.150 2.075 2.212 . 0 0 "[ . 1 . 2]" 1
499 1 74 ALA H 1 75 TYR H . . 3.270 2.681 2.556 2.879 . 0 0 "[ . 1 . 2]" 1
500 1 74 ALA H 1 75 TYR QB . . 4.890 4.440 4.327 4.576 . 0 0 "[ . 1 . 2]" 1
501 1 74 ALA H 1 77 VAL H . . 5.020 4.969 4.868 5.020 0.000 4 0 "[ . 1 . 2]" 1
502 1 74 ALA H 1 77 VAL HB . . 5.270 5.171 5.043 5.278 0.008 3 0 "[ . 1 . 2]" 1
503 1 74 ALA H 1 77 VAL MG2 . . 4.680 4.530 4.346 4.678 . 0 0 "[ . 1 . 2]" 1
504 1 74 ALA HA 1 77 VAL H . . 4.420 4.031 3.671 4.161 . 0 0 "[ . 1 . 2]" 1
505 1 74 ALA HA 1 77 VAL HB . . 3.850 2.985 2.645 3.091 . 0 0 "[ . 1 . 2]" 1
506 1 74 ALA HA 1 77 VAL MG2 . . 3.980 3.536 3.193 3.682 . 0 0 "[ . 1 . 2]" 1
507 1 74 ALA HA 1 78 ALA H . . 4.260 4.189 3.983 4.266 0.006 8 0 "[ . 1 . 2]" 1
508 1 74 ALA MB 1 75 TYR H . . 3.310 2.843 2.543 2.956 . 0 0 "[ . 1 . 2]" 1
509 1 74 ALA MB 1 75 TYR QB . . 4.480 3.969 3.880 4.179 . 0 0 "[ . 1 . 2]" 1
510 1 74 ALA MB 1 77 VAL HB . . 4.580 4.502 4.150 4.584 0.004 3 0 "[ . 1 . 2]" 1
511 1 75 TYR H 1 75 TYR HB2 . . 3.370 2.517 2.070 2.730 . 0 0 "[ . 1 . 2]" 1
512 1 75 TYR H 1 75 TYR HB3 . . 3.370 2.658 2.401 3.385 0.015 8 0 "[ . 1 . 2]" 1
513 1 75 TYR H 1 76 ALA H . . 3.480 2.616 2.453 2.896 . 0 0 "[ . 1 . 2]" 1
514 1 75 TYR H 1 77 VAL H . . 4.660 4.185 3.979 4.489 . 0 0 "[ . 1 . 2]" 1
515 1 75 TYR HA 1 78 ALA H . . 4.050 3.701 3.492 3.825 . 0 0 "[ . 1 . 2]" 1
516 1 75 TYR HA 1 78 ALA MB . . 3.750 2.655 2.410 2.838 . 0 0 "[ . 1 . 2]" 1
517 1 75 TYR QB 1 76 ALA H . . 3.860 2.357 2.120 2.498 . 0 0 "[ . 1 . 2]" 1
518 1 76 ALA H 1 76 ALA MB . . 3.160 2.116 2.023 2.232 . 0 0 "[ . 1 . 2]" 1
519 1 76 ALA H 1 77 VAL H . . 3.620 2.829 2.750 2.898 . 0 0 "[ . 1 . 2]" 1
520 1 76 ALA H 1 77 VAL HB . . 5.500 4.959 4.857 5.056 . 0 0 "[ . 1 . 2]" 1
521 1 76 ALA H 1 77 VAL MG2 . . 4.260 4.212 4.109 4.263 0.003 16 0 "[ . 1 . 2]" 1
522 1 76 ALA H 1 81 ILE HB . . 4.920 4.784 4.572 4.926 0.006 8 0 "[ . 1 . 2]" 1
523 1 76 ALA H 1 81 ILE MD . . 5.500 4.612 4.382 4.864 . 0 0 "[ . 1 . 2]" 1
524 1 76 ALA H 1 83 TYR QD . . 4.970 4.951 4.786 4.981 0.011 3 0 "[ . 1 . 2]" 1
525 1 76 ALA HA 1 79 HIS H . . 3.900 3.759 3.566 3.880 . 0 0 "[ . 1 . 2]" 1
526 1 76 ALA HA 1 81 ILE HB . . 3.740 2.340 2.016 2.542 . 0 0 "[ . 1 . 2]" 1
527 1 76 ALA HA 1 81 ILE MD . . 3.680 2.218 1.985 2.562 . 0 0 "[ . 1 . 2]" 1
528 1 76 ALA HA 1 81 ILE MG . . 4.120 3.584 3.405 3.794 . 0 0 "[ . 1 . 2]" 1
529 1 76 ALA MB 1 77 VAL H . . 3.320 2.373 2.253 2.459 . 0 0 "[ . 1 . 2]" 1
530 1 76 ALA MB 1 81 ILE H . . 3.770 3.339 3.032 3.729 . 0 0 "[ . 1 . 2]" 1
531 1 76 ALA MB 1 81 ILE HB . . 3.580 2.146 1.976 2.387 . 0 0 "[ . 1 . 2]" 1
532 1 76 ALA MB 1 81 ILE MD . . 3.490 3.271 3.117 3.440 . 0 0 "[ . 1 . 2]" 1
533 1 76 ALA MB 1 81 ILE MG . . 3.700 2.710 2.499 3.028 . 0 0 "[ . 1 . 2]" 1
534 1 76 ALA MB 1 83 TYR H . . 4.340 3.548 3.351 3.672 . 0 0 "[ . 1 . 2]" 1
535 1 76 ALA MB 1 83 TYR QD . . 3.480 2.246 1.971 2.498 . 0 0 "[ . 1 . 2]" 1
536 1 76 ALA MB 1 83 TYR QE . . 4.210 3.946 3.299 4.200 . 0 0 "[ . 1 . 2]" 1
537 1 76 ALA MB 1 84 THR H . . 5.320 5.184 5.073 5.340 0.020 8 0 "[ . 1 . 2]" 1
538 1 77 VAL H 1 77 VAL HB . . 3.180 2.587 2.530 2.601 . 0 0 "[ . 1 . 2]" 1
539 1 77 VAL H 1 77 VAL MG1 . . 3.990 3.765 3.763 3.766 . 0 0 "[ . 1 . 2]" 1
540 1 77 VAL H 1 77 VAL MG2 . . 3.050 1.955 1.928 2.075 . 0 0 "[ . 1 . 2]" 1
541 1 77 VAL H 1 78 ALA H . . 3.370 2.752 2.630 2.778 . 0 0 "[ . 1 . 2]" 1
542 1 77 VAL H 1 79 HIS H . . 4.540 4.345 4.268 4.453 . 0 0 "[ . 1 . 2]" 1
543 1 77 VAL HA 1 77 VAL MG1 . . 3.070 2.371 2.311 2.407 . 0 0 "[ . 1 . 2]" 1
544 1 77 VAL HA 1 77 VAL MG2 . . 2.910 2.425 2.386 2.435 . 0 0 "[ . 1 . 2]" 1
545 1 77 VAL HB 1 78 ALA H . . 3.440 2.847 2.791 2.934 . 0 0 "[ . 1 . 2]" 1
546 1 77 VAL HB 1 78 ALA MB . . 4.440 4.235 4.175 4.325 . 0 0 "[ . 1 . 2]" 1
547 1 77 VAL MG1 1 78 ALA H . . 3.630 3.619 3.564 3.645 0.015 16 0 "[ . 1 . 2]" 1
548 1 77 VAL MG1 1 78 ALA HA . . 4.130 3.587 3.506 3.684 . 0 0 "[ . 1 . 2]" 1
549 1 77 VAL MG1 1 79 HIS H . . 4.750 4.632 4.566 4.749 . 0 0 "[ . 1 . 2]" 1
550 1 77 VAL MG1 1 80 LYS H . . 4.050 3.789 3.654 4.006 . 0 0 "[ . 1 . 2]" 1
551 1 77 VAL MG2 1 78 ALA H . . 3.990 3.902 3.885 3.944 . 0 0 "[ . 1 . 2]" 1
552 1 77 VAL MG2 1 83 TYR QD . . 4.080 2.953 2.528 3.767 . 0 0 "[ . 1 . 2]" 1
553 1 77 VAL MG2 1 83 TYR QE . . 3.410 2.130 1.902 2.686 . 0 0 "[ . 1 . 2]" 1
554 1 78 ALA H 1 78 ALA MB . . 2.930 2.115 2.037 2.231 . 0 0 "[ . 1 . 2]" 1
555 1 78 ALA H 1 79 HIS H . . 3.390 2.758 2.690 2.793 . 0 0 "[ . 1 . 2]" 1
556 1 78 ALA H 1 80 LYS H . . 4.250 4.066 3.873 4.136 . 0 0 "[ . 1 . 2]" 1
557 1 78 ALA MB 1 79 HIS H . . 3.400 2.794 2.663 2.934 . 0 0 "[ . 1 . 2]" 1
558 1 78 ALA MB 1 79 HIS HA . . 4.440 4.082 4.035 4.121 . 0 0 "[ . 1 . 2]" 1
559 1 79 HIS H 1 79 HIS HB2 . . 3.880 2.629 2.462 2.944 . 0 0 "[ . 1 . 2]" 1
560 1 79 HIS H 1 79 HIS QB . . 3.300 2.506 2.424 2.595 . 0 0 "[ . 1 . 2]" 1
561 1 79 HIS H 1 79 HIS HB3 . . 3.880 3.412 2.806 3.783 . 0 0 "[ . 1 . 2]" 1
562 1 79 HIS H 1 80 LYS H . . 3.120 2.372 2.247 2.440 . 0 0 "[ . 1 . 2]" 1
563 1 79 HIS H 1 81 ILE H . . 4.110 3.238 2.978 3.492 . 0 0 "[ . 1 . 2]" 1
564 1 79 HIS H 1 81 ILE HB . . 4.600 4.409 4.252 4.601 0.001 8 0 "[ . 1 . 2]" 1
565 1 79 HIS QB 1 80 LYS H . . 4.480 3.730 3.647 3.760 . 0 0 "[ . 1 . 2]" 1
566 1 79 HIS QB 1 81 ILE H . . 4.450 3.751 3.398 4.190 . 0 0 "[ . 1 . 2]" 1
567 1 79 HIS QB 1 81 ILE MD . . 3.680 2.100 1.911 2.242 . 0 0 "[ . 1 . 2]" 1
568 1 79 HIS HB2 1 81 ILE MD . . 4.490 2.451 2.013 3.170 . 0 0 "[ . 1 . 2]" 1
569 1 79 HIS HB3 1 81 ILE MD . . 4.490 2.684 1.963 3.205 . 0 0 "[ . 1 . 2]" 1
570 1 80 LYS H 1 80 LYS HA . . 2.930 2.279 2.278 2.279 . 0 0 "[ . 1 . 2]" 1
571 1 80 LYS H 1 80 LYS QB . . 3.570 3.151 2.852 3.358 . 0 0 "[ . 1 . 2]" 1
572 1 80 LYS H 1 80 LYS QE . . 4.440 4.026 3.414 4.410 . 0 0 "[ . 1 . 2]" 1
573 1 80 LYS H 1 81 ILE H . . 3.470 2.859 2.768 2.986 . 0 0 "[ . 1 . 2]" 1
574 1 80 LYS HA 1 81 ILE H . . 3.350 2.734 2.571 2.902 . 0 0 "[ . 1 . 2]" 1
575 1 80 LYS QB 1 80 LYS QE . . 3.910 2.735 2.061 3.820 . 0 0 "[ . 1 . 2]" 1
576 1 80 LYS QB 1 81 ILE H . . 4.290 3.877 3.800 3.922 . 0 0 "[ . 1 . 2]" 1
577 1 81 ILE H 1 81 ILE HB . . 3.160 2.539 2.497 2.601 . 0 0 "[ . 1 . 2]" 1
578 1 81 ILE H 1 81 ILE MD . . 3.720 3.597 3.375 3.716 . 0 0 "[ . 1 . 2]" 1
579 1 81 ILE H 1 81 ILE QG . . 3.650 2.413 2.184 2.602 . 0 0 "[ . 1 . 2]" 1
580 1 81 ILE H 1 82 ASP H . . 4.750 4.545 4.504 4.585 . 0 0 "[ . 1 . 2]" 1
581 1 81 ILE HA 1 81 ILE MD . . 4.440 3.874 3.854 3.886 . 0 0 "[ . 1 . 2]" 1
582 1 81 ILE HA 1 81 ILE QG . . 3.540 2.453 2.432 2.484 . 0 0 "[ . 1 . 2]" 1
583 1 81 ILE HA 1 81 ILE MG . . 3.560 2.297 2.249 2.332 . 0 0 "[ . 1 . 2]" 1
584 1 81 ILE HA 1 82 ASP H . . 3.090 2.209 2.187 2.226 . 0 0 "[ . 1 . 2]" 1
585 1 81 ILE HB 1 81 ILE MD . . 3.210 2.326 2.204 2.388 . 0 0 "[ . 1 . 2]" 1
586 1 81 ILE HB 1 82 ASP H . . 4.130 3.975 3.915 4.038 . 0 0 "[ . 1 . 2]" 1
587 1 81 ILE QG 1 82 ASP H . . 4.910 4.037 3.993 4.140 . 0 0 "[ . 1 . 2]" 1
588 1 81 ILE MG 1 82 ASP H . . 3.610 2.061 1.976 2.232 . 0 0 "[ . 1 . 2]" 1
589 1 81 ILE MG 1 82 ASP QB . . 4.070 3.456 3.341 3.697 . 0 0 "[ . 1 . 2]" 1
590 1 81 ILE MG 1 83 TYR H . . 4.550 4.287 4.128 4.422 . 0 0 "[ . 1 . 2]" 1
591 1 81 ILE MG 1 83 TYR HB3 . . 4.180 4.004 3.716 4.165 . 0 0 "[ . 1 . 2]" 1
592 1 82 ASP H 1 82 ASP HB2 . . 3.870 2.420 2.161 2.762 . 0 0 "[ . 1 . 2]" 1
593 1 82 ASP H 1 82 ASP QB . . 3.170 2.347 2.140 2.677 . 0 0 "[ . 1 . 2]" 1
594 1 82 ASP H 1 82 ASP HB3 . . 3.870 3.378 2.517 3.603 . 0 0 "[ . 1 . 2]" 1
595 1 82 ASP H 1 83 TYR H . . 4.380 4.314 4.235 4.372 . 0 0 "[ . 1 . 2]" 1
596 1 82 ASP HA 1 83 TYR H . . 2.860 2.170 2.153 2.199 . 0 0 "[ . 1 . 2]" 1
597 1 82 ASP QB 1 83 TYR H . . 4.060 3.672 3.523 3.959 . 0 0 "[ . 1 . 2]" 1
598 1 82 ASP HB2 1 83 TYR H . . 4.730 4.468 4.244 4.594 . 0 0 "[ . 1 . 2]" 1
599 1 82 ASP HB3 1 83 TYR H . . 4.730 3.916 3.720 4.386 . 0 0 "[ . 1 . 2]" 1
600 1 83 TYR H 1 83 TYR HB2 . . 3.780 3.679 3.668 3.698 . 0 0 "[ . 1 . 2]" 1
601 1 83 TYR H 1 83 TYR HB3 . . 4.010 2.876 2.816 2.937 . 0 0 "[ . 1 . 2]" 1
602 1 83 TYR H 1 83 TYR QD . . 3.310 2.393 2.153 2.565 . 0 0 "[ . 1 . 2]" 1
603 1 83 TYR H 1 83 TYR QE . . 4.110 3.959 3.907 4.088 . 0 0 "[ . 1 . 2]" 1
604 1 83 TYR HA 1 84 THR H . . 3.320 2.178 2.156 2.208 . 0 0 "[ . 1 . 2]" 1
605 1 83 TYR HA 1 84 THR MG . . 4.520 3.625 3.458 3.802 . 0 0 "[ . 1 . 2]" 1
606 1 83 TYR HB2 1 84 THR H . . 3.870 3.120 2.987 3.239 . 0 0 "[ . 1 . 2]" 1
607 1 83 TYR HB2 1 84 THR MG . . 4.740 4.656 4.452 4.745 0.005 5 0 "[ . 1 . 2]" 1
608 1 83 TYR HB3 1 84 THR H . . 4.300 4.129 4.082 4.194 . 0 0 "[ . 1 . 2]" 1
609 1 83 TYR QD 1 84 THR H . . 4.440 4.014 3.721 4.178 . 0 0 "[ . 1 . 2]" 1
610 1 83 TYR QD 1 85 VAL H . . 4.570 4.083 3.705 4.487 . 0 0 "[ . 1 . 2]" 1
611 1 83 TYR QD 1 85 VAL QG . . 3.150 2.603 2.437 2.883 . 0 0 "[ . 1 . 2]" 1
612 1 83 TYR QE 1 85 VAL QG . . 3.510 3.014 2.395 3.477 . 0 0 "[ . 1 . 2]" 1
613 1 84 THR H 1 84 THR HB . . 4.140 3.104 2.929 3.218 . 0 0 "[ . 1 . 2]" 1
614 1 84 THR H 1 84 THR MG . . 3.850 1.968 1.911 2.088 . 0 0 "[ . 1 . 2]" 1
615 1 84 THR H 1 85 VAL H . . 4.490 4.369 4.257 4.476 . 0 0 "[ . 1 . 2]" 1
616 1 84 THR HA 1 84 THR MG . . 3.390 3.196 3.187 3.207 . 0 0 "[ . 1 . 2]" 1
617 1 84 THR HA 1 85 VAL H . . 2.970 2.157 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
618 1 84 THR HA 1 85 VAL QG . . 4.060 3.418 3.320 3.612 . 0 0 "[ . 1 . 2]" 1
619 1 84 THR HB 1 85 VAL H . . 4.270 4.173 3.987 4.241 . 0 0 "[ . 1 . 2]" 1
620 1 84 THR MG 1 85 VAL H . . 4.100 4.042 3.750 4.114 0.014 17 0 "[ . 1 . 2]" 1
621 1 85 VAL H 1 85 VAL HB . . 3.720 3.277 2.492 3.677 . 0 0 "[ . 1 . 2]" 1
622 1 85 VAL H 1 85 VAL QG . . 3.040 2.041 1.864 2.509 . 0 0 "[ . 1 . 2]" 1
623 1 85 VAL HA 1 85 VAL QG . . 3.060 2.194 2.055 2.297 . 0 0 "[ . 1 . 2]" 1
624 1 85 VAL HA 1 86 LEU H . . 3.190 2.144 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
625 1 85 VAL HB 1 86 LEU H . . 4.470 3.693 3.273 4.307 . 0 0 "[ . 1 . 2]" 1
626 1 85 VAL QG 1 86 LEU H . . 4.280 3.259 2.293 3.648 . 0 0 "[ . 1 . 2]" 1
627 1 85 VAL QG 1 87 GLN QE . . 4.030 3.266 1.940 4.044 0.014 4 0 "[ . 1 . 2]" 1
628 1 85 VAL QG 1 87 GLN QG . . 4.640 3.584 2.569 4.658 0.018 2 0 "[ . 1 . 2]" 1
629 1 86 LEU H 1 86 LEU MD1 . . 4.390 4.060 3.711 4.401 0.011 4 0 "[ . 1 . 2]" 1
630 1 86 LEU H 1 86 LEU QD . . 3.850 3.555 2.571 3.848 . 0 0 "[ . 1 . 2]" 1
631 1 86 LEU H 1 86 LEU MD2 . . 4.390 4.024 2.601 4.393 0.003 14 0 "[ . 1 . 2]" 1
632 1 86 LEU H 1 86 LEU HG . . 4.380 3.806 2.536 4.438 0.058 4 0 "[ . 1 . 2]" 1
633 1 86 LEU H 1 87 GLN H . . 4.570 4.304 4.155 4.477 . 0 0 "[ . 1 . 2]" 1
634 1 86 LEU HA 1 86 LEU QD . . 3.170 2.240 1.975 2.780 . 0 0 "[ . 1 . 2]" 1
635 1 86 LEU HA 1 86 LEU HG . . 4.140 2.972 2.315 3.694 . 0 0 "[ . 1 . 2]" 1
636 1 86 LEU HA 1 87 GLN H . . 3.100 2.148 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
637 1 86 LEU QB 1 87 GLN H . . 3.860 3.589 2.989 3.870 0.010 5 0 "[ . 1 . 2]" 1
638 1 86 LEU QD 1 87 GLN H . . 3.910 3.200 2.221 3.794 . 0 0 "[ . 1 . 2]" 1
639 1 87 GLN H 1 87 GLN QG . . 3.800 2.625 2.074 3.884 0.084 2 0 "[ . 1 . 2]" 1
640 1 88 ASP H 1 88 ASP HB2 . . 4.170 2.756 2.225 3.658 . 0 0 "[ . 1 . 2]" 1
641 1 88 ASP H 1 88 ASP HB3 . . 4.170 2.815 2.353 3.688 . 0 0 "[ . 1 . 2]" 1
642 1 88 ASP QB 1 89 ASN H . . 3.950 3.333 2.355 3.931 . 0 0 "[ . 1 . 2]" 1
643 1 90 PRO HA 1 91 ARG H . . 3.150 2.275 2.151 2.543 . 0 0 "[ . 1 . 2]" 1
644 1 90 PRO QB 1 91 ARG H . . 3.740 3.011 2.238 3.717 . 0 0 "[ . 1 . 2]" 1
645 1 90 PRO HB2 1 91 ARG H . . 4.560 3.177 2.277 4.029 . 0 0 "[ . 1 . 2]" 1
646 1 90 PRO HB3 1 91 ARG H . . 4.560 3.798 3.293 4.360 . 0 0 "[ . 1 . 2]" 1
647 1 91 ARG H 1 91 ARG QB . . 3.500 2.484 2.171 2.920 . 0 0 "[ . 1 . 2]" 1
648 1 91 ARG HA 1 91 ARG QD . . 3.940 3.211 1.996 3.938 . 0 0 "[ . 1 . 2]" 1
649 1 92 THR HA 1 93 ILE H . . 3.090 2.251 2.142 2.964 . 0 0 "[ . 1 . 2]" 1
650 1 93 ILE H 1 93 ILE HB . . 4.010 3.369 2.554 3.886 . 0 0 "[ . 1 . 2]" 1
651 1 93 ILE H 1 93 ILE MD . . 4.870 3.329 1.924 4.351 . 0 0 "[ . 1 . 2]" 1
652 1 93 ILE H 1 93 ILE HG12 . . 4.170 2.952 1.968 4.073 . 0 0 "[ . 1 . 2]" 1
653 1 93 ILE H 1 93 ILE QG . . 3.540 2.430 1.939 3.354 . 0 0 "[ . 1 . 2]" 1
654 1 93 ILE H 1 93 ILE HG13 . . 4.170 2.917 2.022 3.791 . 0 0 "[ . 1 . 2]" 1
655 1 93 ILE H 1 93 ILE MG . . 4.400 3.091 1.886 3.977 . 0 0 "[ . 1 . 2]" 1
656 1 93 ILE HA 1 93 ILE QG . . 3.650 3.015 2.349 3.433 . 0 0 "[ . 1 . 2]" 1
657 1 93 ILE HA 1 93 ILE MG . . 3.380 2.273 2.143 2.495 . 0 0 "[ . 1 . 2]" 1
658 1 93 ILE HA 1 94 VAL H . . 2.720 2.345 2.167 2.846 0.126 4 0 "[ . 1 . 2]" 1
659 1 93 ILE HB 1 94 VAL H . . 3.970 3.075 2.200 4.164 0.194 4 0 "[ . 1 . 2]" 1
660 1 93 ILE QG 1 94 VAL H . . 4.330 3.866 2.560 4.443 0.113 8 0 "[ . 1 . 2]" 1
661 1 93 ILE MG 1 94 VAL H . . 4.040 3.158 1.959 4.119 0.079 4 0 "[ . 1 . 2]" 1
662 1 98 TYR H 1 99 ALA HA . . 4.490 4.452 4.344 4.489 . 0 0 "[ . 1 . 2]" 1
663 1 98 TYR HA 1 99 ALA H . . 3.290 2.146 2.138 2.173 . 0 0 "[ . 1 . 2]" 1
664 1 99 ALA H 1 99 ALA MB . . 3.660 2.218 2.062 2.411 . 0 0 "[ . 1 . 2]" 1
665 1 99 ALA MB 1 100 ASP H . . 4.070 2.676 1.979 3.715 . 0 0 "[ . 1 . 2]" 1
666 1 100 ASP H 1 100 ASP QB . . 3.490 2.743 2.247 3.261 . 0 0 "[ . 1 . 2]" 1
667 1 103 THR HA 1 104 LYS H . . 3.330 2.276 2.140 2.775 . 0 0 "[ . 1 . 2]" 1
668 1 106 ARG HA 1 106 ARG QB . . 2.610 2.369 2.175 2.502 . 0 0 "[ . 1 . 2]" 1
669 1 107 ASP H 1 107 ASP QB . . 3.680 2.677 2.259 3.209 . 0 0 "[ . 1 . 2]" 1
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