NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
607465 |
5lci   |
34013 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lci
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 868
_Distance_constraint_stats_list.Viol_count 2462
_Distance_constraint_stats_list.Viol_total 2531.494
_Distance_constraint_stats_list.Viol_max 1.126
_Distance_constraint_stats_list.Viol_rms 0.0300
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0073
_Distance_constraint_stats_list.Viol_average_violations_only 0.0514
_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 17 PRO 0.001 0.001 12 0 "[ . 1 . 2]"
1 18 VAL 0.738 0.076 2 0 "[ . 1 . 2]"
1 19 GLU 3.797 0.114 1 0 "[ . 1 . 2]"
1 20 ALA 0.831 0.103 13 0 "[ . 1 . 2]"
1 21 ALA 0.115 0.043 5 0 "[ . 1 . 2]"
1 22 ILE 2.806 0.145 14 0 "[ . 1 . 2]"
1 23 ARG 2.808 0.149 19 0 "[ . 1 . 2]"
1 24 THR 0.924 0.149 19 0 "[ . 1 . 2]"
1 25 LYS 0.116 0.043 3 0 "[ . 1 . 2]"
1 26 LEU 2.781 0.142 15 0 "[ . 1 . 2]"
1 27 GLU 0.778 0.120 5 0 "[ . 1 . 2]"
1 28 GLU 1.902 0.213 16 0 "[ . 1 . 2]"
1 29 ALA 0.302 0.043 16 0 "[ . 1 . 2]"
1 30 LEU 7.448 0.686 4 3 "[ +. 1 .* -2]"
1 31 SER 1.638 0.085 15 0 "[ . 1 . 2]"
1 32 PRO 0.908 0.069 16 0 "[ . 1 . 2]"
1 33 GLU 5.608 0.207 4 0 "[ . 1 . 2]"
1 34 VAL 12.964 0.207 4 0 "[ . 1 . 2]"
1 35 LEU 2.578 0.138 5 0 "[ . 1 . 2]"
1 36 GLU 6.098 0.151 5 0 "[ . 1 . 2]"
1 37 LEU 7.075 0.163 13 0 "[ . 1 . 2]"
1 38 ARG 0.866 0.068 15 0 "[ . 1 . 2]"
1 39 ASN 2.553 0.116 14 0 "[ . 1 . 2]"
1 40 GLU 0.160 0.048 5 0 "[ . 1 . 2]"
1 41 SER 1.713 0.087 13 0 "[ . 1 . 2]"
1 42 GLY 0.576 0.087 13 0 "[ . 1 . 2]"
1 43 GLY 0.395 0.086 1 0 "[ . 1 . 2]"
1 44 HIS 2.426 0.109 1 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.883 0.076 3 0 "[ . 1 . 2]"
1 48 PRO 0.075 0.039 18 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 1.089 0.079 14 0 "[ . 1 . 2]"
1 51 GLU 1.307 0.079 14 0 "[ . 1 . 2]"
1 52 THR 1.763 0.109 10 0 "[ . 1 . 2]"
1 53 HIS 10.238 1.126 19 3 "[ * . - . +2]"
1 54 PHE 4.254 0.170 14 0 "[ . 1 . 2]"
1 55 ARG 1.137 0.102 2 0 "[ . 1 . 2]"
1 56 VAL 2.666 0.163 13 0 "[ . 1 . 2]"
1 57 ALA 4.044 0.164 4 0 "[ . 1 . 2]"
1 58 VAL 3.551 0.164 4 0 "[ . 1 . 2]"
1 59 VAL 3.429 0.145 19 0 "[ . 1 . 2]"
1 60 SER 0.632 0.106 4 0 "[ . 1 . 2]"
1 61 SER 0.384 0.041 14 0 "[ . 1 . 2]"
1 62 ARG 5.216 0.686 4 3 "[ +. 1 .* -2]"
1 63 PHE 4.895 0.309 19 0 "[ . 1 . 2]"
1 64 GLU 2.546 0.115 4 0 "[ . 1 . 2]"
1 65 GLY 0.386 0.074 12 0 "[ . 1 . 2]"
1 66 LEU 5.561 0.309 19 0 "[ . 1 . 2]"
1 67 SER 0.184 0.045 20 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.754 0.069 13 0 "[ . 1 . 2]"
1 71 ARG 2.035 0.134 10 0 "[ . 1 . 2]"
1 72 HIS 2.334 0.134 10 0 "[ . 1 . 2]"
1 73 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.814 0.092 15 0 "[ . 1 . 2]"
1 75 VAL 0.900 0.092 15 0 "[ . 1 . 2]"
1 76 HIS 3.918 0.205 17 0 "[ . 1 . 2]"
1 77 ALA 0.933 0.107 10 0 "[ . 1 . 2]"
1 78 ALA 1.070 0.121 6 0 "[ . 1 . 2]"
1 79 LEU 6.925 0.205 17 0 "[ . 1 . 2]"
1 80 ALA 3.962 0.155 7 0 "[ . 1 . 2]"
1 81 GLU 1.042 0.071 19 0 "[ . 1 . 2]"
1 82 GLU 9.424 0.798 13 1 "[ . 1 + . 2]"
1 83 LEU 6.894 0.798 13 1 "[ . 1 + . 2]"
1 84 GLY 2.307 0.102 16 0 "[ . 1 . 2]"
1 85 GLY 8.674 0.448 13 0 "[ . 1 . 2]"
1 86 PRO 3.474 0.190 5 0 "[ . 1 . 2]"
1 87 VAL 8.412 1.126 19 3 "[ * . - . +2]"
1 88 HIS 4.407 0.541 20 1 "[ . 1 . +]"
1 89 ALA 2.506 0.488 19 0 "[ . 1 . 2]"
1 90 LEU 7.754 0.541 20 1 "[ . 1 . +]"
1 91 ALA 0.703 0.102 2 0 "[ . 1 . 2]"
1 92 ILE 1.962 0.089 17 0 "[ . 1 . 2]"
1 93 GLN 0.153 0.036 7 0 "[ . 1 . 2]"
1 94 ALA 0.388 0.051 1 0 "[ . 1 . 2]"
1 95 ARG 1.527 0.077 3 0 "[ . 1 . 2]"
1 96 THR 0.750 0.066 15 0 "[ . 1 . 2]"
1 97 PRO 0.675 0.051 3 0 "[ . 1 . 2]"
1 98 ALA 1.156 0.124 7 0 "[ . 1 . 2]"
1 99 GLN 1.457 0.095 9 0 "[ . 1 . 2]"
1 100 TRP 4.849 0.171 9 0 "[ . 1 . 2]"
1 101 ARG 3.185 0.124 7 0 "[ . 1 . 2]"
1 102 GLU 0.235 0.038 11 0 "[ . 1 . 2]"
1 103 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 SER 0.043 0.031 17 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 17 PRO HB3 1 18 VAL H . . 3.780 3.330 2.849 3.781 0.001 12 0 "[ . 1 . 2]" 1
2 1 18 VAL H 1 18 VAL HB . . 3.940 3.203 2.394 3.746 . 0 0 "[ . 1 . 2]" 1
3 1 18 VAL H 1 18 VAL MG1 . . 3.890 2.172 2.011 2.329 . 0 0 "[ . 1 . 2]" 1
4 1 18 VAL H 1 18 VAL MG2 . . 4.800 2.891 2.066 3.784 . 0 0 "[ . 1 . 2]" 1
5 1 18 VAL H 1 19 GLU H . . 3.830 2.798 2.600 2.925 . 0 0 "[ . 1 . 2]" 1
6 1 18 VAL H 1 19 GLU HG2 . . 5.440 5.060 3.995 5.475 0.035 9 0 "[ . 1 . 2]" 1
7 1 18 VAL H 1 20 ALA H . . 4.980 4.559 4.341 4.895 . 0 0 "[ . 1 . 2]" 1
8 1 18 VAL HA 1 18 VAL MG1 . . 3.540 2.736 2.304 3.288 . 0 0 "[ . 1 . 2]" 1
9 1 18 VAL HA 1 21 ALA H . . 3.530 3.223 2.648 3.556 0.026 2 0 "[ . 1 . 2]" 1
10 1 18 VAL HA 1 21 ALA MB . . 3.530 2.195 2.006 2.470 . 0 0 "[ . 1 . 2]" 1
11 1 18 VAL HB 1 19 GLU H . . 4.510 4.183 4.022 4.374 . 0 0 "[ . 1 . 2]" 1
12 1 18 VAL MG1 1 22 ILE H . . 5.360 5.170 4.890 5.379 0.019 17 0 "[ . 1 . 2]" 1
13 1 18 VAL MG2 1 19 GLU H . . 3.730 3.231 2.590 3.806 0.076 2 0 "[ . 1 . 2]" 1
14 1 18 VAL MG2 1 19 GLU HA . . 4.100 3.615 3.200 3.859 . 0 0 "[ . 1 . 2]" 1
15 1 18 VAL MG2 1 21 ALA H . . 5.350 4.946 4.498 5.183 . 0 0 "[ . 1 . 2]" 1
16 1 18 VAL MG2 1 22 ILE MD . . 4.230 3.961 3.546 4.265 0.035 1 0 "[ . 1 . 2]" 1
17 1 19 GLU H 1 19 GLU HB2 . . 4.010 3.589 3.456 3.719 . 0 0 "[ . 1 . 2]" 1
18 1 19 GLU H 1 19 GLU HB3 . . 3.330 2.481 2.157 3.338 0.008 2 0 "[ . 1 . 2]" 1
19 1 19 GLU H 1 19 GLU HG2 . . 3.910 2.765 2.181 3.265 . 0 0 "[ . 1 . 2]" 1
20 1 19 GLU H 1 19 GLU HG3 . . 4.850 3.624 1.833 4.206 . 0 0 "[ . 1 . 2]" 1
21 1 19 GLU H 1 20 ALA H . . 3.860 2.440 2.312 2.647 . 0 0 "[ . 1 . 2]" 1
22 1 19 GLU H 1 20 ALA HA . . 5.410 5.180 5.056 5.321 . 0 0 "[ . 1 . 2]" 1
23 1 19 GLU H 1 21 ALA H . . 5.420 3.687 3.410 3.927 . 0 0 "[ . 1 . 2]" 1
24 1 19 GLU H 1 37 LEU MD1 . . 4.970 4.902 4.442 5.032 0.062 15 0 "[ . 1 . 2]" 1
25 1 19 GLU H 1 39 ASN HD21 . . 5.500 5.231 4.659 5.557 0.057 19 0 "[ . 1 . 2]" 1
26 1 19 GLU H 1 54 PHE QE . . 4.900 4.073 3.402 4.901 0.001 16 0 "[ . 1 . 2]" 1
27 1 19 GLU H 1 54 PHE HZ . . 4.680 4.293 3.128 4.712 0.032 15 0 "[ . 1 . 2]" 1
28 1 19 GLU HA 1 19 GLU HG2 . . 4.090 3.778 3.557 4.122 0.032 3 0 "[ . 1 . 2]" 1
29 1 19 GLU HA 1 19 GLU HG3 . . 4.140 3.708 3.396 4.148 0.008 9 0 "[ . 1 . 2]" 1
30 1 19 GLU HA 1 22 ILE H . . 4.880 3.388 3.156 3.729 . 0 0 "[ . 1 . 2]" 1
31 1 19 GLU HA 1 22 ILE MD . . 4.500 3.908 2.449 4.542 0.042 9 0 "[ . 1 . 2]" 1
32 1 19 GLU HA 1 22 ILE MG . . 4.780 2.871 1.978 3.975 . 0 0 "[ . 1 . 2]" 1
33 1 19 GLU HA 1 23 ARG H . . 4.630 3.874 3.645 4.207 . 0 0 "[ . 1 . 2]" 1
34 1 19 GLU HA 1 54 PHE QE . . 4.800 3.154 2.400 3.563 . 0 0 "[ . 1 . 2]" 1
35 1 19 GLU HA 1 54 PHE HZ . . 4.540 2.393 1.995 3.936 . 0 0 "[ . 1 . 2]" 1
36 1 19 GLU HB2 1 20 ALA H . . 4.500 3.947 2.827 4.328 . 0 0 "[ . 1 . 2]" 1
37 1 19 GLU HB2 1 54 PHE QE . . 3.620 2.776 2.255 3.666 0.046 2 0 "[ . 1 . 2]" 1
38 1 19 GLU HB3 1 20 ALA H . . 3.760 3.780 3.569 3.863 0.103 13 0 "[ . 1 . 2]" 1
39 1 19 GLU HG3 1 20 ALA H . . 4.470 3.188 1.737 3.977 . 0 0 "[ . 1 . 2]" 1
40 1 19 GLU HG3 1 37 LEU MD1 . . 4.250 3.826 3.239 4.356 0.106 14 0 "[ . 1 . 2]" 1
41 1 19 GLU HG3 1 54 PHE QE . . 4.420 4.479 4.431 4.534 0.114 1 0 "[ . 1 . 2]" 1
42 1 20 ALA H 1 20 ALA MB . . 3.270 2.200 2.105 2.235 . 0 0 "[ . 1 . 2]" 1
43 1 20 ALA H 1 21 ALA H . . 3.910 2.568 2.361 3.002 . 0 0 "[ . 1 . 2]" 1
44 1 20 ALA HA 1 23 ARG H . . 4.920 3.456 3.070 3.838 . 0 0 "[ . 1 . 2]" 1
45 1 20 ALA MB 1 21 ALA H . . 3.640 2.624 2.510 2.782 . 0 0 "[ . 1 . 2]" 1
46 1 21 ALA H 1 21 ALA MB . . 3.210 2.227 2.193 2.263 . 0 0 "[ . 1 . 2]" 1
47 1 21 ALA H 1 22 ILE H . . 4.020 2.915 2.836 3.021 . 0 0 "[ . 1 . 2]" 1
48 1 21 ALA MB 1 22 ILE H . . 3.730 2.468 2.178 2.640 . 0 0 "[ . 1 . 2]" 1
49 1 21 ALA MB 1 22 ILE MD . . 5.390 5.105 4.549 5.433 0.043 5 0 "[ . 1 . 2]" 1
50 1 22 ILE H 1 22 ILE HB . . 3.840 2.471 2.239 3.781 . 0 0 "[ . 1 . 2]" 1
51 1 22 ILE H 1 22 ILE MD . . 4.620 4.122 3.496 4.442 . 0 0 "[ . 1 . 2]" 1
52 1 22 ILE H 1 22 ILE HG12 . . 4.630 4.114 2.360 4.637 0.007 9 0 "[ . 1 . 2]" 1
53 1 22 ILE H 1 22 ILE MG . . 4.200 2.887 2.118 3.771 . 0 0 "[ . 1 . 2]" 1
54 1 22 ILE H 1 23 ARG H . . 4.430 2.878 2.759 3.000 . 0 0 "[ . 1 . 2]" 1
55 1 22 ILE HA 1 22 ILE MD . . 4.720 3.783 3.625 4.171 . 0 0 "[ . 1 . 2]" 1
56 1 22 ILE HA 1 22 ILE HG12 . . 3.400 2.710 2.108 3.545 0.145 14 0 "[ . 1 . 2]" 1
57 1 22 ILE HA 1 22 ILE QG . . 3.520 2.312 2.054 3.193 . 0 0 "[ . 1 . 2]" 1
58 1 22 ILE HA 1 25 LYS H . . 5.180 3.327 2.822 3.675 . 0 0 "[ . 1 . 2]" 1
59 1 22 ILE HA 1 26 LEU MD2 . . 3.500 2.562 2.076 3.481 . 0 0 "[ . 1 . 2]" 1
60 1 22 ILE HA 1 26 LEU HG . . 5.060 4.613 4.210 5.122 0.062 15 0 "[ . 1 . 2]" 1
61 1 22 ILE HB 1 22 ILE MD . . 3.710 2.476 2.335 2.707 . 0 0 "[ . 1 . 2]" 1
62 1 22 ILE HB 1 23 ARG H . . 3.790 3.513 2.746 3.903 0.113 14 0 "[ . 1 . 2]" 1
63 1 22 ILE HB 1 26 LEU MD2 . . 4.080 3.901 2.030 4.132 0.052 11 0 "[ . 1 . 2]" 1
64 1 22 ILE MD 1 22 ILE MG . . 3.850 2.036 1.989 2.088 . 0 0 "[ . 1 . 2]" 1
65 1 22 ILE MD 1 23 ARG H . . 5.400 4.685 3.748 4.996 . 0 0 "[ . 1 . 2]" 1
66 1 22 ILE MD 1 26 LEU HB2 . . 5.500 5.103 4.495 5.534 0.034 19 0 "[ . 1 . 2]" 1
67 1 22 ILE MD 1 26 LEU MD2 . . 3.820 3.203 2.486 3.746 . 0 0 "[ . 1 . 2]" 1
68 1 22 ILE MD 1 35 LEU MD2 . . 4.650 4.521 3.701 4.695 0.045 5 0 "[ . 1 . 2]" 1
69 1 22 ILE MD 1 37 LEU MD1 . . 4.560 3.156 2.058 4.567 0.007 13 0 "[ . 1 . 2]" 1
70 1 22 ILE MD 1 54 PHE QD . . 4.740 3.470 2.950 4.053 . 0 0 "[ . 1 . 2]" 1
71 1 22 ILE MD 1 54 PHE QE . . 4.520 2.569 2.019 4.276 . 0 0 "[ . 1 . 2]" 1
72 1 22 ILE MD 1 54 PHE HZ . . 5.350 3.686 2.220 5.055 . 0 0 "[ . 1 . 2]" 1
73 1 22 ILE MD 1 83 LEU HG . . 4.190 3.127 2.276 4.216 0.026 1 0 "[ . 1 . 2]" 1
74 1 22 ILE MD 1 90 LEU MD1 . . 4.870 3.541 2.087 4.474 . 0 0 "[ . 1 . 2]" 1
75 1 22 ILE MD 1 90 LEU QD . . 4.630 3.464 2.077 4.392 . 0 0 "[ . 1 . 2]" 1
76 1 22 ILE QG 1 23 ARG H . . 4.380 3.974 2.056 4.416 0.036 4 0 "[ . 1 . 2]" 1
77 1 22 ILE QG 1 26 LEU MD2 . . 3.140 2.288 1.984 3.205 0.065 14 0 "[ . 1 . 2]" 1
78 1 22 ILE QG 1 26 LEU HG . . 4.270 3.188 2.306 4.269 . 0 0 "[ . 1 . 2]" 1
79 1 22 ILE MG 1 23 ARG H . . 4.430 2.564 1.999 4.151 . 0 0 "[ . 1 . 2]" 1
80 1 22 ILE MG 1 26 LEU HG . . 4.740 3.643 2.299 4.805 0.065 14 0 "[ . 1 . 2]" 1
81 1 22 ILE MG 1 54 PHE QE . . 5.500 3.160 2.164 5.380 . 0 0 "[ . 1 . 2]" 1
82 1 23 ARG H 1 23 ARG QB . . 3.540 2.367 2.135 2.784 . 0 0 "[ . 1 . 2]" 1
83 1 23 ARG H 1 26 LEU MD2 . . 5.120 4.777 3.779 5.075 . 0 0 "[ . 1 . 2]" 1
84 1 23 ARG H 1 35 LEU MD2 . . 4.390 4.379 4.187 4.427 0.037 12 0 "[ . 1 . 2]" 1
85 1 23 ARG HA 1 23 ARG HD3 . . 4.110 4.013 3.355 4.237 0.127 7 0 "[ . 1 . 2]" 1
86 1 23 ARG HA 1 23 ARG HG2 . . 3.690 2.665 2.294 3.641 . 0 0 "[ . 1 . 2]" 1
87 1 23 ARG HA 1 23 ARG HG3 . . 3.890 3.223 2.301 3.836 . 0 0 "[ . 1 . 2]" 1
88 1 23 ARG HA 1 35 LEU MD1 . . 3.630 2.871 1.993 3.638 0.008 14 0 "[ . 1 . 2]" 1
89 1 23 ARG HA 1 35 LEU MD2 . . 3.700 2.792 2.276 3.719 0.019 9 0 "[ . 1 . 2]" 1
90 1 23 ARG QB 1 24 THR H . . 3.450 2.315 2.145 2.529 . 0 0 "[ . 1 . 2]" 1
91 1 23 ARG HD2 1 24 THR H . . 5.500 4.551 2.689 5.534 0.034 7 0 "[ . 1 . 2]" 1
92 1 23 ARG HD3 1 35 LEU MD1 . . 4.710 3.643 2.148 4.747 0.037 20 0 "[ . 1 . 2]" 1
93 1 23 ARG HG3 1 24 THR H . . 4.400 4.414 4.224 4.549 0.149 19 0 "[ . 1 . 2]" 1
94 1 24 THR H 1 24 THR HB . . 3.270 2.538 2.117 2.812 . 0 0 "[ . 1 . 2]" 1
95 1 24 THR H 1 24 THR MG . . 4.120 3.779 3.539 3.869 . 0 0 "[ . 1 . 2]" 1
96 1 24 THR H 1 25 LYS H . . 3.640 2.981 2.832 3.158 . 0 0 "[ . 1 . 2]" 1
97 1 24 THR HA 1 24 THR MG . . 3.250 2.473 2.309 2.992 . 0 0 "[ . 1 . 2]" 1
98 1 24 THR HA 1 27 GLU HB2 . . 3.240 2.763 2.412 3.257 0.017 5 0 "[ . 1 . 2]" 1
99 1 24 THR HB 1 25 LYS H . . 3.480 2.686 2.420 3.227 . 0 0 "[ . 1 . 2]" 1
100 1 24 THR MG 1 25 LYS H . . 4.480 3.388 2.568 3.704 . 0 0 "[ . 1 . 2]" 1
101 1 24 THR MG 1 25 LYS HA . . 4.260 3.539 3.090 3.836 . 0 0 "[ . 1 . 2]" 1
102 1 25 LYS H 1 25 LYS QB . . 3.220 2.257 2.123 2.517 . 0 0 "[ . 1 . 2]" 1
103 1 25 LYS H 1 25 LYS QG . . 4.060 3.460 2.307 4.103 0.043 3 0 "[ . 1 . 2]" 1
104 1 25 LYS H 1 26 LEU MD2 . . 5.190 4.008 3.742 5.049 . 0 0 "[ . 1 . 2]" 1
105 1 25 LYS HA 1 25 LYS QG . . 3.880 2.682 2.280 3.126 . 0 0 "[ . 1 . 2]" 1
106 1 25 LYS QB 1 26 LEU H . . 4.610 2.740 2.183 2.983 . 0 0 "[ . 1 . 2]" 1
107 1 25 LYS QB 1 26 LEU MD2 . . 4.000 2.557 2.245 4.038 0.038 15 0 "[ . 1 . 2]" 1
108 1 25 LYS HE2 1 25 LYS QG . . 3.800 2.588 2.179 3.351 . 0 0 "[ . 1 . 2]" 1
109 1 26 LEU H 1 26 LEU HB2 . . 3.070 2.326 2.189 3.212 0.142 15 0 "[ . 1 . 2]" 1
110 1 26 LEU H 1 26 LEU HB3 . . 4.130 3.459 1.961 3.583 . 0 0 "[ . 1 . 2]" 1
111 1 26 LEU H 1 26 LEU MD1 . . 4.430 4.009 3.705 4.127 . 0 0 "[ . 1 . 2]" 1
112 1 26 LEU H 1 26 LEU MD2 . . 3.970 2.401 2.250 3.287 . 0 0 "[ . 1 . 2]" 1
113 1 26 LEU H 1 26 LEU HG . . 3.760 3.759 3.079 3.848 0.088 13 0 "[ . 1 . 2]" 1
114 1 26 LEU HA 1 26 LEU MD1 . . 3.270 2.279 2.076 3.221 . 0 0 "[ . 1 . 2]" 1
115 1 26 LEU HA 1 29 ALA H . . 3.580 2.759 2.412 3.016 . 0 0 "[ . 1 . 2]" 1
116 1 26 LEU HB3 1 26 LEU MD2 . . 3.640 3.245 2.191 3.317 . 0 0 "[ . 1 . 2]" 1
117 1 26 LEU MD1 1 29 ALA H . . 5.500 4.415 4.132 4.818 . 0 0 "[ . 1 . 2]" 1
118 1 26 LEU MD1 1 30 LEU H . . 4.510 4.052 3.660 4.356 . 0 0 "[ . 1 . 2]" 1
119 1 26 LEU MD1 1 31 SER H . . 5.500 5.471 4.923 5.566 0.066 13 0 "[ . 1 . 2]" 1
120 1 26 LEU MD1 1 83 LEU H . . 5.360 5.236 4.079 5.433 0.073 15 0 "[ . 1 . 2]" 1
121 1 26 LEU MD2 1 83 LEU H . . 5.470 4.536 3.854 5.415 . 0 0 "[ . 1 . 2]" 1
122 1 27 GLU H 1 27 GLU HB2 . . 3.570 2.303 2.100 2.417 . 0 0 "[ . 1 . 2]" 1
123 1 27 GLU H 1 27 GLU HB3 . . 3.610 3.407 2.548 3.618 0.008 17 0 "[ . 1 . 2]" 1
124 1 27 GLU H 1 27 GLU HG2 . . 4.200 3.875 2.668 4.320 0.120 5 0 "[ . 1 . 2]" 1
125 1 27 GLU H 1 28 GLU H . . 3.430 2.819 2.652 2.975 . 0 0 "[ . 1 . 2]" 1
126 1 27 GLU HA 1 27 GLU HG2 . . 4.160 2.469 2.124 3.784 . 0 0 "[ . 1 . 2]" 1
127 1 27 GLU HA 1 27 GLU HG3 . . 3.650 2.936 2.591 3.655 0.005 19 0 "[ . 1 . 2]" 1
128 1 27 GLU HB2 1 28 GLU H . . 3.400 3.017 2.541 3.493 0.093 16 0 "[ . 1 . 2]" 1
129 1 27 GLU HG3 1 28 GLU H . . 5.310 4.801 3.796 5.202 . 0 0 "[ . 1 . 2]" 1
130 1 28 GLU H 1 28 GLU HB2 . . 3.380 2.564 1.872 3.139 . 0 0 "[ . 1 . 2]" 1
131 1 28 GLU H 1 28 GLU HB3 . . 2.950 2.435 1.983 3.163 0.213 16 0 "[ . 1 . 2]" 1
132 1 28 GLU H 1 28 GLU HG2 . . 3.840 3.900 3.838 4.007 0.167 3 0 "[ . 1 . 2]" 1
133 1 28 GLU H 1 28 GLU HG3 . . 4.930 4.310 2.844 4.507 . 0 0 "[ . 1 . 2]" 1
134 1 28 GLU HA 1 28 GLU HG2 . . 3.770 3.071 2.068 3.772 0.002 4 0 "[ . 1 . 2]" 1
135 1 29 ALA H 1 29 ALA MB . . 3.380 2.210 2.169 2.260 . 0 0 "[ . 1 . 2]" 1
136 1 29 ALA MB 1 31 SER H . . 4.840 4.256 4.068 4.426 . 0 0 "[ . 1 . 2]" 1
137 1 29 ALA MB 1 32 PRO HD3 . . 4.880 4.884 4.744 4.923 0.043 16 0 "[ . 1 . 2]" 1
138 1 30 LEU H 1 30 LEU HB2 . . 3.870 3.881 3.827 3.903 0.033 20 0 "[ . 1 . 2]" 1
139 1 30 LEU H 1 30 LEU HB3 . . 4.150 3.210 2.983 3.501 . 0 0 "[ . 1 . 2]" 1
140 1 30 LEU H 1 30 LEU MD1 . . 4.340 3.815 3.339 4.276 . 0 0 "[ . 1 . 2]" 1
141 1 30 LEU H 1 30 LEU MD2 . . 4.510 3.058 2.160 3.971 . 0 0 "[ . 1 . 2]" 1
142 1 30 LEU H 1 30 LEU HG . . 2.950 2.561 2.260 2.957 0.007 4 0 "[ . 1 . 2]" 1
143 1 30 LEU H 1 31 SER H . . 3.200 2.077 1.905 2.313 . 0 0 "[ . 1 . 2]" 1
144 1 30 LEU H 1 31 SER HA . . 4.200 4.232 4.116 4.285 0.085 15 0 "[ . 1 . 2]" 1
145 1 30 LEU H 1 32 PRO HD3 . . 4.160 3.237 2.886 3.465 . 0 0 "[ . 1 . 2]" 1
146 1 30 LEU H 1 62 ARG QD . . 5.500 5.295 4.648 5.543 0.043 10 0 "[ . 1 . 2]" 1
147 1 30 LEU HA 1 30 LEU MD2 . . 3.680 3.763 3.686 3.812 0.132 2 0 "[ . 1 . 2]" 1
148 1 30 LEU HB2 1 30 LEU MD2 . . 3.620 2.710 2.236 3.141 . 0 0 "[ . 1 . 2]" 1
149 1 30 LEU HB2 1 31 SER H . . 4.750 4.334 4.117 4.451 . 0 0 "[ . 1 . 2]" 1
150 1 30 LEU HB2 1 62 ARG QD . . 4.010 2.351 1.978 2.753 . 0 0 "[ . 1 . 2]" 1
151 1 30 LEU HB3 1 31 SER H . . 5.500 4.440 4.213 4.591 . 0 0 "[ . 1 . 2]" 1
152 1 30 LEU HB3 1 32 PRO HD3 . . 5.260 5.186 5.021 5.295 0.035 2 0 "[ . 1 . 2]" 1
153 1 30 LEU MD1 1 32 PRO HA . . 4.720 2.891 2.334 3.805 . 0 0 "[ . 1 . 2]" 1
154 1 30 LEU MD1 1 32 PRO HD2 . . 5.060 4.331 3.773 5.069 0.009 11 0 "[ . 1 . 2]" 1
155 1 30 LEU MD1 1 32 PRO HD3 . . 5.500 3.080 2.277 3.884 . 0 0 "[ . 1 . 2]" 1
156 1 30 LEU MD1 1 32 PRO QG . . 4.930 2.618 2.158 3.417 . 0 0 "[ . 1 . 2]" 1
157 1 30 LEU MD1 1 61 SER H . . 5.240 5.161 4.815 5.268 0.028 3 0 "[ . 1 . 2]" 1
158 1 30 LEU MD1 1 62 ARG H . . 4.880 4.201 3.671 4.821 . 0 0 "[ . 1 . 2]" 1
159 1 30 LEU MD1 1 62 ARG QD . . 3.980 3.434 2.657 4.006 0.026 8 0 "[ . 1 . 2]" 1
160 1 30 LEU MD1 1 63 PHE HZ . . 3.610 2.715 2.179 3.230 . 0 0 "[ . 1 . 2]" 1
161 1 30 LEU MD2 1 62 ARG QD . . 4.220 4.195 3.264 4.906 0.686 4 3 "[ +. 1 .* -2]" 1
162 1 30 LEU MD2 1 63 PHE QD . . 5.500 4.749 3.780 5.756 0.256 7 0 "[ . 1 . 2]" 1
163 1 30 LEU MD2 1 63 PHE QE . . 3.980 3.038 2.231 3.994 0.014 11 0 "[ . 1 . 2]" 1
164 1 30 LEU MD2 1 63 PHE HZ . . 4.660 2.925 2.159 3.889 . 0 0 "[ . 1 . 2]" 1
165 1 30 LEU HG 1 32 PRO HD3 . . 3.670 2.848 2.204 3.672 0.002 1 0 "[ . 1 . 2]" 1
166 1 31 SER H 1 31 SER HA . . 2.870 2.274 2.231 2.328 . 0 0 "[ . 1 . 2]" 1
167 1 31 SER H 1 31 SER HB2 . . 3.960 3.612 2.962 4.023 0.063 10 0 "[ . 1 . 2]" 1
168 1 31 SER H 1 31 SER HB3 . . 4.130 3.660 2.881 4.097 . 0 0 "[ . 1 . 2]" 1
169 1 31 SER H 1 32 PRO HD3 . . 3.350 2.513 2.192 2.814 . 0 0 "[ . 1 . 2]" 1
170 1 31 SER HA 1 31 SER HB3 . . 2.900 2.463 2.170 2.982 0.082 14 0 "[ . 1 . 2]" 1
171 1 31 SER HA 1 32 PRO HD3 . . 3.090 2.663 2.431 3.093 0.003 20 0 "[ . 1 . 2]" 1
172 1 32 PRO HA 1 33 GLU H . . 3.140 2.343 2.219 2.480 . 0 0 "[ . 1 . 2]" 1
173 1 32 PRO HA 1 60 SER HB2 . . 4.390 2.234 2.017 2.596 . 0 0 "[ . 1 . 2]" 1
174 1 32 PRO HB3 1 60 SER HB2 . . 3.690 3.590 3.029 3.759 0.069 16 0 "[ . 1 . 2]" 1
175 1 33 GLU H 1 33 GLU HB2 . . 3.790 2.477 2.283 3.061 . 0 0 "[ . 1 . 2]" 1
176 1 33 GLU H 1 33 GLU HG2 . . 4.510 4.466 2.153 4.629 0.119 18 0 "[ . 1 . 2]" 1
177 1 33 GLU H 1 34 VAL H . . 3.240 2.256 2.030 2.581 . 0 0 "[ . 1 . 2]" 1
178 1 33 GLU H 1 34 VAL MG2 . . 5.290 4.093 3.430 5.124 . 0 0 "[ . 1 . 2]" 1
179 1 33 GLU H 1 60 SER HA . . 3.890 2.450 2.191 2.854 . 0 0 "[ . 1 . 2]" 1
180 1 33 GLU H 1 60 SER HB2 . . 3.650 3.123 2.370 3.657 0.007 20 0 "[ . 1 . 2]" 1
181 1 33 GLU H 1 61 SER H . . 5.190 4.260 3.889 4.755 . 0 0 "[ . 1 . 2]" 1
182 1 33 GLU HA 1 33 GLU HG2 . . 3.540 3.510 2.287 3.641 0.101 1 0 "[ . 1 . 2]" 1
183 1 33 GLU HA 1 34 VAL MG2 . . 5.020 4.613 3.960 5.189 0.169 9 0 "[ . 1 . 2]" 1
184 1 33 GLU HB2 1 34 VAL H . . 3.630 3.555 2.404 3.696 0.066 20 0 "[ . 1 . 2]" 1
185 1 33 GLU HB2 1 34 VAL MG1 . . 5.360 4.879 3.062 5.412 0.052 11 0 "[ . 1 . 2]" 1
186 1 33 GLU HB2 1 34 VAL MG2 . . 4.760 4.264 1.851 4.801 0.041 9 0 "[ . 1 . 2]" 1
187 1 33 GLU HB2 1 60 SER H . . 5.500 4.948 4.338 5.606 0.106 4 0 "[ . 1 . 2]" 1
188 1 33 GLU HB2 1 60 SER HA . . 4.640 2.848 1.980 4.259 . 0 0 "[ . 1 . 2]" 1
189 1 33 GLU HB3 1 34 VAL H . . 3.700 2.699 2.248 3.775 0.075 4 0 "[ . 1 . 2]" 1
190 1 33 GLU HB3 1 34 VAL MG1 . . 3.860 3.533 2.144 3.970 0.110 11 0 "[ . 1 . 2]" 1
191 1 33 GLU HB3 1 61 SER H . . 5.500 5.190 4.684 5.531 0.031 4 0 "[ . 1 . 2]" 1
192 1 33 GLU HG2 1 34 VAL MG1 . . 4.400 4.377 3.552 4.607 0.207 4 0 "[ . 1 . 2]" 1
193 1 33 GLU HG2 1 34 VAL MG2 . . 5.500 4.227 2.479 5.515 0.015 9 0 "[ . 1 . 2]" 1
194 1 33 GLU HG3 1 34 VAL H . . 4.810 4.416 3.882 4.818 0.008 5 0 "[ . 1 . 2]" 1
195 1 33 GLU HG3 1 34 VAL MG1 . . 4.500 4.151 3.586 4.582 0.082 2 0 "[ . 1 . 2]" 1
196 1 34 VAL H 1 34 VAL HB . . 3.780 3.449 2.640 3.867 0.087 19 0 "[ . 1 . 2]" 1
197 1 34 VAL H 1 34 VAL MG1 . . 4.230 3.347 2.054 3.899 . 0 0 "[ . 1 . 2]" 1
198 1 34 VAL H 1 34 VAL MG2 . . 4.250 2.520 1.886 3.736 . 0 0 "[ . 1 . 2]" 1
199 1 34 VAL H 1 35 LEU H . . 4.580 4.300 2.279 4.548 . 0 0 "[ . 1 . 2]" 1
200 1 34 VAL H 1 35 LEU MD2 . . 5.500 5.518 5.267 5.638 0.138 5 0 "[ . 1 . 2]" 1
201 1 34 VAL H 1 59 VAL HB . . 3.590 3.278 2.604 3.735 0.145 19 0 "[ . 1 . 2]" 1
202 1 34 VAL H 1 59 VAL QG . . 4.700 2.997 2.042 3.818 . 0 0 "[ . 1 . 2]" 1
203 1 34 VAL H 1 60 SER HA . . 5.010 4.166 3.770 4.523 . 0 0 "[ . 1 . 2]" 1
204 1 34 VAL HA 1 34 VAL MG1 . . 3.420 2.461 2.011 3.070 . 0 0 "[ . 1 . 2]" 1
205 1 34 VAL HA 1 34 VAL MG2 . . 3.500 2.941 2.226 3.207 . 0 0 "[ . 1 . 2]" 1
206 1 34 VAL HA 1 35 LEU H . . 2.830 2.257 2.045 2.967 0.137 9 0 "[ . 1 . 2]" 1
207 1 34 VAL HB 1 35 LEU HA . . 5.360 3.941 2.958 5.391 0.031 1 0 "[ . 1 . 2]" 1
208 1 34 VAL HB 1 59 VAL MG1 . . 4.120 3.676 2.886 4.219 0.099 9 0 "[ . 1 . 2]" 1
209 1 34 VAL HB 1 59 VAL QG . . 4.350 3.319 2.109 4.069 . 0 0 "[ . 1 . 2]" 1
210 1 34 VAL MG1 1 35 LEU H . . 3.590 3.107 2.234 3.682 0.092 9 0 "[ . 1 . 2]" 1
211 1 34 VAL MG1 1 35 LEU HA . . 4.360 4.153 2.943 4.457 0.097 13 0 "[ . 1 . 2]" 1
212 1 34 VAL MG1 1 36 GLU H . . 4.780 4.760 4.154 4.927 0.147 9 0 "[ . 1 . 2]" 1
213 1 34 VAL MG1 1 36 GLU HG3 . . 4.360 3.468 2.975 4.280 . 0 0 "[ . 1 . 2]" 1
214 1 34 VAL MG1 1 59 VAL H . . 4.560 4.207 2.791 4.671 0.111 2 0 "[ . 1 . 2]" 1
215 1 34 VAL MG1 1 59 VAL MG1 . . 3.660 2.858 1.955 3.694 0.034 2 0 "[ . 1 . 2]" 1
216 1 34 VAL MG1 1 59 VAL QG . . 3.610 2.486 1.927 3.341 . 0 0 "[ . 1 . 2]" 1
217 1 34 VAL MG1 1 97 PRO QB . . 5.180 5.125 4.372 5.209 0.029 16 0 "[ . 1 . 2]" 1
218 1 34 VAL MG1 1 100 TRP HB2 . . 4.080 4.111 3.594 4.181 0.101 4 0 "[ . 1 . 2]" 1
219 1 34 VAL MG1 1 100 TRP HB3 . . 4.150 4.055 3.361 4.193 0.043 20 0 "[ . 1 . 2]" 1
220 1 34 VAL MG1 1 100 TRP HD1 . . 4.400 3.331 2.416 3.888 . 0 0 "[ . 1 . 2]" 1
221 1 34 VAL MG1 1 100 TRP HE1 . . 4.860 2.790 2.317 3.336 . 0 0 "[ . 1 . 2]" 1
222 1 34 VAL MG1 1 100 TRP HE3 . . 5.190 4.210 3.936 4.388 . 0 0 "[ . 1 . 2]" 1
223 1 34 VAL MG1 1 100 TRP HH2 . . 5.410 3.874 3.525 4.575 . 0 0 "[ . 1 . 2]" 1
224 1 34 VAL MG1 1 100 TRP HZ2 . . 4.110 2.883 2.540 3.679 . 0 0 "[ . 1 . 2]" 1
225 1 34 VAL MG1 1 100 TRP HZ3 . . 4.460 4.444 4.006 4.578 0.118 9 0 "[ . 1 . 2]" 1
226 1 34 VAL MG2 1 35 LEU H . . 4.550 3.624 2.585 4.517 . 0 0 "[ . 1 . 2]" 1
227 1 34 VAL MG2 1 59 VAL MG1 . . 4.330 2.446 1.910 4.071 . 0 0 "[ . 1 . 2]" 1
228 1 34 VAL MG2 1 59 VAL QG . . 4.170 2.300 1.883 3.580 . 0 0 "[ . 1 . 2]" 1
229 1 34 VAL MG2 1 100 TRP HD1 . . 4.320 4.019 3.308 4.491 0.171 9 0 "[ . 1 . 2]" 1
230 1 34 VAL MG2 1 100 TRP HE1 . . 4.490 3.936 2.667 4.490 0.000 13 0 "[ . 1 . 2]" 1
231 1 34 VAL MG2 1 100 TRP HH2 . . 5.480 4.575 3.396 5.516 0.036 1 0 "[ . 1 . 2]" 1
232 1 34 VAL MG2 1 100 TRP HZ2 . . 4.360 4.128 3.272 4.450 0.090 15 0 "[ . 1 . 2]" 1
233 1 35 LEU H 1 35 LEU HB2 . . 4.060 3.494 2.494 4.070 0.010 17 0 "[ . 1 . 2]" 1
234 1 35 LEU H 1 35 LEU HB3 . . 4.010 3.534 2.733 3.992 . 0 0 "[ . 1 . 2]" 1
235 1 35 LEU H 1 35 LEU MD1 . . 5.350 3.381 2.627 4.448 . 0 0 "[ . 1 . 2]" 1
236 1 35 LEU H 1 35 LEU MD2 . . 4.990 4.367 2.414 4.815 . 0 0 "[ . 1 . 2]" 1
237 1 35 LEU H 1 36 GLU H . . 4.590 4.092 3.828 4.443 . 0 0 "[ . 1 . 2]" 1
238 1 35 LEU HA 1 35 LEU MD1 . . 4.500 3.602 2.993 4.006 . 0 0 "[ . 1 . 2]" 1
239 1 35 LEU HA 1 36 GLU H . . 3.060 2.171 1.983 2.307 . 0 0 "[ . 1 . 2]" 1
240 1 35 LEU HB3 1 36 GLU H . . 4.650 3.876 2.712 4.601 . 0 0 "[ . 1 . 2]" 1
241 1 35 LEU HG 1 36 GLU H . . 5.500 5.173 4.378 5.420 . 0 0 "[ . 1 . 2]" 1
242 1 36 GLU H 1 36 GLU HB2 . . 3.760 2.785 2.586 2.934 . 0 0 "[ . 1 . 2]" 1
243 1 36 GLU H 1 36 GLU HB3 . . 3.780 3.841 3.772 3.892 0.112 4 0 "[ . 1 . 2]" 1
244 1 36 GLU H 1 36 GLU HG2 . . 4.440 3.782 3.224 4.174 . 0 0 "[ . 1 . 2]" 1
245 1 36 GLU H 1 56 VAL HA . . 5.380 5.049 4.759 5.376 . 0 0 "[ . 1 . 2]" 1
246 1 36 GLU H 1 56 VAL MG1 . . 3.710 3.768 3.723 3.806 0.096 9 0 "[ . 1 . 2]" 1
247 1 36 GLU H 1 57 ALA MB . . 4.010 2.857 2.621 3.482 . 0 0 "[ . 1 . 2]" 1
248 1 36 GLU HA 1 36 GLU HG3 . . 4.110 3.437 3.249 3.710 . 0 0 "[ . 1 . 2]" 1
249 1 36 GLU HA 1 37 LEU H . . 3.090 2.111 1.901 2.251 . 0 0 "[ . 1 . 2]" 1
250 1 36 GLU HA 1 37 LEU HB3 . . 5.220 4.058 3.700 4.622 . 0 0 "[ . 1 . 2]" 1
251 1 36 GLU HA 1 57 ALA H . . 5.010 4.848 4.752 4.921 . 0 0 "[ . 1 . 2]" 1
252 1 36 GLU HB2 1 37 LEU H . . 4.020 4.106 4.043 4.171 0.151 5 0 "[ . 1 . 2]" 1
253 1 36 GLU HB3 1 57 ALA MB . . 4.040 3.835 2.892 4.064 0.024 10 0 "[ . 1 . 2]" 1
254 1 36 GLU HG2 1 37 LEU H . . 4.380 4.381 4.199 4.464 0.084 3 0 "[ . 1 . 2]" 1
255 1 36 GLU HG2 1 57 ALA MB . . 4.940 4.940 4.686 4.995 0.055 4 0 "[ . 1 . 2]" 1
256 1 37 LEU H 1 37 LEU HB2 . . 4.070 4.018 3.951 4.090 0.020 13 0 "[ . 1 . 2]" 1
257 1 37 LEU H 1 37 LEU HB3 . . 3.580 3.197 3.065 3.550 . 0 0 "[ . 1 . 2]" 1
258 1 37 LEU H 1 37 LEU HG . . 4.720 3.783 2.470 4.106 . 0 0 "[ . 1 . 2]" 1
259 1 37 LEU H 1 56 VAL HA . . 5.080 4.976 4.777 5.088 0.008 7 0 "[ . 1 . 2]" 1
260 1 37 LEU HA 1 37 LEU MD2 . . 3.560 3.587 3.565 3.701 0.141 13 0 "[ . 1 . 2]" 1
261 1 37 LEU HA 1 37 LEU HG . . 4.230 3.637 3.469 3.803 . 0 0 "[ . 1 . 2]" 1
262 1 37 LEU HA 1 38 ARG H . . 3.070 2.382 2.242 2.475 . 0 0 "[ . 1 . 2]" 1
263 1 37 LEU HA 1 56 VAL HA . . 3.800 2.536 2.303 2.693 . 0 0 "[ . 1 . 2]" 1
264 1 37 LEU HB2 1 38 ARG H . . 4.490 2.573 2.105 2.736 . 0 0 "[ . 1 . 2]" 1
265 1 37 LEU HB2 1 56 VAL H . . 4.610 4.642 4.520 4.691 0.081 15 0 "[ . 1 . 2]" 1
266 1 37 LEU HB2 1 56 VAL MG1 . . 3.890 2.610 2.241 3.330 . 0 0 "[ . 1 . 2]" 1
267 1 37 LEU HB3 1 56 VAL HA . . 4.730 2.585 2.116 2.866 . 0 0 "[ . 1 . 2]" 1
268 1 37 LEU HB3 1 56 VAL MG1 . . 3.880 2.159 2.017 2.355 . 0 0 "[ . 1 . 2]" 1
269 1 37 LEU MD1 1 38 ARG H . . 4.440 4.188 3.017 4.441 0.001 5 0 "[ . 1 . 2]" 1
270 1 37 LEU MD2 1 38 ARG H . . 4.270 4.215 4.011 4.324 0.054 13 0 "[ . 1 . 2]" 1
271 1 37 LEU MD2 1 56 VAL HA . . 4.640 4.584 3.602 4.670 0.030 19 0 "[ . 1 . 2]" 1
272 1 37 LEU HG 1 38 ARG H . . 4.310 3.316 2.876 4.105 . 0 0 "[ . 1 . 2]" 1
273 1 37 LEU HG 1 39 ASN H . . 5.390 5.194 4.523 5.451 0.061 13 0 "[ . 1 . 2]" 1
274 1 37 LEU HG 1 56 VAL HA . . 4.500 4.499 4.383 4.663 0.163 13 0 "[ . 1 . 2]" 1
275 1 37 LEU HG 1 57 ALA H . . 5.500 5.596 5.249 5.656 0.156 14 0 "[ . 1 . 2]" 1
276 1 38 ARG H 1 38 ARG HB3 . . 3.950 3.241 2.661 3.936 . 0 0 "[ . 1 . 2]" 1
277 1 38 ARG H 1 38 ARG HD3 . . 5.500 5.226 4.352 5.519 0.019 4 0 "[ . 1 . 2]" 1
278 1 38 ARG H 1 39 ASN H . . 5.500 4.275 4.053 4.419 . 0 0 "[ . 1 . 2]" 1
279 1 38 ARG H 1 39 ASN HA . . 5.500 4.655 4.441 4.853 . 0 0 "[ . 1 . 2]" 1
280 1 38 ARG H 1 39 ASN HB3 . . 5.500 5.529 5.451 5.568 0.068 15 0 "[ . 1 . 2]" 1
281 1 38 ARG H 1 54 PHE QD . . 4.910 4.299 3.575 4.792 . 0 0 "[ . 1 . 2]" 1
282 1 38 ARG H 1 55 ARG H . . 4.200 3.276 3.091 3.602 . 0 0 "[ . 1 . 2]" 1
283 1 38 ARG H 1 55 ARG QB . . 5.370 3.306 3.017 3.723 . 0 0 "[ . 1 . 2]" 1
284 1 38 ARG H 1 56 VAL HA . . 4.900 3.548 3.397 3.715 . 0 0 "[ . 1 . 2]" 1
285 1 38 ARG HA 1 38 ARG HD2 . . 4.280 3.623 2.155 4.302 0.022 17 0 "[ . 1 . 2]" 1
286 1 38 ARG HA 1 39 ASN H . . 3.150 2.247 2.159 2.304 . 0 0 "[ . 1 . 2]" 1
287 1 38 ARG HB3 1 38 ARG HD3 . . 4.050 3.115 2.433 3.977 . 0 0 "[ . 1 . 2]" 1
288 1 38 ARG HB3 1 39 ASN H . . 4.500 3.767 2.796 4.295 . 0 0 "[ . 1 . 2]" 1
289 1 39 ASN H 1 39 ASN HB2 . . 3.640 3.657 3.497 3.756 0.116 14 0 "[ . 1 . 2]" 1
290 1 39 ASN H 1 39 ASN HB3 . . 3.890 2.546 2.322 3.117 . 0 0 "[ . 1 . 2]" 1
291 1 39 ASN H 1 40 GLU H . . 5.400 4.510 4.219 4.689 . 0 0 "[ . 1 . 2]" 1
292 1 39 ASN H 1 54 PHE QD . . 5.500 4.226 3.692 5.075 . 0 0 "[ . 1 . 2]" 1
293 1 39 ASN H 1 54 PHE QE . . 5.500 4.001 3.397 4.648 . 0 0 "[ . 1 . 2]" 1
294 1 39 ASN HA 1 40 GLU H . . 3.390 2.128 2.005 2.260 . 0 0 "[ . 1 . 2]" 1
295 1 39 ASN HA 1 41 SER H . . 4.480 3.764 3.398 4.038 . 0 0 "[ . 1 . 2]" 1
296 1 39 ASN HA 1 54 PHE HA . . 3.820 2.184 2.010 2.342 . 0 0 "[ . 1 . 2]" 1
297 1 39 ASN HA 1 54 PHE QD . . 3.820 2.668 2.073 3.762 . 0 0 "[ . 1 . 2]" 1
298 1 39 ASN HA 1 54 PHE QE . . 4.530 4.083 3.546 4.539 0.009 5 0 "[ . 1 . 2]" 1
299 1 39 ASN HA 1 55 ARG H . . 4.870 2.999 2.411 3.291 . 0 0 "[ . 1 . 2]" 1
300 1 39 ASN HB2 1 40 GLU H . . 5.240 3.223 2.827 3.954 . 0 0 "[ . 1 . 2]" 1
301 1 39 ASN HB2 1 54 PHE QD . . 5.030 2.708 2.317 3.704 . 0 0 "[ . 1 . 2]" 1
302 1 39 ASN HB3 1 39 ASN HD21 . . 3.320 2.412 2.215 3.204 . 0 0 "[ . 1 . 2]" 1
303 1 39 ASN HB3 1 40 GLU H . . 4.490 4.257 3.900 4.538 0.048 5 0 "[ . 1 . 2]" 1
304 1 39 ASN HB3 1 41 SER H . . 5.150 4.911 4.517 5.185 0.035 20 0 "[ . 1 . 2]" 1
305 1 39 ASN HB3 1 54 PHE HA . . 4.270 4.110 3.597 4.308 0.038 5 0 "[ . 1 . 2]" 1
306 1 39 ASN HB3 1 54 PHE QD . . 3.320 2.854 2.268 3.356 0.036 19 0 "[ . 1 . 2]" 1
307 1 39 ASN HB3 1 54 PHE QE . . 4.090 3.004 2.449 3.676 . 0 0 "[ . 1 . 2]" 1
308 1 39 ASN HD21 1 51 GLU HA . . 4.710 4.191 3.175 4.738 0.028 8 0 "[ . 1 . 2]" 1
309 1 39 ASN HD21 1 51 GLU QG . . 3.850 2.801 2.092 3.812 . 0 0 "[ . 1 . 2]" 1
310 1 39 ASN HD22 1 51 GLU HA . . 4.330 3.967 3.115 4.382 0.052 15 0 "[ . 1 . 2]" 1
311 1 39 ASN HD22 1 51 GLU HB2 . . 5.500 5.124 3.738 5.560 0.060 14 0 "[ . 1 . 2]" 1
312 1 39 ASN HD22 1 51 GLU QG . . 5.130 2.709 2.051 3.757 . 0 0 "[ . 1 . 2]" 1
313 1 40 GLU H 1 40 GLU HG2 . . 5.150 4.020 2.048 4.788 . 0 0 "[ . 1 . 2]" 1
314 1 40 GLU H 1 41 SER H . . 3.760 2.232 2.006 2.643 . 0 0 "[ . 1 . 2]" 1
315 1 40 GLU H 1 54 PHE HA . . 4.220 2.771 2.122 3.652 . 0 0 "[ . 1 . 2]" 1
316 1 40 GLU H 1 54 PHE QD . . 4.970 4.228 3.694 4.779 . 0 0 "[ . 1 . 2]" 1
317 1 40 GLU HA 1 40 GLU HG2 . . 3.970 3.472 2.861 3.857 . 0 0 "[ . 1 . 2]" 1
318 1 40 GLU HA 1 40 GLU HG3 . . 3.850 2.869 2.372 3.783 . 0 0 "[ . 1 . 2]" 1
319 1 40 GLU QB 1 41 SER H . . 4.970 3.238 2.878 3.915 . 0 0 "[ . 1 . 2]" 1
320 1 40 GLU QB 1 44 HIS HD2 . . 5.290 4.426 3.630 5.120 . 0 0 "[ . 1 . 2]" 1
321 1 40 GLU HG2 1 44 HIS HD2 . . 5.260 4.196 2.977 5.276 0.016 12 0 "[ . 1 . 2]" 1
322 1 40 GLU HG3 1 44 HIS HD2 . . 5.260 4.492 3.418 5.276 0.016 2 0 "[ . 1 . 2]" 1
323 1 41 SER H 1 44 HIS HD2 . . 5.500 4.314 4.019 4.670 . 0 0 "[ . 1 . 2]" 1
324 1 41 SER H 1 53 HIS H . . 4.820 3.510 3.327 3.784 . 0 0 "[ . 1 . 2]" 1
325 1 41 SER H 1 53 HIS QB . . 5.400 2.403 2.263 2.505 . 0 0 "[ . 1 . 2]" 1
326 1 41 SER H 1 53 HIS HD2 . . 5.940 5.995 5.963 6.022 0.082 8 0 "[ . 1 . 2]" 1
327 1 41 SER HA 1 41 SER QB . . 2.730 2.206 2.090 2.407 . 0 0 "[ . 1 . 2]" 1
328 1 41 SER HA 1 44 HIS HD2 . . 3.650 2.156 1.984 2.497 . 0 0 "[ . 1 . 2]" 1
329 1 41 SER HA 1 53 HIS HD2 . . 5.500 5.101 4.673 5.442 . 0 0 "[ . 1 . 2]" 1
330 1 41 SER QB 1 42 GLY H . . 3.690 3.520 2.925 3.777 0.087 13 0 "[ . 1 . 2]" 1
331 1 41 SER QB 1 44 HIS HD2 . . 5.130 3.989 3.747 4.321 . 0 0 "[ . 1 . 2]" 1
332 1 41 SER QB 1 53 HIS QB . . 2.400 1.988 1.909 2.107 . 0 0 "[ . 1 . 2]" 1
333 1 42 GLY H 1 43 GLY H . . 4.630 2.650 2.414 2.791 . 0 0 "[ . 1 . 2]" 1
334 1 43 GLY H 1 44 HIS HD2 . . 4.090 3.222 2.846 3.495 . 0 0 "[ . 1 . 2]" 1
335 1 43 GLY HA2 1 44 HIS HD2 . . 4.850 4.827 4.640 4.936 0.086 1 0 "[ . 1 . 2]" 1
336 1 43 GLY HA3 1 44 HIS HD2 . . 4.180 3.559 3.395 3.825 . 0 0 "[ . 1 . 2]" 1
337 1 44 HIS HB2 1 46 VAL HB . . 5.000 5.016 4.689 5.076 0.076 3 0 "[ . 1 . 2]" 1
338 1 44 HIS HB2 1 46 VAL MG1 . . 4.760 2.502 2.196 3.234 . 0 0 "[ . 1 . 2]" 1
339 1 44 HIS HB2 1 46 VAL MG2 . . 4.000 2.867 2.159 3.423 . 0 0 "[ . 1 . 2]" 1
340 1 44 HIS HB2 1 52 THR MG . . 5.000 4.708 4.382 5.006 0.006 14 0 "[ . 1 . 2]" 1
341 1 44 HIS HB3 1 46 VAL HB . . 6.000 5.419 4.920 5.797 . 0 0 "[ . 1 . 2]" 1
342 1 44 HIS HB3 1 46 VAL MG2 . . 4.500 3.779 2.955 4.517 0.017 9 0 "[ . 1 . 2]" 1
343 1 44 HIS HB3 1 52 THR MG . . 5.000 4.995 4.779 5.051 0.051 8 0 "[ . 1 . 2]" 1
344 1 44 HIS HD2 1 46 VAL MG1 . . 6.000 4.693 4.093 5.253 . 0 0 "[ . 1 . 2]" 1
345 1 44 HIS HD2 1 46 VAL MG2 . . 4.930 4.700 3.962 4.950 0.020 13 0 "[ . 1 . 2]" 1
346 1 44 HIS HD2 1 53 HIS QB . . 5.500 3.260 2.935 3.685 . 0 0 "[ . 1 . 2]" 1
347 1 44 HIS HD2 1 53 HIS HD2 . . 5.400 5.437 5.276 5.509 0.109 1 0 "[ . 1 . 2]" 1
348 1 45 ALA H 1 46 VAL H . . 4.920 3.329 2.818 4.207 . 0 0 "[ . 1 . 2]" 1
349 1 45 ALA HA 1 46 VAL H . . 3.080 2.677 2.188 3.007 . 0 0 "[ . 1 . 2]" 1
350 1 45 ALA MB 1 46 VAL H . . 4.170 3.720 3.543 3.773 . 0 0 "[ . 1 . 2]" 1
351 1 46 VAL H 1 46 VAL MG1 . . 4.230 2.586 2.258 3.143 . 0 0 "[ . 1 . 2]" 1
352 1 46 VAL H 1 46 VAL MG2 . . 3.600 2.079 1.905 2.588 . 0 0 "[ . 1 . 2]" 1
353 1 46 VAL HA 1 46 VAL MG1 . . 3.680 2.336 2.264 2.420 . 0 0 "[ . 1 . 2]" 1
354 1 46 VAL HB 1 50 SER H . . 5.010 4.790 4.062 5.042 0.032 19 0 "[ . 1 . 2]" 1
355 1 46 VAL MG1 1 50 SER HB3 . . 4.300 3.843 3.143 4.293 . 0 0 "[ . 1 . 2]" 1
356 1 46 VAL MG2 1 50 SER HB3 . . 3.300 2.942 2.213 3.327 0.027 3 0 "[ . 1 . 2]" 1
357 1 48 PRO HA 1 50 SER H . . 4.650 3.419 3.230 3.654 . 0 0 "[ . 1 . 2]" 1
358 1 48 PRO QG 1 50 SER H . . 5.500 5.335 5.071 5.539 0.039 18 0 "[ . 1 . 2]" 1
359 1 49 GLY H 1 50 SER H . . 5.170 2.778 2.334 3.238 . 0 0 "[ . 1 . 2]" 1
360 1 50 SER H 1 51 GLU H . . 4.430 4.472 4.433 4.509 0.079 14 0 "[ . 1 . 2]" 1
361 1 50 SER HA 1 51 GLU H . . 3.280 2.097 2.032 2.230 . 0 0 "[ . 1 . 2]" 1
362 1 50 SER HA 1 52 THR MG . . 4.640 4.175 3.013 4.639 . 0 0 "[ . 1 . 2]" 1
363 1 50 SER HB2 1 51 GLU H . . 4.580 4.133 3.602 4.429 . 0 0 "[ . 1 . 2]" 1
364 1 50 SER HB2 1 52 THR MG . . 5.000 3.879 3.145 4.493 . 0 0 "[ . 1 . 2]" 1
365 1 50 SER HB3 1 51 GLU H . . 4.300 3.579 2.403 4.308 0.008 18 0 "[ . 1 . 2]" 1
366 1 50 SER HB3 1 52 THR MG . . 5.000 2.860 2.110 3.811 . 0 0 "[ . 1 . 2]" 1
367 1 51 GLU H 1 52 THR H . . 5.080 3.439 2.650 4.152 . 0 0 "[ . 1 . 2]" 1
368 1 51 GLU H 1 52 THR HA . . 5.500 4.340 3.798 5.179 . 0 0 "[ . 1 . 2]" 1
369 1 51 GLU H 1 52 THR MG . . 4.790 3.650 2.735 4.358 . 0 0 "[ . 1 . 2]" 1
370 1 52 THR H 1 52 THR MG . . 4.190 2.205 1.835 2.443 . 0 0 "[ . 1 . 2]" 1
371 1 52 THR H 1 53 HIS H . . 2.620 2.537 2.146 2.666 0.046 11 0 "[ . 1 . 2]" 1
372 1 52 THR H 1 53 HIS HD2 . . 5.230 5.255 5.010 5.339 0.109 10 0 "[ . 1 . 2]" 1
373 1 52 THR HA 1 88 HIS H . . 4.510 2.789 2.509 3.091 . 0 0 "[ . 1 . 2]" 1
374 1 52 THR HA 1 88 HIS HD2 . . 4.770 2.866 2.027 4.376 . 0 0 "[ . 1 . 2]" 1
375 1 52 THR HB 1 53 HIS H . . 5.500 4.112 3.907 4.609 . 0 0 "[ . 1 . 2]" 1
376 1 52 THR HB 1 88 HIS H . . 4.660 3.583 2.913 4.160 . 0 0 "[ . 1 . 2]" 1
377 1 52 THR HB 1 88 HIS HB3 . . 3.730 3.572 2.841 3.817 0.087 4 0 "[ . 1 . 2]" 1
378 1 52 THR HB 1 88 HIS HD2 . . 4.450 3.100 2.053 4.442 . 0 0 "[ . 1 . 2]" 1
379 1 52 THR MG 1 53 HIS H . . 4.420 3.978 2.635 4.145 . 0 0 "[ . 1 . 2]" 1
380 1 52 THR MG 1 88 HIS H . . 5.440 4.319 3.883 4.647 . 0 0 "[ . 1 . 2]" 1
381 1 52 THR MG 1 88 HIS HD2 . . 4.150 3.080 2.198 3.961 . 0 0 "[ . 1 . 2]" 1
382 1 53 HIS H 1 53 HIS HD2 . . 5.290 4.122 3.895 4.362 . 0 0 "[ . 1 . 2]" 1
383 1 53 HIS HA 1 53 HIS HD2 . . 4.490 2.629 2.440 2.755 . 0 0 "[ . 1 . 2]" 1
384 1 53 HIS HA 1 54 PHE H . . 3.250 2.200 2.135 2.241 . 0 0 "[ . 1 . 2]" 1
385 1 53 HIS HA 1 87 VAL QG . . 4.800 3.463 2.626 4.615 . 0 0 "[ . 1 . 2]" 1
386 1 53 HIS HA 1 89 ALA H . . 4.020 2.996 2.803 3.230 . 0 0 "[ . 1 . 2]" 1
387 1 53 HIS HA 1 89 ALA MB . . 4.310 2.808 2.629 3.154 . 0 0 "[ . 1 . 2]" 1
388 1 53 HIS HA 1 90 LEU QD . . 5.500 5.085 4.694 5.533 0.033 19 0 "[ . 1 . 2]" 1
389 1 53 HIS QB 1 54 PHE H . . 4.130 3.698 3.600 3.787 . 0 0 "[ . 1 . 2]" 1
390 1 53 HIS QB 1 54 PHE HA . . 4.490 4.352 4.293 4.387 . 0 0 "[ . 1 . 2]" 1
391 1 53 HIS QB 1 87 VAL QG . . 4.630 4.650 4.084 5.756 1.126 19 3 "[ * . - . +2]" 1
392 1 53 HIS QB 1 89 ALA MB . . 4.520 3.966 3.808 4.053 . 0 0 "[ . 1 . 2]" 1
393 1 53 HIS HD2 1 54 PHE H . . 4.700 4.685 4.519 4.748 0.048 19 0 "[ . 1 . 2]" 1
394 1 53 HIS HD2 1 88 HIS HB3 . . 4.740 4.671 4.267 4.844 0.104 1 0 "[ . 1 . 2]" 1
395 1 53 HIS HD2 1 88 HIS HD2 . . 5.790 4.515 2.127 5.862 0.072 7 0 "[ . 1 . 2]" 1
396 1 53 HIS HD2 1 89 ALA H . . 5.400 3.254 2.874 3.739 . 0 0 "[ . 1 . 2]" 1
397 1 53 HIS HD2 1 89 ALA HA . . 4.960 4.940 4.804 5.046 0.086 10 0 "[ . 1 . 2]" 1
398 1 53 HIS HD2 1 89 ALA MB . . 3.600 2.433 2.055 2.658 . 0 0 "[ . 1 . 2]" 1
399 1 53 HIS HD2 1 90 LEU H . . 6.000 6.086 6.053 6.127 0.127 9 0 "[ . 1 . 2]" 1
400 1 54 PHE H 1 54 PHE HB2 . . 4.070 2.794 2.417 3.124 . 0 0 "[ . 1 . 2]" 1
401 1 54 PHE H 1 54 PHE HB3 . . 4.200 2.883 2.619 3.605 . 0 0 "[ . 1 . 2]" 1
402 1 54 PHE H 1 54 PHE QD . . 4.380 4.307 3.404 4.421 0.041 5 0 "[ . 1 . 2]" 1
403 1 54 PHE H 1 55 ARG H . . 5.220 4.564 4.465 4.663 . 0 0 "[ . 1 . 2]" 1
404 1 54 PHE H 1 89 ALA H . . 5.500 4.167 3.939 4.318 . 0 0 "[ . 1 . 2]" 1
405 1 54 PHE H 1 89 ALA MB . . 5.320 3.676 3.309 3.963 . 0 0 "[ . 1 . 2]" 1
406 1 54 PHE H 1 90 LEU HA . . 4.350 2.514 2.332 2.909 . 0 0 "[ . 1 . 2]" 1
407 1 54 PHE H 1 90 LEU QD . . 5.060 4.257 3.799 4.670 . 0 0 "[ . 1 . 2]" 1
408 1 54 PHE HA 1 54 PHE QD . . 3.710 2.470 2.035 3.082 . 0 0 "[ . 1 . 2]" 1
409 1 54 PHE HA 1 55 ARG H . . 3.300 2.242 2.050 2.343 . 0 0 "[ . 1 . 2]" 1
410 1 54 PHE HB2 1 55 ARG H . . 4.300 4.230 4.008 4.347 0.047 19 0 "[ . 1 . 2]" 1
411 1 54 PHE HB2 1 90 LEU MD1 . . 4.150 4.175 4.148 4.194 0.044 12 0 "[ . 1 . 2]" 1
412 1 54 PHE HB3 1 55 ARG H . . 4.610 3.833 3.369 4.455 . 0 0 "[ . 1 . 2]" 1
413 1 54 PHE HB3 1 87 VAL HB . . 4.200 4.270 4.214 4.370 0.170 14 0 "[ . 1 . 2]" 1
414 1 54 PHE HB3 1 87 VAL QG . . 4.660 2.468 2.067 3.331 . 0 0 "[ . 1 . 2]" 1
415 1 54 PHE HB3 1 90 LEU HA . . 4.780 3.432 2.595 4.017 . 0 0 "[ . 1 . 2]" 1
416 1 54 PHE HB3 1 90 LEU HB3 . . 5.260 2.560 2.109 5.147 . 0 0 "[ . 1 . 2]" 1
417 1 54 PHE HB3 1 90 LEU QD . . 4.190 3.040 2.232 4.054 . 0 0 "[ . 1 . 2]" 1
418 1 54 PHE QD 1 55 ARG H . . 4.330 2.797 2.131 3.178 . 0 0 "[ . 1 . 2]" 1
419 1 54 PHE QD 1 87 VAL QG . . 4.090 2.825 2.051 3.352 . 0 0 "[ . 1 . 2]" 1
420 1 54 PHE QE 1 55 ARG H . . 5.500 4.158 3.634 5.211 . 0 0 "[ . 1 . 2]" 1
421 1 55 ARG H 1 55 ARG QB . . 3.890 2.596 2.364 2.859 . 0 0 "[ . 1 . 2]" 1
422 1 55 ARG H 1 55 ARG QG . . 4.910 4.080 3.174 4.341 . 0 0 "[ . 1 . 2]" 1
423 1 55 ARG H 1 56 VAL MG2 . . 5.180 3.857 3.466 4.389 . 0 0 "[ . 1 . 2]" 1
424 1 55 ARG HA 1 55 ARG HD3 . . 5.100 3.113 2.020 4.581 . 0 0 "[ . 1 . 2]" 1
425 1 55 ARG HA 1 55 ARG QG . . 3.300 2.550 2.267 2.962 . 0 0 "[ . 1 . 2]" 1
426 1 55 ARG HA 1 56 VAL H . . 3.240 2.164 2.095 2.213 . 0 0 "[ . 1 . 2]" 1
427 1 55 ARG QB 1 91 ALA H . . 5.500 4.409 3.987 4.941 . 0 0 "[ . 1 . 2]" 1
428 1 55 ARG HD2 1 56 VAL H . . 4.970 3.642 2.466 4.974 0.004 9 0 "[ . 1 . 2]" 1
429 1 55 ARG HD2 1 91 ALA HA . . 4.670 4.667 4.417 4.772 0.102 2 0 "[ . 1 . 2]" 1
430 1 55 ARG HD2 1 91 ALA MB . . 4.720 2.310 2.034 2.756 . 0 0 "[ . 1 . 2]" 1
431 1 55 ARG QG 1 56 VAL H . . 3.970 3.364 2.504 4.050 0.080 18 0 "[ . 1 . 2]" 1
432 1 56 VAL H 1 56 VAL QG . . 3.970 2.606 2.136 2.827 . 0 0 "[ . 1 . 2]" 1
433 1 56 VAL H 1 56 VAL MG2 . . 4.200 2.643 2.146 2.880 . 0 0 "[ . 1 . 2]" 1
434 1 56 VAL H 1 91 ALA H . . 4.930 4.052 3.816 4.183 . 0 0 "[ . 1 . 2]" 1
435 1 56 VAL H 1 91 ALA MB . . 4.550 4.252 3.809 4.550 . 0 0 "[ . 1 . 2]" 1
436 1 56 VAL H 1 92 ILE H . . 5.500 4.833 4.756 4.912 . 0 0 "[ . 1 . 2]" 1
437 1 56 VAL H 1 92 ILE HA . . 4.380 2.731 2.546 2.933 . 0 0 "[ . 1 . 2]" 1
438 1 56 VAL HA 1 56 VAL MG1 . . 3.570 2.309 2.167 2.423 . 0 0 "[ . 1 . 2]" 1
439 1 56 VAL HA 1 57 ALA H . . 2.990 2.139 2.082 2.225 . 0 0 "[ . 1 . 2]" 1
440 1 56 VAL HA 1 57 ALA HA . . 5.120 4.431 4.363 4.529 . 0 0 "[ . 1 . 2]" 1
441 1 56 VAL QG 1 57 ALA H . . 3.820 2.367 2.228 2.573 . 0 0 "[ . 1 . 2]" 1
442 1 56 VAL QG 1 57 ALA HA . . 4.990 3.564 2.999 4.015 . 0 0 "[ . 1 . 2]" 1
443 1 56 VAL QG 1 92 ILE HA . . 3.890 3.489 2.998 3.846 . 0 0 "[ . 1 . 2]" 1
444 1 56 VAL MG1 1 57 ALA H . . 4.090 2.381 2.236 2.590 . 0 0 "[ . 1 . 2]" 1
445 1 56 VAL MG1 1 58 VAL H . . 4.970 3.882 3.205 4.513 . 0 0 "[ . 1 . 2]" 1
446 1 56 VAL MG1 1 58 VAL HA . . 4.360 3.829 3.347 4.198 . 0 0 "[ . 1 . 2]" 1
447 1 56 VAL MG2 1 92 ILE HA . . 4.550 3.699 3.043 4.116 . 0 0 "[ . 1 . 2]" 1
448 1 57 ALA H 1 57 ALA MB . . 3.650 2.545 2.468 2.638 . 0 0 "[ . 1 . 2]" 1
449 1 57 ALA H 1 58 VAL H . . 5.500 4.341 4.203 4.460 . 0 0 "[ . 1 . 2]" 1
450 1 57 ALA H 1 58 VAL HA . . 4.920 4.935 4.852 4.960 0.040 12 0 "[ . 1 . 2]" 1
451 1 57 ALA HA 1 58 VAL H . . 3.100 2.115 1.931 2.253 . 0 0 "[ . 1 . 2]" 1
452 1 57 ALA HA 1 58 VAL MG1 . . 5.500 3.730 2.989 4.538 . 0 0 "[ . 1 . 2]" 1
453 1 57 ALA HA 1 58 VAL MG2 . . 4.940 4.116 3.427 5.104 0.164 4 0 "[ . 1 . 2]" 1
454 1 57 ALA HA 1 92 ILE HA . . 4.820 4.456 4.230 4.707 . 0 0 "[ . 1 . 2]" 1
455 1 57 ALA HA 1 92 ILE MG . . 5.360 5.313 5.035 5.388 0.028 4 0 "[ . 1 . 2]" 1
456 1 57 ALA HA 1 93 GLN H . . 2.990 2.761 2.520 3.001 0.011 9 0 "[ . 1 . 2]" 1
457 1 57 ALA HA 1 93 GLN QB . . 3.510 2.671 2.206 3.352 . 0 0 "[ . 1 . 2]" 1
458 1 57 ALA HA 1 94 ALA HA . . 5.080 4.804 4.466 5.095 0.015 9 0 "[ . 1 . 2]" 1
459 1 57 ALA MB 1 58 VAL H . . 3.820 3.141 2.825 3.353 . 0 0 "[ . 1 . 2]" 1
460 1 57 ALA MB 1 93 GLN QB . . 3.450 2.970 2.629 3.456 0.006 9 0 "[ . 1 . 2]" 1
461 1 57 ALA MB 1 100 TRP HH2 . . 4.620 3.435 2.372 4.637 0.017 14 0 "[ . 1 . 2]" 1
462 1 57 ALA MB 1 100 TRP HZ3 . . 5.070 2.814 2.101 3.972 . 0 0 "[ . 1 . 2]" 1
463 1 58 VAL H 1 58 VAL HB . . 4.050 3.645 3.112 3.994 . 0 0 "[ . 1 . 2]" 1
464 1 58 VAL H 1 58 VAL MG1 . . 3.880 2.875 2.191 3.495 . 0 0 "[ . 1 . 2]" 1
465 1 58 VAL H 1 58 VAL MG2 . . 3.600 2.756 2.237 3.731 0.131 19 0 "[ . 1 . 2]" 1
466 1 58 VAL H 1 59 VAL H . . 5.500 4.308 4.140 4.498 . 0 0 "[ . 1 . 2]" 1
467 1 58 VAL H 1 59 VAL QG . . 5.500 4.000 3.263 4.887 . 0 0 "[ . 1 . 2]" 1
468 1 58 VAL H 1 93 GLN HA . . 5.500 5.097 4.887 5.255 . 0 0 "[ . 1 . 2]" 1
469 1 58 VAL H 1 94 ALA HA . . 4.050 3.177 3.020 3.410 . 0 0 "[ . 1 . 2]" 1
470 1 58 VAL H 1 94 ALA MB . . 5.240 4.435 4.254 4.752 . 0 0 "[ . 1 . 2]" 1
471 1 58 VAL H 1 95 ARG HD3 . . 5.500 5.278 4.678 5.556 0.056 10 0 "[ . 1 . 2]" 1
472 1 58 VAL HA 1 58 VAL MG1 . . 3.690 2.590 2.226 3.297 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL HA 1 59 VAL H . . 3.180 2.148 2.043 2.223 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL HB 1 59 VAL H . . 4.190 3.524 2.923 4.179 . 0 0 "[ . 1 . 2]" 1
475 1 58 VAL HB 1 63 PHE QE . . 3.900 3.192 2.417 4.051 0.151 4 0 "[ . 1 . 2]" 1
476 1 58 VAL HB 1 63 PHE HZ . . 4.860 4.020 2.787 4.910 0.050 19 0 "[ . 1 . 2]" 1
477 1 58 VAL MG1 1 59 VAL H . . 4.020 3.918 3.632 4.115 0.095 4 0 "[ . 1 . 2]" 1
478 1 58 VAL MG2 1 59 VAL H . . 5.050 3.643 2.357 4.461 . 0 0 "[ . 1 . 2]" 1
479 1 58 VAL MG2 1 63 PHE QE . . 3.210 2.334 1.952 3.175 . 0 0 "[ . 1 . 2]" 1
480 1 58 VAL MG2 1 63 PHE HZ . . 3.500 3.076 2.326 3.502 0.002 12 0 "[ . 1 . 2]" 1
481 1 58 VAL MG2 1 94 ALA HA . . 3.870 2.699 1.985 3.921 0.051 1 0 "[ . 1 . 2]" 1
482 1 58 VAL MG2 1 94 ALA MB . . 4.050 2.977 2.158 4.067 0.017 17 0 "[ . 1 . 2]" 1
483 1 58 VAL MG2 1 95 ARG H . . 4.750 3.685 3.112 4.415 . 0 0 "[ . 1 . 2]" 1
484 1 59 VAL H 1 59 VAL HB . . 3.960 2.653 2.395 2.975 . 0 0 "[ . 1 . 2]" 1
485 1 59 VAL HA 1 60 SER H . . 3.110 2.123 2.006 2.236 . 0 0 "[ . 1 . 2]" 1
486 1 59 VAL HA 1 63 PHE QD . . 4.330 3.178 2.602 3.875 . 0 0 "[ . 1 . 2]" 1
487 1 59 VAL HA 1 63 PHE QE . . 5.070 3.610 2.813 4.233 . 0 0 "[ . 1 . 2]" 1
488 1 59 VAL HA 1 95 ARG H . . 3.930 2.629 2.408 2.928 . 0 0 "[ . 1 . 2]" 1
489 1 59 VAL HA 1 95 ARG HB2 . . 4.690 3.512 2.405 4.003 . 0 0 "[ . 1 . 2]" 1
490 1 59 VAL HA 1 95 ARG HB3 . . 4.250 4.241 3.756 4.327 0.077 3 0 "[ . 1 . 2]" 1
491 1 59 VAL HA 1 96 THR HA . . 4.690 4.067 3.841 4.342 . 0 0 "[ . 1 . 2]" 1
492 1 59 VAL QG 1 60 SER H . . 4.900 2.757 2.398 2.936 . 0 0 "[ . 1 . 2]" 1
493 1 59 VAL QG 1 60 SER HB2 . . 5.500 4.606 4.388 4.778 . 0 0 "[ . 1 . 2]" 1
494 1 59 VAL QG 1 95 ARG H . . 4.980 2.841 2.317 3.818 . 0 0 "[ . 1 . 2]" 1
495 1 59 VAL QG 1 95 ARG HB2 . . 4.800 2.036 1.845 2.165 . 0 0 "[ . 1 . 2]" 1
496 1 59 VAL QG 1 95 ARG HB3 . . 4.420 2.445 2.200 2.892 . 0 0 "[ . 1 . 2]" 1
497 1 59 VAL QG 1 96 THR H . . 5.500 3.186 2.941 3.935 . 0 0 "[ . 1 . 2]" 1
498 1 59 VAL QG 1 96 THR HA . . 5.150 2.907 2.570 3.345 . 0 0 "[ . 1 . 2]" 1
499 1 59 VAL QG 1 97 PRO HA . . 5.100 2.313 1.868 2.707 . 0 0 "[ . 1 . 2]" 1
500 1 59 VAL QG 1 100 TRP H . . 4.840 3.314 2.624 3.593 . 0 0 "[ . 1 . 2]" 1
501 1 59 VAL QG 1 100 TRP HA . . 4.950 3.823 3.546 4.102 . 0 0 "[ . 1 . 2]" 1
502 1 59 VAL QG 1 100 TRP HB2 . . 4.810 2.041 1.854 2.331 . 0 0 "[ . 1 . 2]" 1
503 1 59 VAL QG 1 100 TRP HB3 . . 4.200 2.530 2.141 2.944 . 0 0 "[ . 1 . 2]" 1
504 1 59 VAL QG 1 100 TRP HD1 . . 4.440 3.745 2.684 4.553 0.113 4 0 "[ . 1 . 2]" 1
505 1 59 VAL QG 1 100 TRP HE1 . . 5.500 4.622 4.110 5.167 . 0 0 "[ . 1 . 2]" 1
506 1 59 VAL QG 1 100 TRP HE3 . . 4.190 2.396 2.173 3.281 . 0 0 "[ . 1 . 2]" 1
507 1 59 VAL QG 1 100 TRP HZ3 . . 5.360 3.468 2.695 4.827 . 0 0 "[ . 1 . 2]" 1
508 1 59 VAL MG2 1 95 ARG HB3 . . 4.810 2.668 2.205 3.483 . 0 0 "[ . 1 . 2]" 1
509 1 59 VAL MG2 1 95 ARG HD2 . . 5.500 4.363 3.198 5.011 . 0 0 "[ . 1 . 2]" 1
510 1 59 VAL MG2 1 97 PRO HA . . 5.500 3.924 2.107 5.005 . 0 0 "[ . 1 . 2]" 1
511 1 59 VAL MG2 1 100 TRP HA . . 5.000 4.240 3.726 4.868 . 0 0 "[ . 1 . 2]" 1
512 1 59 VAL MG2 1 100 TRP HB2 . . 4.720 2.466 1.981 3.151 . 0 0 "[ . 1 . 2]" 1
513 1 59 VAL MG2 1 100 TRP HB3 . . 4.550 3.632 2.411 4.549 . 0 0 "[ . 1 . 2]" 1
514 1 60 SER H 1 60 SER HB3 . . 4.110 2.934 2.762 3.168 . 0 0 "[ . 1 . 2]" 1
515 1 60 SER H 1 63 PHE H . . 5.270 4.267 4.009 4.630 . 0 0 "[ . 1 . 2]" 1
516 1 60 SER H 1 63 PHE QD . . 3.720 2.758 2.234 3.304 . 0 0 "[ . 1 . 2]" 1
517 1 60 SER H 1 63 PHE QE . . 4.680 3.891 3.057 4.668 . 0 0 "[ . 1 . 2]" 1
518 1 60 SER H 1 95 ARG H . . 5.370 3.938 3.674 4.155 . 0 0 "[ . 1 . 2]" 1
519 1 60 SER H 1 96 THR HA . . 4.160 2.912 2.532 3.251 . 0 0 "[ . 1 . 2]" 1
520 1 60 SER H 1 96 THR MG . . 5.500 4.121 3.692 4.843 . 0 0 "[ . 1 . 2]" 1
521 1 60 SER HA 1 61 SER HA . . 4.560 4.455 4.393 4.508 . 0 0 "[ . 1 . 2]" 1
522 1 60 SER HB2 1 61 SER H . . 5.500 3.993 3.903 4.111 . 0 0 "[ . 1 . 2]" 1
523 1 60 SER HB2 1 63 PHE QE . . 4.320 3.900 3.397 4.322 0.002 8 0 "[ . 1 . 2]" 1
524 1 60 SER HB3 1 62 ARG H . . 5.120 3.160 2.993 3.381 . 0 0 "[ . 1 . 2]" 1
525 1 60 SER HB3 1 63 PHE H . . 4.540 3.369 2.979 3.699 . 0 0 "[ . 1 . 2]" 1
526 1 60 SER HB3 1 63 PHE QD . . 3.980 3.183 2.649 3.594 . 0 0 "[ . 1 . 2]" 1
527 1 61 SER H 1 62 ARG H . . 5.020 2.676 2.495 2.878 . 0 0 "[ . 1 . 2]" 1
528 1 61 SER HA 1 62 ARG H . . 3.460 3.450 3.335 3.501 0.041 14 0 "[ . 1 . 2]" 1
529 1 62 ARG H 1 62 ARG HB2 . . 3.170 2.324 2.131 2.740 . 0 0 "[ . 1 . 2]" 1
530 1 62 ARG H 1 62 ARG HB3 . . 3.780 3.166 2.549 3.606 . 0 0 "[ . 1 . 2]" 1
531 1 62 ARG H 1 63 PHE H . . 3.590 2.704 2.345 2.960 . 0 0 "[ . 1 . 2]" 1
532 1 62 ARG HA 1 62 ARG QD . . 3.700 3.626 2.526 3.793 0.093 15 0 "[ . 1 . 2]" 1
533 1 62 ARG HA 1 62 ARG QG . . 3.500 2.241 2.117 2.459 . 0 0 "[ . 1 . 2]" 1
534 1 62 ARG HA 1 64 GLU H . . 5.070 3.777 3.493 4.156 . 0 0 "[ . 1 . 2]" 1
535 1 62 ARG HA 1 64 GLU QG . . 4.510 4.137 3.235 4.572 0.062 12 0 "[ . 1 . 2]" 1
536 1 62 ARG HB2 1 62 ARG QD . . 3.410 2.391 2.109 3.280 . 0 0 "[ . 1 . 2]" 1
537 1 62 ARG HB2 1 63 PHE H . . 4.470 3.701 3.139 4.365 . 0 0 "[ . 1 . 2]" 1
538 1 62 ARG HB3 1 63 PHE H . . 3.840 3.648 3.150 3.944 0.104 4 0 "[ . 1 . 2]" 1
539 1 62 ARG HB3 1 63 PHE QD . . 4.560 3.598 2.755 4.567 0.007 14 0 "[ . 1 . 2]" 1
540 1 62 ARG QG 1 64 GLU H . . 5.500 5.332 4.789 5.548 0.048 9 0 "[ . 1 . 2]" 1
541 1 63 PHE H 1 63 PHE HB2 . . 3.770 2.417 2.307 2.575 . 0 0 "[ . 1 . 2]" 1
542 1 63 PHE H 1 63 PHE HB3 . . 3.520 3.572 3.556 3.595 0.075 18 0 "[ . 1 . 2]" 1
543 1 63 PHE H 1 64 GLU H . . 3.470 2.747 2.422 3.203 . 0 0 "[ . 1 . 2]" 1
544 1 63 PHE H 1 64 GLU HA . . 4.900 4.932 4.759 5.015 0.115 4 0 "[ . 1 . 2]" 1
545 1 63 PHE H 1 96 THR MG . . 4.810 3.603 2.973 4.784 . 0 0 "[ . 1 . 2]" 1
546 1 63 PHE HA 1 63 PHE QD . . 3.350 2.249 2.101 2.445 . 0 0 "[ . 1 . 2]" 1
547 1 63 PHE HA 1 66 LEU QD . . 3.690 2.390 1.927 3.066 . 0 0 "[ . 1 . 2]" 1
548 1 63 PHE HB2 1 66 LEU QD . . 4.450 4.211 3.691 4.421 . 0 0 "[ . 1 . 2]" 1
549 1 63 PHE HB2 1 94 ALA MB . . 5.170 4.451 3.996 4.836 . 0 0 "[ . 1 . 2]" 1
550 1 63 PHE HB2 1 96 THR MG . . 4.290 2.727 2.274 3.598 . 0 0 "[ . 1 . 2]" 1
551 1 63 PHE HB3 1 96 THR MG . . 5.160 3.531 3.019 4.355 . 0 0 "[ . 1 . 2]" 1
552 1 63 PHE QD 1 66 LEU QD . . 4.000 3.565 2.858 4.309 0.309 19 0 "[ . 1 . 2]" 1
553 1 63 PHE QD 1 94 ALA HA . . 4.640 3.788 3.054 4.391 . 0 0 "[ . 1 . 2]" 1
554 1 63 PHE QD 1 94 ALA MB . . 4.490 3.037 2.650 3.577 . 0 0 "[ . 1 . 2]" 1
555 1 63 PHE QD 1 95 ARG H . . 4.500 2.888 2.448 3.334 . 0 0 "[ . 1 . 2]" 1
556 1 63 PHE QD 1 96 THR HA . . 4.760 4.353 3.963 4.727 . 0 0 "[ . 1 . 2]" 1
557 1 63 PHE QD 1 96 THR MG . . 4.910 4.097 3.236 4.818 . 0 0 "[ . 1 . 2]" 1
558 1 63 PHE QE 1 94 ALA HA . . 3.910 3.420 2.791 3.921 0.011 5 0 "[ . 1 . 2]" 1
559 1 63 PHE QE 1 94 ALA MB . . 3.910 3.082 2.740 3.636 . 0 0 "[ . 1 . 2]" 1
560 1 63 PHE QE 1 95 ARG H . . 4.270 3.583 2.950 4.049 . 0 0 "[ . 1 . 2]" 1
561 1 63 PHE HZ 1 94 ALA MB . . 4.400 3.933 3.176 4.414 0.014 9 0 "[ . 1 . 2]" 1
562 1 64 GLU H 1 64 GLU HB2 . . 3.530 3.474 2.324 3.641 0.111 8 0 "[ . 1 . 2]" 1
563 1 64 GLU H 1 64 GLU HB3 . . 3.780 2.771 2.371 3.641 . 0 0 "[ . 1 . 2]" 1
564 1 64 GLU H 1 64 GLU QG . . 4.150 2.273 1.903 2.785 . 0 0 "[ . 1 . 2]" 1
565 1 64 GLU H 1 96 THR MG . . 5.210 3.494 2.914 4.228 . 0 0 "[ . 1 . 2]" 1
566 1 64 GLU HA 1 66 LEU H . . 4.310 3.664 3.054 4.306 . 0 0 "[ . 1 . 2]" 1
567 1 64 GLU HA 1 66 LEU QD . . 4.110 3.400 2.973 3.989 . 0 0 "[ . 1 . 2]" 1
568 1 64 GLU HA 1 96 THR MG . . 3.740 2.664 2.091 3.610 . 0 0 "[ . 1 . 2]" 1
569 1 64 GLU QG 1 65 GLY HA3 . . 5.210 4.065 3.063 5.284 0.074 12 0 "[ . 1 . 2]" 1
570 1 65 GLY H 1 66 LEU H . . 4.920 2.653 1.986 3.338 . 0 0 "[ . 1 . 2]" 1
571 1 65 GLY H 1 66 LEU HA . . 5.500 5.250 4.836 5.552 0.052 2 0 "[ . 1 . 2]" 1
572 1 65 GLY H 1 66 LEU HG . . 5.480 4.795 4.345 5.546 0.066 20 0 "[ . 1 . 2]" 1
573 1 65 GLY HA2 1 66 LEU QD . . 4.700 4.402 3.785 4.604 . 0 0 "[ . 1 . 2]" 1
574 1 66 LEU H 1 66 LEU HB2 . . 3.460 3.144 2.413 3.571 0.111 18 0 "[ . 1 . 2]" 1
575 1 66 LEU H 1 66 LEU HB3 . . 3.770 3.399 2.780 3.828 0.058 19 0 "[ . 1 . 2]" 1
576 1 66 LEU H 1 66 LEU QD . . 4.280 2.402 1.663 3.501 . 0 0 "[ . 1 . 2]" 1
577 1 66 LEU H 1 66 LEU HG . . 3.760 2.827 1.938 3.774 0.014 4 0 "[ . 1 . 2]" 1
578 1 66 LEU H 1 67 SER H . . 5.130 4.477 4.297 4.699 . 0 0 "[ . 1 . 2]" 1
579 1 66 LEU HA 1 66 LEU HB3 . . 3.000 2.375 2.241 2.622 . 0 0 "[ . 1 . 2]" 1
580 1 66 LEU HA 1 67 SER H . . 3.240 2.345 2.237 2.517 . 0 0 "[ . 1 . 2]" 1
581 1 66 LEU HA 1 70 GLN HE21 . . 3.850 3.879 3.778 3.919 0.069 13 0 "[ . 1 . 2]" 1
582 1 66 LEU HB2 1 66 LEU HG . . 2.690 2.821 2.231 2.890 0.200 9 0 "[ . 1 . 2]" 1
583 1 66 LEU HB2 1 67 SER H . . 4.700 3.148 2.214 4.223 . 0 0 "[ . 1 . 2]" 1
584 1 66 LEU HB3 1 67 SER H . . 4.580 3.325 2.689 3.724 . 0 0 "[ . 1 . 2]" 1
585 1 66 LEU HB3 1 70 GLN QG . . 4.020 3.593 2.586 4.054 0.034 9 0 "[ . 1 . 2]" 1
586 1 66 LEU QD 1 67 SER H . . 4.800 3.696 3.224 4.263 . 0 0 "[ . 1 . 2]" 1
587 1 66 LEU QD 1 70 GLN QG . . 4.260 2.761 2.187 4.010 . 0 0 "[ . 1 . 2]" 1
588 1 66 LEU QD 1 71 ARG QD . . 3.960 3.140 2.128 4.073 0.113 8 0 "[ . 1 . 2]" 1
589 1 66 LEU HG 1 67 SER H . . 5.500 4.800 4.101 5.177 . 0 0 "[ . 1 . 2]" 1
590 1 67 SER H 1 67 SER HB2 . . 3.980 2.831 2.152 3.342 . 0 0 "[ . 1 . 2]" 1
591 1 67 SER H 1 70 GLN H . . 4.570 4.222 3.804 4.570 0.000 7 0 "[ . 1 . 2]" 1
592 1 67 SER H 1 70 GLN QB . . 3.590 2.487 2.145 3.005 . 0 0 "[ . 1 . 2]" 1
593 1 67 SER H 1 70 GLN HE21 . . 4.650 4.135 2.736 4.586 . 0 0 "[ . 1 . 2]" 1
594 1 67 SER H 1 70 GLN HE22 . . 5.500 3.803 3.299 4.555 . 0 0 "[ . 1 . 2]" 1
595 1 67 SER H 1 71 ARG H . . 5.310 4.380 4.024 4.954 . 0 0 "[ . 1 . 2]" 1
596 1 67 SER HB3 1 70 GLN QB . . 3.090 2.308 2.036 3.113 0.023 8 0 "[ . 1 . 2]" 1
597 1 67 SER HB3 1 71 ARG H . . 4.640 4.488 4.181 4.685 0.045 20 0 "[ . 1 . 2]" 1
598 1 69 LEU HB3 1 70 GLN H . . 4.550 3.069 2.447 4.234 . 0 0 "[ . 1 . 2]" 1
599 1 70 GLN H 1 70 GLN QB . . 3.040 2.180 2.098 2.304 . 0 0 "[ . 1 . 2]" 1
600 1 70 GLN H 1 71 ARG H . . 3.790 2.816 2.512 3.070 . 0 0 "[ . 1 . 2]" 1
601 1 70 GLN H 1 72 HIS HB2 . . 5.320 4.943 4.304 5.324 0.004 19 0 "[ . 1 . 2]" 1
602 1 70 GLN QB 1 71 ARG H . . 4.180 2.571 2.379 2.956 . 0 0 "[ . 1 . 2]" 1
603 1 70 GLN QG 1 74 LEU QD . . 5.020 3.500 2.226 4.668 . 0 0 "[ . 1 . 2]" 1
604 1 71 ARG HA 1 74 LEU QD . . 5.260 3.187 2.645 4.039 . 0 0 "[ . 1 . 2]" 1
605 1 71 ARG HA 1 75 VAL H . . 4.340 4.008 3.829 4.321 . 0 0 "[ . 1 . 2]" 1
606 1 71 ARG QB 1 72 HIS H . . 3.830 3.288 2.561 3.613 . 0 0 "[ . 1 . 2]" 1
607 1 71 ARG QB 1 94 ALA MB . . 4.570 3.645 2.533 4.582 0.012 7 0 "[ . 1 . 2]" 1
608 1 71 ARG QD 1 72 HIS HD2 . . 4.030 3.648 3.015 4.082 0.052 17 0 "[ . 1 . 2]" 1
609 1 71 ARG QD 1 94 ALA MB . . 4.500 2.847 2.036 3.650 . 0 0 "[ . 1 . 2]" 1
610 1 71 ARG QG 1 72 HIS HB2 . . 3.700 3.780 3.745 3.834 0.134 10 0 "[ . 1 . 2]" 1
611 1 72 HIS H 1 72 HIS HB2 . . 3.370 2.072 1.929 2.191 . 0 0 "[ . 1 . 2]" 1
612 1 72 HIS H 1 72 HIS HB3 . . 3.660 3.447 3.350 3.527 . 0 0 "[ . 1 . 2]" 1
613 1 72 HIS H 1 72 HIS HD2 . . 3.720 2.804 2.543 3.583 . 0 0 "[ . 1 . 2]" 1
614 1 72 HIS H 1 92 ILE MD . . 4.810 4.782 4.502 4.857 0.047 2 0 "[ . 1 . 2]" 1
615 1 72 HIS H 1 94 ALA MB . . 4.900 4.416 3.446 4.917 0.017 17 0 "[ . 1 . 2]" 1
616 1 72 HIS HA 1 72 HIS HD2 . . 3.260 2.959 2.220 3.294 0.034 4 0 "[ . 1 . 2]" 1
617 1 72 HIS HA 1 75 VAL H . . 4.000 3.516 3.179 3.825 . 0 0 "[ . 1 . 2]" 1
618 1 72 HIS HA 1 92 ILE MD . . 3.020 2.572 2.155 2.806 . 0 0 "[ . 1 . 2]" 1
619 1 72 HIS HB2 1 73 ARG H . . 3.660 2.781 2.668 2.894 . 0 0 "[ . 1 . 2]" 1
620 1 72 HIS HB2 1 74 LEU H . . 5.260 5.197 5.009 5.266 0.006 11 0 "[ . 1 . 2]" 1
621 1 72 HIS HB2 1 76 HIS HE1 . . 5.370 5.058 4.383 5.393 0.023 20 0 "[ . 1 . 2]" 1
622 1 72 HIS HB3 1 73 ARG H . . 3.960 3.097 2.868 3.486 . 0 0 "[ . 1 . 2]" 1
623 1 72 HIS HB3 1 76 HIS HE1 . . 4.630 3.365 2.685 3.783 . 0 0 "[ . 1 . 2]" 1
624 1 72 HIS HB3 1 92 ILE MD . . 4.260 3.623 3.000 4.203 . 0 0 "[ . 1 . 2]" 1
625 1 72 HIS HD2 1 92 ILE MD . . 4.020 3.490 2.325 4.015 . 0 0 "[ . 1 . 2]" 1
626 1 72 HIS HD2 1 94 ALA MB . . 4.010 2.580 2.193 3.635 . 0 0 "[ . 1 . 2]" 1
627 1 72 HIS HE1 1 92 ILE H . . 4.890 4.537 3.492 4.898 0.008 6 0 "[ . 1 . 2]" 1
628 1 72 HIS HE1 1 92 ILE MD . . 5.290 3.617 2.934 4.658 . 0 0 "[ . 1 . 2]" 1
629 1 72 HIS HE1 1 92 ILE QG . . 4.750 3.414 2.524 4.687 . 0 0 "[ . 1 . 2]" 1
630 1 73 ARG H 1 73 ARG QB . . 3.250 2.260 2.154 2.435 . 0 0 "[ . 1 . 2]" 1
631 1 73 ARG H 1 74 LEU H . . 3.900 2.915 2.795 3.008 . 0 0 "[ . 1 . 2]" 1
632 1 73 ARG HA 1 76 HIS H . . 4.200 3.380 3.095 3.882 . 0 0 "[ . 1 . 2]" 1
633 1 73 ARG HA 1 76 HIS HB2 . . 3.740 2.389 2.218 2.747 . 0 0 "[ . 1 . 2]" 1
634 1 73 ARG QB 1 74 LEU H . . 3.630 2.681 2.427 2.850 . 0 0 "[ . 1 . 2]" 1
635 1 74 LEU H 1 74 LEU HB2 . . 3.540 2.203 2.085 2.388 . 0 0 "[ . 1 . 2]" 1
636 1 74 LEU H 1 74 LEU HB3 . . 3.400 2.941 2.465 3.479 0.079 20 0 "[ . 1 . 2]" 1
637 1 74 LEU H 1 74 LEU QD . . 4.520 3.580 2.670 3.795 . 0 0 "[ . 1 . 2]" 1
638 1 74 LEU H 1 74 LEU HG . . 4.360 4.038 2.464 4.419 0.059 15 0 "[ . 1 . 2]" 1
639 1 74 LEU H 1 75 VAL H . . 3.530 2.939 2.850 3.141 . 0 0 "[ . 1 . 2]" 1
640 1 74 LEU H 1 77 ALA H . . 4.970 4.818 4.722 4.915 . 0 0 "[ . 1 . 2]" 1
641 1 74 LEU HA 1 74 LEU QD . . 3.840 2.487 1.972 2.943 . 0 0 "[ . 1 . 2]" 1
642 1 74 LEU HB2 1 75 VAL H . . 3.570 3.449 2.554 3.662 0.092 15 0 "[ . 1 . 2]" 1
643 1 74 LEU HB3 1 75 VAL H . . 3.490 2.613 2.202 3.492 0.002 3 0 "[ . 1 . 2]" 1
644 1 74 LEU QD 1 75 VAL H . . 4.960 3.588 3.010 4.260 . 0 0 "[ . 1 . 2]" 1
645 1 74 LEU HG 1 75 VAL H . . 5.290 4.812 3.368 5.232 . 0 0 "[ . 1 . 2]" 1
646 1 75 VAL H 1 75 VAL HB . . 3.370 2.568 2.391 2.927 . 0 0 "[ . 1 . 2]" 1
647 1 75 VAL H 1 75 VAL MG1 . . 4.300 3.835 3.762 3.888 . 0 0 "[ . 1 . 2]" 1
648 1 75 VAL H 1 75 VAL MG2 . . 4.130 2.201 2.111 2.314 . 0 0 "[ . 1 . 2]" 1
649 1 75 VAL H 1 76 HIS H . . 3.640 2.734 2.566 2.872 . 0 0 "[ . 1 . 2]" 1
650 1 75 VAL H 1 76 HIS HD2 . . 5.430 4.695 4.269 5.063 . 0 0 "[ . 1 . 2]" 1
651 1 75 VAL H 1 92 ILE MD . . 5.500 4.640 3.946 5.238 . 0 0 "[ . 1 . 2]" 1
652 1 75 VAL HA 1 75 VAL MG1 . . 3.460 2.459 2.243 2.558 . 0 0 "[ . 1 . 2]" 1
653 1 75 VAL HA 1 75 VAL MG2 . . 3.360 2.394 2.303 2.644 . 0 0 "[ . 1 . 2]" 1
654 1 75 VAL HA 1 78 ALA MB . . 3.890 3.375 2.506 3.894 0.004 14 0 "[ . 1 . 2]" 1
655 1 75 VAL HA 1 79 LEU H . . 3.560 3.089 2.839 3.573 0.013 20 0 "[ . 1 . 2]" 1
656 1 75 VAL HA 1 79 LEU MD2 . . 4.770 3.236 2.062 4.755 . 0 0 "[ . 1 . 2]" 1
657 1 75 VAL HB 1 76 HIS H . . 3.610 2.807 2.626 2.983 . 0 0 "[ . 1 . 2]" 1
658 1 75 VAL HB 1 76 HIS HD2 . . 4.480 2.819 2.741 2.921 . 0 0 "[ . 1 . 2]" 1
659 1 75 VAL HB 1 92 ILE MD . . 4.080 2.840 2.241 3.577 . 0 0 "[ . 1 . 2]" 1
660 1 75 VAL MG1 1 76 HIS H . . 3.910 3.573 3.392 3.922 0.012 1 0 "[ . 1 . 2]" 1
661 1 75 VAL MG1 1 76 HIS HD2 . . 5.500 2.722 2.381 3.609 . 0 0 "[ . 1 . 2]" 1
662 1 75 VAL MG2 1 76 HIS H . . 4.400 3.962 3.644 4.075 . 0 0 "[ . 1 . 2]" 1
663 1 75 VAL MG2 1 76 HIS HD2 . . 4.350 4.368 4.348 4.384 0.034 2 0 "[ . 1 . 2]" 1
664 1 76 HIS H 1 76 HIS HB2 . . 3.380 2.451 2.333 2.582 . 0 0 "[ . 1 . 2]" 1
665 1 76 HIS H 1 76 HIS HB3 . . 3.620 3.606 3.554 3.630 0.010 8 0 "[ . 1 . 2]" 1
666 1 76 HIS H 1 76 HIS HD2 . . 3.980 2.901 2.481 3.180 . 0 0 "[ . 1 . 2]" 1
667 1 76 HIS H 1 77 ALA H . . 4.200 2.652 2.554 2.767 . 0 0 "[ . 1 . 2]" 1
668 1 76 HIS H 1 79 LEU H . . 4.320 4.463 4.427 4.525 0.205 17 0 "[ . 1 . 2]" 1
669 1 76 HIS H 1 92 ILE MD . . 4.660 4.522 4.071 4.732 0.072 17 0 "[ . 1 . 2]" 1
670 1 76 HIS HA 1 76 HIS HD2 . . 3.350 2.670 2.378 2.958 . 0 0 "[ . 1 . 2]" 1
671 1 76 HIS HA 1 79 LEU H . . 4.260 4.182 3.648 4.316 0.056 14 0 "[ . 1 . 2]" 1
672 1 76 HIS HB2 1 77 ALA H . . 3.630 2.762 2.516 2.978 . 0 0 "[ . 1 . 2]" 1
673 1 76 HIS HB3 1 77 ALA H . . 4.030 3.693 3.423 3.934 . 0 0 "[ . 1 . 2]" 1
674 1 76 HIS HB3 1 77 ALA MB . . 4.930 4.526 4.215 4.830 . 0 0 "[ . 1 . 2]" 1
675 1 76 HIS HD2 1 92 ILE MD . . 3.180 2.934 2.468 3.204 0.024 10 0 "[ . 1 . 2]" 1
676 1 76 HIS HD2 1 92 ILE MG . . 5.260 4.305 3.668 4.936 . 0 0 "[ . 1 . 2]" 1
677 1 76 HIS HE1 1 92 ILE MD . . 4.250 4.080 3.402 4.268 0.018 7 0 "[ . 1 . 2]" 1
678 1 77 ALA H 1 77 ALA MB . . 3.250 2.253 2.207 2.318 . 0 0 "[ . 1 . 2]" 1
679 1 77 ALA H 1 78 ALA H . . 3.420 2.556 2.453 2.733 . 0 0 "[ . 1 . 2]" 1
680 1 77 ALA H 1 79 LEU H . . 4.790 4.045 3.838 4.354 . 0 0 "[ . 1 . 2]" 1
681 1 77 ALA HA 1 80 ALA H . . 4.280 4.305 4.052 4.387 0.107 10 0 "[ . 1 . 2]" 1
682 1 77 ALA MB 1 78 ALA H . . 3.570 2.627 2.300 2.954 . 0 0 "[ . 1 . 2]" 1
683 1 78 ALA H 1 78 ALA MB . . 3.200 2.277 2.204 2.357 . 0 0 "[ . 1 . 2]" 1
684 1 78 ALA H 1 80 ALA H . . 5.410 4.216 3.932 4.439 . 0 0 "[ . 1 . 2]" 1
685 1 78 ALA HA 1 80 ALA H . . 4.350 4.271 3.863 4.471 0.121 6 0 "[ . 1 . 2]" 1
686 1 78 ALA MB 1 79 LEU H . . 3.250 2.819 2.426 3.194 . 0 0 "[ . 1 . 2]" 1
687 1 78 ALA MB 1 79 LEU MD1 . . 3.730 3.464 2.534 3.799 0.069 6 0 "[ . 1 . 2]" 1
688 1 79 LEU H 1 79 LEU HB2 . . 3.420 2.521 2.358 2.675 . 0 0 "[ . 1 . 2]" 1
689 1 79 LEU H 1 79 LEU HB3 . . 3.870 3.632 3.129 3.795 . 0 0 "[ . 1 . 2]" 1
690 1 79 LEU H 1 79 LEU MD1 . . 4.370 3.870 3.193 4.259 . 0 0 "[ . 1 . 2]" 1
691 1 79 LEU H 1 79 LEU MD2 . . 4.370 3.319 2.586 4.377 0.007 19 0 "[ . 1 . 2]" 1
692 1 79 LEU H 1 80 ALA H . . 3.740 2.551 2.304 2.841 . 0 0 "[ . 1 . 2]" 1
693 1 79 LEU HA 1 79 LEU MD1 . . 3.450 2.546 2.016 3.451 0.001 3 0 "[ . 1 . 2]" 1
694 1 79 LEU HA 1 81 GLU H . . 4.660 3.902 3.331 4.515 . 0 0 "[ . 1 . 2]" 1
695 1 79 LEU HA 1 82 GLU H . . 4.400 3.388 2.948 3.804 . 0 0 "[ . 1 . 2]" 1
696 1 79 LEU HB2 1 79 LEU MD1 . . 3.340 2.808 2.326 3.285 . 0 0 "[ . 1 . 2]" 1
697 1 79 LEU HB2 1 79 LEU MD2 . . 3.610 2.602 2.183 3.306 . 0 0 "[ . 1 . 2]" 1
698 1 79 LEU HB2 1 80 ALA H . . 4.360 4.039 3.754 4.363 0.003 19 0 "[ . 1 . 2]" 1
699 1 79 LEU HB3 1 79 LEU MD2 . . 2.980 2.825 2.374 3.115 0.135 17 0 "[ . 1 . 2]" 1
700 1 79 LEU HB3 1 83 LEU H . . 3.150 3.190 3.121 3.230 0.080 19 0 "[ . 1 . 2]" 1
701 1 79 LEU MD1 1 80 ALA H . . 5.180 4.903 4.503 5.335 0.155 7 0 "[ . 1 . 2]" 1
702 1 79 LEU MD1 1 82 GLU H . . 4.510 4.442 4.067 4.622 0.112 6 0 "[ . 1 . 2]" 1
703 1 79 LEU MD1 1 82 GLU HG2 . . 4.410 4.289 3.146 4.469 0.059 2 0 "[ . 1 . 2]" 1
704 1 80 ALA H 1 80 ALA MB . . 3.080 2.237 2.130 2.383 . 0 0 "[ . 1 . 2]" 1
705 1 80 ALA H 1 81 GLU H . . 3.800 3.134 2.824 3.447 . 0 0 "[ . 1 . 2]" 1
706 1 80 ALA H 1 82 GLU H . . 5.050 4.297 4.127 4.585 . 0 0 "[ . 1 . 2]" 1
707 1 80 ALA HA 1 82 GLU H . . 4.100 4.156 4.108 4.208 0.108 6 0 "[ . 1 . 2]" 1
708 1 80 ALA HA 1 83 LEU H . . 3.840 3.817 3.561 3.893 0.053 19 0 "[ . 1 . 2]" 1
709 1 80 ALA MB 1 81 GLU H . . 3.420 2.718 2.300 3.073 . 0 0 "[ . 1 . 2]" 1
710 1 81 GLU H 1 81 GLU QB . . 3.100 2.359 2.147 2.586 . 0 0 "[ . 1 . 2]" 1
711 1 81 GLU H 1 82 GLU H . . 3.900 2.571 2.346 2.763 . 0 0 "[ . 1 . 2]" 1
712 1 81 GLU H 1 82 GLU HG2 . . 4.540 4.471 3.685 4.591 0.051 11 0 "[ . 1 . 2]" 1
713 1 81 GLU H 1 82 GLU HG3 . . 5.000 3.784 3.101 5.035 0.035 6 0 "[ . 1 . 2]" 1
714 1 81 GLU HA 1 81 GLU QG . . 3.680 2.510 2.236 3.418 . 0 0 "[ . 1 . 2]" 1
715 1 81 GLU HA 1 84 GLY H . . 3.840 3.743 3.340 3.911 0.071 19 0 "[ . 1 . 2]" 1
716 1 81 GLU QB 1 82 GLU H . . 3.480 3.194 2.894 3.535 0.055 6 0 "[ . 1 . 2]" 1
717 1 82 GLU H 1 82 GLU HB2 . . 3.580 2.353 2.083 3.628 0.048 5 0 "[ . 1 . 2]" 1
718 1 82 GLU H 1 82 GLU HB3 . . 3.060 3.294 3.095 3.351 0.291 2 0 "[ . 1 . 2]" 1
719 1 82 GLU H 1 82 GLU HG2 . . 4.310 2.844 1.883 3.139 . 0 0 "[ . 1 . 2]" 1
720 1 82 GLU H 1 82 GLU HG3 . . 4.350 2.390 2.015 2.827 . 0 0 "[ . 1 . 2]" 1
721 1 82 GLU H 1 83 LEU HB2 . . 5.170 4.220 3.747 5.968 0.798 13 1 "[ . 1 + . 2]" 1
722 1 82 GLU H 1 84 GLY H . . 3.690 3.638 3.436 3.748 0.058 17 0 "[ . 1 . 2]" 1
723 1 82 GLU HA 1 82 GLU HG3 . . 3.480 3.479 3.285 3.663 0.183 6 0 "[ . 1 . 2]" 1
724 1 82 GLU HB2 1 83 LEU H . . 4.090 2.588 2.200 3.939 . 0 0 "[ . 1 . 2]" 1
725 1 82 GLU HB2 1 84 GLY H . . 5.500 4.876 4.438 5.574 0.074 6 0 "[ . 1 . 2]" 1
726 1 82 GLU HG3 1 84 GLY H . . 6.000 5.879 5.239 6.102 0.102 16 0 "[ . 1 . 2]" 1
727 1 83 LEU H 1 83 LEU HB2 . . 2.840 2.091 1.745 3.445 0.605 13 1 "[ . 1 + . 2]" 1
728 1 83 LEU H 1 83 LEU HB3 . . 3.410 2.807 2.181 3.063 . 0 0 "[ . 1 . 2]" 1
729 1 83 LEU H 1 83 LEU MD1 . . 4.930 3.727 2.639 4.330 . 0 0 "[ . 1 . 2]" 1
730 1 83 LEU H 1 84 GLY H . . 3.750 2.555 2.336 2.832 . 0 0 "[ . 1 . 2]" 1
731 1 83 LEU H 1 85 GLY H . . 5.300 4.050 3.586 5.283 . 0 0 "[ . 1 . 2]" 1
732 1 83 LEU HA 1 83 LEU MD2 . . 4.390 3.220 2.130 3.871 . 0 0 "[ . 1 . 2]" 1
733 1 83 LEU HB2 1 85 GLY H . . 5.000 5.087 4.970 5.178 0.178 10 0 "[ . 1 . 2]" 1
734 1 83 LEU HB3 1 84 GLY H . . 4.260 2.741 2.423 3.845 . 0 0 "[ . 1 . 2]" 1
735 1 83 LEU HB3 1 85 GLY H . . 4.620 4.630 3.490 5.068 0.448 13 0 "[ . 1 . 2]" 1
736 1 84 GLY H 1 85 GLY H . . 3.510 2.450 1.895 3.047 . 0 0 "[ . 1 . 2]" 1
737 1 84 GLY H 1 87 VAL H . . 5.900 5.602 5.302 5.949 0.049 5 0 "[ . 1 . 2]" 1
738 1 84 GLY H 1 87 VAL MG1 . . 6.000 5.939 5.604 6.050 0.050 10 0 "[ . 1 . 2]" 1
739 1 84 GLY H 1 87 VAL MG2 . . 5.870 4.952 4.156 5.892 0.022 14 0 "[ . 1 . 2]" 1
740 1 84 GLY HA3 1 85 GLY H . . 3.320 3.318 2.637 3.415 0.095 1 0 "[ . 1 . 2]" 1
741 1 85 GLY H 1 86 PRO HA . . 5.500 5.455 5.134 5.545 0.045 10 0 "[ . 1 . 2]" 1
742 1 85 GLY H 1 86 PRO HB3 . . 5.500 5.651 5.620 5.690 0.190 5 0 "[ . 1 . 2]" 1
743 1 85 GLY H 1 86 PRO HD3 . . 3.950 3.161 3.024 3.753 . 0 0 "[ . 1 . 2]" 1
744 1 85 GLY H 1 87 VAL H . . 5.200 3.932 3.305 4.603 . 0 0 "[ . 1 . 2]" 1
745 1 85 GLY H 1 87 VAL MG1 . . 5.600 5.420 4.440 5.689 0.089 6 0 "[ . 1 . 2]" 1
746 1 85 GLY H 1 87 VAL MG2 . . 5.130 4.061 2.773 5.131 0.001 8 0 "[ . 1 . 2]" 1
747 1 85 GLY QA 1 86 PRO HD2 . . 3.020 2.977 2.740 3.062 0.042 5 0 "[ . 1 . 2]" 1
748 1 86 PRO HA 1 87 VAL QG . . 4.570 4.276 4.065 4.507 . 0 0 "[ . 1 . 2]" 1
749 1 86 PRO HD2 1 87 VAL QG . . 5.500 2.887 2.290 3.591 . 0 0 "[ . 1 . 2]" 1
750 1 86 PRO QG 1 87 VAL H . . 5.500 3.311 2.528 4.017 . 0 0 "[ . 1 . 2]" 1
751 1 87 VAL H 1 87 VAL HB . . 3.350 3.052 2.462 3.511 0.161 19 0 "[ . 1 . 2]" 1
752 1 87 VAL H 1 88 HIS H . . 5.300 4.425 4.053 4.617 . 0 0 "[ . 1 . 2]" 1
753 1 87 VAL H 1 90 LEU QD . . 5.110 4.342 4.092 4.598 . 0 0 "[ . 1 . 2]" 1
754 1 87 VAL HA 1 88 HIS H . . 3.540 2.226 2.031 2.426 . 0 0 "[ . 1 . 2]" 1
755 1 87 VAL HA 1 88 HIS HD2 . . 4.450 3.935 2.641 4.572 0.122 10 0 "[ . 1 . 2]" 1
756 1 87 VAL HA 1 89 ALA H . . 4.410 4.013 3.600 4.414 0.004 2 0 "[ . 1 . 2]" 1
757 1 87 VAL QG 1 88 HIS H . . 4.490 2.931 2.022 3.566 . 0 0 "[ . 1 . 2]" 1
758 1 87 VAL QG 1 89 ALA H . . 4.000 2.846 2.191 4.025 0.025 5 0 "[ . 1 . 2]" 1
759 1 87 VAL QG 1 89 ALA MB . . 4.580 4.120 3.666 4.939 0.359 5 0 "[ . 1 . 2]" 1
760 1 87 VAL MG1 1 88 HIS HD2 . . 5.450 4.800 3.920 5.471 0.021 4 0 "[ . 1 . 2]" 1
761 1 88 HIS H 1 88 HIS HB3 . . 4.180 3.135 1.977 3.708 . 0 0 "[ . 1 . 2]" 1
762 1 88 HIS H 1 88 HIS HD2 . . 4.140 2.768 2.459 3.375 . 0 0 "[ . 1 . 2]" 1
763 1 88 HIS H 1 89 ALA H . . 3.680 2.381 2.029 2.820 . 0 0 "[ . 1 . 2]" 1
764 1 88 HIS H 1 90 LEU QD . . 5.010 4.905 4.136 5.551 0.541 20 1 "[ . 1 . +]" 1
765 1 88 HIS HA 1 88 HIS HD2 . . 4.090 4.061 3.634 4.174 0.084 16 0 "[ . 1 . 2]" 1
766 1 88 HIS HB2 1 89 ALA H . . 4.580 3.432 2.550 4.584 0.004 16 0 "[ . 1 . 2]" 1
767 1 88 HIS HB3 1 89 ALA H . . 4.260 3.712 3.425 3.970 . 0 0 "[ . 1 . 2]" 1
768 1 89 ALA H 1 90 LEU H . . 5.500 4.357 4.205 4.445 . 0 0 "[ . 1 . 2]" 1
769 1 89 ALA H 1 90 LEU QD . . 4.120 4.085 3.691 4.608 0.488 19 0 "[ . 1 . 2]" 1
770 1 89 ALA HA 1 90 LEU H . . 3.010 2.229 2.115 2.337 . 0 0 "[ . 1 . 2]" 1
771 1 89 ALA MB 1 90 LEU H . . 3.880 2.813 2.517 3.155 . 0 0 "[ . 1 . 2]" 1
772 1 90 LEU H 1 90 LEU HB2 . . 3.870 3.916 2.637 4.010 0.140 18 0 "[ . 1 . 2]" 1
773 1 90 LEU H 1 90 LEU MD1 . . 4.990 4.468 4.220 4.600 . 0 0 "[ . 1 . 2]" 1
774 1 90 LEU H 1 90 LEU QD . . 4.450 2.400 2.148 3.887 . 0 0 "[ . 1 . 2]" 1
775 1 90 LEU H 1 90 LEU HG . . 3.860 3.743 3.489 3.880 0.020 3 0 "[ . 1 . 2]" 1
776 1 90 LEU HA 1 90 LEU QD . . 3.880 3.360 2.275 3.439 . 0 0 "[ . 1 . 2]" 1
777 1 90 LEU HA 1 90 LEU MD2 . . 3.800 3.617 2.296 3.720 . 0 0 "[ . 1 . 2]" 1
778 1 90 LEU HA 1 91 ALA H . . 3.290 2.249 2.145 2.353 . 0 0 "[ . 1 . 2]" 1
779 1 90 LEU HG 1 91 ALA H . . 5.000 3.859 3.460 4.195 . 0 0 "[ . 1 . 2]" 1
780 1 91 ALA H 1 91 ALA MB . . 3.600 2.613 2.363 2.782 . 0 0 "[ . 1 . 2]" 1
781 1 91 ALA HA 1 92 ILE H . . 3.330 2.196 2.118 2.287 . 0 0 "[ . 1 . 2]" 1
782 1 91 ALA MB 1 92 ILE H . . 3.470 2.962 2.841 3.240 . 0 0 "[ . 1 . 2]" 1
783 1 92 ILE H 1 92 ILE HB . . 3.750 3.761 3.693 3.817 0.067 14 0 "[ . 1 . 2]" 1
784 1 92 ILE H 1 92 ILE MD . . 3.760 3.762 3.568 3.849 0.089 17 0 "[ . 1 . 2]" 1
785 1 92 ILE H 1 92 ILE HG12 . . 5.310 2.799 2.218 3.703 . 0 0 "[ . 1 . 2]" 1
786 1 92 ILE H 1 92 ILE QG . . 3.440 2.181 2.105 2.251 . 0 0 "[ . 1 . 2]" 1
787 1 92 ILE H 1 92 ILE HG13 . . 5.030 2.638 2.194 3.460 . 0 0 "[ . 1 . 2]" 1
788 1 92 ILE H 1 92 ILE MG . . 4.180 2.830 2.550 3.067 . 0 0 "[ . 1 . 2]" 1
789 1 92 ILE HA 1 92 ILE MG . . 3.560 2.311 2.232 2.391 . 0 0 "[ . 1 . 2]" 1
790 1 92 ILE HA 1 93 GLN H . . 2.980 2.221 2.125 2.282 . 0 0 "[ . 1 . 2]" 1
791 1 92 ILE HB 1 93 GLN H . . 5.090 2.756 2.570 3.105 . 0 0 "[ . 1 . 2]" 1
792 1 92 ILE MD 1 93 GLN H . . 5.050 4.130 3.339 4.682 . 0 0 "[ . 1 . 2]" 1
793 1 92 ILE MD 1 93 GLN HA . . 4.690 3.930 2.630 4.725 0.035 10 0 "[ . 1 . 2]" 1
794 1 92 ILE MD 1 94 ALA H . . 5.040 3.717 2.519 4.857 . 0 0 "[ . 1 . 2]" 1
795 1 92 ILE MG 1 93 GLN H . . 4.130 3.761 3.508 3.923 . 0 0 "[ . 1 . 2]" 1
796 1 93 GLN H 1 93 GLN QB . . 3.610 2.617 2.415 2.862 . 0 0 "[ . 1 . 2]" 1
797 1 93 GLN H 1 94 ALA H . . 5.500 4.229 3.857 4.468 . 0 0 "[ . 1 . 2]" 1
798 1 93 GLN QB 1 94 ALA H . . 5.500 3.364 2.801 3.749 . 0 0 "[ . 1 . 2]" 1
799 1 93 GLN QB 1 94 ALA HA . . 4.730 4.402 4.217 4.582 . 0 0 "[ . 1 . 2]" 1
800 1 93 GLN QB 1 95 ARG H . . 5.500 5.153 4.817 5.536 0.036 7 0 "[ . 1 . 2]" 1
801 1 94 ALA HA 1 95 ARG H . . 3.060 2.149 2.023 2.228 . 0 0 "[ . 1 . 2]" 1
802 1 94 ALA MB 1 95 ARG H . . 4.240 3.205 2.953 3.499 . 0 0 "[ . 1 . 2]" 1
803 1 94 ALA MB 1 95 ARG HA . . 5.500 4.296 3.878 4.500 . 0 0 "[ . 1 . 2]" 1
804 1 95 ARG H 1 95 ARG HB3 . . 4.000 3.673 3.461 3.900 . 0 0 "[ . 1 . 2]" 1
805 1 95 ARG H 1 96 THR H . . 5.500 4.503 4.456 4.581 . 0 0 "[ . 1 . 2]" 1
806 1 95 ARG HA 1 95 ARG HD2 . . 4.630 3.375 2.341 4.602 . 0 0 "[ . 1 . 2]" 1
807 1 95 ARG HA 1 95 ARG HD3 . . 5.320 4.056 2.959 4.624 . 0 0 "[ . 1 . 2]" 1
808 1 95 ARG HA 1 96 THR H . . 3.350 2.502 2.265 2.665 . 0 0 "[ . 1 . 2]" 1
809 1 95 ARG HA 1 96 THR MG . . 4.690 3.373 3.146 3.826 . 0 0 "[ . 1 . 2]" 1
810 1 95 ARG HB2 1 96 THR H . . 4.490 3.676 3.464 3.811 . 0 0 "[ . 1 . 2]" 1
811 1 95 ARG HB2 1 96 THR MG . . 5.340 5.341 5.255 5.394 0.054 9 0 "[ . 1 . 2]" 1
812 1 95 ARG HB3 1 96 THR H . . 4.010 2.312 2.123 2.731 . 0 0 "[ . 1 . 2]" 1
813 1 95 ARG HB3 1 100 TRP HE3 . . 4.420 4.243 3.316 4.471 0.051 10 0 "[ . 1 . 2]" 1
814 1 95 ARG HD2 1 96 THR H . . 5.500 5.073 3.792 5.519 0.019 19 0 "[ . 1 . 2]" 1
815 1 96 THR H 1 96 THR MG . . 4.080 2.680 2.340 2.977 . 0 0 "[ . 1 . 2]" 1
816 1 96 THR H 1 99 GLN H . . 4.530 4.380 4.064 4.596 0.066 15 0 "[ . 1 . 2]" 1
817 1 96 THR H 1 99 GLN QB . . 4.630 4.210 3.089 4.671 0.041 20 0 "[ . 1 . 2]" 1
818 1 96 THR H 1 100 TRP H . . 5.500 4.382 4.115 4.591 . 0 0 "[ . 1 . 2]" 1
819 1 96 THR HA 1 97 PRO HD3 . . 3.670 2.378 2.025 2.601 . 0 0 "[ . 1 . 2]" 1
820 1 96 THR HB 1 97 PRO HD2 . . 3.760 2.208 1.998 2.451 . 0 0 "[ . 1 . 2]" 1
821 1 96 THR MG 1 97 PRO HD2 . . 3.590 3.360 2.965 3.623 0.033 2 0 "[ . 1 . 2]" 1
822 1 96 THR MG 1 97 PRO HD3 . . 5.160 3.882 3.084 4.474 . 0 0 "[ . 1 . 2]" 1
823 1 97 PRO HA 1 100 TRP HB2 . . 4.630 3.373 3.117 3.785 . 0 0 "[ . 1 . 2]" 1
824 1 97 PRO HA 1 100 TRP HB3 . . 4.080 2.513 2.202 2.967 . 0 0 "[ . 1 . 2]" 1
825 1 97 PRO HA 1 101 ARG H . . 4.160 3.867 3.437 4.188 0.028 10 0 "[ . 1 . 2]" 1
826 1 97 PRO QB 1 98 ALA H . . 4.180 3.056 2.357 3.493 . 0 0 "[ . 1 . 2]" 1
827 1 97 PRO QB 1 100 TRP HB3 . . 4.630 4.052 3.698 4.420 . 0 0 "[ . 1 . 2]" 1
828 1 97 PRO QB 1 101 ARG HD2 . . 3.690 3.655 3.050 3.741 0.051 3 0 "[ . 1 . 2]" 1
829 1 97 PRO HD3 1 98 ALA H . . 4.860 4.262 4.080 4.512 . 0 0 "[ . 1 . 2]" 1
830 1 97 PRO QG 1 98 ALA H . . 4.000 2.778 2.233 4.006 0.006 13 0 "[ . 1 . 2]" 1
831 1 98 ALA H 1 98 ALA MB . . 3.380 2.221 2.168 2.272 . 0 0 "[ . 1 . 2]" 1
832 1 98 ALA H 1 99 GLN H . . 4.460 2.897 2.759 3.088 . 0 0 "[ . 1 . 2]" 1
833 1 98 ALA H 1 100 TRP HB3 . . 5.500 5.371 5.067 5.508 0.008 8 0 "[ . 1 . 2]" 1
834 1 98 ALA HA 1 101 ARG QB . . 3.680 2.742 2.059 3.734 0.054 4 0 "[ . 1 . 2]" 1
835 1 98 ALA HA 1 101 ARG HD2 . . 4.990 4.018 2.664 5.034 0.044 18 0 "[ . 1 . 2]" 1
836 1 98 ALA HA 1 101 ARG HG2 . . 3.840 3.710 2.231 3.964 0.124 7 0 "[ . 1 . 2]" 1
837 1 98 ALA MB 1 99 GLN H . . 4.050 2.926 2.704 3.196 . 0 0 "[ . 1 . 2]" 1
838 1 99 GLN H 1 100 TRP H . . 3.570 2.560 2.465 2.697 . 0 0 "[ . 1 . 2]" 1
839 1 99 GLN H 1 100 TRP HB2 . . 5.180 5.021 4.909 5.212 0.032 19 0 "[ . 1 . 2]" 1
840 1 99 GLN QG 1 101 ARG H . . 4.540 4.597 4.574 4.635 0.095 9 0 "[ . 1 . 2]" 1
841 1 100 TRP H 1 100 TRP HB2 . . 3.730 2.565 2.431 2.763 . 0 0 "[ . 1 . 2]" 1
842 1 100 TRP H 1 100 TRP HB3 . . 3.390 2.629 2.438 2.745 . 0 0 "[ . 1 . 2]" 1
843 1 100 TRP H 1 100 TRP HD1 . . 5.080 5.026 4.723 5.114 0.034 5 0 "[ . 1 . 2]" 1
844 1 100 TRP H 1 100 TRP HE3 . . 4.980 4.766 4.561 5.000 0.020 16 0 "[ . 1 . 2]" 1
845 1 100 TRP HA 1 100 TRP HD1 . . 4.250 4.168 3.934 4.323 0.073 13 0 "[ . 1 . 2]" 1
846 1 100 TRP HA 1 100 TRP HE1 . . 5.500 5.455 5.330 5.542 0.042 16 0 "[ . 1 . 2]" 1
847 1 100 TRP HA 1 100 TRP HE3 . . 3.590 3.262 3.049 3.513 . 0 0 "[ . 1 . 2]" 1
848 1 100 TRP HB2 1 100 TRP HE3 . . 4.190 2.649 2.512 2.808 . 0 0 "[ . 1 . 2]" 1
849 1 100 TRP HB2 1 101 ARG H . . 4.040 3.963 3.856 4.054 0.014 16 0 "[ . 1 . 2]" 1
850 1 100 TRP HB3 1 101 ARG H . . 4.080 2.759 2.627 2.927 . 0 0 "[ . 1 . 2]" 1
851 1 100 TRP HB3 1 101 ARG QB . . 5.300 4.756 3.733 5.147 . 0 0 "[ . 1 . 2]" 1
852 1 100 TRP HB3 1 101 ARG HG2 . . 5.460 4.118 3.054 5.339 . 0 0 "[ . 1 . 2]" 1
853 1 100 TRP HE1 1 101 ARG HA . . 5.500 5.297 4.624 5.521 0.021 4 0 "[ . 1 . 2]" 1
854 1 101 ARG H 1 101 ARG QB . . 3.090 2.529 2.373 3.051 . 0 0 "[ . 1 . 2]" 1
855 1 101 ARG H 1 102 GLU H . . 3.810 2.703 2.612 2.849 . 0 0 "[ . 1 . 2]" 1
856 1 101 ARG H 1 102 GLU QB . . 4.660 4.520 4.210 4.698 0.038 11 0 "[ . 1 . 2]" 1
857 1 101 ARG HA 1 101 ARG HG3 . . 3.780 3.518 2.764 3.824 0.044 18 0 "[ . 1 . 2]" 1
858 1 101 ARG QB 1 101 ARG HD3 . . 3.420 2.550 2.251 3.359 . 0 0 "[ . 1 . 2]" 1
859 1 101 ARG QB 1 102 GLU H . . 3.690 2.783 2.396 3.539 . 0 0 "[ . 1 . 2]" 1
860 1 102 GLU H 1 102 GLU QB . . 2.920 2.252 2.054 2.378 . 0 0 "[ . 1 . 2]" 1
861 1 102 GLU H 1 102 GLU QG . . 4.100 3.440 2.477 4.114 0.014 8 0 "[ . 1 . 2]" 1
862 1 102 GLU H 1 103 ASN H . . 3.760 2.733 2.479 3.028 . 0 0 "[ . 1 . 2]" 1
863 1 102 GLU HA 1 102 GLU QG . . 3.360 2.500 2.132 3.047 . 0 0 "[ . 1 . 2]" 1
864 1 102 GLU HA 1 104 SER H . . 5.500 5.231 4.888 5.531 0.031 17 0 "[ . 1 . 2]" 1
865 1 102 GLU QB 1 103 ASN H . . 3.490 2.418 2.008 2.942 . 0 0 "[ . 1 . 2]" 1
866 1 103 ASN H 1 103 ASN HB3 . . 4.060 2.942 2.553 3.241 . 0 0 "[ . 1 . 2]" 1
867 1 103 ASN H 1 104 SER HA . . 4.690 4.059 3.773 4.344 . 0 0 "[ . 1 . 2]" 1
868 1 103 ASN HA 1 104 SER H . . 3.550 3.351 3.055 3.510 . 0 0 "[ . 1 . 2]" 1
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