NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409139 |
1z9b   |
6577 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z9b
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 1378
_Distance_constraint_stats_list.Viol_count 2329
_Distance_constraint_stats_list.Viol_total 3047.839
_Distance_constraint_stats_list.Viol_max 0.926
_Distance_constraint_stats_list.Viol_rms 0.0332
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0654
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLU 0.680 0.186 4 0 "[ . 1 . 2]"
1 3 PHE 0.699 0.186 4 0 "[ . 1 . 2]"
1 4 GLU 0.093 0.024 19 0 "[ . 1 . 2]"
1 5 LEU 0.130 0.027 20 0 "[ . 1 . 2]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 THR 1.159 0.237 4 0 "[ . 1 . 2]"
1 8 ARG 0.016 0.016 16 0 "[ . 1 . 2]"
1 9 GLY 0.047 0.047 14 0 "[ . 1 . 2]"
1 10 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.844 0.124 4 0 "[ . 1 . 2]"
1 13 VAL 1.274 0.124 4 0 "[ . 1 . 2]"
1 14 ASP 0.386 0.084 18 0 "[ . 1 . 2]"
1 15 LEU 0.126 0.039 3 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.688 0.124 14 0 "[ . 1 . 2]"
1 18 GLN 1.263 0.169 7 0 "[ . 1 . 2]"
1 19 ARG 1.043 0.163 15 0 "[ . 1 . 2]"
1 20 SER 0.179 0.077 3 0 "[ . 1 . 2]"
1 21 VAL 2.302 0.457 18 0 "[ . 1 . 2]"
1 22 LYS 2.424 0.685 13 1 "[ . 1 + . 2]"
1 23 THR 2.248 0.685 13 1 "[ . 1 + . 2]"
1 24 ARG 2.508 0.457 18 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 1.502 0.184 15 0 "[ . 1 . 2]"
1 43 ASN 2.282 0.926 8 1 "[ . + 1 . 2]"
1 44 LEU 0.659 0.078 2 0 "[ . 1 . 2]"
1 45 ILE 5.743 0.637 3 4 "[* +*. - . 2]"
1 46 VAL 4.613 0.100 8 0 "[ . 1 . 2]"
1 47 LYS 1.700 0.127 13 0 "[ . 1 . 2]"
1 48 ALA 0.521 0.066 14 0 "[ . 1 . 2]"
1 49 ASP 0.079 0.040 20 0 "[ . 1 . 2]"
1 50 VAL 1.999 0.093 2 0 "[ . 1 . 2]"
1 51 GLN 8.745 0.697 4 3 "[ +. 1 .- *2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 2.629 0.149 20 0 "[ . 1 . 2]"
1 54 VAL 11.040 0.180 8 0 "[ . 1 . 2]"
1 55 GLU 8.902 0.603 4 2 "[ +. 1 . -2]"
1 56 ALA 1.581 0.184 1 0 "[ . 1 . 2]"
1 57 LEU 2.266 0.075 1 0 "[ . 1 . 2]"
1 58 VAL 1.102 0.065 19 0 "[ . 1 . 2]"
1 59 ALA 1.978 0.109 9 0 "[ . 1 . 2]"
1 60 ALA 1.965 0.106 10 0 "[ . 1 . 2]"
1 61 LEU 11.355 0.470 10 0 "[ . 1 . 2]"
1 62 GLN 5.951 0.361 12 0 "[ . 1 . 2]"
1 63 LYS 5.199 0.724 12 1 "[ . 1 + . 2]"
1 64 ILE 3.053 0.470 10 0 "[ . 1 . 2]"
1 66 VAL 0.268 0.119 12 0 "[ . 1 . 2]"
1 67 GLU 0.549 0.178 12 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 0.454 0.106 8 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 1.306 0.106 8 0 "[ . 1 . 2]"
1 72 LYS 1.118 0.256 14 0 "[ . 1 . 2]"
1 73 ILE 2.428 0.256 14 0 "[ . 1 . 2]"
1 74 ILE 1.689 0.230 17 0 "[ . 1 . 2]"
1 75 HIS 1.959 0.089 14 0 "[ . 1 . 2]"
1 76 ALA 3.195 0.139 5 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 VAL 4.014 0.697 4 2 "[ +. 1 .- 2]"
1 79 GLY 0.027 0.012 5 0 "[ . 1 . 2]"
1 80 ALA 2.383 0.140 2 0 "[ . 1 . 2]"
1 81 ILE 6.674 0.770 15 2 "[ . 1 +- 2]"
1 82 THR 7.560 0.510 15 2 "[ . 1 - + 2]"
1 83 GLU 1.434 0.147 10 0 "[ . 1 . 2]"
1 84 SER 0.688 0.114 16 0 "[ . 1 . 2]"
1 85 ASP 9.018 0.770 15 6 "[* **. - +* 2]"
1 86 ILE 8.740 0.677 15 4 "[ * - 1 + * 2]"
1 87 SER 2.083 0.130 15 0 "[ . 1 . 2]"
1 88 LEU 9.218 0.328 15 0 "[ . 1 . 2]"
1 89 ALA 0.569 0.143 18 0 "[ . 1 . 2]"
1 90 THR 7.189 0.540 18 1 "[ . 1 . + 2]"
1 91 ALA 2.431 0.136 11 0 "[ . 1 . 2]"
1 92 SER 0.515 0.152 9 0 "[ . 1 . 2]"
1 93 ASN 1.779 0.152 9 0 "[ . 1 . 2]"
1 94 ALA 3.786 0.926 8 1 "[ . + 1 . 2]"
1 95 ILE 1.669 0.118 2 0 "[ . 1 . 2]"
1 96 VAL 1.446 0.137 20 0 "[ . 1 . 2]"
1 97 ILE 1.026 0.118 5 0 "[ . 1 . 2]"
1 98 GLY 0.157 0.054 20 0 "[ . 1 . 2]"
1 99 PHE 2.382 0.140 2 0 "[ . 1 . 2]"
1 100 ASN 0.393 0.085 10 0 "[ . 1 . 2]"
1 101 VAL 2.985 0.116 12 0 "[ . 1 . 2]"
1 102 ARG 1.874 0.119 10 0 "[ . 1 . 2]"
1 103 PRO 9.730 0.817 19 3 "[ . 1 - * +2]"
1 104 ASP 0.185 0.039 17 0 "[ . 1 . 2]"
1 105 ALA 2.410 0.193 13 0 "[ . 1 . 2]"
1 106 ASN 0.891 0.135 19 0 "[ . 1 . 2]"
1 107 ALA 2.899 0.150 19 0 "[ . 1 . 2]"
1 108 LYS 7.164 0.348 1 0 "[ . 1 . 2]"
1 109 ARG 7.000 0.348 1 0 "[ . 1 . 2]"
1 110 ALA 4.489 0.198 5 0 "[ . 1 . 2]"
1 111 ALA 0.136 0.057 16 0 "[ . 1 . 2]"
1 112 GLU 3.614 0.181 15 0 "[ . 1 . 2]"
1 113 SER 2.223 0.143 16 0 "[ . 1 . 2]"
1 114 GLU 25.025 0.677 15 5 "[ * - 1 + ** 2]"
1 115 LYS 3.106 0.143 16 0 "[ . 1 . 2]"
1 116 VAL 14.162 0.480 11 0 "[ . 1 . 2]"
1 117 ASP 0.847 0.113 13 0 "[ . 1 . 2]"
1 118 ILE 6.144 0.817 19 1 "[ . 1 . +2]"
1 119 ARG 0.091 0.036 12 0 "[ . 1 . 2]"
1 120 LEU 2.644 0.134 16 0 "[ . 1 . 2]"
1 121 HIS 1.456 0.134 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU H 1 2 GLU HG2 . . 5.410 3.567 2.142 4.877 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLU H 1 2 GLU QG . . 4.680 2.971 2.106 4.237 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU H 1 2 GLU HG3 . . 5.410 3.554 2.166 4.843 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU QB 1 3 PHE H . . 3.660 3.039 1.866 3.813 0.153 20 0 "[ . 1 . 2]" 1
5 1 2 GLU QG 1 3 PHE H . . 4.830 4.009 2.822 4.516 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLU HG2 1 3 PHE H . . 5.500 4.659 3.396 5.686 0.186 4 0 "[ . 1 . 2]" 1
7 1 2 GLU HG3 1 3 PHE H . . 5.500 4.540 2.864 5.569 0.069 10 0 "[ . 1 . 2]" 1
8 1 3 PHE HA 1 4 GLU HA . . 4.670 4.388 4.187 4.689 0.019 19 0 "[ . 1 . 2]" 1
9 1 4 GLU H 1 4 GLU HG2 . . 5.190 3.639 2.103 4.737 . 0 0 "[ . 1 . 2]" 1
10 1 4 GLU H 1 4 GLU QG . . 4.470 3.096 2.058 4.141 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLU H 1 4 GLU HG3 . . 5.190 3.685 2.330 4.794 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLU HA 1 4 GLU QG . . 3.650 2.777 2.379 3.468 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLU HA 1 5 LEU QD . . 4.440 3.816 2.741 4.464 0.024 19 0 "[ . 1 . 2]" 1
14 1 4 GLU QB 1 4 GLU QG . . 2.310 2.040 1.983 2.091 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLU QB 1 5 LEU H . . 4.240 3.259 1.889 3.968 . 0 0 "[ . 1 . 2]" 1
16 1 5 LEU H 1 5 LEU HG . . 4.410 3.099 1.974 4.437 0.027 20 0 "[ . 1 . 2]" 1
17 1 5 LEU HA 1 5 LEU MD1 . . 4.100 3.421 2.096 4.117 0.017 2 0 "[ . 1 . 2]" 1
18 1 5 LEU HA 1 5 LEU QD . . 3.500 2.433 2.022 3.438 . 0 0 "[ . 1 . 2]" 1
19 1 5 LEU HA 1 5 LEU MD2 . . 4.100 2.864 2.029 4.107 0.007 10 0 "[ . 1 . 2]" 1
20 1 5 LEU HA 1 5 LEU HG . . 4.130 3.344 2.616 3.849 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU QB 1 6 GLY H . . 4.400 3.005 1.809 3.799 . 0 0 "[ . 1 . 2]" 1
22 1 5 LEU HB2 1 6 GLY H . . 5.100 3.361 1.856 4.429 . 0 0 "[ . 1 . 2]" 1
23 1 5 LEU HB3 1 6 GLY H . . 5.100 3.702 2.025 4.429 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLY QA 1 7 THR HA . . 4.590 3.997 3.844 4.118 . 0 0 "[ . 1 . 2]" 1
25 1 6 GLY HA2 1 7 THR HA . . 5.370 4.514 4.291 5.181 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLY HA3 1 7 THR HA . . 5.370 4.493 4.282 4.728 . 0 0 "[ . 1 . 2]" 1
27 1 7 THR HA 1 7 THR HB . . 2.710 2.636 2.361 2.947 0.237 4 0 "[ . 1 . 2]" 1
28 1 7 THR HA 1 7 THR MG . . 3.540 2.569 2.143 3.277 . 0 0 "[ . 1 . 2]" 1
29 1 7 THR MG 1 8 ARG H . . 4.500 3.796 2.491 4.284 . 0 0 "[ . 1 . 2]" 1
30 1 8 ARG HA 1 8 ARG HD2 . . 5.500 4.340 2.069 4.894 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG HA 1 8 ARG QD . . 4.790 3.758 1.886 4.477 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG HA 1 8 ARG HD3 . . 5.500 4.298 1.911 5.516 0.016 16 0 "[ . 1 . 2]" 1
33 1 8 ARG HA 1 8 ARG QG . . 3.600 2.647 2.228 3.360 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG QB 1 8 ARG QD . . 3.300 2.283 2.094 2.848 . 0 0 "[ . 1 . 2]" 1
35 1 9 GLY QA 1 12 ARG QD . . 4.760 3.275 2.092 4.807 0.047 14 0 "[ . 1 . 2]" 1
36 1 9 GLY QA 1 12 ARG QG . . 4.620 3.380 2.172 4.620 0.000 6 0 "[ . 1 . 2]" 1
37 1 9 GLY HA2 1 10 SER HA . . 5.500 4.539 4.216 5.323 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLY HA3 1 10 SER HA . . 5.500 4.550 4.221 4.816 . 0 0 "[ . 1 . 2]" 1
39 1 12 ARG H 1 12 ARG QG . . 4.740 2.546 1.989 4.135 . 0 0 "[ . 1 . 2]" 1
40 1 12 ARG H 1 13 VAL H . . 3.950 2.627 1.859 4.018 0.068 9 0 "[ . 1 . 2]" 1
41 1 12 ARG H 1 13 VAL HA . . 5.500 4.885 4.159 5.556 0.056 9 0 "[ . 1 . 2]" 1
42 1 12 ARG H 1 13 VAL QG . . 4.570 3.607 2.647 4.694 0.124 4 0 "[ . 1 . 2]" 1
43 1 12 ARG QB 1 12 ARG QD . . 3.320 2.246 2.089 2.412 . 0 0 "[ . 1 . 2]" 1
44 1 12 ARG QB 1 13 VAL QG . . 4.830 3.523 2.369 4.248 . 0 0 "[ . 1 . 2]" 1
45 1 12 ARG QD 1 13 VAL QG . . 4.340 3.691 2.724 4.439 0.099 8 0 "[ . 1 . 2]" 1
46 1 12 ARG QG 1 13 VAL HA . . 4.270 3.901 3.260 4.313 0.043 14 0 "[ . 1 . 2]" 1
47 1 12 ARG QG 1 13 VAL HB . . 4.990 4.446 2.761 5.076 0.086 12 0 "[ . 1 . 2]" 1
48 1 12 ARG QG 1 13 VAL QG . . 3.170 2.351 1.901 3.202 0.032 8 0 "[ . 1 . 2]" 1
49 1 13 VAL H 1 13 VAL HB . . 3.860 3.394 2.533 3.843 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL H 1 13 VAL MG1 . . 4.210 3.349 2.443 4.063 . 0 0 "[ . 1 . 2]" 1
51 1 13 VAL H 1 13 VAL QG . . 3.670 2.417 1.914 3.429 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL H 1 13 VAL MG2 . . 4.210 2.500 1.981 3.722 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL H 1 15 LEU QD . . 4.560 4.120 3.124 4.599 0.039 3 0 "[ . 1 . 2]" 1
54 1 13 VAL HA 1 13 VAL MG1 . . 3.730 2.413 2.264 2.720 . 0 0 "[ . 1 . 2]" 1
55 1 13 VAL HA 1 13 VAL MG2 . . 3.730 2.828 2.229 3.248 . 0 0 "[ . 1 . 2]" 1
56 1 13 VAL HA 1 14 ASP H . . 3.420 2.752 1.998 3.499 0.079 3 0 "[ . 1 . 2]" 1
57 1 13 VAL HB 1 14 ASP QB . . 5.040 4.316 3.515 5.124 0.084 18 0 "[ . 1 . 2]" 1
58 1 13 VAL QG 1 14 ASP H . . 4.190 3.065 2.208 3.695 . 0 0 "[ . 1 . 2]" 1
59 1 13 VAL QG 1 14 ASP QB . . 4.470 3.508 2.547 4.493 0.023 6 0 "[ . 1 . 2]" 1
60 1 14 ASP H 1 14 ASP HB2 . . 4.170 3.197 2.526 3.664 . 0 0 "[ . 1 . 2]" 1
61 1 14 ASP H 1 14 ASP QB . . 3.570 2.822 2.268 3.432 . 0 0 "[ . 1 . 2]" 1
62 1 14 ASP H 1 14 ASP HB3 . . 4.170 3.345 2.347 4.166 . 0 0 "[ . 1 . 2]" 1
63 1 14 ASP HA 1 15 LEU H . . 3.050 2.224 2.042 2.976 . 0 0 "[ . 1 . 2]" 1
64 1 14 ASP QB 1 15 LEU H . . 4.370 3.646 2.184 4.002 . 0 0 "[ . 1 . 2]" 1
65 1 15 LEU H 1 15 LEU QB . . 3.650 2.567 2.235 3.379 . 0 0 "[ . 1 . 2]" 1
66 1 15 LEU H 1 15 LEU QD . . 4.100 2.824 2.035 3.797 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU H 1 15 LEU HG . . 4.270 3.244 2.026 4.306 0.036 8 0 "[ . 1 . 2]" 1
68 1 15 LEU HA 1 15 LEU MD1 . . 4.600 3.368 2.069 4.144 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU HA 1 15 LEU QD . . 3.940 2.478 1.992 3.432 . 0 0 "[ . 1 . 2]" 1
70 1 15 LEU HA 1 15 LEU MD2 . . 4.600 2.959 2.064 4.082 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU HA 1 15 LEU HG . . 4.110 3.138 2.559 3.860 . 0 0 "[ . 1 . 2]" 1
72 1 16 GLN H 1 16 GLN HG2 . . 5.410 3.282 2.042 4.514 . 0 0 "[ . 1 . 2]" 1
73 1 16 GLN H 1 16 GLN QG . . 4.530 2.908 2.006 4.055 . 0 0 "[ . 1 . 2]" 1
74 1 16 GLN H 1 16 GLN HG3 . . 5.410 3.652 2.060 4.699 . 0 0 "[ . 1 . 2]" 1
75 1 16 GLN QB 1 17 GLU H . . 4.080 3.012 2.052 4.022 . 0 0 "[ . 1 . 2]" 1
76 1 17 GLU HA 1 18 GLN QB . . 5.010 4.523 4.012 5.066 0.056 13 0 "[ . 1 . 2]" 1
77 1 17 GLU HA 1 19 ARG H . . 4.150 3.683 2.867 4.233 0.083 11 0 "[ . 1 . 2]" 1
78 1 17 GLU HA 1 19 ARG QB . . 5.240 4.585 3.127 5.165 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLU QB 1 19 ARG H . . 4.310 3.954 2.227 4.434 0.124 14 0 "[ . 1 . 2]" 1
80 1 18 GLN H 1 24 ARG QB . . 5.060 4.659 2.947 5.229 0.169 7 0 "[ . 1 . 2]" 1
81 1 18 GLN HA 1 21 VAL H . . 4.490 3.530 2.332 4.534 0.044 3 0 "[ . 1 . 2]" 1
82 1 18 GLN HA 1 21 VAL HA . . 3.840 3.110 1.992 3.842 0.002 7 0 "[ . 1 . 2]" 1
83 1 18 GLN QB 1 24 ARG QB . . 4.670 3.734 1.972 4.695 0.025 3 0 "[ . 1 . 2]" 1
84 1 18 GLN QB 1 24 ARG QD . . 3.920 3.487 2.116 3.995 0.075 4 0 "[ . 1 . 2]" 1
85 1 18 GLN QG 1 21 VAL HA . . 4.150 3.745 2.296 4.261 0.111 7 0 "[ . 1 . 2]" 1
86 1 19 ARG H 1 19 ARG HG2 . . 5.130 3.933 2.400 5.293 0.163 15 0 "[ . 1 . 2]" 1
87 1 19 ARG H 1 19 ARG QG . . 4.420 3.315 1.956 4.485 0.065 8 0 "[ . 1 . 2]" 1
88 1 19 ARG H 1 19 ARG HG3 . . 5.130 3.869 1.972 4.855 . 0 0 "[ . 1 . 2]" 1
89 1 19 ARG HA 1 19 ARG HD2 . . 5.500 3.645 1.954 4.890 . 0 0 "[ . 1 . 2]" 1
90 1 19 ARG HA 1 19 ARG QD . . 4.840 3.251 1.935 4.457 . 0 0 "[ . 1 . 2]" 1
91 1 19 ARG HA 1 19 ARG HD3 . . 5.500 3.977 2.137 5.523 0.023 2 0 "[ . 1 . 2]" 1
92 1 19 ARG QB 1 20 SER HA . . 4.670 4.272 3.859 4.678 0.008 5 0 "[ . 1 . 2]" 1
93 1 20 SER H 1 21 VAL H . . 4.200 2.445 1.918 3.879 . 0 0 "[ . 1 . 2]" 1
94 1 20 SER H 1 21 VAL HA . . 4.650 4.150 3.528 4.488 . 0 0 "[ . 1 . 2]" 1
95 1 20 SER H 1 21 VAL MG1 . . 5.500 4.521 3.911 5.545 0.045 9 0 "[ . 1 . 2]" 1
96 1 20 SER H 1 21 VAL MG2 . . 5.500 5.007 4.235 5.577 0.077 3 0 "[ . 1 . 2]" 1
97 1 20 SER HA 1 21 VAL QG . . 4.650 3.593 3.264 4.660 0.010 7 0 "[ . 1 . 2]" 1
98 1 21 VAL H 1 21 VAL HB . . 4.130 3.664 2.374 4.057 . 0 0 "[ . 1 . 2]" 1
99 1 21 VAL H 1 22 LYS H . . 4.630 3.253 2.602 4.631 0.001 8 0 "[ . 1 . 2]" 1
100 1 21 VAL HA 1 21 VAL HB . . 2.970 2.476 2.343 3.007 0.037 9 0 "[ . 1 . 2]" 1
101 1 21 VAL HA 1 21 VAL QG . . 2.930 2.288 2.139 2.420 . 0 0 "[ . 1 . 2]" 1
102 1 21 VAL HA 1 24 ARG HG2 . . 5.350 3.572 2.101 5.272 . 0 0 "[ . 1 . 2]" 1
103 1 21 VAL HA 1 24 ARG QG . . 4.470 3.208 1.986 4.535 0.065 7 0 "[ . 1 . 2]" 1
104 1 21 VAL HA 1 24 ARG HG3 . . 5.350 3.971 2.245 5.362 0.012 10 0 "[ . 1 . 2]" 1
105 1 21 VAL HB 1 24 ARG QB . . 4.440 3.549 2.433 4.525 0.085 9 0 "[ . 1 . 2]" 1
106 1 21 VAL HB 1 24 ARG HG2 . . 5.400 4.433 2.725 5.857 0.457 18 0 "[ . 1 . 2]" 1
107 1 21 VAL HB 1 24 ARG QG . . 4.560 3.919 2.635 4.655 0.095 15 0 "[ . 1 . 2]" 1
108 1 21 VAL HB 1 24 ARG HG3 . . 5.400 4.642 3.399 5.423 0.023 3 0 "[ . 1 . 2]" 1
109 1 21 VAL QG 1 22 LYS H . . 4.440 3.173 1.789 3.790 . 0 0 "[ . 1 . 2]" 1
110 1 21 VAL QG 1 24 ARG QD . . 4.410 3.640 2.341 4.467 0.057 1 0 "[ . 1 . 2]" 1
111 1 21 VAL MG1 1 22 LYS H . . 5.250 3.982 2.209 4.373 . 0 0 "[ . 1 . 2]" 1
112 1 21 VAL MG2 1 22 LYS H . . 5.250 3.544 1.792 4.314 . 0 0 "[ . 1 . 2]" 1
113 1 22 LYS H 1 22 LYS QB . . 3.630 2.603 2.169 3.042 . 0 0 "[ . 1 . 2]" 1
114 1 22 LYS H 1 22 LYS QG . . 4.520 3.424 1.899 4.421 . 0 0 "[ . 1 . 2]" 1
115 1 22 LYS H 1 23 THR H . . 4.950 3.218 2.156 4.490 . 0 0 "[ . 1 . 2]" 1
116 1 22 LYS HA 1 23 THR MG . . 4.580 4.450 4.006 4.651 0.071 2 0 "[ . 1 . 2]" 1
117 1 22 LYS HA 1 24 ARG H . . 4.850 3.989 3.196 4.929 0.079 5 0 "[ . 1 . 2]" 1
118 1 22 LYS QB 1 22 LYS QD . . 2.650 2.243 2.076 2.735 0.085 4 0 "[ . 1 . 2]" 1
119 1 22 LYS QB 1 23 THR MG . . 3.220 3.101 2.512 3.310 0.090 9 0 "[ . 1 . 2]" 1
120 1 22 LYS QG 1 23 THR MG . . 3.460 2.446 1.942 3.544 0.084 1 0 "[ . 1 . 2]" 1
121 1 22 LYS HG2 1 23 THR MG . . 4.020 3.422 1.968 4.705 0.685 13 1 "[ . 1 + . 2]" 1
122 1 22 LYS HG3 1 23 THR MG . . 4.020 2.882 1.951 4.041 0.021 5 0 "[ . 1 . 2]" 1
123 1 23 THR H 1 23 THR MG . . 4.520 2.696 2.226 3.418 . 0 0 "[ . 1 . 2]" 1
124 1 23 THR H 1 24 ARG H . . 4.410 2.815 2.221 3.960 . 0 0 "[ . 1 . 2]" 1
125 1 23 THR MG 1 24 ARG H . . 4.330 4.238 3.996 4.355 0.025 12 0 "[ . 1 . 2]" 1
126 1 24 ARG H 1 24 ARG HB2 . . 3.970 3.079 2.322 3.917 . 0 0 "[ . 1 . 2]" 1
127 1 24 ARG H 1 24 ARG QB . . 3.360 2.652 2.262 3.215 . 0 0 "[ . 1 . 2]" 1
128 1 24 ARG H 1 24 ARG HB3 . . 3.970 3.273 2.390 3.800 . 0 0 "[ . 1 . 2]" 1
129 1 41 GLU QB 1 42 LEU H . . 4.310 3.415 2.233 4.032 . 0 0 "[ . 1 . 2]" 1
130 1 41 GLU HB2 1 42 LEU H . . 5.140 4.143 2.254 4.598 . 0 0 "[ . 1 . 2]" 1
131 1 41 GLU HB3 1 42 LEU H . . 5.140 3.764 2.749 4.460 . 0 0 "[ . 1 . 2]" 1
132 1 42 LEU H 1 42 LEU QB . . 3.430 2.415 2.174 3.055 . 0 0 "[ . 1 . 2]" 1
133 1 42 LEU H 1 42 LEU MD1 . . 4.440 3.957 3.581 4.204 . 0 0 "[ . 1 . 2]" 1
134 1 42 LEU H 1 42 LEU QD . . 3.550 2.867 1.791 3.734 0.184 15 0 "[ . 1 . 2]" 1
135 1 42 LEU H 1 42 LEU MD2 . . 4.440 3.066 1.793 4.220 . 0 0 "[ . 1 . 2]" 1
136 1 42 LEU H 1 42 LEU HG . . 4.660 4.295 3.478 4.667 0.007 10 0 "[ . 1 . 2]" 1
137 1 42 LEU H 1 71 VAL QG . . 4.390 3.565 2.937 4.479 0.089 12 0 "[ . 1 . 2]" 1
138 1 42 LEU HA 1 42 LEU QD . . 4.170 2.168 1.963 3.419 . 0 0 "[ . 1 . 2]" 1
139 1 42 LEU HA 1 71 VAL HA . . 4.690 4.457 4.082 4.704 0.014 15 0 "[ . 1 . 2]" 1
140 1 42 LEU HA 1 71 VAL MG1 . . 5.500 4.318 2.695 4.812 . 0 0 "[ . 1 . 2]" 1
141 1 42 LEU HA 1 71 VAL QG . . 4.290 3.952 2.661 4.311 0.021 15 0 "[ . 1 . 2]" 1
142 1 42 LEU HA 1 71 VAL MG2 . . 5.500 4.642 3.742 4.919 . 0 0 "[ . 1 . 2]" 1
143 1 42 LEU QB 1 71 VAL H . . 4.740 4.525 3.852 4.766 0.026 18 0 "[ . 1 . 2]" 1
144 1 42 LEU QB 1 71 VAL QG . . 2.640 1.907 1.735 2.169 . 0 0 "[ . 1 . 2]" 1
145 1 42 LEU QB 1 72 LYS H . . 4.370 3.797 3.278 4.378 0.008 15 0 "[ . 1 . 2]" 1
146 1 42 LEU HG 1 71 VAL QG . . 3.240 2.826 2.436 3.307 0.067 16 0 "[ . 1 . 2]" 1
147 1 43 ASN H 1 72 LYS H . . 5.380 4.765 4.526 5.127 . 0 0 "[ . 1 . 2]" 1
148 1 43 ASN H 1 94 ALA MB . . 4.770 4.516 4.135 4.778 0.008 1 0 "[ . 1 . 2]" 1
149 1 43 ASN HA 1 44 LEU H . . 3.470 2.206 2.101 2.330 . 0 0 "[ . 1 . 2]" 1
150 1 43 ASN HA 1 44 LEU QB . . 4.390 4.319 4.226 4.412 0.022 19 0 "[ . 1 . 2]" 1
151 1 43 ASN HA 1 71 VAL QG . . 4.320 3.871 3.108 4.367 0.047 11 0 "[ . 1 . 2]" 1
152 1 43 ASN HA 1 72 LYS H . . 4.340 2.823 2.317 3.697 . 0 0 "[ . 1 . 2]" 1
153 1 43 ASN HA 1 72 LYS QB . . 4.480 3.892 3.374 4.484 0.004 12 0 "[ . 1 . 2]" 1
154 1 43 ASN HA 1 74 ILE MD . . 3.760 3.539 2.576 3.902 0.142 10 0 "[ . 1 . 2]" 1
155 1 43 ASN HA 1 74 ILE QG . . 4.870 3.900 3.047 4.889 0.019 17 0 "[ . 1 . 2]" 1
156 1 43 ASN QB 1 44 LEU H . . 4.240 2.929 2.620 3.759 . 0 0 "[ . 1 . 2]" 1
157 1 43 ASN QB 1 74 ILE MD . . 3.530 2.112 1.771 2.727 . 0 0 "[ . 1 . 2]" 1
158 1 43 ASN QB 1 94 ALA HA . . 3.870 2.972 2.386 3.934 0.064 5 0 "[ . 1 . 2]" 1
159 1 43 ASN HB2 1 74 ILE MD . . 4.030 3.330 2.551 3.996 . 0 0 "[ . 1 . 2]" 1
160 1 43 ASN HB2 1 94 ALA HA . . 4.680 3.185 2.480 5.398 0.718 8 1 "[ . + 1 . 2]" 1
161 1 43 ASN HB2 1 94 ALA MB . . 3.990 2.989 2.426 4.916 0.926 8 1 "[ . + 1 . 2]" 1
162 1 43 ASN HB3 1 74 ILE MD . . 4.030 2.138 1.788 2.776 . 0 0 "[ . 1 . 2]" 1
163 1 43 ASN HB3 1 94 ALA HA . . 4.680 3.745 3.037 4.648 . 0 0 "[ . 1 . 2]" 1
164 1 43 ASN HB3 1 94 ALA MB . . 3.990 2.580 2.074 3.390 . 0 0 "[ . 1 . 2]" 1
165 1 44 LEU H 1 44 LEU HB2 . . 4.120 3.111 2.628 4.016 . 0 0 "[ . 1 . 2]" 1
166 1 44 LEU H 1 44 LEU QB . . 3.330 2.861 2.580 3.305 . 0 0 "[ . 1 . 2]" 1
167 1 44 LEU H 1 44 LEU HB3 . . 4.120 3.723 3.407 3.849 . 0 0 "[ . 1 . 2]" 1
168 1 44 LEU H 1 44 LEU HG . . 3.660 3.249 2.664 3.665 0.005 18 0 "[ . 1 . 2]" 1
169 1 44 LEU H 1 73 ILE HA . . 4.140 2.532 2.263 2.789 . 0 0 "[ . 1 . 2]" 1
170 1 44 LEU H 1 74 ILE MD . . 4.050 3.573 2.450 4.090 0.040 14 0 "[ . 1 . 2]" 1
171 1 44 LEU H 1 74 ILE QG . . 4.670 3.529 2.737 4.718 0.048 18 0 "[ . 1 . 2]" 1
172 1 44 LEU HA 1 44 LEU MD1 . . 4.180 3.849 3.626 4.117 . 0 0 "[ . 1 . 2]" 1
173 1 44 LEU HA 1 44 LEU QD . . 3.500 2.459 1.985 3.425 . 0 0 "[ . 1 . 2]" 1
174 1 44 LEU HA 1 44 LEU MD2 . . 4.180 2.618 1.991 4.104 . 0 0 "[ . 1 . 2]" 1
175 1 44 LEU HA 1 44 LEU HG . . 4.190 3.291 2.935 3.803 . 0 0 "[ . 1 . 2]" 1
176 1 44 LEU HA 1 45 ILE H . . 3.370 2.339 2.248 2.526 . 0 0 "[ . 1 . 2]" 1
177 1 44 LEU HA 1 88 LEU MD1 . . 4.890 4.818 4.366 4.968 0.078 2 0 "[ . 1 . 2]" 1
178 1 44 LEU HA 1 94 ALA MB . . 4.090 2.186 1.880 2.540 . 0 0 "[ . 1 . 2]" 1
179 1 44 LEU HA 1 95 ILE H . . 4.430 2.670 1.939 3.377 . 0 0 "[ . 1 . 2]" 1
180 1 44 LEU QB 1 45 ILE H . . 4.030 2.285 1.987 2.538 . 0 0 "[ . 1 . 2]" 1
181 1 44 LEU QB 1 94 ALA MB . . 4.560 3.902 3.567 4.284 . 0 0 "[ . 1 . 2]" 1
182 1 44 LEU QD 1 45 ILE H . . 3.630 3.149 2.800 3.651 0.021 1 0 "[ . 1 . 2]" 1
183 1 44 LEU QD 1 45 ILE HA . . 5.030 4.602 3.285 5.057 0.027 8 0 "[ . 1 . 2]" 1
184 1 45 ILE H 1 45 ILE HB . . 3.480 3.497 3.442 3.536 0.056 11 0 "[ . 1 . 2]" 1
185 1 45 ILE H 1 45 ILE MG . . 3.750 2.045 1.939 2.126 . 0 0 "[ . 1 . 2]" 1
186 1 45 ILE H 1 46 VAL HA . . 5.120 4.694 4.521 4.841 . 0 0 "[ . 1 . 2]" 1
187 1 45 ILE H 1 94 ALA HA . . 5.450 4.895 4.440 5.470 0.020 3 0 "[ . 1 . 2]" 1
188 1 45 ILE H 1 94 ALA MB . . 4.240 3.069 2.763 3.507 . 0 0 "[ . 1 . 2]" 1
189 1 45 ILE H 1 96 VAL QG . . 4.970 4.197 3.767 4.825 . 0 0 "[ . 1 . 2]" 1
190 1 45 ILE HA 1 45 ILE MD . . 4.170 3.475 2.580 3.881 . 0 0 "[ . 1 . 2]" 1
191 1 45 ILE HA 1 45 ILE QG . . 3.890 2.752 2.542 3.012 . 0 0 "[ . 1 . 2]" 1
192 1 45 ILE HA 1 46 VAL H . . 3.070 2.151 2.078 2.239 . 0 0 "[ . 1 . 2]" 1
193 1 45 ILE HB 1 46 VAL H . . 4.430 3.799 3.631 3.929 . 0 0 "[ . 1 . 2]" 1
194 1 45 ILE HB 1 74 ILE H . . 4.590 4.316 4.042 4.601 0.011 4 0 "[ . 1 . 2]" 1
195 1 45 ILE HB 1 75 HIS H . . 4.370 3.666 3.420 3.919 . 0 0 "[ . 1 . 2]" 1
196 1 45 ILE HB 1 88 LEU MD1 . . 4.130 2.400 2.151 2.631 . 0 0 "[ . 1 . 2]" 1
197 1 45 ILE HB 1 88 LEU HG . . 4.380 4.272 3.837 4.424 0.044 15 0 "[ . 1 . 2]" 1
198 1 45 ILE HB 1 94 ALA MB . . 3.980 3.446 2.926 3.928 . 0 0 "[ . 1 . 2]" 1
199 1 45 ILE HB 1 96 VAL QG . . 4.180 3.853 3.687 4.072 . 0 0 "[ . 1 . 2]" 1
200 1 45 ILE MD 1 46 VAL H . . 4.050 3.502 2.260 4.071 0.021 6 0 "[ . 1 . 2]" 1
201 1 45 ILE MD 1 47 LYS HA . . 5.190 4.852 4.073 5.237 0.047 2 0 "[ . 1 . 2]" 1
202 1 45 ILE MD 1 47 LYS QG . . 3.030 2.530 2.150 2.973 . 0 0 "[ . 1 . 2]" 1
203 1 45 ILE MD 1 75 HIS H . . 4.670 4.187 3.554 4.687 0.017 12 0 "[ . 1 . 2]" 1
204 1 45 ILE MD 1 75 HIS QB . . 4.330 2.334 1.979 2.816 . 0 0 "[ . 1 . 2]" 1
205 1 45 ILE MD 1 75 HIS HD2 . . 3.430 2.157 1.938 2.561 . 0 0 "[ . 1 . 2]" 1
206 1 45 ILE MD 1 85 ASP HB2 . . 4.560 4.369 3.521 5.197 0.637 3 4 "[* +*. - . 2]" 1
207 1 45 ILE MD 1 85 ASP QB . . 3.810 3.147 2.060 3.950 0.140 16 0 "[ . 1 . 2]" 1
208 1 45 ILE MD 1 85 ASP HB3 . . 4.560 3.285 2.074 4.571 0.011 2 0 "[ . 1 . 2]" 1
209 1 45 ILE QG 1 45 ILE MG . . 2.590 1.887 1.715 2.109 . 0 0 "[ . 1 . 2]" 1
210 1 45 ILE QG 1 46 VAL H . . 3.840 2.382 2.097 2.787 . 0 0 "[ . 1 . 2]" 1
211 1 45 ILE QG 1 46 VAL HB . . 4.540 4.461 4.386 4.593 0.053 1 0 "[ . 1 . 2]" 1
212 1 45 ILE QG 1 46 VAL QG . . 5.170 3.986 3.865 4.100 . 0 0 "[ . 1 . 2]" 1
213 1 45 ILE QG 1 47 LYS H . . 4.490 4.022 3.698 4.281 . 0 0 "[ . 1 . 2]" 1
214 1 45 ILE QG 1 47 LYS HG2 . . 4.210 3.312 2.262 4.148 . 0 0 "[ . 1 . 2]" 1
215 1 45 ILE QG 1 47 LYS QG . . 3.470 2.426 2.092 2.834 . 0 0 "[ . 1 . 2]" 1
216 1 45 ILE QG 1 47 LYS HG3 . . 4.210 2.727 2.122 3.806 . 0 0 "[ . 1 . 2]" 1
217 1 45 ILE QG 1 75 HIS QB . . 4.240 3.598 3.221 3.878 . 0 0 "[ . 1 . 2]" 1
218 1 45 ILE QG 1 88 LEU MD1 . . 5.500 3.883 3.604 4.122 . 0 0 "[ . 1 . 2]" 1
219 1 45 ILE QG 1 96 VAL QG . . 4.540 2.268 1.964 2.825 . 0 0 "[ . 1 . 2]" 1
220 1 45 ILE MG 1 75 HIS QB . . 4.390 4.013 3.492 4.292 . 0 0 "[ . 1 . 2]" 1
221 1 45 ILE MG 1 88 LEU HG . . 5.310 4.782 4.329 5.327 0.017 20 0 "[ . 1 . 2]" 1
222 1 45 ILE MG 1 94 ALA HA . . 5.290 4.311 3.960 4.735 . 0 0 "[ . 1 . 2]" 1
223 1 45 ILE MG 1 95 ILE H . . 4.130 3.686 3.079 4.075 . 0 0 "[ . 1 . 2]" 1
224 1 45 ILE MG 1 95 ILE HA . . 4.080 3.948 3.418 4.146 0.066 8 0 "[ . 1 . 2]" 1
225 1 45 ILE MG 1 96 VAL H . . 3.740 3.717 3.414 3.877 0.137 20 0 "[ . 1 . 2]" 1
226 1 45 ILE MG 1 96 VAL QG . . 3.620 1.883 1.814 1.993 . 0 0 "[ . 1 . 2]" 1
227 1 45 ILE MG 1 97 ILE H . . 3.750 3.248 2.781 3.664 . 0 0 "[ . 1 . 2]" 1
228 1 46 VAL H 1 46 VAL HB . . 3.460 2.505 2.307 2.631 . 0 0 "[ . 1 . 2]" 1
229 1 46 VAL H 1 46 VAL QG . . 3.160 2.655 2.579 2.758 . 0 0 "[ . 1 . 2]" 1
230 1 46 VAL H 1 73 ILE MG . . 3.890 3.347 3.103 3.594 . 0 0 "[ . 1 . 2]" 1
231 1 46 VAL H 1 75 HIS H . . 4.260 3.878 3.588 3.997 . 0 0 "[ . 1 . 2]" 1
232 1 46 VAL H 1 75 HIS HA . . 5.310 5.278 5.122 5.354 0.044 17 0 "[ . 1 . 2]" 1
233 1 46 VAL H 1 76 ALA HA . . 3.690 2.802 2.603 2.955 . 0 0 "[ . 1 . 2]" 1
234 1 46 VAL H 1 76 ALA MB . . 4.400 3.611 3.307 3.906 . 0 0 "[ . 1 . 2]" 1
235 1 46 VAL H 1 77 ALA H . . 4.850 4.428 3.984 4.756 . 0 0 "[ . 1 . 2]" 1
236 1 46 VAL HB 1 47 LYS H . . 4.590 4.191 4.117 4.294 . 0 0 "[ . 1 . 2]" 1
237 1 46 VAL HB 1 54 VAL MG2 . . 4.830 4.342 4.150 4.542 . 0 0 "[ . 1 . 2]" 1
238 1 46 VAL HB 1 57 LEU QD . . 4.200 4.011 3.941 4.165 . 0 0 "[ . 1 . 2]" 1
239 1 46 VAL HB 1 57 LEU HG . . 4.680 4.726 4.702 4.755 0.075 1 0 "[ . 1 . 2]" 1
240 1 46 VAL HB 1 58 VAL QG . . 4.180 2.635 2.245 2.976 . 0 0 "[ . 1 . 2]" 1
241 1 46 VAL HB 1 61 LEU HG . . 5.500 5.527 5.297 5.600 0.100 8 0 "[ . 1 . 2]" 1
242 1 46 VAL HB 1 73 ILE MG . . 4.990 3.284 3.147 3.443 . 0 0 "[ . 1 . 2]" 1
243 1 46 VAL HB 1 76 ALA HA . . 3.920 3.010 2.883 3.116 . 0 0 "[ . 1 . 2]" 1
244 1 46 VAL HB 1 76 ALA MB . . 3.860 2.814 2.204 3.139 . 0 0 "[ . 1 . 2]" 1
245 1 46 VAL QG 1 47 LYS H . . 3.280 2.632 2.482 2.733 . 0 0 "[ . 1 . 2]" 1
246 1 46 VAL QG 1 48 ALA MB . . 4.090 3.369 3.116 3.485 . 0 0 "[ . 1 . 2]" 1
247 1 46 VAL QG 1 54 VAL HA . . 3.210 1.906 1.813 2.016 . 0 0 "[ . 1 . 2]" 1
248 1 46 VAL QG 1 54 VAL HB . . 3.730 2.109 1.942 2.262 . 0 0 "[ . 1 . 2]" 1
249 1 46 VAL QG 1 57 LEU H . . 3.730 3.622 3.528 3.739 0.009 10 0 "[ . 1 . 2]" 1
250 1 46 VAL QG 1 57 LEU HA . . 4.210 4.230 4.177 4.283 0.073 11 0 "[ . 1 . 2]" 1
251 1 46 VAL QG 1 57 LEU QB . . 2.880 1.986 1.910 2.058 . 0 0 "[ . 1 . 2]" 1
252 1 46 VAL QG 1 57 LEU QD . . 2.920 1.798 1.776 1.832 . 0 0 "[ . 1 . 2]" 1
253 1 46 VAL QG 1 57 LEU HG . . 3.190 2.263 2.203 2.324 . 0 0 "[ . 1 . 2]" 1
254 1 46 VAL QG 1 58 VAL H . . 3.310 3.102 2.835 3.279 . 0 0 "[ . 1 . 2]" 1
255 1 46 VAL QG 1 58 VAL HA . . 3.260 3.208 2.727 3.325 0.065 19 0 "[ . 1 . 2]" 1
256 1 46 VAL QG 1 58 VAL HB . . 4.440 4.300 3.935 4.478 0.038 10 0 "[ . 1 . 2]" 1
257 1 46 VAL QG 1 61 LEU HB2 . . 4.150 3.653 3.227 3.887 . 0 0 "[ . 1 . 2]" 1
258 1 46 VAL QG 1 61 LEU HG . . 3.500 2.971 2.737 3.100 . 0 0 "[ . 1 . 2]" 1
259 1 46 VAL QG 1 73 ILE HB . . 4.390 3.679 3.547 3.888 . 0 0 "[ . 1 . 2]" 1
260 1 46 VAL QG 1 76 ALA HA . . 3.630 3.631 3.431 3.708 0.078 11 0 "[ . 1 . 2]" 1
261 1 46 VAL QG 1 77 ALA H . . 4.270 4.006 3.804 4.161 . 0 0 "[ . 1 . 2]" 1
262 1 46 VAL MG1 1 54 VAL HA . . 4.490 1.909 1.815 2.021 . 0 0 "[ . 1 . 2]" 1
263 1 46 VAL MG1 1 57 LEU H . . 4.810 3.743 3.630 3.891 . 0 0 "[ . 1 . 2]" 1
264 1 46 VAL MG1 1 57 LEU HA . . 5.280 4.719 4.631 4.806 . 0 0 "[ . 1 . 2]" 1
265 1 46 VAL MG1 1 58 VAL H . . 4.730 3.360 3.006 3.646 . 0 0 "[ . 1 . 2]" 1
266 1 46 VAL MG1 1 76 ALA HA . . 4.340 3.889 3.586 4.004 . 0 0 "[ . 1 . 2]" 1
267 1 46 VAL MG2 1 54 VAL HA . . 4.490 4.118 3.947 4.268 . 0 0 "[ . 1 . 2]" 1
268 1 46 VAL MG2 1 57 LEU H . . 4.810 4.830 4.806 4.853 0.043 6 0 "[ . 1 . 2]" 1
269 1 46 VAL MG2 1 57 LEU HA . . 5.280 4.780 4.720 4.853 . 0 0 "[ . 1 . 2]" 1
270 1 46 VAL MG2 1 58 VAL H . . 4.730 3.650 3.471 3.757 . 0 0 "[ . 1 . 2]" 1
271 1 46 VAL MG2 1 76 ALA HA . . 4.340 4.363 4.294 4.401 0.061 15 0 "[ . 1 . 2]" 1
272 1 47 LYS H 1 47 LYS HB2 . . 3.970 2.873 2.618 3.941 . 0 0 "[ . 1 . 2]" 1
273 1 47 LYS H 1 47 LYS QB . . 3.360 2.768 2.569 3.370 0.010 18 0 "[ . 1 . 2]" 1
274 1 47 LYS H 1 47 LYS HB3 . . 3.970 3.806 3.557 3.921 . 0 0 "[ . 1 . 2]" 1
275 1 47 LYS H 1 47 LYS HG2 . . 5.200 3.951 2.692 4.711 . 0 0 "[ . 1 . 2]" 1
276 1 47 LYS H 1 47 LYS QG . . 4.420 3.205 2.606 3.592 . 0 0 "[ . 1 . 2]" 1
277 1 47 LYS H 1 47 LYS HG3 . . 5.200 3.591 2.826 4.701 . 0 0 "[ . 1 . 2]" 1
278 1 47 LYS H 1 48 ALA H . . 4.610 4.230 4.041 4.363 . 0 0 "[ . 1 . 2]" 1
279 1 47 LYS H 1 54 VAL HA . . 4.960 5.029 4.968 5.087 0.127 13 0 "[ . 1 . 2]" 1
280 1 47 LYS HA 1 48 ALA H . . 3.270 2.200 2.082 2.354 . 0 0 "[ . 1 . 2]" 1
281 1 47 LYS HA 1 54 VAL MG1 . . 4.380 2.391 2.049 2.722 . 0 0 "[ . 1 . 2]" 1
282 1 47 LYS HA 1 76 ALA HA . . 4.570 4.261 3.937 4.582 0.012 16 0 "[ . 1 . 2]" 1
283 1 47 LYS HA 1 76 ALA MB . . 5.480 4.810 4.472 5.092 . 0 0 "[ . 1 . 2]" 1
284 1 47 LYS HA 1 77 ALA H . . 4.200 2.861 2.501 3.079 . 0 0 "[ . 1 . 2]" 1
285 1 47 LYS HA 1 78 VAL HA . . 4.420 3.873 3.525 4.325 . 0 0 "[ . 1 . 2]" 1
286 1 47 LYS QB 1 48 ALA H . . 3.960 2.918 2.398 3.370 . 0 0 "[ . 1 . 2]" 1
287 1 47 LYS QB 1 48 ALA HA . . 4.930 3.947 3.732 4.428 . 0 0 "[ . 1 . 2]" 1
288 1 47 LYS QB 1 54 VAL MG1 . . 4.520 3.908 3.476 4.308 . 0 0 "[ . 1 . 2]" 1
289 1 47 LYS QB 1 79 GLY H . . 4.200 3.256 2.696 4.145 . 0 0 "[ . 1 . 2]" 1
290 1 47 LYS QG 1 54 VAL MG1 . . 4.560 4.178 3.724 4.623 0.063 13 0 "[ . 1 . 2]" 1
291 1 48 ALA H 1 48 ALA MB . . 3.620 2.680 2.519 2.826 . 0 0 "[ . 1 . 2]" 1
292 1 48 ALA H 1 54 VAL MG1 . . 4.020 2.259 1.930 2.527 . 0 0 "[ . 1 . 2]" 1
293 1 48 ALA H 1 77 ALA MB . . 5.500 5.025 4.553 5.232 . 0 0 "[ . 1 . 2]" 1
294 1 48 ALA H 1 78 VAL H . . 5.360 5.269 5.142 5.404 0.044 16 0 "[ . 1 . 2]" 1
295 1 48 ALA H 1 78 VAL HA . . 3.590 2.778 2.496 3.054 . 0 0 "[ . 1 . 2]" 1
296 1 48 ALA H 1 78 VAL QG . . 4.340 3.936 3.603 4.303 . 0 0 "[ . 1 . 2]" 1
297 1 48 ALA H 1 79 GLY H . . 3.920 2.913 2.457 3.401 . 0 0 "[ . 1 . 2]" 1
298 1 48 ALA HA 1 49 ASP H . . 3.280 2.450 2.343 2.550 . 0 0 "[ . 1 . 2]" 1
299 1 48 ALA HA 1 50 VAL H . . 4.270 4.120 3.841 4.293 0.023 3 0 "[ . 1 . 2]" 1
300 1 48 ALA HA 1 101 VAL MG1 . . 4.530 3.082 2.182 3.906 . 0 0 "[ . 1 . 2]" 1
301 1 48 ALA HA 1 101 VAL MG2 . . 4.280 3.256 2.727 4.071 . 0 0 "[ . 1 . 2]" 1
302 1 48 ALA MB 1 49 ASP H . . 3.070 2.312 2.104 2.545 . 0 0 "[ . 1 . 2]" 1
303 1 48 ALA MB 1 50 VAL H . . 3.160 2.484 2.309 2.647 . 0 0 "[ . 1 . 2]" 1
304 1 48 ALA MB 1 53 SER H . . 4.320 3.621 3.393 4.159 . 0 0 "[ . 1 . 2]" 1
305 1 48 ALA MB 1 53 SER HA . . 5.030 4.476 4.295 5.009 . 0 0 "[ . 1 . 2]" 1
306 1 48 ALA MB 1 53 SER QB . . 4.670 2.150 1.974 2.532 . 0 0 "[ . 1 . 2]" 1
307 1 48 ALA MB 1 54 VAL H . . 3.700 3.145 2.879 3.566 . 0 0 "[ . 1 . 2]" 1
308 1 48 ALA MB 1 54 VAL HA . . 3.960 3.500 3.219 3.806 . 0 0 "[ . 1 . 2]" 1
309 1 48 ALA MB 1 54 VAL HB . . 5.260 4.217 3.935 4.414 . 0 0 "[ . 1 . 2]" 1
310 1 48 ALA MB 1 54 VAL MG1 . . 2.710 2.070 1.965 2.232 . 0 0 "[ . 1 . 2]" 1
311 1 48 ALA MB 1 54 VAL MG2 . . 4.360 4.156 3.877 4.379 0.019 3 0 "[ . 1 . 2]" 1
312 1 48 ALA MB 1 57 LEU QD . . 4.510 4.454 4.061 4.576 0.066 14 0 "[ . 1 . 2]" 1
313 1 48 ALA MB 1 79 GLY H . . 5.170 4.824 4.383 5.182 0.012 5 0 "[ . 1 . 2]" 1
314 1 48 ALA MB 1 101 VAL MG2 . . 5.230 4.431 4.018 5.142 . 0 0 "[ . 1 . 2]" 1
315 1 49 ASP H 1 49 ASP HB2 . . 3.760 3.062 2.502 3.717 . 0 0 "[ . 1 . 2]" 1
316 1 49 ASP H 1 49 ASP QB . . 3.280 2.394 2.176 2.725 . 0 0 "[ . 1 . 2]" 1
317 1 49 ASP H 1 49 ASP HB3 . . 3.760 2.531 2.269 2.804 . 0 0 "[ . 1 . 2]" 1
318 1 49 ASP H 1 50 VAL H . . 3.580 2.335 2.202 2.578 . 0 0 "[ . 1 . 2]" 1
319 1 49 ASP H 1 50 VAL HA . . 5.390 5.027 4.915 5.216 . 0 0 "[ . 1 . 2]" 1
320 1 49 ASP H 1 50 VAL QG . . 4.300 3.857 3.637 4.085 . 0 0 "[ . 1 . 2]" 1
321 1 49 ASP H 1 53 SER QB . . 5.340 4.397 3.954 4.876 . 0 0 "[ . 1 . 2]" 1
322 1 49 ASP H 1 101 VAL MG1 . . 4.040 2.946 2.493 3.483 . 0 0 "[ . 1 . 2]" 1
323 1 49 ASP HA 1 78 VAL QG . . 4.070 3.058 2.662 3.701 . 0 0 "[ . 1 . 2]" 1
324 1 49 ASP HA 1 101 VAL MG1 . . 3.250 2.722 1.917 3.290 0.040 20 0 "[ . 1 . 2]" 1
325 1 49 ASP QB 1 50 VAL QG . . 3.900 3.255 2.753 3.909 0.009 4 0 "[ . 1 . 2]" 1
326 1 49 ASP QB 1 101 VAL HA . . 5.150 3.949 3.067 4.942 . 0 0 "[ . 1 . 2]" 1
327 1 49 ASP HB2 1 101 VAL MG1 . . 4.050 2.732 1.967 3.756 . 0 0 "[ . 1 . 2]" 1
328 1 49 ASP HB3 1 101 VAL MG1 . . 4.050 3.040 1.992 4.049 . 0 0 "[ . 1 . 2]" 1
329 1 50 VAL H 1 50 VAL MG1 . . 3.650 3.700 3.185 3.743 0.093 2 0 "[ . 1 . 2]" 1
330 1 50 VAL H 1 50 VAL QG . . 3.110 2.478 2.240 2.721 . 0 0 "[ . 1 . 2]" 1
331 1 50 VAL H 1 50 VAL MG2 . . 3.650 2.519 2.289 2.797 . 0 0 "[ . 1 . 2]" 1
332 1 50 VAL H 1 54 VAL MG1 . . 4.520 4.352 4.166 4.555 0.035 13 0 "[ . 1 . 2]" 1
333 1 50 VAL H 1 78 VAL QG . . 4.510 3.713 3.313 4.011 . 0 0 "[ . 1 . 2]" 1
334 1 50 VAL HA 1 50 VAL MG1 . . 3.720 2.413 2.335 2.470 . 0 0 "[ . 1 . 2]" 1
335 1 50 VAL HA 1 50 VAL MG2 . . 3.720 2.446 2.351 3.219 . 0 0 "[ . 1 . 2]" 1
336 1 50 VAL HA 1 78 VAL QG . . 4.130 3.212 2.117 3.592 . 0 0 "[ . 1 . 2]" 1
337 1 50 VAL HB 1 51 GLN H . . 4.220 4.133 2.878 4.238 0.018 7 0 "[ . 1 . 2]" 1
338 1 50 VAL HB 1 53 SER H . . 4.340 3.322 3.066 3.798 . 0 0 "[ . 1 . 2]" 1
339 1 50 VAL HB 1 54 VAL H . . 5.500 4.835 4.423 5.521 0.021 14 0 "[ . 1 . 2]" 1
340 1 50 VAL QG 1 51 GLN H . . 3.820 2.720 2.468 3.372 . 0 0 "[ . 1 . 2]" 1
341 1 50 VAL QG 1 52 GLY H . . 3.670 2.313 2.113 2.817 . 0 0 "[ . 1 . 2]" 1
342 1 50 VAL QG 1 52 GLY HA3 . . 4.310 3.603 3.347 3.853 . 0 0 "[ . 1 . 2]" 1
343 1 50 VAL QG 1 53 SER H . . 2.990 2.490 2.283 2.603 . 0 0 "[ . 1 . 2]" 1
344 1 50 VAL QG 1 53 SER HA . . 4.520 3.979 3.639 4.194 . 0 0 "[ . 1 . 2]" 1
345 1 50 VAL QG 1 53 SER QB . . 4.100 2.797 2.168 3.367 . 0 0 "[ . 1 . 2]" 1
346 1 50 VAL QG 1 54 VAL H . . 4.230 4.200 3.934 4.274 0.044 15 0 "[ . 1 . 2]" 1
347 1 50 VAL QG 1 54 VAL MG1 . . 5.060 4.538 4.393 4.686 . 0 0 "[ . 1 . 2]" 1
348 1 50 VAL MG1 1 51 GLN H . . 4.710 2.772 2.493 3.673 . 0 0 "[ . 1 . 2]" 1
349 1 50 VAL MG2 1 51 GLN H . . 4.710 4.068 3.927 4.181 . 0 0 "[ . 1 . 2]" 1
350 1 51 GLN H 1 51 GLN QB . . 3.560 2.322 2.177 2.857 . 0 0 "[ . 1 . 2]" 1
351 1 51 GLN H 1 51 GLN HG2 . . 4.560 4.427 3.577 4.536 . 0 0 "[ . 1 . 2]" 1
352 1 51 GLN H 1 51 GLN QG . . 4.010 3.887 1.994 4.008 . 0 0 "[ . 1 . 2]" 1
353 1 51 GLN H 1 51 GLN HG3 . . 4.560 4.358 2.004 4.561 0.001 18 0 "[ . 1 . 2]" 1
354 1 51 GLN H 1 78 VAL HB . . 4.230 3.778 2.604 4.241 0.011 16 0 "[ . 1 . 2]" 1
355 1 51 GLN H 1 78 VAL QG . . 4.370 2.756 2.437 2.982 . 0 0 "[ . 1 . 2]" 1
356 1 51 GLN HA 1 51 GLN HG2 . . 4.000 2.850 2.450 4.214 0.214 14 0 "[ . 1 . 2]" 1
357 1 51 GLN HA 1 51 GLN HG3 . . 4.000 2.891 2.496 3.718 . 0 0 "[ . 1 . 2]" 1
358 1 51 GLN HA 1 54 VAL H . . 4.350 3.521 3.167 3.675 . 0 0 "[ . 1 . 2]" 1
359 1 51 GLN HA 1 54 VAL MG1 . . 3.880 2.755 2.451 2.996 . 0 0 "[ . 1 . 2]" 1
360 1 51 GLN HA 1 54 VAL MG2 . . 4.060 2.944 2.129 3.146 . 0 0 "[ . 1 . 2]" 1
361 1 51 GLN HA 1 55 GLU H . . 4.660 4.586 4.087 4.768 0.108 3 0 "[ . 1 . 2]" 1
362 1 51 GLN HA 1 78 VAL HB . . 3.490 1.986 1.887 2.338 . 0 0 "[ . 1 . 2]" 1
363 1 51 GLN HA 1 78 VAL MG1 . . 3.860 3.454 3.144 3.747 . 0 0 "[ . 1 . 2]" 1
364 1 51 GLN HA 1 78 VAL QG . . 3.140 2.701 2.300 3.236 0.096 14 0 "[ . 1 . 2]" 1
365 1 51 GLN HA 1 78 VAL MG2 . . 3.860 2.832 2.346 3.538 . 0 0 "[ . 1 . 2]" 1
366 1 51 GLN QB 1 51 GLN QE . . 3.920 3.036 1.814 3.718 . 0 0 "[ . 1 . 2]" 1
367 1 51 GLN QB 1 52 GLY H . . 4.190 2.658 2.389 3.859 . 0 0 "[ . 1 . 2]" 1
368 1 51 GLN QB 1 53 SER H . . 5.340 4.476 4.368 4.927 . 0 0 "[ . 1 . 2]" 1
369 1 51 GLN QB 1 78 VAL QG . . 3.970 2.143 1.893 2.318 . 0 0 "[ . 1 . 2]" 1
370 1 51 GLN QE 1 51 GLN QG . . 3.020 2.120 2.035 2.696 . 0 0 "[ . 1 . 2]" 1
371 1 51 GLN QE 1 54 VAL MG2 . . 3.980 3.645 1.997 4.084 0.104 6 0 "[ . 1 . 2]" 1
372 1 51 GLN QE 1 55 GLU QB . . 4.810 4.325 3.429 4.847 0.037 8 0 "[ . 1 . 2]" 1
373 1 51 GLN QE 1 55 GLU QG . . 3.680 2.843 2.106 3.198 . 0 0 "[ . 1 . 2]" 1
374 1 51 GLN HE21 1 55 GLU HG2 . . 4.990 3.781 2.806 4.701 . 0 0 "[ . 1 . 2]" 1
375 1 51 GLN HE21 1 55 GLU HG3 . . 4.990 3.355 2.392 4.689 . 0 0 "[ . 1 . 2]" 1
376 1 51 GLN HE22 1 55 GLU HG2 . . 4.990 4.633 2.313 5.593 0.603 4 2 "[ +. 1 . -2]" 1
377 1 51 GLN HE22 1 55 GLU HG3 . . 4.990 4.244 2.391 5.021 0.031 16 0 "[ . 1 . 2]" 1
378 1 51 GLN QG 1 78 VAL H . . 4.530 3.730 3.180 4.575 0.045 14 0 "[ . 1 . 2]" 1
379 1 51 GLN QG 1 78 VAL HB . . 3.020 2.401 2.119 3.055 0.035 14 0 "[ . 1 . 2]" 1
380 1 51 GLN QG 1 78 VAL QG . . 4.350 2.374 2.029 2.608 . 0 0 "[ . 1 . 2]" 1
381 1 51 GLN HG2 1 78 VAL HB . . 3.520 3.399 2.210 4.217 0.697 4 2 "[ +. 1 .- 2]" 1
382 1 51 GLN HG3 1 78 VAL HB . . 3.520 2.717 2.141 3.549 0.029 3 0 "[ . 1 . 2]" 1
383 1 52 GLY H 1 53 SER H . . 4.480 2.707 2.364 2.807 . 0 0 "[ . 1 . 2]" 1
384 1 52 GLY HA2 1 54 VAL MG2 . . 4.690 3.454 3.336 3.647 . 0 0 "[ . 1 . 2]" 1
385 1 52 GLY HA2 1 55 GLU H . . 4.050 2.640 2.579 2.732 . 0 0 "[ . 1 . 2]" 1
386 1 52 GLY HA2 1 55 GLU QB . . 4.250 2.199 2.045 2.506 . 0 0 "[ . 1 . 2]" 1
387 1 52 GLY HA2 1 56 ALA H . . 5.010 3.607 3.415 3.870 . 0 0 "[ . 1 . 2]" 1
388 1 53 SER H 1 53 SER HB2 . . 3.810 2.607 2.453 2.767 . 0 0 "[ . 1 . 2]" 1
389 1 53 SER H 1 53 SER QB . . 3.230 2.356 2.262 2.437 . 0 0 "[ . 1 . 2]" 1
390 1 53 SER H 1 53 SER HB3 . . 3.810 2.952 2.459 3.638 . 0 0 "[ . 1 . 2]" 1
391 1 53 SER H 1 54 VAL HB . . 5.500 5.616 5.592 5.649 0.149 20 0 "[ . 1 . 2]" 1
392 1 53 SER H 1 54 VAL MG1 . . 4.390 3.448 3.329 3.621 . 0 0 "[ . 1 . 2]" 1
393 1 53 SER H 1 54 VAL MG2 . . 4.810 3.874 3.667 4.025 . 0 0 "[ . 1 . 2]" 1
394 1 53 SER H 1 55 GLU H . . 4.430 3.607 3.528 3.690 . 0 0 "[ . 1 . 2]" 1
395 1 53 SER H 1 78 VAL HB . . 5.500 5.497 5.351 5.549 0.049 3 0 "[ . 1 . 2]" 1
396 1 53 SER HA 1 56 ALA H . . 4.210 3.343 2.852 3.746 . 0 0 "[ . 1 . 2]" 1
397 1 53 SER HA 1 56 ALA MB . . 3.300 2.688 2.206 3.188 . 0 0 "[ . 1 . 2]" 1
398 1 53 SER HA 1 57 LEU H . . 4.600 4.139 3.691 4.421 . 0 0 "[ . 1 . 2]" 1
399 1 53 SER QB 1 54 VAL H . . 3.530 2.860 2.689 3.018 . 0 0 "[ . 1 . 2]" 1
400 1 53 SER HB2 1 54 VAL H . . 4.240 3.548 2.796 4.070 . 0 0 "[ . 1 . 2]" 1
401 1 53 SER HB3 1 54 VAL H . . 4.240 3.354 2.742 4.053 . 0 0 "[ . 1 . 2]" 1
402 1 54 VAL H 1 54 VAL HB . . 3.740 3.606 3.585 3.644 . 0 0 "[ . 1 . 2]" 1
403 1 54 VAL H 1 54 VAL MG1 . . 3.240 2.158 2.025 2.277 . 0 0 "[ . 1 . 2]" 1
404 1 54 VAL H 1 54 VAL MG2 . . 3.210 2.548 2.426 2.641 . 0 0 "[ . 1 . 2]" 1
405 1 54 VAL H 1 55 GLU H . . 3.210 2.351 2.218 2.529 . 0 0 "[ . 1 . 2]" 1
406 1 54 VAL H 1 55 GLU QG . . 5.340 3.930 3.633 4.330 . 0 0 "[ . 1 . 2]" 1
407 1 54 VAL H 1 56 ALA H . . 4.230 3.990 3.840 4.139 . 0 0 "[ . 1 . 2]" 1
408 1 54 VAL H 1 57 LEU H . . 4.870 4.750 4.590 4.902 0.032 18 0 "[ . 1 . 2]" 1
409 1 54 VAL HA 1 54 VAL MG1 . . 3.430 2.515 2.445 2.574 . 0 0 "[ . 1 . 2]" 1
410 1 54 VAL HA 1 54 VAL MG2 . . 3.220 3.255 3.237 3.273 0.053 13 0 "[ . 1 . 2]" 1
411 1 54 VAL HA 1 56 ALA H . . 4.650 4.524 4.292 4.664 0.014 8 0 "[ . 1 . 2]" 1
412 1 54 VAL HA 1 57 LEU H . . 3.730 3.579 3.391 3.721 . 0 0 "[ . 1 . 2]" 1
413 1 54 VAL HA 1 57 LEU QB . . 4.170 2.963 2.796 3.064 . 0 0 "[ . 1 . 2]" 1
414 1 54 VAL HA 1 57 LEU QD . . 4.010 3.824 3.604 4.010 0.000 8 0 "[ . 1 . 2]" 1
415 1 54 VAL HA 1 58 VAL H . . 4.210 4.014 3.860 4.119 . 0 0 "[ . 1 . 2]" 1
416 1 54 VAL HA 1 58 VAL QG . . 4.440 3.660 3.402 3.825 . 0 0 "[ . 1 . 2]" 1
417 1 54 VAL HB 1 55 GLU H . . 3.560 3.723 3.695 3.740 0.180 8 0 "[ . 1 . 2]" 1
418 1 54 VAL HB 1 57 LEU QB . . 5.340 4.519 4.345 4.755 . 0 0 "[ . 1 . 2]" 1
419 1 54 VAL HB 1 58 VAL QG . . 4.890 3.259 2.789 3.476 . 0 0 "[ . 1 . 2]" 1
420 1 54 VAL MG1 1 55 GLU H . . 4.240 3.601 3.495 3.788 . 0 0 "[ . 1 . 2]" 1
421 1 54 VAL MG1 1 76 ALA MB . . 5.450 3.581 3.165 3.891 . 0 0 "[ . 1 . 2]" 1
422 1 54 VAL MG1 1 77 ALA H . . 3.760 2.935 2.530 3.338 . 0 0 "[ . 1 . 2]" 1
423 1 54 VAL MG1 1 77 ALA HA . . 4.380 3.930 3.620 4.274 . 0 0 "[ . 1 . 2]" 1
424 1 54 VAL MG1 1 78 VAL H . . 4.220 3.948 3.696 4.230 0.010 14 0 "[ . 1 . 2]" 1
425 1 54 VAL MG1 1 78 VAL HA . . 3.790 2.756 2.352 3.172 . 0 0 "[ . 1 . 2]" 1
426 1 54 VAL MG1 1 78 VAL HB . . 3.860 3.311 2.709 3.801 . 0 0 "[ . 1 . 2]" 1
427 1 54 VAL MG2 1 55 GLU H . . 3.810 2.061 2.004 2.135 . 0 0 "[ . 1 . 2]" 1
428 1 54 VAL MG2 1 55 GLU HA . . 3.970 3.002 2.884 3.171 . 0 0 "[ . 1 . 2]" 1
429 1 54 VAL MG2 1 55 GLU QB . . 4.380 3.616 3.465 3.792 . 0 0 "[ . 1 . 2]" 1
430 1 54 VAL MG2 1 58 VAL H . . 5.260 4.603 4.438 4.725 . 0 0 "[ . 1 . 2]" 1
431 1 54 VAL MG2 1 58 VAL QG . . 4.040 3.055 2.795 3.291 . 0 0 "[ . 1 . 2]" 1
432 1 54 VAL MG2 1 76 ALA HA . . 3.810 3.896 3.851 3.949 0.139 5 0 "[ . 1 . 2]" 1
433 1 54 VAL MG2 1 76 ALA MB . . 4.780 2.224 2.116 2.498 . 0 0 "[ . 1 . 2]" 1
434 1 54 VAL MG2 1 78 VAL HB . . 4.510 3.642 2.999 4.088 . 0 0 "[ . 1 . 2]" 1
435 1 55 GLU H 1 55 GLU QB . . 2.870 2.516 2.403 2.600 . 0 0 "[ . 1 . 2]" 1
436 1 55 GLU H 1 55 GLU HG2 . . 3.730 2.854 1.993 3.435 . 0 0 "[ . 1 . 2]" 1
437 1 55 GLU H 1 55 GLU QG . . 2.990 2.169 1.980 2.334 . 0 0 "[ . 1 . 2]" 1
438 1 55 GLU H 1 55 GLU HG3 . . 3.730 2.762 2.055 3.741 0.011 14 0 "[ . 1 . 2]" 1
439 1 55 GLU H 1 56 ALA H . . 3.410 2.800 2.658 2.899 . 0 0 "[ . 1 . 2]" 1
440 1 55 GLU H 1 56 ALA MB . . 4.510 4.437 4.313 4.515 0.005 5 0 "[ . 1 . 2]" 1
441 1 55 GLU H 1 57 LEU H . . 4.250 4.141 4.010 4.268 0.018 14 0 "[ . 1 . 2]" 1
442 1 55 GLU HA 1 55 GLU HG2 . . 3.910 2.707 2.376 3.127 . 0 0 "[ . 1 . 2]" 1
443 1 55 GLU HA 1 55 GLU HG3 . . 3.910 3.381 3.028 3.799 . 0 0 "[ . 1 . 2]" 1
444 1 55 GLU HA 1 58 VAL H . . 3.870 3.432 3.015 3.875 0.005 17 0 "[ . 1 . 2]" 1
445 1 55 GLU HA 1 58 VAL HB . . 4.760 2.388 2.015 2.891 . 0 0 "[ . 1 . 2]" 1
446 1 55 GLU HA 1 58 VAL MG1 . . 4.540 3.716 3.419 4.076 . 0 0 "[ . 1 . 2]" 1
447 1 55 GLU HA 1 58 VAL QG . . 3.630 2.913 2.617 3.307 . 0 0 "[ . 1 . 2]" 1
448 1 55 GLU HA 1 58 VAL MG2 . . 4.540 3.050 2.693 3.497 . 0 0 "[ . 1 . 2]" 1
449 1 55 GLU HA 1 59 ALA H . . 4.820 3.969 3.576 4.343 . 0 0 "[ . 1 . 2]" 1
450 1 55 GLU QB 1 56 ALA H . . 3.070 2.488 2.222 2.822 . 0 0 "[ . 1 . 2]" 1
451 1 55 GLU QB 1 56 ALA MB . . 4.700 3.766 3.475 4.033 . 0 0 "[ . 1 . 2]" 1
452 1 55 GLU QB 1 59 ALA MB . . 5.340 4.211 3.768 4.708 . 0 0 "[ . 1 . 2]" 1
453 1 55 GLU HB2 1 56 ALA MB . . 5.500 3.950 3.622 4.253 . 0 0 "[ . 1 . 2]" 1
454 1 55 GLU HB2 1 57 LEU H . . 5.500 4.944 4.767 5.140 . 0 0 "[ . 1 . 2]" 1
455 1 55 GLU HB3 1 56 ALA MB . . 5.500 4.751 4.444 5.025 . 0 0 "[ . 1 . 2]" 1
456 1 55 GLU HB3 1 57 LEU H . . 5.500 5.485 5.340 5.515 0.015 4 0 "[ . 1 . 2]" 1
457 1 55 GLU QG 1 56 ALA H . . 4.200 4.010 3.866 4.135 . 0 0 "[ . 1 . 2]" 1
458 1 55 GLU QG 1 56 ALA MB . . 5.340 5.230 4.947 5.377 0.037 2 0 "[ . 1 . 2]" 1
459 1 55 GLU HG2 1 56 ALA H . . 4.830 4.669 4.128 5.014 0.184 1 0 "[ . 1 . 2]" 1
460 1 55 GLU HG3 1 56 ALA H . . 4.830 4.469 4.139 4.845 0.015 14 0 "[ . 1 . 2]" 1
461 1 56 ALA H 1 56 ALA MB . . 2.700 2.230 2.210 2.246 . 0 0 "[ . 1 . 2]" 1
462 1 56 ALA H 1 57 LEU H . . 3.240 2.691 2.608 2.804 . 0 0 "[ . 1 . 2]" 1
463 1 56 ALA H 1 58 VAL H . . 4.630 4.149 4.037 4.253 . 0 0 "[ . 1 . 2]" 1
464 1 56 ALA HA 1 57 LEU H . . 3.530 3.517 3.490 3.549 0.019 8 0 "[ . 1 . 2]" 1
465 1 56 ALA HA 1 58 VAL H . . 5.330 4.589 4.450 4.754 . 0 0 "[ . 1 . 2]" 1
466 1 56 ALA HA 1 59 ALA H . . 4.130 3.705 3.494 4.102 . 0 0 "[ . 1 . 2]" 1
467 1 56 ALA MB 1 57 LEU H . . 3.480 2.633 2.469 2.764 . 0 0 "[ . 1 . 2]" 1
468 1 57 LEU H 1 57 LEU HB2 . . 3.280 2.627 2.540 2.735 . 0 0 "[ . 1 . 2]" 1
469 1 57 LEU H 1 57 LEU QB . . 2.850 2.263 2.235 2.305 . 0 0 "[ . 1 . 2]" 1
470 1 57 LEU H 1 57 LEU HB3 . . 3.280 2.471 2.428 2.522 . 0 0 "[ . 1 . 2]" 1
471 1 57 LEU H 1 57 LEU MD1 . . 4.530 4.156 4.112 4.225 . 0 0 "[ . 1 . 2]" 1
472 1 57 LEU H 1 57 LEU MD2 . . 4.530 4.280 4.235 4.344 . 0 0 "[ . 1 . 2]" 1
473 1 57 LEU H 1 57 LEU HG . . 4.540 4.478 4.441 4.511 . 0 0 "[ . 1 . 2]" 1
474 1 57 LEU H 1 58 VAL H . . 3.470 2.458 2.371 2.591 . 0 0 "[ . 1 . 2]" 1
475 1 57 LEU H 1 58 VAL HA . . 5.220 5.096 5.030 5.214 . 0 0 "[ . 1 . 2]" 1
476 1 57 LEU H 1 58 VAL QG . . 4.710 4.001 3.848 4.198 . 0 0 "[ . 1 . 2]" 1
477 1 57 LEU H 1 59 ALA H . . 4.240 4.039 3.941 4.176 . 0 0 "[ . 1 . 2]" 1
478 1 57 LEU HA 1 57 LEU QD . . 3.330 2.079 2.045 2.130 . 0 0 "[ . 1 . 2]" 1
479 1 57 LEU HA 1 57 LEU HG . . 3.420 3.299 3.251 3.351 . 0 0 "[ . 1 . 2]" 1
480 1 57 LEU HA 1 59 ALA H . . 4.690 4.301 4.147 4.434 . 0 0 "[ . 1 . 2]" 1
481 1 57 LEU HA 1 60 ALA H . . 4.060 3.466 3.279 3.764 . 0 0 "[ . 1 . 2]" 1
482 1 57 LEU HA 1 60 ALA MB . . 3.520 2.860 2.477 3.305 . 0 0 "[ . 1 . 2]" 1
483 1 57 LEU QB 1 57 LEU QD . . 2.840 1.958 1.950 1.973 . 0 0 "[ . 1 . 2]" 1
484 1 57 LEU QB 1 58 VAL H . . 3.210 2.629 2.456 2.754 . 0 0 "[ . 1 . 2]" 1
485 1 57 LEU QB 1 58 VAL QG . . 3.830 3.429 3.192 3.601 . 0 0 "[ . 1 . 2]" 1
486 1 57 LEU QD 1 58 VAL H . . 4.570 3.986 3.896 4.047 . 0 0 "[ . 1 . 2]" 1
487 1 57 LEU QD 1 60 ALA H . . 4.300 4.024 3.863 4.305 0.005 11 0 "[ . 1 . 2]" 1
488 1 57 LEU QD 1 61 LEU H . . 5.440 4.020 3.797 4.203 . 0 0 "[ . 1 . 2]" 1
489 1 57 LEU MD1 1 58 VAL H . . 5.450 4.424 4.367 4.491 . 0 0 "[ . 1 . 2]" 1
490 1 57 LEU MD2 1 58 VAL H . . 5.450 4.529 4.379 4.639 . 0 0 "[ . 1 . 2]" 1
491 1 57 LEU HG 1 61 LEU QD . . 4.320 2.553 2.372 2.762 . 0 0 "[ . 1 . 2]" 1
492 1 57 LEU HG 1 61 LEU HG . . 4.410 3.360 3.007 3.646 . 0 0 "[ . 1 . 2]" 1
493 1 58 VAL H 1 58 VAL HB . . 3.360 2.429 2.361 2.474 . 0 0 "[ . 1 . 2]" 1
494 1 58 VAL H 1 58 VAL QG . . 3.010 2.208 2.127 2.317 . 0 0 "[ . 1 . 2]" 1
495 1 58 VAL H 1 59 ALA H . . 3.390 2.772 2.698 2.859 . 0 0 "[ . 1 . 2]" 1
496 1 58 VAL H 1 73 ILE MG . . 5.500 4.609 4.185 4.994 . 0 0 "[ . 1 . 2]" 1
497 1 58 VAL HA 1 58 VAL MG1 . . 3.220 2.562 2.512 2.629 . 0 0 "[ . 1 . 2]" 1
498 1 58 VAL HA 1 58 VAL MG2 . . 3.220 2.260 2.216 2.297 . 0 0 "[ . 1 . 2]" 1
499 1 58 VAL HA 1 61 LEU H . . 4.120 3.278 3.191 3.454 . 0 0 "[ . 1 . 2]" 1
500 1 58 VAL HA 1 61 LEU HB2 . . 4.180 2.513 2.282 2.768 . 0 0 "[ . 1 . 2]" 1
501 1 58 VAL HA 1 61 LEU HG . . 3.960 3.882 3.644 4.003 0.043 20 0 "[ . 1 . 2]" 1
502 1 58 VAL HA 1 73 ILE MD . . 4.650 3.822 3.597 4.060 . 0 0 "[ . 1 . 2]" 1
503 1 58 VAL HA 1 73 ILE HG12 . . 4.350 2.371 2.177 2.619 . 0 0 "[ . 1 . 2]" 1
504 1 58 VAL HB 1 59 ALA H . . 3.270 2.666 2.610 2.773 . 0 0 "[ . 1 . 2]" 1
505 1 58 VAL QG 1 59 ALA HA . . 3.610 3.174 3.043 3.276 . 0 0 "[ . 1 . 2]" 1
506 1 58 VAL QG 1 59 ALA MB . . 4.330 3.669 3.526 3.772 . 0 0 "[ . 1 . 2]" 1
507 1 58 VAL QG 1 61 LEU H . . 5.060 4.137 4.057 4.212 . 0 0 "[ . 1 . 2]" 1
508 1 58 VAL QG 1 61 LEU HB2 . . 4.290 3.816 3.638 4.021 . 0 0 "[ . 1 . 2]" 1
509 1 58 VAL QG 1 62 GLN H . . 4.340 3.698 3.544 3.868 . 0 0 "[ . 1 . 2]" 1
510 1 58 VAL QG 1 62 GLN HB3 . . 3.470 3.098 2.890 3.368 . 0 0 "[ . 1 . 2]" 1
511 1 58 VAL QG 1 62 GLN QE . . 3.500 2.255 1.794 3.507 0.007 5 0 "[ . 1 . 2]" 1
512 1 58 VAL QG 1 62 GLN QG . . 3.640 3.353 2.945 3.564 . 0 0 "[ . 1 . 2]" 1
513 1 58 VAL QG 1 73 ILE HB . . 4.920 3.032 2.777 3.259 . 0 0 "[ . 1 . 2]" 1
514 1 58 VAL QG 1 73 ILE HG12 . . 3.030 1.842 1.784 1.904 . 0 0 "[ . 1 . 2]" 1
515 1 58 VAL QG 1 73 ILE HG13 . . 4.180 3.050 2.918 3.104 . 0 0 "[ . 1 . 2]" 1
516 1 58 VAL QG 1 73 ILE MG . . 4.170 2.460 2.134 2.711 . 0 0 "[ . 1 . 2]" 1
517 1 58 VAL QG 1 76 ALA HA . . 4.800 3.694 3.307 4.049 . 0 0 "[ . 1 . 2]" 1
518 1 58 VAL MG1 1 59 ALA H . . 3.890 3.206 3.072 3.355 . 0 0 "[ . 1 . 2]" 1
519 1 58 VAL MG1 1 73 ILE HG12 . . 4.020 1.943 1.826 2.056 . 0 0 "[ . 1 . 2]" 1
520 1 58 VAL MG2 1 59 ALA H . . 3.890 3.923 3.902 3.945 0.055 3 0 "[ . 1 . 2]" 1
521 1 58 VAL MG2 1 73 ILE HG12 . . 4.020 2.326 2.063 2.529 . 0 0 "[ . 1 . 2]" 1
522 1 59 ALA H 1 59 ALA MB . . 2.770 2.254 2.224 2.301 . 0 0 "[ . 1 . 2]" 1
523 1 59 ALA H 1 60 ALA H . . 3.750 2.678 2.592 2.756 . 0 0 "[ . 1 . 2]" 1
524 1 59 ALA H 1 62 GLN H . . 4.760 4.746 4.699 4.785 0.025 10 0 "[ . 1 . 2]" 1
525 1 59 ALA HA 1 61 LEU H . . 4.050 4.048 3.884 4.159 0.109 9 0 "[ . 1 . 2]" 1
526 1 59 ALA HA 1 62 GLN H . . 4.060 3.639 3.552 3.772 . 0 0 "[ . 1 . 2]" 1
527 1 59 ALA HA 1 62 GLN HB2 . . 5.090 4.989 4.872 5.117 0.027 20 0 "[ . 1 . 2]" 1
528 1 59 ALA HA 1 62 GLN HB3 . . 4.440 4.221 4.044 4.461 0.021 20 0 "[ . 1 . 2]" 1
529 1 59 ALA HA 1 62 GLN QG . . 4.390 2.187 2.069 2.342 . 0 0 "[ . 1 . 2]" 1
530 1 59 ALA HA 1 63 LYS H . . 4.720 4.732 4.581 4.803 0.083 3 0 "[ . 1 . 2]" 1
531 1 59 ALA MB 1 60 ALA H . . 3.580 3.028 2.868 3.263 . 0 0 "[ . 1 . 2]" 1
532 1 59 ALA MB 1 62 GLN H . . 5.210 4.839 4.750 4.955 . 0 0 "[ . 1 . 2]" 1
533 1 60 ALA H 1 60 ALA MB . . 2.860 2.303 2.279 2.348 . 0 0 "[ . 1 . 2]" 1
534 1 60 ALA H 1 61 LEU H . . 3.440 1.930 1.788 2.090 . 0 0 "[ . 1 . 2]" 1
535 1 60 ALA H 1 61 LEU HB2 . . 4.620 3.498 3.328 3.680 . 0 0 "[ . 1 . 2]" 1
536 1 60 ALA H 1 61 LEU QD . . 4.670 4.295 3.910 4.568 . 0 0 "[ . 1 . 2]" 1
537 1 60 ALA H 1 62 GLN QG . . 5.070 4.001 3.855 4.224 . 0 0 "[ . 1 . 2]" 1
538 1 60 ALA H 1 63 LYS H . . 5.040 4.767 4.609 4.983 . 0 0 "[ . 1 . 2]" 1
539 1 60 ALA H 1 63 LYS QG . . 4.360 4.330 4.194 4.432 0.072 10 0 "[ . 1 . 2]" 1
540 1 60 ALA HA 1 61 LEU QD . . 4.950 4.944 4.700 5.056 0.106 10 0 "[ . 1 . 2]" 1
541 1 60 ALA HA 1 63 LYS H . . 3.910 3.669 3.518 3.921 0.011 8 0 "[ . 1 . 2]" 1
542 1 60 ALA HA 1 63 LYS QB . . 4.020 3.968 3.493 4.097 0.077 19 0 "[ . 1 . 2]" 1
543 1 60 ALA HA 1 63 LYS QD . . 3.630 2.534 1.987 3.138 . 0 0 "[ . 1 . 2]" 1
544 1 60 ALA HA 1 63 LYS HE2 . . 5.500 4.412 2.099 5.494 . 0 0 "[ . 1 . 2]" 1
545 1 60 ALA HA 1 63 LYS QE . . 4.760 3.644 1.999 4.797 0.037 20 0 "[ . 1 . 2]" 1
546 1 60 ALA HA 1 63 LYS HE3 . . 5.500 4.093 2.008 5.402 . 0 0 "[ . 1 . 2]" 1
547 1 60 ALA HA 1 63 LYS QG . . 3.640 2.115 1.981 2.329 . 0 0 "[ . 1 . 2]" 1
548 1 60 ALA MB 1 61 LEU H . . 3.670 2.809 2.580 3.047 . 0 0 "[ . 1 . 2]" 1
549 1 60 ALA MB 1 61 LEU HB2 . . 4.980 3.753 3.669 3.833 . 0 0 "[ . 1 . 2]" 1
550 1 60 ALA MB 1 61 LEU QD . . 3.610 3.289 2.897 3.627 0.017 10 0 "[ . 1 . 2]" 1
551 1 60 ALA MB 1 62 GLN H . . 5.500 4.600 4.440 4.800 . 0 0 "[ . 1 . 2]" 1
552 1 60 ALA MB 1 63 LYS QB . . 5.200 5.097 4.756 5.182 . 0 0 "[ . 1 . 2]" 1
553 1 60 ALA MB 1 63 LYS QD . . 3.510 3.440 3.078 3.561 0.051 10 0 "[ . 1 . 2]" 1
554 1 61 LEU H 1 61 LEU HB2 . . 3.580 2.052 1.917 2.200 . 0 0 "[ . 1 . 2]" 1
555 1 61 LEU H 1 61 LEU HB3 . . 3.830 2.973 2.808 3.122 . 0 0 "[ . 1 . 2]" 1
556 1 61 LEU H 1 61 LEU QD . . 4.370 3.259 3.001 3.476 . 0 0 "[ . 1 . 2]" 1
557 1 61 LEU H 1 61 LEU HG . . 4.490 4.373 4.196 4.501 0.011 7 0 "[ . 1 . 2]" 1
558 1 61 LEU H 1 62 GLN H . . 3.420 2.321 2.046 2.510 . 0 0 "[ . 1 . 2]" 1
559 1 61 LEU H 1 63 LYS H . . 4.310 3.705 3.478 3.886 . 0 0 "[ . 1 . 2]" 1
560 1 61 LEU H 1 64 ILE HG12 . . 5.370 4.608 4.198 5.840 0.470 10 0 "[ . 1 . 2]" 1
561 1 61 LEU HA 1 61 LEU QD . . 3.200 1.890 1.849 1.936 . 0 0 "[ . 1 . 2]" 1
562 1 61 LEU HA 1 61 LEU HG . . 3.700 3.653 3.628 3.680 . 0 0 "[ . 1 . 2]" 1
563 1 61 LEU HA 1 62 GLN HA . . 4.890 4.713 4.623 4.811 . 0 0 "[ . 1 . 2]" 1
564 1 61 LEU HA 1 64 ILE H . . 4.490 3.723 3.452 4.229 . 0 0 "[ . 1 . 2]" 1
565 1 61 LEU HA 1 64 ILE HB . . 4.340 3.920 3.337 4.364 0.024 8 0 "[ . 1 . 2]" 1
566 1 61 LEU HA 1 64 ILE MD . . 3.660 3.020 2.180 3.451 . 0 0 "[ . 1 . 2]" 1
567 1 61 LEU HA 1 64 ILE HG12 . . 4.350 2.438 1.950 3.746 . 0 0 "[ . 1 . 2]" 1
568 1 61 LEU HA 1 64 ILE HG13 . . 4.210 2.398 2.181 2.619 . 0 0 "[ . 1 . 2]" 1
569 1 61 LEU HB2 1 62 GLN H . . 4.250 3.310 3.116 3.509 . 0 0 "[ . 1 . 2]" 1
570 1 61 LEU HB2 1 62 GLN HA . . 5.010 5.283 5.158 5.371 0.361 12 0 "[ . 1 . 2]" 1
571 1 61 LEU HB3 1 62 GLN H . . 3.780 2.879 2.519 3.080 . 0 0 "[ . 1 . 2]" 1
572 1 61 LEU HB3 1 64 ILE HG13 . . 4.770 4.834 4.797 4.882 0.112 20 0 "[ . 1 . 2]" 1
573 1 61 LEU HB3 1 73 ILE H . . 4.320 3.446 3.060 3.728 . 0 0 "[ . 1 . 2]" 1
574 1 61 LEU HB3 1 73 ILE HA . . 4.670 4.703 4.485 4.762 0.092 20 0 "[ . 1 . 2]" 1
575 1 61 LEU HB3 1 73 ILE MD . . 4.230 3.752 3.549 3.990 . 0 0 "[ . 1 . 2]" 1
576 1 61 LEU HB3 1 73 ILE MG . . 3.760 2.458 2.337 2.547 . 0 0 "[ . 1 . 2]" 1
577 1 61 LEU QD 1 64 ILE H . . 5.190 4.133 3.785 4.612 . 0 0 "[ . 1 . 2]" 1
578 1 61 LEU QD 1 64 ILE MD . . 3.560 2.941 1.894 3.443 . 0 0 "[ . 1 . 2]" 1
579 1 61 LEU QD 1 64 ILE HG12 . . 3.910 3.204 2.746 4.041 0.131 10 0 "[ . 1 . 2]" 1
580 1 61 LEU HG 1 62 GLN H . . 5.250 5.165 4.939 5.265 0.015 5 0 "[ . 1 . 2]" 1
581 1 61 LEU HG 1 73 ILE MG . . 3.940 2.014 1.912 2.235 . 0 0 "[ . 1 . 2]" 1
582 1 62 GLN H 1 62 GLN HB3 . . 2.910 2.653 2.550 2.809 . 0 0 "[ . 1 . 2]" 1
583 1 62 GLN H 1 62 GLN HG2 . . 3.530 2.091 1.982 2.213 . 0 0 "[ . 1 . 2]" 1
584 1 62 GLN H 1 62 GLN HG3 . . 3.530 3.265 3.045 3.413 . 0 0 "[ . 1 . 2]" 1
585 1 62 GLN H 1 63 LYS H . . 3.300 2.528 2.426 2.607 . 0 0 "[ . 1 . 2]" 1
586 1 62 GLN H 1 63 LYS HA . . 5.170 5.112 5.015 5.181 0.011 12 0 "[ . 1 . 2]" 1
587 1 62 GLN H 1 64 ILE H . . 4.570 4.137 3.950 4.372 . 0 0 "[ . 1 . 2]" 1
588 1 62 GLN H 1 72 LYS HG3 . . 5.500 5.174 4.516 5.576 0.076 1 0 "[ . 1 . 2]" 1
589 1 62 GLN HA 1 62 GLN HG2 . . 4.050 3.748 3.711 3.779 . 0 0 "[ . 1 . 2]" 1
590 1 62 GLN HA 1 62 GLN QG . . 3.450 3.348 3.332 3.366 . 0 0 "[ . 1 . 2]" 1
591 1 62 GLN HA 1 62 GLN HG3 . . 4.050 3.770 3.732 3.828 . 0 0 "[ . 1 . 2]" 1
592 1 62 GLN HA 1 63 LYS HA . . 4.770 4.553 4.448 4.656 . 0 0 "[ . 1 . 2]" 1
593 1 62 GLN HA 1 64 ILE H . . 4.100 3.607 3.281 3.845 . 0 0 "[ . 1 . 2]" 1
594 1 62 GLN HA 1 72 LYS HG3 . . 3.350 2.674 2.062 3.360 0.010 15 0 "[ . 1 . 2]" 1
595 1 62 GLN HA 1 73 ILE MD . . 4.120 3.400 2.952 3.895 . 0 0 "[ . 1 . 2]" 1
596 1 62 GLN HB2 1 62 GLN HE21 . . 4.660 3.155 1.913 3.906 . 0 0 "[ . 1 . 2]" 1
597 1 62 GLN HB2 1 62 GLN HE22 . . 4.660 4.038 3.540 4.445 . 0 0 "[ . 1 . 2]" 1
598 1 62 GLN HB2 1 63 LYS H . . 4.750 4.107 3.932 4.266 . 0 0 "[ . 1 . 2]" 1
599 1 62 GLN HB3 1 62 GLN QE . . 4.490 2.293 1.828 2.761 . 0 0 "[ . 1 . 2]" 1
600 1 62 GLN HB3 1 62 GLN HE22 . . 5.100 3.646 3.465 3.900 . 0 0 "[ . 1 . 2]" 1
601 1 62 GLN HB3 1 63 LYS H . . 5.160 4.209 4.107 4.310 . 0 0 "[ . 1 . 2]" 1
602 1 62 GLN HB3 1 73 ILE MD . . 3.700 2.265 1.964 2.959 . 0 0 "[ . 1 . 2]" 1
603 1 62 GLN QE 1 73 ILE MD . . 4.150 3.039 2.365 3.857 . 0 0 "[ . 1 . 2]" 1
604 1 62 GLN QG 1 63 LYS H . . 4.150 2.701 2.432 2.985 . 0 0 "[ . 1 . 2]" 1
605 1 62 GLN QG 1 63 LYS HA . . 4.660 3.608 3.298 3.794 . 0 0 "[ . 1 . 2]" 1
606 1 62 GLN QG 1 64 ILE H . . 4.900 4.578 4.416 4.762 . 0 0 "[ . 1 . 2]" 1
607 1 63 LYS H 1 63 LYS HB2 . . 3.850 3.712 3.661 3.773 . 0 0 "[ . 1 . 2]" 1
608 1 63 LYS H 1 63 LYS QB . . 3.040 2.772 2.642 2.895 . 0 0 "[ . 1 . 2]" 1
609 1 63 LYS H 1 63 LYS HB3 . . 3.850 2.862 2.709 3.012 . 0 0 "[ . 1 . 2]" 1
610 1 63 LYS H 1 63 LYS HD2 . . 5.500 4.449 3.981 4.917 . 0 0 "[ . 1 . 2]" 1
611 1 63 LYS H 1 63 LYS QD . . 4.760 3.888 3.222 4.264 . 0 0 "[ . 1 . 2]" 1
612 1 63 LYS H 1 63 LYS HD3 . . 5.500 4.380 3.357 4.920 . 0 0 "[ . 1 . 2]" 1
613 1 63 LYS H 1 63 LYS HE2 . . 5.500 5.372 4.324 6.224 0.724 12 1 "[ . 1 + . 2]" 1
614 1 63 LYS H 1 63 LYS HE3 . . 5.500 4.940 4.163 5.519 0.019 16 0 "[ . 1 . 2]" 1
615 1 63 LYS H 1 63 LYS QG . . 4.080 2.152 2.016 2.312 . 0 0 "[ . 1 . 2]" 1
616 1 63 LYS H 1 64 ILE H . . 3.110 2.473 2.292 2.622 . 0 0 "[ . 1 . 2]" 1
617 1 63 LYS H 1 64 ILE HA . . 5.230 4.807 4.663 4.930 . 0 0 "[ . 1 . 2]" 1
618 1 63 LYS HA 1 63 LYS QD . . 4.730 4.357 3.849 4.553 . 0 0 "[ . 1 . 2]" 1
619 1 63 LYS HA 1 63 LYS QG . . 3.650 3.395 3.341 3.546 . 0 0 "[ . 1 . 2]" 1
620 1 63 LYS HA 1 64 ILE HA . . 4.990 4.669 4.577 4.817 . 0 0 "[ . 1 . 2]" 1
621 1 63 LYS QB 1 63 LYS QD . . 3.160 2.382 2.112 2.779 . 0 0 "[ . 1 . 2]" 1
622 1 63 LYS QB 1 63 LYS QE . . 4.200 2.301 1.899 3.676 . 0 0 "[ . 1 . 2]" 1
623 1 63 LYS QD 1 63 LYS QG . . 2.370 2.019 1.999 2.092 . 0 0 "[ . 1 . 2]" 1
624 1 64 ILE H 1 64 ILE HB . . 2.950 2.591 2.501 2.730 . 0 0 "[ . 1 . 2]" 1
625 1 64 ILE H 1 64 ILE MD . . 3.530 3.453 3.302 3.633 0.103 7 0 "[ . 1 . 2]" 1
626 1 64 ILE H 1 64 ILE HG12 . . 3.710 2.333 2.068 3.253 . 0 0 "[ . 1 . 2]" 1
627 1 64 ILE H 1 64 ILE HG13 . . 4.500 3.370 1.994 3.690 . 0 0 "[ . 1 . 2]" 1
628 1 64 ILE H 1 64 ILE MG . . 4.380 3.804 3.774 3.850 . 0 0 "[ . 1 . 2]" 1
629 1 64 ILE HA 1 64 ILE MD . . 4.190 2.455 2.108 3.896 . 0 0 "[ . 1 . 2]" 1
630 1 64 ILE HA 1 64 ILE HG12 . . 4.070 2.948 2.556 3.152 . 0 0 "[ . 1 . 2]" 1
631 1 64 ILE HB 1 71 VAL H . . 4.100 2.882 2.344 4.108 0.008 4 0 "[ . 1 . 2]" 1
632 1 64 ILE HB 1 71 VAL MG1 . . 4.930 4.097 3.423 4.721 . 0 0 "[ . 1 . 2]" 1
633 1 64 ILE HB 1 71 VAL MG2 . . 4.930 3.995 3.086 4.934 0.004 4 0 "[ . 1 . 2]" 1
634 1 64 ILE HG13 1 71 VAL HB . . 4.620 3.158 2.572 3.942 . 0 0 "[ . 1 . 2]" 1
635 1 64 ILE HG13 1 71 VAL QG . . 3.850 3.613 3.220 3.949 0.099 13 0 "[ . 1 . 2]" 1
636 1 64 ILE MG 1 71 VAL H . . 3.590 2.287 1.956 2.749 . 0 0 "[ . 1 . 2]" 1
637 1 64 ILE MG 1 71 VAL HB . . 3.870 2.159 1.895 2.825 . 0 0 "[ . 1 . 2]" 1
638 1 66 VAL HA 1 67 GLU H . . 3.310 2.779 2.117 3.429 0.119 12 0 "[ . 1 . 2]" 1
639 1 66 VAL QG 1 67 GLU H . . 3.740 3.067 2.592 3.729 . 0 0 "[ . 1 . 2]" 1
640 1 66 VAL QG 1 67 GLU HA . . 4.540 3.955 3.361 4.541 0.001 10 0 "[ . 1 . 2]" 1
641 1 67 GLU H 1 67 GLU HB2 . . 3.770 3.154 2.455 3.948 0.178 12 0 "[ . 1 . 2]" 1
642 1 67 GLU H 1 67 GLU HB3 . . 3.770 3.068 2.350 3.715 . 0 0 "[ . 1 . 2]" 1
643 1 68 GLY H 1 69 VAL H . . 4.480 3.033 1.793 4.033 . 0 0 "[ . 1 . 2]" 1
644 1 69 VAL H 1 69 VAL HB . . 3.300 2.741 2.481 3.314 0.014 7 0 "[ . 1 . 2]" 1
645 1 69 VAL H 1 69 VAL MG1 . . 4.620 3.450 1.991 3.923 . 0 0 "[ . 1 . 2]" 1
646 1 69 VAL H 1 69 VAL QG . . 4.030 2.415 1.984 2.809 . 0 0 "[ . 1 . 2]" 1
647 1 69 VAL H 1 69 VAL MG2 . . 4.620 2.850 2.223 3.975 . 0 0 "[ . 1 . 2]" 1
648 1 69 VAL HA 1 71 VAL QG . . 4.690 4.572 4.059 4.796 0.106 8 0 "[ . 1 . 2]" 1
649 1 69 VAL QG 1 71 VAL QG . . 3.910 2.310 1.864 2.835 . 0 0 "[ . 1 . 2]" 1
650 1 70 ARG H 1 71 VAL QG . . 4.330 3.857 3.247 4.309 . 0 0 "[ . 1 . 2]" 1
651 1 71 VAL H 1 71 VAL HB . . 3.680 2.752 2.530 3.138 . 0 0 "[ . 1 . 2]" 1
652 1 71 VAL H 1 71 VAL QG . . 3.630 2.584 2.246 2.870 . 0 0 "[ . 1 . 2]" 1
653 1 71 VAL HB 1 72 LYS HA . . 4.700 4.469 3.953 4.645 . 0 0 "[ . 1 . 2]" 1
654 1 71 VAL QG 1 72 LYS H . . 3.470 2.623 1.794 3.075 . 0 0 "[ . 1 . 2]" 1
655 1 71 VAL MG1 1 72 LYS H . . 4.470 2.654 1.796 3.147 . 0 0 "[ . 1 . 2]" 1
656 1 71 VAL MG2 1 72 LYS H . . 4.470 4.211 4.029 4.321 . 0 0 "[ . 1 . 2]" 1
657 1 72 LYS H 1 72 LYS HB2 . . 3.720 3.286 3.041 3.530 . 0 0 "[ . 1 . 2]" 1
658 1 72 LYS H 1 72 LYS HB3 . . 3.720 2.848 2.577 3.075 . 0 0 "[ . 1 . 2]" 1
659 1 72 LYS H 1 73 ILE H . . 4.390 4.326 4.258 4.402 0.012 20 0 "[ . 1 . 2]" 1
660 1 72 LYS HA 1 72 LYS HD2 . . 5.320 4.619 4.253 4.927 . 0 0 "[ . 1 . 2]" 1
661 1 72 LYS HA 1 72 LYS QD . . 4.520 4.060 3.823 4.291 . 0 0 "[ . 1 . 2]" 1
662 1 72 LYS HA 1 72 LYS HD3 . . 5.320 4.561 4.019 4.972 . 0 0 "[ . 1 . 2]" 1
663 1 72 LYS HA 1 72 LYS HG3 . . 3.810 2.622 2.541 2.729 . 0 0 "[ . 1 . 2]" 1
664 1 72 LYS HA 1 73 ILE H . . 2.820 2.282 2.208 2.371 . 0 0 "[ . 1 . 2]" 1
665 1 72 LYS HA 1 73 ILE MD . . 4.090 4.063 3.841 4.164 0.074 4 0 "[ . 1 . 2]" 1
666 1 72 LYS HA 1 73 ILE HG13 . . 4.280 3.572 3.456 3.690 . 0 0 "[ . 1 . 2]" 1
667 1 72 LYS QB 1 72 LYS QE . . 4.180 2.849 1.901 3.678 . 0 0 "[ . 1 . 2]" 1
668 1 72 LYS QB 1 73 ILE H . . 4.090 3.351 3.238 3.423 . 0 0 "[ . 1 . 2]" 1
669 1 72 LYS HB2 1 72 LYS HE2 . . 5.500 4.050 2.209 4.774 . 0 0 "[ . 1 . 2]" 1
670 1 72 LYS HB2 1 72 LYS HE3 . . 5.500 3.965 2.526 4.805 . 0 0 "[ . 1 . 2]" 1
671 1 72 LYS HB3 1 72 LYS HE2 . . 5.500 3.770 1.930 4.740 . 0 0 "[ . 1 . 2]" 1
672 1 72 LYS HB3 1 72 LYS HE3 . . 5.500 3.727 2.040 4.780 . 0 0 "[ . 1 . 2]" 1
673 1 72 LYS HE2 1 73 ILE MD . . 5.500 4.682 2.686 5.756 0.256 14 0 "[ . 1 . 2]" 1
674 1 72 LYS HE3 1 73 ILE MD . . 5.500 4.467 3.108 5.553 0.053 17 0 "[ . 1 . 2]" 1
675 1 72 LYS HG2 1 73 ILE H . . 4.310 2.296 1.985 2.607 . 0 0 "[ . 1 . 2]" 1
676 1 72 LYS HG2 1 73 ILE HA . . 5.300 4.105 3.898 4.632 . 0 0 "[ . 1 . 2]" 1
677 1 72 LYS HG2 1 73 ILE MD . . 2.930 2.733 2.423 3.125 0.195 1 0 "[ . 1 . 2]" 1
678 1 72 LYS HG3 1 73 ILE H . . 4.520 2.451 2.003 2.740 . 0 0 "[ . 1 . 2]" 1
679 1 72 LYS HG3 1 73 ILE MD . . 3.310 2.958 2.726 3.011 . 0 0 "[ . 1 . 2]" 1
680 1 73 ILE H 1 73 ILE HB . . 3.630 3.560 3.532 3.589 . 0 0 "[ . 1 . 2]" 1
681 1 73 ILE H 1 73 ILE MD . . 3.620 2.208 2.022 2.313 . 0 0 "[ . 1 . 2]" 1
682 1 73 ILE H 1 73 ILE HG12 . . 3.780 3.490 3.445 3.544 . 0 0 "[ . 1 . 2]" 1
683 1 73 ILE H 1 73 ILE HG13 . . 3.710 1.959 1.878 2.051 . 0 0 "[ . 1 . 2]" 1
684 1 73 ILE H 1 73 ILE MG . . 3.960 3.062 2.946 3.169 . 0 0 "[ . 1 . 2]" 1
685 1 73 ILE HA 1 73 ILE MD . . 3.860 3.635 3.593 3.664 . 0 0 "[ . 1 . 2]" 1
686 1 73 ILE HA 1 73 ILE MG . . 3.590 2.179 2.153 2.199 . 0 0 "[ . 1 . 2]" 1
687 1 73 ILE HA 1 74 ILE H . . 3.360 2.261 2.136 2.427 . 0 0 "[ . 1 . 2]" 1
688 1 73 ILE HA 1 75 HIS H . . 4.160 3.903 3.692 4.157 . 0 0 "[ . 1 . 2]" 1
689 1 73 ILE HB 1 75 HIS H . . 4.130 2.961 2.717 3.136 . 0 0 "[ . 1 . 2]" 1
690 1 73 ILE MD 1 74 ILE H . . 4.710 3.925 3.700 4.131 . 0 0 "[ . 1 . 2]" 1
691 1 73 ILE MD 1 74 ILE HA . . 4.060 3.723 3.272 3.940 . 0 0 "[ . 1 . 2]" 1
692 1 73 ILE MD 1 74 ILE QG . . 4.980 4.787 4.458 5.022 0.042 7 0 "[ . 1 . 2]" 1
693 1 73 ILE MD 1 75 HIS H . . 4.250 4.241 4.007 4.320 0.070 19 0 "[ . 1 . 2]" 1
694 1 73 ILE HG13 1 73 ILE MG . . 3.450 2.458 2.431 2.510 . 0 0 "[ . 1 . 2]" 1
695 1 73 ILE MG 1 74 ILE H . . 3.950 3.181 3.047 3.294 . 0 0 "[ . 1 . 2]" 1
696 1 73 ILE MG 1 75 HIS H . . 3.850 3.753 3.494 3.867 0.017 8 0 "[ . 1 . 2]" 1
697 1 73 ILE MG 1 76 ALA HA . . 5.500 4.906 4.732 5.219 . 0 0 "[ . 1 . 2]" 1
698 1 73 ILE MG 1 76 ALA MB . . 4.180 3.882 3.527 4.203 0.023 6 0 "[ . 1 . 2]" 1
699 1 74 ILE H 1 74 ILE HB . . 3.610 2.688 2.543 2.961 . 0 0 "[ . 1 . 2]" 1
700 1 74 ILE H 1 74 ILE MD . . 3.940 3.283 2.158 3.963 0.023 12 0 "[ . 1 . 2]" 1
701 1 74 ILE H 1 74 ILE HG12 . . 4.270 3.606 2.459 4.500 0.230 17 0 "[ . 1 . 2]" 1
702 1 74 ILE H 1 74 ILE QG . . 3.500 2.836 2.255 3.521 0.021 9 0 "[ . 1 . 2]" 1
703 1 74 ILE H 1 74 ILE HG13 . . 4.270 3.338 2.280 4.010 . 0 0 "[ . 1 . 2]" 1
704 1 74 ILE H 1 74 ILE MG . . 3.960 3.890 3.825 3.994 0.034 17 0 "[ . 1 . 2]" 1
705 1 74 ILE H 1 75 HIS H . . 3.230 1.928 1.779 2.052 . 0 0 "[ . 1 . 2]" 1
706 1 74 ILE H 1 94 ALA MB . . 4.880 4.334 3.571 4.889 0.009 8 0 "[ . 1 . 2]" 1
707 1 74 ILE HA 1 74 ILE MD . . 3.910 3.193 2.131 3.887 . 0 0 "[ . 1 . 2]" 1
708 1 74 ILE HA 1 74 ILE MG . . 3.160 2.387 2.283 2.480 . 0 0 "[ . 1 . 2]" 1
709 1 74 ILE HA 1 75 HIS HA . . 4.750 4.559 4.453 4.639 . 0 0 "[ . 1 . 2]" 1
710 1 74 ILE HA 1 75 HIS QB . . 5.300 4.436 4.272 4.587 . 0 0 "[ . 1 . 2]" 1
711 1 74 ILE HB 1 74 ILE MD . . 3.700 2.623 2.165 3.260 . 0 0 "[ . 1 . 2]" 1
712 1 74 ILE HB 1 75 HIS H . . 3.480 2.962 2.581 3.222 . 0 0 "[ . 1 . 2]" 1
713 1 74 ILE HB 1 88 LEU MD1 . . 4.180 2.443 2.130 2.892 . 0 0 "[ . 1 . 2]" 1
714 1 74 ILE HB 1 88 LEU MD2 . . 3.940 3.139 2.500 3.652 . 0 0 "[ . 1 . 2]" 1
715 1 74 ILE MD 1 74 ILE MG . . 3.380 2.326 1.846 3.217 . 0 0 "[ . 1 . 2]" 1
716 1 74 ILE MD 1 92 SER HB2 . . 4.270 3.026 2.046 4.057 . 0 0 "[ . 1 . 2]" 1
717 1 74 ILE MD 1 92 SER QB . . 3.640 2.551 1.932 3.609 . 0 0 "[ . 1 . 2]" 1
718 1 74 ILE MD 1 92 SER HB3 . . 4.270 2.906 2.093 4.044 . 0 0 "[ . 1 . 2]" 1
719 1 74 ILE MD 1 94 ALA MB . . 4.260 2.833 1.837 4.313 0.053 7 0 "[ . 1 . 2]" 1
720 1 74 ILE QG 1 88 LEU MD1 . . 5.040 3.642 2.842 4.223 . 0 0 "[ . 1 . 2]" 1
721 1 74 ILE QG 1 88 LEU MD2 . . 4.560 3.694 2.604 4.592 0.032 19 0 "[ . 1 . 2]" 1
722 1 74 ILE MG 1 75 HIS H . . 4.380 3.809 3.539 3.994 . 0 0 "[ . 1 . 2]" 1
723 1 74 ILE MG 1 75 HIS QB . . 4.290 2.789 2.357 3.043 . 0 0 "[ . 1 . 2]" 1
724 1 74 ILE MG 1 88 LEU MD2 . . 2.870 2.130 1.910 2.487 . 0 0 "[ . 1 . 2]" 1
725 1 74 ILE MG 1 88 LEU HG . . 3.440 3.328 3.004 3.459 0.019 12 0 "[ . 1 . 2]" 1
726 1 74 ILE MG 1 92 SER QB . . 4.730 3.168 2.172 4.125 . 0 0 "[ . 1 . 2]" 1
727 1 75 HIS H 1 75 HIS QB . . 3.730 2.667 2.469 2.798 . 0 0 "[ . 1 . 2]" 1
728 1 75 HIS H 1 76 ALA MB . . 4.400 4.351 4.162 4.468 0.068 6 0 "[ . 1 . 2]" 1
729 1 75 HIS HA 1 76 ALA H . . 3.280 2.157 2.068 2.275 . 0 0 "[ . 1 . 2]" 1
730 1 75 HIS QB 1 76 ALA H . . 4.560 3.756 3.594 3.913 . 0 0 "[ . 1 . 2]" 1
731 1 75 HIS QB 1 88 LEU MD1 . . 4.300 2.684 2.384 3.044 . 0 0 "[ . 1 . 2]" 1
732 1 75 HIS QB 1 88 LEU MD2 . . 4.350 3.547 3.125 3.861 . 0 0 "[ . 1 . 2]" 1
733 1 75 HIS HD2 1 88 LEU MD1 . . 4.360 3.260 2.566 3.784 . 0 0 "[ . 1 . 2]" 1
734 1 75 HIS HD2 1 88 LEU MD2 . . 4.470 4.499 4.283 4.559 0.089 14 0 "[ . 1 . 2]" 1
735 1 76 ALA H 1 76 ALA MB . . 3.500 2.419 2.258 2.583 . 0 0 "[ . 1 . 2]" 1
736 1 76 ALA H 1 77 ALA H . . 4.460 4.262 4.156 4.411 . 0 0 "[ . 1 . 2]" 1
737 1 76 ALA HA 1 77 ALA H . . 2.870 2.199 2.140 2.272 . 0 0 "[ . 1 . 2]" 1
738 1 76 ALA HA 1 77 ALA MB . . 4.170 3.950 3.880 4.044 . 0 0 "[ . 1 . 2]" 1
739 1 76 ALA MB 1 77 ALA H . . 3.530 3.048 2.901 3.305 . 0 0 "[ . 1 . 2]" 1
740 1 77 ALA H 1 77 ALA MB . . 3.620 2.724 2.610 2.808 . 0 0 "[ . 1 . 2]" 1
741 1 77 ALA H 1 78 VAL H . . 4.540 4.269 4.095 4.348 . 0 0 "[ . 1 . 2]" 1
742 1 77 ALA HA 1 78 VAL H . . 2.870 2.265 2.120 2.410 . 0 0 "[ . 1 . 2]" 1
743 1 77 ALA HA 1 78 VAL HA . . 4.470 4.308 4.274 4.339 . 0 0 "[ . 1 . 2]" 1
744 1 77 ALA MB 1 78 VAL H . . 3.050 2.658 2.376 3.033 . 0 0 "[ . 1 . 2]" 1
745 1 77 ALA MB 1 78 VAL HA . . 4.950 4.104 4.034 4.195 . 0 0 "[ . 1 . 2]" 1
746 1 78 VAL H 1 78 VAL HB . . 3.060 2.964 2.904 3.027 . 0 0 "[ . 1 . 2]" 1
747 1 78 VAL H 1 78 VAL QG . . 2.910 2.003 1.917 2.069 . 0 0 "[ . 1 . 2]" 1
748 1 78 VAL HA 1 79 GLY H . . 3.570 2.096 2.057 2.173 . 0 0 "[ . 1 . 2]" 1
749 1 78 VAL HB 1 79 GLY H . . 4.510 4.401 4.350 4.520 0.010 3 0 "[ . 1 . 2]" 1
750 1 78 VAL QG 1 79 GLY H . . 3.530 3.228 3.117 3.292 . 0 0 "[ . 1 . 2]" 1
751 1 78 VAL QG 1 80 ALA H . . 5.440 5.298 5.190 5.428 . 0 0 "[ . 1 . 2]" 1
752 1 79 GLY H 1 80 ALA H . . 4.570 4.226 4.177 4.341 . 0 0 "[ . 1 . 2]" 1
753 1 79 GLY H 1 80 ALA HA . . 5.040 4.533 4.312 4.858 . 0 0 "[ . 1 . 2]" 1
754 1 79 GLY H 1 101 VAL MG1 . . 5.000 3.821 3.142 4.756 . 0 0 "[ . 1 . 2]" 1
755 1 79 GLY QA 1 80 ALA HA . . 4.320 3.915 3.845 3.988 . 0 0 "[ . 1 . 2]" 1
756 1 79 GLY HA2 1 80 ALA H . . 2.980 2.446 2.392 2.513 . 0 0 "[ . 1 . 2]" 1
757 1 79 GLY HA3 1 80 ALA H . . 2.980 2.580 2.516 2.640 . 0 0 "[ . 1 . 2]" 1
758 1 80 ALA H 1 80 ALA MB . . 2.770 2.229 2.163 2.320 . 0 0 "[ . 1 . 2]" 1
759 1 80 ALA H 1 81 ILE H . . 4.710 4.431 4.255 4.603 . 0 0 "[ . 1 . 2]" 1
760 1 80 ALA H 1 101 VAL HB . . 4.300 4.058 3.793 4.392 0.092 12 0 "[ . 1 . 2]" 1
761 1 80 ALA H 1 101 VAL MG1 . . 4.340 3.982 3.407 4.384 0.044 20 0 "[ . 1 . 2]" 1
762 1 80 ALA H 1 101 VAL MG2 . . 4.870 4.712 4.469 4.908 0.038 17 0 "[ . 1 . 2]" 1
763 1 80 ALA HA 1 81 ILE H . . 3.160 2.711 2.481 3.024 . 0 0 "[ . 1 . 2]" 1
764 1 80 ALA HA 1 99 PHE H . . 5.450 5.496 5.373 5.590 0.140 2 0 "[ . 1 . 2]" 1
765 1 80 ALA HA 1 101 VAL HB . . 3.300 1.911 1.806 2.206 . 0 0 "[ . 1 . 2]" 1
766 1 80 ALA HA 1 101 VAL MG1 . . 3.670 2.773 2.194 3.161 . 0 0 "[ . 1 . 2]" 1
767 1 80 ALA HA 1 101 VAL MG2 . . 3.760 2.382 2.277 2.529 . 0 0 "[ . 1 . 2]" 1
768 1 80 ALA HA 1 102 ARG H . . 4.840 4.398 4.101 4.803 . 0 0 "[ . 1 . 2]" 1
769 1 80 ALA MB 1 81 ILE H . . 3.050 2.074 1.818 2.328 . 0 0 "[ . 1 . 2]" 1
770 1 80 ALA MB 1 81 ILE HA . . 4.340 4.189 4.085 4.314 . 0 0 "[ . 1 . 2]" 1
771 1 80 ALA MB 1 81 ILE HB . . 4.360 4.128 3.785 4.354 . 0 0 "[ . 1 . 2]" 1
772 1 80 ALA MB 1 81 ILE MD . . 3.790 3.554 3.206 3.910 0.120 10 0 "[ . 1 . 2]" 1
773 1 80 ALA MB 1 101 VAL HB . . 3.660 2.120 1.951 2.354 . 0 0 "[ . 1 . 2]" 1
774 1 80 ALA MB 1 101 VAL MG1 . . 3.010 3.010 2.626 3.094 0.084 1 0 "[ . 1 . 2]" 1
775 1 80 ALA MB 1 101 VAL MG2 . . 3.450 3.229 2.945 3.490 0.040 14 0 "[ . 1 . 2]" 1
776 1 80 ALA MB 1 102 ARG H . . 5.100 3.950 3.607 4.309 . 0 0 "[ . 1 . 2]" 1
777 1 80 ALA MB 1 103 PRO HA . . 4.200 3.398 3.081 3.582 . 0 0 "[ . 1 . 2]" 1
778 1 80 ALA MB 1 104 ASP H . . 5.130 4.421 3.935 4.903 . 0 0 "[ . 1 . 2]" 1
779 1 81 ILE H 1 81 ILE HB . . 3.430 2.510 2.367 2.859 . 0 0 "[ . 1 . 2]" 1
780 1 81 ILE H 1 81 ILE MD . . 3.810 2.378 2.059 3.192 . 0 0 "[ . 1 . 2]" 1
781 1 81 ILE H 1 81 ILE MG . . 4.050 3.778 3.697 3.820 . 0 0 "[ . 1 . 2]" 1
782 1 81 ILE H 1 96 VAL QG . . 4.970 4.904 4.656 5.019 0.049 17 0 "[ . 1 . 2]" 1
783 1 81 ILE H 1 101 VAL HB . . 4.660 3.590 3.331 3.836 . 0 0 "[ . 1 . 2]" 1
784 1 81 ILE H 1 101 VAL MG1 . . 5.350 4.861 4.477 5.152 . 0 0 "[ . 1 . 2]" 1
785 1 81 ILE H 1 101 VAL MG2 . . 4.500 3.389 3.065 3.805 . 0 0 "[ . 1 . 2]" 1
786 1 81 ILE H 1 102 ARG H . . 4.820 4.304 3.920 4.586 . 0 0 "[ . 1 . 2]" 1
787 1 81 ILE H 1 103 PRO HA . . 3.600 2.599 2.313 3.063 . 0 0 "[ . 1 . 2]" 1
788 1 81 ILE H 1 103 PRO HB3 . . 4.270 4.274 4.130 4.349 0.079 10 0 "[ . 1 . 2]" 1
789 1 81 ILE H 1 104 ASP H . . 5.500 4.400 3.894 5.159 . 0 0 "[ . 1 . 2]" 1
790 1 81 ILE HA 1 82 THR H . . 3.150 2.122 2.035 2.193 . 0 0 "[ . 1 . 2]" 1
791 1 81 ILE HA 1 82 THR MG . . 4.510 3.883 3.649 4.255 . 0 0 "[ . 1 . 2]" 1
792 1 81 ILE HA 1 85 ASP QB . . 4.200 3.484 3.132 3.827 . 0 0 "[ . 1 . 2]" 1
793 1 81 ILE HA 1 96 VAL QG . . 3.870 3.336 2.953 3.698 . 0 0 "[ . 1 . 2]" 1
794 1 81 ILE HB 1 86 ILE MD . . 4.850 4.213 3.495 4.587 . 0 0 "[ . 1 . 2]" 1
795 1 81 ILE HB 1 103 PRO HA . . 3.630 2.046 1.895 2.513 . 0 0 "[ . 1 . 2]" 1
796 1 81 ILE HB 1 103 PRO HB3 . . 4.180 2.136 1.850 2.289 . 0 0 "[ . 1 . 2]" 1
797 1 81 ILE HB 1 104 ASP H . . 5.350 3.817 3.355 4.492 . 0 0 "[ . 1 . 2]" 1
798 1 81 ILE HB 1 107 ALA MB . . 4.420 3.698 3.048 4.012 . 0 0 "[ . 1 . 2]" 1
799 1 81 ILE HB 1 118 ILE HB . . 5.020 4.443 4.004 4.913 . 0 0 "[ . 1 . 2]" 1
800 1 81 ILE MD 1 96 VAL QG . . 2.840 2.706 1.878 2.889 0.049 20 0 "[ . 1 . 2]" 1
801 1 81 ILE MD 1 101 VAL HB . . 4.240 3.816 3.280 4.298 0.058 13 0 "[ . 1 . 2]" 1
802 1 81 ILE MD 1 102 ARG HA . . 4.660 3.050 2.598 4.124 . 0 0 "[ . 1 . 2]" 1
803 1 81 ILE MD 1 103 PRO HA . . 4.620 3.536 3.199 4.078 . 0 0 "[ . 1 . 2]" 1
804 1 81 ILE MD 1 103 PRO HB3 . . 4.410 3.835 3.254 4.438 0.028 15 0 "[ . 1 . 2]" 1
805 1 81 ILE MD 1 103 PRO QD . . 4.300 3.676 2.910 4.366 0.066 15 0 "[ . 1 . 2]" 1
806 1 81 ILE MD 1 103 PRO HG3 . . 4.340 3.658 2.690 4.350 0.010 8 0 "[ . 1 . 2]" 1
807 1 81 ILE MD 1 118 ILE HA . . 5.370 5.152 4.218 5.406 0.036 1 0 "[ . 1 . 2]" 1
808 1 81 ILE MD 1 118 ILE MG . . 3.930 3.905 3.208 4.057 0.127 17 0 "[ . 1 . 2]" 1
809 1 81 ILE MD 1 120 LEU QB . . 4.780 3.302 2.368 4.727 . 0 0 "[ . 1 . 2]" 1
810 1 81 ILE MD 1 120 LEU QD . . 3.590 2.162 1.789 2.971 . 0 0 "[ . 1 . 2]" 1
811 1 81 ILE MG 1 82 THR H . . 3.750 3.048 2.816 3.280 . 0 0 "[ . 1 . 2]" 1
812 1 81 ILE MG 1 83 GLU HA . . 4.470 4.376 4.079 4.537 0.067 15 0 "[ . 1 . 2]" 1
813 1 81 ILE MG 1 85 ASP H . . 4.810 4.716 4.386 4.891 0.081 15 0 "[ . 1 . 2]" 1
814 1 81 ILE MG 1 85 ASP HB2 . . 4.550 3.822 2.714 5.320 0.770 15 2 "[ . 1 +- 2]" 1
815 1 81 ILE MG 1 85 ASP QB . . 3.890 3.288 2.645 3.901 0.011 16 0 "[ . 1 . 2]" 1
816 1 81 ILE MG 1 85 ASP HB3 . . 4.550 3.934 3.281 4.562 0.012 19 0 "[ . 1 . 2]" 1
817 1 81 ILE MG 1 86 ILE H . . 4.250 4.039 3.734 4.252 0.002 4 0 "[ . 1 . 2]" 1
818 1 81 ILE MG 1 86 ILE MD . . 2.870 2.046 1.866 2.402 . 0 0 "[ . 1 . 2]" 1
819 1 81 ILE MG 1 96 VAL QG . . 4.280 2.455 1.900 2.938 . 0 0 "[ . 1 . 2]" 1
820 1 81 ILE MG 1 103 PRO HA . . 4.000 3.226 2.914 3.623 . 0 0 "[ . 1 . 2]" 1
821 1 81 ILE MG 1 103 PRO HB3 . . 3.390 2.351 2.023 2.847 . 0 0 "[ . 1 . 2]" 1
822 1 81 ILE MG 1 104 ASP H . . 4.500 3.734 3.383 4.390 . 0 0 "[ . 1 . 2]" 1
823 1 81 ILE MG 1 107 ALA MB . . 3.140 2.240 1.958 2.662 . 0 0 "[ . 1 . 2]" 1
824 1 81 ILE MG 1 118 ILE H . . 5.320 5.322 5.117 5.401 0.081 14 0 "[ . 1 . 2]" 1
825 1 81 ILE MG 1 118 ILE HA . . 5.340 4.699 4.202 5.060 . 0 0 "[ . 1 . 2]" 1
826 1 81 ILE MG 1 118 ILE MG . . 2.980 1.950 1.837 2.268 . 0 0 "[ . 1 . 2]" 1
827 1 82 THR H 1 82 THR MG . . 3.490 2.644 2.038 3.151 . 0 0 "[ . 1 . 2]" 1
828 1 82 THR H 1 85 ASP H . . 4.100 3.643 3.307 4.065 . 0 0 "[ . 1 . 2]" 1
829 1 82 THR H 1 85 ASP HB2 . . 3.980 2.840 2.539 3.584 . 0 0 "[ . 1 . 2]" 1
830 1 82 THR H 1 85 ASP QB . . 3.470 2.596 2.207 3.008 . 0 0 "[ . 1 . 2]" 1
831 1 82 THR H 1 85 ASP HB3 . . 3.980 3.605 2.262 4.021 0.041 1 0 "[ . 1 . 2]" 1
832 1 82 THR H 1 96 VAL QG . . 4.640 4.351 3.909 4.665 0.025 15 0 "[ . 1 . 2]" 1
833 1 82 THR HA 1 82 THR MG . . 3.340 2.547 2.180 3.243 . 0 0 "[ . 1 . 2]" 1
834 1 82 THR HA 1 83 GLU H . . 3.330 2.371 2.135 2.533 . 0 0 "[ . 1 . 2]" 1
835 1 82 THR HA 1 85 ASP H . . 4.850 4.672 4.447 4.785 . 0 0 "[ . 1 . 2]" 1
836 1 82 THR HA 1 103 PRO HB2 . . 5.000 5.356 5.214 5.510 0.510 15 2 "[ . 1 - + 2]" 1
837 1 82 THR HA 1 104 ASP H . . 4.230 3.274 3.020 4.045 . 0 0 "[ . 1 . 2]" 1
838 1 82 THR HA 1 107 ALA MB . . 3.460 2.369 1.940 2.927 . 0 0 "[ . 1 . 2]" 1
839 1 82 THR MG 1 83 GLU H . . 4.130 3.542 3.134 3.846 . 0 0 "[ . 1 . 2]" 1
840 1 83 GLU H 1 83 GLU HB2 . . 3.810 2.647 2.209 3.638 . 0 0 "[ . 1 . 2]" 1
841 1 83 GLU H 1 83 GLU QB . . 3.140 2.334 2.074 2.856 . 0 0 "[ . 1 . 2]" 1
842 1 83 GLU H 1 83 GLU HB3 . . 3.810 2.794 2.183 3.637 . 0 0 "[ . 1 . 2]" 1
843 1 83 GLU H 1 83 GLU HG2 . . 5.190 3.994 2.149 4.470 . 0 0 "[ . 1 . 2]" 1
844 1 83 GLU H 1 83 GLU QG . . 4.430 3.299 2.008 4.008 . 0 0 "[ . 1 . 2]" 1
845 1 83 GLU H 1 83 GLU HG3 . . 5.190 3.674 2.019 4.578 . 0 0 "[ . 1 . 2]" 1
846 1 83 GLU H 1 107 ALA H . . 4.340 4.294 3.644 4.441 0.101 3 0 "[ . 1 . 2]" 1
847 1 83 GLU H 1 107 ALA MB . . 4.100 2.439 2.033 2.681 . 0 0 "[ . 1 . 2]" 1
848 1 83 GLU HA 1 86 ILE H . . 3.930 3.450 2.904 3.934 0.004 9 0 "[ . 1 . 2]" 1
849 1 83 GLU HA 1 86 ILE HB . . 3.460 2.848 2.195 3.479 0.019 9 0 "[ . 1 . 2]" 1
850 1 83 GLU HA 1 86 ILE MD . . 4.180 2.792 2.091 4.121 . 0 0 "[ . 1 . 2]" 1
851 1 83 GLU HA 1 86 ILE QG . . 4.070 3.013 2.030 3.555 . 0 0 "[ . 1 . 2]" 1
852 1 83 GLU HA 1 107 ALA MB . . 3.820 2.736 2.323 3.158 . 0 0 "[ . 1 . 2]" 1
853 1 83 GLU HA 1 110 ALA MB . . 3.830 2.891 2.522 3.322 . 0 0 "[ . 1 . 2]" 1
854 1 83 GLU QB 1 107 ALA HA . . 4.490 2.963 1.979 3.933 . 0 0 "[ . 1 . 2]" 1
855 1 83 GLU QB 1 110 ALA MB . . 4.550 3.059 2.006 3.778 . 0 0 "[ . 1 . 2]" 1
856 1 83 GLU QG 1 106 ASN QB . . 4.130 3.506 2.272 4.207 0.077 4 0 "[ . 1 . 2]" 1
857 1 83 GLU QG 1 107 ALA H . . 4.910 4.325 3.009 4.959 0.049 16 0 "[ . 1 . 2]" 1
858 1 83 GLU QG 1 107 ALA HA . . 4.100 2.962 1.942 4.102 0.002 10 0 "[ . 1 . 2]" 1
859 1 83 GLU QG 1 107 ALA MB . . 4.610 3.628 2.456 4.357 . 0 0 "[ . 1 . 2]" 1
860 1 83 GLU QG 1 110 ALA MB . . 3.530 2.370 1.826 3.617 0.087 10 0 "[ . 1 . 2]" 1
861 1 83 GLU HG2 1 110 ALA MB . . 4.230 3.058 2.050 4.377 0.147 10 0 "[ . 1 . 2]" 1
862 1 83 GLU HG3 1 110 ALA MB . . 4.230 2.744 1.838 4.108 . 0 0 "[ . 1 . 2]" 1
863 1 84 SER H 1 85 ASP H . . 4.120 2.612 2.470 2.747 . 0 0 "[ . 1 . 2]" 1
864 1 84 SER H 1 86 ILE QG . . 4.990 4.917 4.383 5.022 0.032 2 0 "[ . 1 . 2]" 1
865 1 84 SER HA 1 87 SER QB . . 3.460 3.310 2.652 3.574 0.114 16 0 "[ . 1 . 2]" 1
866 1 84 SER QB 1 85 ASP H . . 4.350 3.009 2.528 3.639 . 0 0 "[ . 1 . 2]" 1
867 1 84 SER HB2 1 85 ASP H . . 5.140 3.478 2.566 4.249 . 0 0 "[ . 1 . 2]" 1
868 1 84 SER HB3 1 85 ASP H . . 5.140 3.739 2.721 4.394 . 0 0 "[ . 1 . 2]" 1
869 1 85 ASP H 1 85 ASP HB2 . . 3.780 2.452 2.236 2.668 . 0 0 "[ . 1 . 2]" 1
870 1 85 ASP H 1 85 ASP QB . . 3.120 2.340 2.184 2.477 . 0 0 "[ . 1 . 2]" 1
871 1 85 ASP H 1 85 ASP HB3 . . 3.780 3.300 2.318 3.652 . 0 0 "[ . 1 . 2]" 1
872 1 85 ASP H 1 86 ILE HA . . 5.250 4.923 4.666 5.070 . 0 0 "[ . 1 . 2]" 1
873 1 85 ASP H 1 86 ILE QG . . 4.210 3.625 3.417 3.833 . 0 0 "[ . 1 . 2]" 1
874 1 85 ASP H 1 87 SER H . . 4.370 3.874 3.595 4.161 . 0 0 "[ . 1 . 2]" 1
875 1 85 ASP HA 1 88 LEU H . . 4.590 3.614 3.306 3.827 . 0 0 "[ . 1 . 2]" 1
876 1 85 ASP HA 1 88 LEU HB2 . . 4.170 4.142 3.686 4.498 0.328 15 0 "[ . 1 . 2]" 1
877 1 85 ASP HA 1 88 LEU HB3 . . 4.500 3.677 3.146 4.215 . 0 0 "[ . 1 . 2]" 1
878 1 85 ASP QB 1 86 ILE H . . 3.670 2.676 2.365 2.927 . 0 0 "[ . 1 . 2]" 1
879 1 85 ASP HB2 1 86 ILE H . . 4.490 3.076 2.503 3.930 . 0 0 "[ . 1 . 2]" 1
880 1 85 ASP HB3 1 86 ILE H . . 4.490 3.375 2.389 3.755 . 0 0 "[ . 1 . 2]" 1
881 1 86 ILE H 1 86 ILE HB . . 3.140 2.416 2.319 2.639 . 0 0 "[ . 1 . 2]" 1
882 1 86 ILE H 1 86 ILE MD . . 3.850 3.443 2.982 3.648 . 0 0 "[ . 1 . 2]" 1
883 1 86 ILE H 1 86 ILE QG . . 3.340 2.047 1.956 2.187 . 0 0 "[ . 1 . 2]" 1
884 1 86 ILE H 1 86 ILE MG . . 3.890 3.713 3.682 3.761 . 0 0 "[ . 1 . 2]" 1
885 1 86 ILE H 1 87 SER H . . 3.260 2.620 2.495 2.734 . 0 0 "[ . 1 . 2]" 1
886 1 86 ILE H 1 87 SER QB . . 4.740 4.639 4.350 4.788 0.048 20 0 "[ . 1 . 2]" 1
887 1 86 ILE H 1 89 ALA H . . 5.410 4.856 4.657 5.131 . 0 0 "[ . 1 . 2]" 1
888 1 86 ILE H 1 107 ALA MB . . 4.390 4.474 4.426 4.540 0.150 19 0 "[ . 1 . 2]" 1
889 1 86 ILE HA 1 86 ILE MD . . 3.790 3.362 1.995 3.727 . 0 0 "[ . 1 . 2]" 1
890 1 86 ILE HA 1 86 ILE QG . . 3.630 2.413 2.217 3.030 . 0 0 "[ . 1 . 2]" 1
891 1 86 ILE HA 1 86 ILE MG . . 3.570 2.458 2.313 2.542 . 0 0 "[ . 1 . 2]" 1
892 1 86 ILE HA 1 88 LEU HB3 . . 5.050 4.717 4.363 5.064 0.014 10 0 "[ . 1 . 2]" 1
893 1 86 ILE HA 1 89 ALA H . . 4.250 2.970 2.800 3.364 . 0 0 "[ . 1 . 2]" 1
894 1 86 ILE HA 1 89 ALA MB . . 3.750 2.360 2.153 2.708 . 0 0 "[ . 1 . 2]" 1
895 1 86 ILE HA 1 90 THR H . . 5.040 4.404 4.068 4.828 . 0 0 "[ . 1 . 2]" 1
896 1 86 ILE HA 1 96 VAL QG . . 4.220 2.796 2.161 3.340 . 0 0 "[ . 1 . 2]" 1
897 1 86 ILE HA 1 116 VAL MG2 . . 4.390 3.557 3.167 4.223 . 0 0 "[ . 1 . 2]" 1
898 1 86 ILE HB 1 87 SER H . . 3.370 2.838 2.578 3.094 . 0 0 "[ . 1 . 2]" 1
899 1 86 ILE MD 1 86 ILE MG . . 3.260 1.889 1.795 2.064 . 0 0 "[ . 1 . 2]" 1
900 1 86 ILE MD 1 103 PRO HB3 . . 4.240 3.683 3.284 4.246 0.006 4 0 "[ . 1 . 2]" 1
901 1 86 ILE MD 1 107 ALA MB . . 4.200 2.169 1.911 3.146 . 0 0 "[ . 1 . 2]" 1
902 1 86 ILE MD 1 111 ALA MB . . 3.610 1.882 1.777 2.134 . 0 0 "[ . 1 . 2]" 1
903 1 86 ILE MD 1 116 VAL HB . . 5.500 5.295 4.080 5.575 0.075 13 0 "[ . 1 . 2]" 1
904 1 86 ILE MD 1 116 VAL MG2 . . 4.230 3.461 2.562 3.781 . 0 0 "[ . 1 . 2]" 1
905 1 86 ILE MD 1 118 ILE HB . . 5.500 4.431 4.073 5.113 . 0 0 "[ . 1 . 2]" 1
906 1 86 ILE MD 1 118 ILE MD . . 3.140 2.463 2.061 2.996 . 0 0 "[ . 1 . 2]" 1
907 1 86 ILE QG 1 87 SER H . . 4.210 4.034 3.926 4.167 . 0 0 "[ . 1 . 2]" 1
908 1 86 ILE QG 1 116 VAL MG2 . . 4.930 3.891 3.497 4.319 . 0 0 "[ . 1 . 2]" 1
909 1 86 ILE MG 1 87 SER H . . 3.870 3.542 3.316 3.757 . 0 0 "[ . 1 . 2]" 1
910 1 86 ILE MG 1 87 SER HA . . 3.910 3.600 3.268 3.866 . 0 0 "[ . 1 . 2]" 1
911 1 86 ILE MG 1 90 THR H . . 4.000 3.645 3.404 3.857 . 0 0 "[ . 1 . 2]" 1
912 1 86 ILE MG 1 90 THR MG . . 3.510 3.302 3.000 3.534 0.024 5 0 "[ . 1 . 2]" 1
913 1 86 ILE MG 1 107 ALA HA . . 5.160 4.535 4.404 4.972 . 0 0 "[ . 1 . 2]" 1
914 1 86 ILE MG 1 110 ALA MB . . 3.690 2.797 2.522 3.559 . 0 0 "[ . 1 . 2]" 1
915 1 86 ILE MG 1 111 ALA H . . 4.120 2.962 2.778 3.284 . 0 0 "[ . 1 . 2]" 1
916 1 86 ILE MG 1 111 ALA HA . . 3.350 1.823 1.750 1.928 . 0 0 "[ . 1 . 2]" 1
917 1 86 ILE MG 1 114 GLU HG2 . . 3.850 4.117 3.756 4.527 0.677 15 4 "[ * - 1 + * 2]" 1
918 1 86 ILE MG 1 116 VAL H . . 4.720 4.255 4.046 4.564 . 0 0 "[ . 1 . 2]" 1
919 1 86 ILE MG 1 116 VAL HB . . 3.940 3.929 3.791 4.015 0.075 4 0 "[ . 1 . 2]" 1
920 1 87 SER H 1 87 SER QB . . 2.970 2.453 2.227 2.580 . 0 0 "[ . 1 . 2]" 1
921 1 87 SER H 1 88 LEU H . . 3.410 2.808 2.670 2.979 . 0 0 "[ . 1 . 2]" 1
922 1 87 SER H 1 89 ALA H . . 4.360 4.076 3.960 4.180 . 0 0 "[ . 1 . 2]" 1
923 1 87 SER H 1 110 ALA MB . . 4.980 5.033 4.854 5.110 0.130 15 0 "[ . 1 . 2]" 1
924 1 87 SER HA 1 90 THR H . . 4.110 3.945 3.519 4.240 0.130 16 0 "[ . 1 . 2]" 1
925 1 87 SER HA 1 90 THR MG . . 3.920 2.766 2.328 3.261 . 0 0 "[ . 1 . 2]" 1
926 1 87 SER QB 1 88 LEU H . . 3.650 3.012 2.577 3.704 0.054 20 0 "[ . 1 . 2]" 1
927 1 87 SER HB2 1 88 LEU H . . 4.330 3.241 2.622 4.171 . 0 0 "[ . 1 . 2]" 1
928 1 87 SER HB3 1 88 LEU H . . 4.330 3.920 2.819 4.317 . 0 0 "[ . 1 . 2]" 1
929 1 88 LEU H 1 88 LEU HB2 . . 3.140 2.716 2.641 2.848 . 0 0 "[ . 1 . 2]" 1
930 1 88 LEU H 1 88 LEU HB3 . . 3.120 2.359 2.314 2.412 . 0 0 "[ . 1 . 2]" 1
931 1 88 LEU H 1 88 LEU MD1 . . 4.010 4.023 3.969 4.057 0.047 12 0 "[ . 1 . 2]" 1
932 1 88 LEU H 1 88 LEU MD2 . . 4.140 4.165 4.118 4.190 0.050 19 0 "[ . 1 . 2]" 1
933 1 88 LEU H 1 89 ALA H . . 3.110 2.310 2.088 2.470 . 0 0 "[ . 1 . 2]" 1
934 1 88 LEU H 1 91 ALA H . . 4.890 4.728 4.568 4.851 . 0 0 "[ . 1 . 2]" 1
935 1 88 LEU HA 1 88 LEU MD1 . . 3.440 3.425 3.400 3.465 0.025 20 0 "[ . 1 . 2]" 1
936 1 88 LEU HA 1 88 LEU MD2 . . 3.670 2.186 2.118 2.226 . 0 0 "[ . 1 . 2]" 1
937 1 88 LEU HA 1 89 ALA H . . 3.550 3.443 3.421 3.472 . 0 0 "[ . 1 . 2]" 1
938 1 88 LEU HA 1 90 THR H . . 5.110 4.785 4.558 4.979 . 0 0 "[ . 1 . 2]" 1
939 1 88 LEU HA 1 91 ALA H . . 4.170 3.392 3.220 3.500 . 0 0 "[ . 1 . 2]" 1
940 1 88 LEU HA 1 91 ALA MB . . 3.080 2.185 2.104 2.268 . 0 0 "[ . 1 . 2]" 1
941 1 88 LEU HA 1 92 SER H . . 4.500 3.745 3.580 4.086 . 0 0 "[ . 1 . 2]" 1
942 1 88 LEU HB2 1 88 LEU MD1 . . 3.370 3.197 3.169 3.216 . 0 0 "[ . 1 . 2]" 1
943 1 88 LEU HB2 1 88 LEU MD2 . . 3.280 2.539 2.499 2.577 . 0 0 "[ . 1 . 2]" 1
944 1 88 LEU HB2 1 89 ALA H . . 4.430 3.995 3.935 4.118 . 0 0 "[ . 1 . 2]" 1
945 1 88 LEU HB3 1 88 LEU MD1 . . 3.240 2.296 2.261 2.333 . 0 0 "[ . 1 . 2]" 1
946 1 88 LEU HB3 1 88 LEU MD2 . . 3.560 3.173 3.147 3.193 . 0 0 "[ . 1 . 2]" 1
947 1 88 LEU HB3 1 89 ALA H . . 3.710 2.809 2.709 3.001 . 0 0 "[ . 1 . 2]" 1
948 1 88 LEU MD1 1 89 ALA H . . 3.440 3.256 3.139 3.389 . 0 0 "[ . 1 . 2]" 1
949 1 88 LEU MD1 1 90 THR H . . 5.110 5.027 4.886 5.126 0.016 18 0 "[ . 1 . 2]" 1
950 1 88 LEU MD1 1 91 ALA H . . 5.020 4.535 4.364 4.712 . 0 0 "[ . 1 . 2]" 1
951 1 88 LEU MD1 1 91 ALA MB . . 4.040 3.925 3.848 4.011 . 0 0 "[ . 1 . 2]" 1
952 1 88 LEU MD1 1 92 SER QB . . 4.750 3.179 2.746 4.101 . 0 0 "[ . 1 . 2]" 1
953 1 88 LEU MD1 1 93 ASN H . . 4.630 4.678 4.618 4.710 0.080 7 0 "[ . 1 . 2]" 1
954 1 88 LEU MD1 1 94 ALA H . . 4.100 3.657 3.564 3.756 . 0 0 "[ . 1 . 2]" 1
955 1 88 LEU MD1 1 94 ALA MB . . 3.060 2.162 2.064 2.269 . 0 0 "[ . 1 . 2]" 1
956 1 88 LEU MD2 1 89 ALA H . . 4.170 4.180 4.141 4.204 0.034 12 0 "[ . 1 . 2]" 1
957 1 88 LEU MD2 1 91 ALA HA . . 4.890 4.986 4.938 5.026 0.136 11 0 "[ . 1 . 2]" 1
958 1 88 LEU MD2 1 94 ALA H . . 4.510 4.600 4.555 4.641 0.131 7 0 "[ . 1 . 2]" 1
959 1 88 LEU MD2 1 94 ALA MB . . 3.650 3.602 3.521 3.661 0.011 18 0 "[ . 1 . 2]" 1
960 1 88 LEU HG 1 94 ALA MB . . 4.720 4.656 4.518 4.737 0.017 5 0 "[ . 1 . 2]" 1
961 1 89 ALA H 1 89 ALA MB . . 2.930 2.208 2.176 2.243 . 0 0 "[ . 1 . 2]" 1
962 1 89 ALA H 1 90 THR H . . 3.390 2.966 2.794 3.089 . 0 0 "[ . 1 . 2]" 1
963 1 89 ALA H 1 91 ALA H . . 4.900 3.795 3.671 3.903 . 0 0 "[ . 1 . 2]" 1
964 1 89 ALA H 1 94 ALA MB . . 4.760 4.490 4.051 4.783 0.023 1 0 "[ . 1 . 2]" 1
965 1 89 ALA H 1 96 VAL QG . . 4.290 3.841 3.453 4.141 . 0 0 "[ . 1 . 2]" 1
966 1 89 ALA H 1 116 VAL MG2 . . 4.970 4.170 3.988 4.389 . 0 0 "[ . 1 . 2]" 1
967 1 89 ALA HA 1 93 ASN H . . 4.640 4.268 4.145 4.427 . 0 0 "[ . 1 . 2]" 1
968 1 89 ALA HA 1 94 ALA H . . 3.780 2.739 2.282 3.006 . 0 0 "[ . 1 . 2]" 1
969 1 89 ALA HA 1 94 ALA MB . . 3.360 2.365 1.981 2.753 . 0 0 "[ . 1 . 2]" 1
970 1 89 ALA HA 1 96 VAL QG . . 4.110 3.682 3.401 4.025 . 0 0 "[ . 1 . 2]" 1
971 1 89 ALA HA 1 116 VAL HB . . 5.270 5.032 4.817 5.260 . 0 0 "[ . 1 . 2]" 1
972 1 89 ALA HA 1 116 VAL MG1 . . 4.130 3.622 3.506 3.788 . 0 0 "[ . 1 . 2]" 1
973 1 89 ALA MB 1 90 THR H . . 3.120 2.295 2.178 2.454 . 0 0 "[ . 1 . 2]" 1
974 1 89 ALA MB 1 90 THR HA . . 4.520 3.872 3.836 3.905 . 0 0 "[ . 1 . 2]" 1
975 1 89 ALA MB 1 90 THR HB . . 4.230 4.019 3.786 4.174 . 0 0 "[ . 1 . 2]" 1
976 1 89 ALA MB 1 94 ALA MB . . 3.900 3.602 3.164 3.922 0.022 1 0 "[ . 1 . 2]" 1
977 1 89 ALA MB 1 95 ILE H . . 4.980 4.803 4.208 5.013 0.033 16 0 "[ . 1 . 2]" 1
978 1 89 ALA MB 1 96 VAL QG . . 2.980 2.078 1.870 2.294 . 0 0 "[ . 1 . 2]" 1
979 1 89 ALA MB 1 114 GLU HB2 . . 5.500 5.162 4.842 5.643 0.143 18 0 "[ . 1 . 2]" 1
980 1 89 ALA MB 1 116 VAL HB . . 4.140 2.581 2.433 2.705 . 0 0 "[ . 1 . 2]" 1
981 1 89 ALA MB 1 116 VAL MG1 . . 3.070 2.199 2.057 2.429 . 0 0 "[ . 1 . 2]" 1
982 1 89 ALA MB 1 116 VAL MG2 . . 3.010 1.890 1.846 1.988 . 0 0 "[ . 1 . 2]" 1
983 1 90 THR H 1 90 THR HB . . 3.550 2.800 2.724 2.891 . 0 0 "[ . 1 . 2]" 1
984 1 90 THR H 1 90 THR MG . . 3.360 1.944 1.795 2.023 . 0 0 "[ . 1 . 2]" 1
985 1 90 THR H 1 91 ALA H . . 3.330 2.580 2.466 2.709 . 0 0 "[ . 1 . 2]" 1
986 1 90 THR H 1 93 ASN H . . 4.970 4.811 4.666 4.974 0.004 20 0 "[ . 1 . 2]" 1
987 1 90 THR H 1 116 VAL HB . . 4.740 4.763 4.680 4.804 0.064 16 0 "[ . 1 . 2]" 1
988 1 90 THR H 1 116 VAL MG1 . . 3.700 2.813 2.673 3.006 . 0 0 "[ . 1 . 2]" 1
989 1 90 THR H 1 116 VAL MG2 . . 3.950 2.848 2.623 2.969 . 0 0 "[ . 1 . 2]" 1
990 1 90 THR HA 1 90 THR MG . . 3.430 3.222 3.189 3.238 . 0 0 "[ . 1 . 2]" 1
991 1 90 THR HA 1 93 ASN H . . 4.270 3.589 3.224 3.959 . 0 0 "[ . 1 . 2]" 1
992 1 90 THR HA 1 93 ASN HA . . 3.950 3.174 2.822 3.536 . 0 0 "[ . 1 . 2]" 1
993 1 90 THR HA 1 115 LYS HB2 . . 5.110 4.741 4.327 4.982 . 0 0 "[ . 1 . 2]" 1
994 1 90 THR HA 1 116 VAL MG1 . . 3.610 2.234 2.076 2.384 . 0 0 "[ . 1 . 2]" 1
995 1 90 THR HA 1 116 VAL MG2 . . 3.970 3.766 3.446 3.982 0.012 10 0 "[ . 1 . 2]" 1
996 1 90 THR HB 1 91 ALA H . . 4.540 4.319 4.222 4.402 . 0 0 "[ . 1 . 2]" 1
997 1 90 THR HB 1 114 GLU H . . 5.480 5.439 5.255 5.536 0.056 18 0 "[ . 1 . 2]" 1
998 1 90 THR HB 1 114 GLU HB2 . . 3.980 4.235 3.991 4.520 0.540 18 1 "[ . 1 . + 2]" 1
999 1 90 THR HB 1 114 GLU HB3 . . 3.470 2.541 2.297 2.788 . 0 0 "[ . 1 . 2]" 1
1000 1 90 THR HB 1 115 LYS HB2 . . 4.460 3.434 3.072 3.703 . 0 0 "[ . 1 . 2]" 1
1001 1 90 THR HB 1 116 VAL MG1 . . 3.230 2.373 2.131 2.506 . 0 0 "[ . 1 . 2]" 1
1002 1 90 THR MG 1 91 ALA H . . 4.030 2.656 2.456 2.979 . 0 0 "[ . 1 . 2]" 1
1003 1 90 THR MG 1 91 ALA MB . . 3.350 3.346 3.269 3.392 0.042 6 0 "[ . 1 . 2]" 1
1004 1 90 THR MG 1 114 GLU H . . 5.500 5.230 5.037 5.350 . 0 0 "[ . 1 . 2]" 1
1005 1 90 THR MG 1 114 GLU HA . . 5.130 3.383 3.131 3.536 . 0 0 "[ . 1 . 2]" 1
1006 1 90 THR MG 1 114 GLU HB2 . . 3.870 3.848 3.592 4.098 0.228 18 0 "[ . 1 . 2]" 1
1007 1 90 THR MG 1 114 GLU HG2 . . 4.200 2.547 2.208 2.907 . 0 0 "[ . 1 . 2]" 1
1008 1 90 THR MG 1 114 GLU HG3 . . 4.020 3.891 3.652 4.037 0.017 4 0 "[ . 1 . 2]" 1
1009 1 90 THR MG 1 116 VAL MG2 . . 3.200 3.188 3.040 3.245 0.045 3 0 "[ . 1 . 2]" 1
1010 1 91 ALA H 1 91 ALA MB . . 2.990 2.252 2.224 2.285 . 0 0 "[ . 1 . 2]" 1
1011 1 91 ALA H 1 92 SER H . . 3.610 2.803 2.589 2.949 . 0 0 "[ . 1 . 2]" 1
1012 1 91 ALA H 1 92 SER QB . . 5.230 4.986 4.751 5.246 0.016 18 0 "[ . 1 . 2]" 1
1013 1 91 ALA H 1 93 ASN H . . 4.000 3.483 3.235 3.706 . 0 0 "[ . 1 . 2]" 1
1014 1 91 ALA H 1 94 ALA H . . 5.500 4.625 4.290 5.024 . 0 0 "[ . 1 . 2]" 1
1015 1 91 ALA HA 1 93 ASN H . . 4.210 4.133 4.037 4.229 0.019 20 0 "[ . 1 . 2]" 1
1016 1 91 ALA MB 1 92 SER H . . 3.490 2.174 2.006 2.434 . 0 0 "[ . 1 . 2]" 1
1017 1 91 ALA MB 1 93 ASN H . . 3.920 3.907 3.775 3.962 0.042 16 0 "[ . 1 . 2]" 1
1018 1 91 ALA MB 1 94 ALA H . . 5.200 5.048 4.942 5.187 . 0 0 "[ . 1 . 2]" 1
1019 1 92 SER H 1 92 SER HB2 . . 3.730 2.775 2.419 3.628 . 0 0 "[ . 1 . 2]" 1
1020 1 92 SER H 1 92 SER HB3 . . 3.730 3.291 2.544 3.695 . 0 0 "[ . 1 . 2]" 1
1021 1 92 SER H 1 93 ASN H . . 3.540 2.279 1.925 2.431 . 0 0 "[ . 1 . 2]" 1
1022 1 92 SER H 1 93 ASN HA . . 4.850 4.417 3.974 4.646 . 0 0 "[ . 1 . 2]" 1
1023 1 92 SER H 1 93 ASN QD . . 5.120 4.860 3.844 5.272 0.152 9 0 "[ . 1 . 2]" 1
1024 1 92 SER H 1 94 ALA H . . 4.040 3.476 3.104 4.044 0.004 20 0 "[ . 1 . 2]" 1
1025 1 92 SER HA 1 93 ASN QB . . 4.380 4.237 4.086 4.460 0.080 5 0 "[ . 1 . 2]" 1
1026 1 92 SER QB 1 93 ASN H . . 4.120 3.504 3.328 3.816 . 0 0 "[ . 1 . 2]" 1
1027 1 92 SER HB2 1 93 ASN H . . 4.960 3.856 3.470 4.391 . 0 0 "[ . 1 . 2]" 1
1028 1 92 SER HB3 1 93 ASN H . . 4.960 4.186 3.642 4.370 . 0 0 "[ . 1 . 2]" 1
1029 1 93 ASN H 1 93 ASN HA . . 2.770 2.229 2.091 2.290 . 0 0 "[ . 1 . 2]" 1
1030 1 93 ASN H 1 93 ASN QB . . 3.610 3.308 3.017 3.443 . 0 0 "[ . 1 . 2]" 1
1031 1 93 ASN H 1 94 ALA H . . 3.510 2.479 2.279 2.829 . 0 0 "[ . 1 . 2]" 1
1032 1 93 ASN H 1 116 VAL MG1 . . 4.930 4.511 4.180 4.942 0.012 10 0 "[ . 1 . 2]" 1
1033 1 93 ASN HA 1 94 ALA H . . 3.560 2.601 2.195 2.856 . 0 0 "[ . 1 . 2]" 1
1034 1 93 ASN HA 1 116 VAL MG1 . . 4.090 3.539 3.171 3.992 . 0 0 "[ . 1 . 2]" 1
1035 1 93 ASN QB 1 94 ALA H . . 4.040 3.861 3.730 4.050 0.010 6 0 "[ . 1 . 2]" 1
1036 1 93 ASN HB2 1 94 ALA H . . 4.750 4.317 4.037 4.586 . 0 0 "[ . 1 . 2]" 1
1037 1 93 ASN HB3 1 94 ALA H . . 4.750 4.370 4.160 4.521 . 0 0 "[ . 1 . 2]" 1
1038 1 94 ALA H 1 94 ALA MB . . 3.540 2.274 2.177 2.462 . 0 0 "[ . 1 . 2]" 1
1039 1 94 ALA H 1 116 VAL MG1 . . 4.380 4.083 3.819 4.376 . 0 0 "[ . 1 . 2]" 1
1040 1 94 ALA MB 1 95 ILE H . . 4.150 2.848 2.355 3.326 . 0 0 "[ . 1 . 2]" 1
1041 1 95 ILE H 1 95 ILE HB . . 4.000 3.157 2.413 3.881 . 0 0 "[ . 1 . 2]" 1
1042 1 95 ILE HA 1 96 VAL H . . 3.510 2.261 2.191 2.373 . 0 0 "[ . 1 . 2]" 1
1043 1 95 ILE HA 1 116 VAL HB . . 3.870 3.617 3.314 3.819 . 0 0 "[ . 1 . 2]" 1
1044 1 95 ILE HA 1 116 VAL MG1 . . 4.450 3.789 3.572 4.025 . 0 0 "[ . 1 . 2]" 1
1045 1 95 ILE HA 1 116 VAL MG2 . . 4.680 4.721 4.444 4.798 0.118 2 0 "[ . 1 . 2]" 1
1046 1 96 VAL H 1 96 VAL HB . . 3.970 2.673 2.431 2.839 . 0 0 "[ . 1 . 2]" 1
1047 1 96 VAL H 1 96 VAL QG . . 3.810 2.228 2.151 2.311 . 0 0 "[ . 1 . 2]" 1
1048 1 96 VAL H 1 97 ILE H . . 4.630 4.295 4.039 4.419 . 0 0 "[ . 1 . 2]" 1
1049 1 96 VAL H 1 118 ILE HB . . 5.180 4.932 4.524 5.276 0.096 20 0 "[ . 1 . 2]" 1
1050 1 96 VAL HA 1 97 ILE HA . . 4.750 4.327 4.271 4.434 . 0 0 "[ . 1 . 2]" 1
1051 1 96 VAL HB 1 97 ILE H . . 4.380 4.137 3.936 4.392 0.012 20 0 "[ . 1 . 2]" 1
1052 1 96 VAL HB 1 118 ILE HA . . 4.970 3.013 2.276 3.813 . 0 0 "[ . 1 . 2]" 1
1053 1 96 VAL HB 1 118 ILE HB . . 4.290 3.238 2.845 3.556 . 0 0 "[ . 1 . 2]" 1
1054 1 96 VAL HB 1 118 ILE MD . . 4.590 4.523 4.045 4.695 0.105 13 0 "[ . 1 . 2]" 1
1055 1 96 VAL HB 1 118 ILE MG . . 4.330 1.893 1.797 2.154 . 0 0 "[ . 1 . 2]" 1
1056 1 96 VAL QG 1 97 ILE H . . 3.390 2.868 2.563 3.271 . 0 0 "[ . 1 . 2]" 1
1057 1 96 VAL QG 1 97 ILE HA . . 4.360 3.737 3.457 3.963 . 0 0 "[ . 1 . 2]" 1
1058 1 97 ILE H 1 97 ILE HG12 . . 5.350 3.673 2.038 4.866 . 0 0 "[ . 1 . 2]" 1
1059 1 97 ILE H 1 97 ILE QG . . 4.640 3.088 2.000 4.276 . 0 0 "[ . 1 . 2]" 1
1060 1 97 ILE H 1 97 ILE HG13 . . 5.350 3.621 2.412 4.946 . 0 0 "[ . 1 . 2]" 1
1061 1 97 ILE H 1 97 ILE MG . . 3.950 3.030 1.949 3.838 . 0 0 "[ . 1 . 2]" 1
1062 1 97 ILE H 1 98 GLY H . . 4.420 4.248 4.046 4.474 0.054 20 0 "[ . 1 . 2]" 1
1063 1 97 ILE HA 1 120 LEU HA . . 5.500 4.195 3.669 4.727 . 0 0 "[ . 1 . 2]" 1
1064 1 97 ILE HA 1 120 LEU QD . . 4.320 4.225 3.637 4.438 0.118 5 0 "[ . 1 . 2]" 1
1065 1 97 ILE MG 1 98 GLY H . . 4.570 3.443 2.379 4.220 . 0 0 "[ . 1 . 2]" 1
1066 1 98 GLY H 1 119 ARG H . . 4.130 3.955 3.505 4.142 0.012 3 0 "[ . 1 . 2]" 1
1067 1 98 GLY H 1 119 ARG HA . . 5.500 5.066 4.877 5.536 0.036 12 0 "[ . 1 . 2]" 1
1068 1 98 GLY H 1 120 LEU HA . . 4.450 2.760 2.245 3.292 . 0 0 "[ . 1 . 2]" 1
1069 1 99 PHE H 1 101 VAL HB . . 4.920 4.984 4.912 5.036 0.116 12 0 "[ . 1 . 2]" 1
1070 1 99 PHE H 1 101 VAL MG1 . . 4.250 3.528 2.799 4.039 . 0 0 "[ . 1 . 2]" 1
1071 1 99 PHE HA 1 100 ASN H . . 3.530 2.086 1.912 2.184 . 0 0 "[ . 1 . 2]" 1
1072 1 99 PHE HA 1 100 ASN HA . . 4.480 4.282 4.122 4.375 . 0 0 "[ . 1 . 2]" 1
1073 1 99 PHE HA 1 101 VAL H . . 4.050 3.865 3.419 4.058 0.008 7 0 "[ . 1 . 2]" 1
1074 1 99 PHE HA 1 120 LEU HA . . 4.330 3.984 3.239 4.359 0.029 16 0 "[ . 1 . 2]" 1
1075 1 99 PHE HA 1 121 HIS H . . 4.430 2.871 2.040 3.775 . 0 0 "[ . 1 . 2]" 1
1076 1 100 ASN H 1 101 VAL H . . 4.000 2.997 2.609 3.286 . 0 0 "[ . 1 . 2]" 1
1077 1 100 ASN H 1 120 LEU QB . . 4.860 3.634 2.422 4.909 0.049 13 0 "[ . 1 . 2]" 1
1078 1 100 ASN H 1 120 LEU QD . . 4.660 4.062 2.147 4.731 0.071 6 0 "[ . 1 . 2]" 1
1079 1 100 ASN H 1 121 HIS H . . 4.020 2.962 2.039 3.791 . 0 0 "[ . 1 . 2]" 1
1080 1 100 ASN H 1 121 HIS HA . . 4.940 3.520 2.478 5.003 0.063 6 0 "[ . 1 . 2]" 1
1081 1 100 ASN H 1 121 HIS QB . . 3.850 2.869 1.830 3.935 0.085 10 0 "[ . 1 . 2]" 1
1082 1 100 ASN HA 1 102 ARG H . . 5.500 4.495 3.941 5.184 . 0 0 "[ . 1 . 2]" 1
1083 1 100 ASN HA 1 102 ARG QD . . 5.090 3.643 3.110 4.357 . 0 0 "[ . 1 . 2]" 1
1084 1 100 ASN QB 1 101 VAL H . . 4.330 3.150 2.655 3.793 . 0 0 "[ . 1 . 2]" 1
1085 1 100 ASN QB 1 101 VAL HA . . 4.590 4.153 3.908 4.287 . 0 0 "[ . 1 . 2]" 1
1086 1 101 VAL H 1 101 VAL MG1 . . 3.790 2.608 2.346 3.009 . 0 0 "[ . 1 . 2]" 1
1087 1 101 VAL H 1 101 VAL MG2 . . 3.330 1.888 1.794 1.981 . 0 0 "[ . 1 . 2]" 1
1088 1 101 VAL H 1 102 ARG H . . 4.400 2.780 2.306 3.260 . 0 0 "[ . 1 . 2]" 1
1089 1 101 VAL H 1 102 ARG QD . . 5.500 4.966 3.529 5.317 . 0 0 "[ . 1 . 2]" 1
1090 1 101 VAL HA 1 101 VAL MG1 . . 3.430 2.217 2.123 2.275 . 0 0 "[ . 1 . 2]" 1
1091 1 101 VAL HB 1 102 ARG H . . 3.250 3.216 2.652 3.304 0.054 10 0 "[ . 1 . 2]" 1
1092 1 101 VAL HB 1 102 ARG QG . . 5.500 5.206 4.952 5.354 . 0 0 "[ . 1 . 2]" 1
1093 1 101 VAL MG1 1 102 ARG H . . 4.120 4.005 3.919 4.081 . 0 0 "[ . 1 . 2]" 1
1094 1 101 VAL MG2 1 102 ARG H . . 3.810 1.885 1.784 2.001 . 0 0 "[ . 1 . 2]" 1
1095 1 102 ARG H 1 102 ARG QD . . 4.830 4.215 2.943 4.712 . 0 0 "[ . 1 . 2]" 1
1096 1 102 ARG H 1 102 ARG QG . . 3.760 2.731 2.556 3.226 . 0 0 "[ . 1 . 2]" 1
1097 1 102 ARG H 1 103 PRO QD . . 4.420 4.202 3.915 4.408 . 0 0 "[ . 1 . 2]" 1
1098 1 102 ARG H 1 120 LEU QD . . 5.020 2.972 1.779 4.294 . 0 0 "[ . 1 . 2]" 1
1099 1 102 ARG H 1 120 LEU HG . . 4.090 3.112 1.782 4.123 0.033 3 0 "[ . 1 . 2]" 1
1100 1 102 ARG HA 1 102 ARG QD . . 4.280 3.965 3.278 4.196 . 0 0 "[ . 1 . 2]" 1
1101 1 102 ARG HA 1 102 ARG QG . . 3.520 2.329 2.055 2.490 . 0 0 "[ . 1 . 2]" 1
1102 1 102 ARG HA 1 103 PRO QD . . 3.650 2.135 1.913 2.368 . 0 0 "[ . 1 . 2]" 1
1103 1 102 ARG HA 1 120 LEU MD1 . . 4.170 2.700 1.909 3.569 . 0 0 "[ . 1 . 2]" 1
1104 1 102 ARG HA 1 120 LEU QD . . 3.590 2.326 1.900 3.022 . 0 0 "[ . 1 . 2]" 1
1105 1 102 ARG HA 1 120 LEU MD2 . . 4.170 2.885 2.028 3.453 . 0 0 "[ . 1 . 2]" 1
1106 1 102 ARG HA 1 120 LEU HG . . 4.010 1.940 1.793 2.218 . 0 0 "[ . 1 . 2]" 1
1107 1 102 ARG QB 1 102 ARG QD . . 3.280 2.426 2.258 2.706 . 0 0 "[ . 1 . 2]" 1
1108 1 102 ARG QB 1 103 PRO QD . . 3.530 2.144 1.956 2.612 . 0 0 "[ . 1 . 2]" 1
1109 1 102 ARG QD 1 120 LEU QD . . 4.450 3.649 3.113 4.471 0.021 16 0 "[ . 1 . 2]" 1
1110 1 102 ARG QD 1 120 LEU HG . . 4.740 4.592 2.721 4.859 0.119 10 0 "[ . 1 . 2]" 1
1111 1 102 ARG QD 1 121 HIS QB . . 4.450 4.141 2.482 4.556 0.106 12 0 "[ . 1 . 2]" 1
1112 1 102 ARG QG 1 103 PRO QD . . 4.750 3.063 2.715 3.363 . 0 0 "[ . 1 . 2]" 1
1113 1 102 ARG QG 1 120 LEU HG . . 4.270 2.823 1.899 3.569 . 0 0 "[ . 1 . 2]" 1
1114 1 103 PRO HA 1 104 ASP H . . 3.200 2.250 2.134 2.449 . 0 0 "[ . 1 . 2]" 1
1115 1 103 PRO HA 1 107 ALA MB . . 4.060 3.351 3.213 3.473 . 0 0 "[ . 1 . 2]" 1
1116 1 103 PRO HB2 1 104 ASP H . . 3.930 2.624 2.229 2.761 . 0 0 "[ . 1 . 2]" 1
1117 1 103 PRO HB2 1 107 ALA MB . . 3.650 2.455 2.227 2.639 . 0 0 "[ . 1 . 2]" 1
1118 1 103 PRO HB2 1 108 LYS H . . 3.820 2.749 2.535 2.917 . 0 0 "[ . 1 . 2]" 1
1119 1 103 PRO HB2 1 108 LYS HA . . 5.180 3.717 3.483 3.971 . 0 0 "[ . 1 . 2]" 1
1120 1 103 PRO HB2 1 118 ILE MD . . 4.150 3.175 2.958 3.333 . 0 0 "[ . 1 . 2]" 1
1121 1 103 PRO HB3 1 104 ASP H . . 4.070 3.107 2.986 3.488 . 0 0 "[ . 1 . 2]" 1
1122 1 103 PRO HB3 1 107 ALA MB . . 3.630 2.664 2.561 2.751 . 0 0 "[ . 1 . 2]" 1
1123 1 103 PRO HB3 1 118 ILE MD . . 4.070 2.308 1.979 2.801 . 0 0 "[ . 1 . 2]" 1
1124 1 103 PRO QD 1 120 LEU QD . . 3.920 2.383 1.928 3.642 . 0 0 "[ . 1 . 2]" 1
1125 1 103 PRO QD 1 120 LEU HG . . 4.020 2.594 1.913 3.494 . 0 0 "[ . 1 . 2]" 1
1126 1 103 PRO HG2 1 107 ALA MB . . 4.520 4.371 4.191 4.500 . 0 0 "[ . 1 . 2]" 1
1127 1 103 PRO HG2 1 108 LYS HA . . 4.280 3.696 3.204 4.308 0.028 19 0 "[ . 1 . 2]" 1
1128 1 103 PRO HG2 1 108 LYS HB3 . . 4.240 2.444 2.018 2.802 . 0 0 "[ . 1 . 2]" 1
1129 1 103 PRO HG2 1 118 ILE HG12 . . 5.190 5.226 4.911 6.007 0.817 19 1 "[ . 1 . +2]" 1
1130 1 103 PRO HG3 1 104 ASP H . . 4.990 4.978 4.815 5.029 0.039 17 0 "[ . 1 . 2]" 1
1131 1 103 PRO HG3 1 108 LYS HA . . 4.550 4.212 3.650 4.318 . 0 0 "[ . 1 . 2]" 1
1132 1 103 PRO HG3 1 118 ILE MD . . 3.630 1.967 1.870 2.115 . 0 0 "[ . 1 . 2]" 1
1133 1 103 PRO HG3 1 118 ILE MG . . 4.500 4.300 3.942 4.533 0.033 10 0 "[ . 1 . 2]" 1
1134 1 103 PRO HG3 1 120 LEU HG . . 5.500 3.856 2.899 5.156 . 0 0 "[ . 1 . 2]" 1
1135 1 104 ASP H 1 104 ASP HB2 . . 4.030 2.723 2.356 3.711 . 0 0 "[ . 1 . 2]" 1
1136 1 104 ASP H 1 104 ASP QB . . 3.480 2.349 2.157 2.837 . 0 0 "[ . 1 . 2]" 1
1137 1 104 ASP H 1 104 ASP HB3 . . 4.030 2.806 2.260 3.679 . 0 0 "[ . 1 . 2]" 1
1138 1 104 ASP H 1 107 ALA H . . 4.240 3.765 3.417 4.064 . 0 0 "[ . 1 . 2]" 1
1139 1 104 ASP H 1 107 ALA MB . . 3.350 2.194 1.941 2.660 . 0 0 "[ . 1 . 2]" 1
1140 1 104 ASP H 1 108 LYS H . . 4.370 4.048 3.626 4.254 . 0 0 "[ . 1 . 2]" 1
1141 1 104 ASP QB 1 105 ALA H . . 3.840 3.060 2.125 3.573 . 0 0 "[ . 1 . 2]" 1
1142 1 104 ASP QB 1 107 ALA MB . . 4.450 2.330 1.915 3.787 . 0 0 "[ . 1 . 2]" 1
1143 1 104 ASP HB2 1 105 ALA H . . 4.370 3.718 2.139 4.142 . 0 0 "[ . 1 . 2]" 1
1144 1 104 ASP HB3 1 105 ALA H . . 4.370 3.431 2.430 3.952 . 0 0 "[ . 1 . 2]" 1
1145 1 105 ALA H 1 105 ALA MB . . 3.170 2.245 2.216 2.291 . 0 0 "[ . 1 . 2]" 1
1146 1 105 ALA H 1 108 LYS HB3 . . 5.500 5.548 5.520 5.575 0.075 13 0 "[ . 1 . 2]" 1
1147 1 105 ALA HA 1 106 ASN HA . . 5.500 4.612 4.462 4.728 . 0 0 "[ . 1 . 2]" 1
1148 1 105 ALA HA 1 108 LYS H . . 4.060 3.662 3.523 3.857 . 0 0 "[ . 1 . 2]" 1
1149 1 105 ALA HA 1 108 LYS HB2 . . 4.830 4.807 4.677 5.023 0.193 13 0 "[ . 1 . 2]" 1
1150 1 105 ALA HA 1 108 LYS HB3 . . 3.570 3.610 3.572 3.634 0.064 17 0 "[ . 1 . 2]" 1
1151 1 105 ALA HA 1 108 LYS HD2 . . 5.470 3.485 2.265 4.666 . 0 0 "[ . 1 . 2]" 1
1152 1 105 ALA HA 1 108 LYS QD . . 4.780 2.696 2.139 4.092 . 0 0 "[ . 1 . 2]" 1
1153 1 105 ALA HA 1 108 LYS HD3 . . 5.470 3.130 2.212 4.999 . 0 0 "[ . 1 . 2]" 1
1154 1 105 ALA HA 1 108 LYS QG . . 3.830 2.399 2.138 2.833 . 0 0 "[ . 1 . 2]" 1
1155 1 105 ALA HA 1 109 ARG H . . 5.040 4.853 4.622 5.065 0.025 13 0 "[ . 1 . 2]" 1
1156 1 105 ALA MB 1 106 ASN H . . 3.490 2.839 2.565 3.186 . 0 0 "[ . 1 . 2]" 1
1157 1 105 ALA MB 1 106 ASN HA . . 4.090 3.981 3.893 4.090 0.000 8 0 "[ . 1 . 2]" 1
1158 1 106 ASN H 1 106 ASN HB2 . . 3.920 2.660 2.363 3.617 . 0 0 "[ . 1 . 2]" 1
1159 1 106 ASN H 1 106 ASN HB3 . . 3.920 3.243 2.289 3.703 . 0 0 "[ . 1 . 2]" 1
1160 1 106 ASN H 1 107 ALA H . . 3.720 2.323 1.993 2.691 . 0 0 "[ . 1 . 2]" 1
1161 1 106 ASN HA 1 108 LYS QG . . 4.120 3.997 3.667 4.190 0.070 19 0 "[ . 1 . 2]" 1
1162 1 106 ASN HA 1 109 ARG H . . 4.330 3.283 3.144 3.536 . 0 0 "[ . 1 . 2]" 1
1163 1 106 ASN HA 1 109 ARG HB2 . . 3.750 2.529 2.361 2.810 . 0 0 "[ . 1 . 2]" 1
1164 1 106 ASN HA 1 109 ARG QG . . 3.730 2.700 2.574 2.973 . 0 0 "[ . 1 . 2]" 1
1165 1 106 ASN HA 1 110 ALA H . . 4.720 3.955 3.814 4.107 . 0 0 "[ . 1 . 2]" 1
1166 1 106 ASN QB 1 107 ALA MB . . 4.030 3.981 3.717 4.165 0.135 19 0 "[ . 1 . 2]" 1
1167 1 106 ASN QB 1 109 ARG QG . . 4.580 4.513 4.452 4.568 . 0 0 "[ . 1 . 2]" 1
1168 1 106 ASN HB2 1 107 ALA H . . 3.970 3.220 2.584 4.028 0.058 20 0 "[ . 1 . 2]" 1
1169 1 106 ASN HB3 1 107 ALA H . . 3.970 3.493 2.625 3.991 0.021 19 0 "[ . 1 . 2]" 1
1170 1 107 ALA H 1 107 ALA MB . . 3.010 2.253 2.204 2.315 . 0 0 "[ . 1 . 2]" 1
1171 1 107 ALA H 1 108 LYS H . . 3.520 2.696 2.503 2.936 . 0 0 "[ . 1 . 2]" 1
1172 1 107 ALA H 1 110 ALA MB . . 4.930 4.395 4.265 4.582 . 0 0 "[ . 1 . 2]" 1
1173 1 107 ALA HA 1 109 ARG H . . 4.410 3.966 3.763 4.134 . 0 0 "[ . 1 . 2]" 1
1174 1 107 ALA HA 1 110 ALA H . . 3.770 3.187 2.932 3.325 . 0 0 "[ . 1 . 2]" 1
1175 1 107 ALA HA 1 110 ALA MB . . 3.490 2.245 2.094 2.442 . 0 0 "[ . 1 . 2]" 1
1176 1 107 ALA HA 1 111 ALA H . . 4.550 3.683 3.555 3.882 . 0 0 "[ . 1 . 2]" 1
1177 1 107 ALA MB 1 108 LYS H . . 3.490 2.471 2.336 2.736 . 0 0 "[ . 1 . 2]" 1
1178 1 107 ALA MB 1 108 LYS HB3 . . 4.220 3.941 3.777 4.237 0.017 19 0 "[ . 1 . 2]" 1
1179 1 108 LYS H 1 108 LYS HB2 . . 3.580 3.581 3.553 3.615 0.035 19 0 "[ . 1 . 2]" 1
1180 1 108 LYS H 1 108 LYS HB3 . . 3.120 2.298 2.205 2.366 . 0 0 "[ . 1 . 2]" 1
1181 1 108 LYS H 1 108 LYS HG2 . . 3.990 2.652 2.355 3.737 . 0 0 "[ . 1 . 2]" 1
1182 1 108 LYS H 1 108 LYS QG . . 3.390 2.504 2.325 2.727 . 0 0 "[ . 1 . 2]" 1
1183 1 108 LYS H 1 108 LYS HG3 . . 3.990 3.582 2.579 3.879 . 0 0 "[ . 1 . 2]" 1
1184 1 108 LYS H 1 109 ARG H . . 3.500 2.863 2.767 2.966 . 0 0 "[ . 1 . 2]" 1
1185 1 108 LYS H 1 109 ARG QG . . 4.530 4.289 4.072 4.434 . 0 0 "[ . 1 . 2]" 1
1186 1 108 LYS H 1 111 ALA H . . 5.070 4.805 4.717 4.923 . 0 0 "[ . 1 . 2]" 1
1187 1 108 LYS HA 1 108 LYS QG . . 3.680 3.380 3.320 3.575 . 0 0 "[ . 1 . 2]" 1
1188 1 108 LYS HA 1 111 ALA H . . 4.520 3.800 3.565 4.134 . 0 0 "[ . 1 . 2]" 1
1189 1 108 LYS HA 1 111 ALA MB . . 3.380 2.924 2.680 3.366 . 0 0 "[ . 1 . 2]" 1
1190 1 108 LYS HA 1 118 ILE H . . 5.500 5.554 5.479 5.673 0.173 16 0 "[ . 1 . 2]" 1
1191 1 108 LYS HA 1 118 ILE MD . . 4.320 2.070 1.830 2.481 . 0 0 "[ . 1 . 2]" 1
1192 1 108 LYS HB2 1 109 ARG H . . 4.190 4.298 4.140 4.405 0.215 13 0 "[ . 1 . 2]" 1
1193 1 108 LYS HB3 1 108 LYS QD . . 3.670 2.615 2.274 3.566 . 0 0 "[ . 1 . 2]" 1
1194 1 108 LYS HB3 1 109 ARG H . . 4.080 4.089 3.973 4.128 0.048 15 0 "[ . 1 . 2]" 1
1195 1 108 LYS QG 1 109 ARG H . . 3.540 2.612 2.414 2.741 . 0 0 "[ . 1 . 2]" 1
1196 1 108 LYS QG 1 109 ARG HA . . 4.140 3.457 3.094 4.147 0.007 1 0 "[ . 1 . 2]" 1
1197 1 108 LYS QG 1 109 ARG HB2 . . 5.110 3.738 3.471 3.990 . 0 0 "[ . 1 . 2]" 1
1198 1 108 LYS QG 1 109 ARG QG . . 3.160 2.568 2.268 2.865 . 0 0 "[ . 1 . 2]" 1
1199 1 108 LYS HG2 1 109 ARG H . . 4.040 3.022 2.727 4.388 0.348 1 0 "[ . 1 . 2]" 1
1200 1 108 LYS HG3 1 109 ARG H . . 4.040 2.980 2.648 3.435 . 0 0 "[ . 1 . 2]" 1
1201 1 109 ARG H 1 109 ARG HB2 . . 2.730 1.757 1.693 1.831 . 0 0 "[ . 1 . 2]" 1
1202 1 109 ARG H 1 109 ARG HD2 . . 5.380 4.515 3.798 4.833 . 0 0 "[ . 1 . 2]" 1
1203 1 109 ARG H 1 109 ARG QD . . 4.600 3.893 3.613 4.320 . 0 0 "[ . 1 . 2]" 1
1204 1 109 ARG H 1 109 ARG HD3 . . 5.380 4.376 3.820 4.946 . 0 0 "[ . 1 . 2]" 1
1205 1 109 ARG H 1 109 ARG QG . . 3.980 2.379 2.227 2.526 . 0 0 "[ . 1 . 2]" 1
1206 1 109 ARG H 1 110 ALA H . . 3.270 2.265 2.081 2.381 . 0 0 "[ . 1 . 2]" 1
1207 1 109 ARG H 1 112 GLU H . . 5.110 4.928 4.807 4.996 . 0 0 "[ . 1 . 2]" 1
1208 1 109 ARG H 1 112 GLU QB . . 5.340 5.420 5.274 5.521 0.181 15 0 "[ . 1 . 2]" 1
1209 1 109 ARG HA 1 109 ARG HD2 . . 5.100 4.471 3.939 4.779 . 0 0 "[ . 1 . 2]" 1
1210 1 109 ARG HA 1 109 ARG QD . . 4.330 3.988 3.718 4.203 . 0 0 "[ . 1 . 2]" 1
1211 1 109 ARG HA 1 109 ARG HD3 . . 5.100 4.552 4.145 4.895 . 0 0 "[ . 1 . 2]" 1
1212 1 109 ARG HA 1 109 ARG QG . . 3.500 2.382 2.310 2.494 . 0 0 "[ . 1 . 2]" 1
1213 1 109 ARG HA 1 112 GLU QB . . 3.590 3.518 3.306 3.651 0.061 5 0 "[ . 1 . 2]" 1
1214 1 109 ARG HA 1 113 SER H . . 4.960 4.624 4.438 4.965 0.005 18 0 "[ . 1 . 2]" 1
1215 1 109 ARG HB2 1 110 ALA H . . 3.040 2.070 1.885 2.176 . 0 0 "[ . 1 . 2]" 1
1216 1 109 ARG HB2 1 110 ALA HA . . 4.120 4.210 4.083 4.318 0.198 5 0 "[ . 1 . 2]" 1
1217 1 109 ARG HB2 1 110 ALA MB . . 4.140 3.660 3.502 3.768 . 0 0 "[ . 1 . 2]" 1
1218 1 109 ARG HB2 1 111 ALA H . . 5.180 4.608 4.488 4.709 . 0 0 "[ . 1 . 2]" 1
1219 1 109 ARG HB3 1 109 ARG HD2 . . 4.160 3.042 2.383 3.705 . 0 0 "[ . 1 . 2]" 1
1220 1 109 ARG HB3 1 109 ARG QD . . 3.510 2.562 2.252 2.932 . 0 0 "[ . 1 . 2]" 1
1221 1 109 ARG HB3 1 109 ARG HD3 . . 4.160 3.050 2.326 3.666 . 0 0 "[ . 1 . 2]" 1
1222 1 109 ARG QG 1 110 ALA H . . 4.330 3.849 3.739 3.939 . 0 0 "[ . 1 . 2]" 1
1223 1 110 ALA H 1 110 ALA MB . . 2.840 2.189 2.155 2.221 . 0 0 "[ . 1 . 2]" 1
1224 1 110 ALA H 1 111 ALA H . . 3.520 2.764 2.705 2.839 . 0 0 "[ . 1 . 2]" 1
1225 1 110 ALA H 1 112 GLU QB . . 5.340 5.339 5.198 5.392 0.052 10 0 "[ . 1 . 2]" 1
1226 1 110 ALA H 1 113 SER H . . 4.820 4.814 4.712 4.874 0.054 18 0 "[ . 1 . 2]" 1
1227 1 110 ALA HA 1 112 GLU H . . 4.700 4.308 4.060 4.491 . 0 0 "[ . 1 . 2]" 1
1228 1 110 ALA HA 1 113 SER H . . 4.340 3.470 3.344 3.613 . 0 0 "[ . 1 . 2]" 1
1229 1 110 ALA HA 1 113 SER HB2 . . 4.250 4.043 3.817 4.371 0.121 6 0 "[ . 1 . 2]" 1
1230 1 110 ALA HA 1 113 SER HB3 . . 3.320 2.709 2.472 2.923 . 0 0 "[ . 1 . 2]" 1
1231 1 110 ALA HA 1 114 GLU H . . 4.680 4.642 4.523 4.718 0.038 16 0 "[ . 1 . 2]" 1
1232 1 110 ALA HA 1 114 GLU HG3 . . 3.900 3.808 3.577 3.949 0.049 18 0 "[ . 1 . 2]" 1
1233 1 110 ALA MB 1 113 SER H . . 5.500 4.547 4.449 4.654 . 0 0 "[ . 1 . 2]" 1
1234 1 110 ALA MB 1 114 GLU H . . 5.230 5.018 4.879 5.115 . 0 0 "[ . 1 . 2]" 1
1235 1 111 ALA H 1 111 ALA MB . . 2.960 2.226 2.107 2.268 . 0 0 "[ . 1 . 2]" 1
1236 1 111 ALA H 1 112 GLU H . . 3.590 2.831 2.756 2.974 . 0 0 "[ . 1 . 2]" 1
1237 1 111 ALA HA 1 114 GLU H . . 3.940 3.826 3.577 3.945 0.005 1 0 "[ . 1 . 2]" 1
1238 1 111 ALA HA 1 114 GLU HB2 . . 4.470 2.657 2.205 2.872 . 0 0 "[ . 1 . 2]" 1
1239 1 111 ALA HA 1 114 GLU HB3 . . 4.740 3.683 3.312 3.945 . 0 0 "[ . 1 . 2]" 1
1240 1 111 ALA HA 1 116 VAL H . . 4.200 3.753 3.628 3.900 . 0 0 "[ . 1 . 2]" 1
1241 1 111 ALA HA 1 116 VAL HB . . 5.500 4.715 4.480 5.190 . 0 0 "[ . 1 . 2]" 1
1242 1 111 ALA HA 1 116 VAL MG2 . . 3.900 2.241 2.077 2.650 . 0 0 "[ . 1 . 2]" 1
1243 1 111 ALA MB 1 112 GLU H . . 3.290 2.370 2.198 2.551 . 0 0 "[ . 1 . 2]" 1
1244 1 111 ALA MB 1 112 GLU HA . . 4.310 3.569 3.495 3.621 . 0 0 "[ . 1 . 2]" 1
1245 1 111 ALA MB 1 112 GLU QB . . 4.230 3.593 3.086 4.048 . 0 0 "[ . 1 . 2]" 1
1246 1 111 ALA MB 1 112 GLU QG . . 4.510 3.230 2.464 4.567 0.057 16 0 "[ . 1 . 2]" 1
1247 1 111 ALA MB 1 113 SER H . . 5.450 4.315 4.156 4.479 . 0 0 "[ . 1 . 2]" 1
1248 1 111 ALA MB 1 114 GLU H . . 5.500 4.488 4.372 4.589 . 0 0 "[ . 1 . 2]" 1
1249 1 111 ALA MB 1 114 GLU HB2 . . 5.500 4.168 3.808 4.343 . 0 0 "[ . 1 . 2]" 1
1250 1 111 ALA MB 1 116 VAL H . . 4.320 3.984 3.854 4.119 . 0 0 "[ . 1 . 2]" 1
1251 1 111 ALA MB 1 118 ILE H . . 4.440 3.196 2.908 3.414 . 0 0 "[ . 1 . 2]" 1
1252 1 111 ALA MB 1 118 ILE MD . . 2.980 2.327 2.045 2.570 . 0 0 "[ . 1 . 2]" 1
1253 1 111 ALA MB 1 118 ILE MG . . 3.030 2.290 2.051 2.532 . 0 0 "[ . 1 . 2]" 1
1254 1 112 GLU H 1 112 GLU HB2 . . 3.570 2.230 2.126 2.375 . 0 0 "[ . 1 . 2]" 1
1255 1 112 GLU H 1 112 GLU QB . . 3.120 2.169 2.064 2.337 . 0 0 "[ . 1 . 2]" 1
1256 1 112 GLU H 1 112 GLU HB3 . . 3.570 3.240 2.423 3.575 0.005 20 0 "[ . 1 . 2]" 1
1257 1 112 GLU H 1 112 GLU QG . . 3.680 2.939 2.348 3.816 0.136 6 0 "[ . 1 . 2]" 1
1258 1 112 GLU H 1 113 SER H . . 3.360 2.394 2.318 2.512 . 0 0 "[ . 1 . 2]" 1
1259 1 112 GLU H 1 114 GLU H . . 4.340 3.597 3.396 3.706 . 0 0 "[ . 1 . 2]" 1
1260 1 112 GLU H 1 115 LYS H . . 5.380 5.138 4.998 5.281 . 0 0 "[ . 1 . 2]" 1
1261 1 112 GLU H 1 118 ILE MD . . 5.240 5.093 4.782 5.258 0.018 11 0 "[ . 1 . 2]" 1
1262 1 112 GLU HA 1 112 GLU HG2 . . 3.680 2.533 2.318 2.947 . 0 0 "[ . 1 . 2]" 1
1263 1 112 GLU HA 1 112 GLU HG3 . . 3.680 3.243 2.468 3.731 0.051 17 0 "[ . 1 . 2]" 1
1264 1 112 GLU HA 1 114 GLU H . . 4.260 3.260 3.143 3.388 . 0 0 "[ . 1 . 2]" 1
1265 1 112 GLU HA 1 114 GLU HB2 . . 5.500 4.738 4.601 4.878 . 0 0 "[ . 1 . 2]" 1
1266 1 112 GLU HA 1 115 LYS H . . 4.090 3.428 3.225 3.740 . 0 0 "[ . 1 . 2]" 1
1267 1 112 GLU HA 1 115 LYS HA . . 5.010 4.196 3.929 4.652 . 0 0 "[ . 1 . 2]" 1
1268 1 112 GLU QB 1 113 SER H . . 3.300 2.760 2.581 2.893 . 0 0 "[ . 1 . 2]" 1
1269 1 112 GLU QB 1 113 SER HA . . 4.100 4.071 3.953 4.178 0.078 16 0 "[ . 1 . 2]" 1
1270 1 112 GLU QB 1 113 SER HB2 . . 4.620 4.095 3.919 4.252 . 0 0 "[ . 1 . 2]" 1
1271 1 112 GLU HB2 1 113 SER H . . 3.780 3.147 2.639 3.907 0.127 16 0 "[ . 1 . 2]" 1
1272 1 112 GLU HB3 1 113 SER H . . 3.780 3.417 2.641 3.796 0.016 2 0 "[ . 1 . 2]" 1
1273 1 113 SER H 1 113 SER HB2 . . 3.580 2.646 2.537 2.805 . 0 0 "[ . 1 . 2]" 1
1274 1 113 SER H 1 113 SER HB3 . . 3.330 2.382 2.256 2.462 . 0 0 "[ . 1 . 2]" 1
1275 1 113 SER H 1 114 GLU H . . 3.690 2.387 2.247 2.506 . 0 0 "[ . 1 . 2]" 1
1276 1 113 SER H 1 114 GLU HG3 . . 4.420 4.239 3.970 4.432 0.012 6 0 "[ . 1 . 2]" 1
1277 1 113 SER H 1 115 LYS H . . 4.440 4.152 4.034 4.260 . 0 0 "[ . 1 . 2]" 1
1278 1 113 SER HA 1 115 LYS H . . 4.300 3.649 3.443 3.782 . 0 0 "[ . 1 . 2]" 1
1279 1 113 SER HA 1 115 LYS HA . . 5.500 5.363 5.119 5.506 0.006 19 0 "[ . 1 . 2]" 1
1280 1 113 SER HA 1 115 LYS QG . . 4.730 4.793 4.689 4.873 0.143 16 0 "[ . 1 . 2]" 1
1281 1 113 SER HB2 1 114 GLU H . . 4.840 4.293 4.210 4.395 . 0 0 "[ . 1 . 2]" 1
1282 1 113 SER HB3 1 114 GLU H . . 3.840 3.533 3.303 3.657 . 0 0 "[ . 1 . 2]" 1
1283 1 113 SER HB3 1 114 GLU HA . . 4.860 4.786 4.588 4.872 0.012 3 0 "[ . 1 . 2]" 1
1284 1 113 SER HB3 1 114 GLU HG3 . . 4.260 3.582 3.290 3.824 . 0 0 "[ . 1 . 2]" 1
1285 1 114 GLU H 1 114 GLU HB2 . . 3.810 2.232 2.148 2.300 . 0 0 "[ . 1 . 2]" 1
1286 1 114 GLU H 1 114 GLU HB3 . . 3.920 3.408 3.256 3.456 . 0 0 "[ . 1 . 2]" 1
1287 1 114 GLU H 1 114 GLU HG2 . . 4.120 4.180 3.853 4.358 0.238 6 0 "[ . 1 . 2]" 1
1288 1 114 GLU H 1 114 GLU HG3 . . 3.350 3.158 2.921 3.315 . 0 0 "[ . 1 . 2]" 1
1289 1 114 GLU H 1 115 LYS H . . 3.640 2.202 2.136 2.349 . 0 0 "[ . 1 . 2]" 1
1290 1 114 GLU H 1 115 LYS HA . . 5.170 4.317 4.217 4.556 . 0 0 "[ . 1 . 2]" 1
1291 1 114 GLU H 1 115 LYS QG . . 4.490 4.535 4.499 4.566 0.076 15 0 "[ . 1 . 2]" 1
1292 1 114 GLU H 1 116 VAL H . . 3.870 3.299 3.100 3.625 . 0 0 "[ . 1 . 2]" 1
1293 1 114 GLU HA 1 114 GLU HG2 . . 3.870 2.192 2.142 2.289 . 0 0 "[ . 1 . 2]" 1
1294 1 114 GLU HA 1 114 GLU HG3 . . 3.800 2.577 2.339 2.880 . 0 0 "[ . 1 . 2]" 1
1295 1 114 GLU HA 1 115 LYS QG . . 3.770 3.714 3.357 3.859 0.089 20 0 "[ . 1 . 2]" 1
1296 1 114 GLU HA 1 116 VAL H . . 4.390 4.404 4.313 4.462 0.072 13 0 "[ . 1 . 2]" 1
1297 1 114 GLU HA 1 116 VAL MG2 . . 4.310 4.140 4.049 4.206 . 0 0 "[ . 1 . 2]" 1
1298 1 114 GLU HB2 1 115 LYS H . . 4.990 3.751 3.609 3.829 . 0 0 "[ . 1 . 2]" 1
1299 1 114 GLU HB2 1 116 VAL MG2 . . 3.950 2.739 2.577 3.068 . 0 0 "[ . 1 . 2]" 1
1300 1 114 GLU HB3 1 115 LYS HB2 . . 5.500 4.167 4.045 4.249 . 0 0 "[ . 1 . 2]" 1
1301 1 114 GLU HB3 1 116 VAL H . . 4.610 3.408 3.008 3.559 . 0 0 "[ . 1 . 2]" 1
1302 1 114 GLU HB3 1 116 VAL MG1 . . 3.880 3.670 3.515 3.892 0.012 1 0 "[ . 1 . 2]" 1
1303 1 114 GLU HB3 1 116 VAL MG2 . . 4.020 2.162 1.977 2.293 . 0 0 "[ . 1 . 2]" 1
1304 1 114 GLU HG2 1 116 VAL H . . 5.270 5.673 5.380 5.750 0.480 11 0 "[ . 1 . 2]" 1
1305 1 114 GLU HG3 1 115 LYS H . . 4.750 4.764 4.691 4.827 0.077 3 0 "[ . 1 . 2]" 1
1306 1 114 GLU HG3 1 116 VAL MG2 . . 4.370 4.436 4.327 4.503 0.133 12 0 "[ . 1 . 2]" 1
1307 1 115 LYS H 1 115 LYS HB2 . . 3.750 3.161 3.062 3.269 . 0 0 "[ . 1 . 2]" 1
1308 1 115 LYS H 1 115 LYS HB3 . . 4.120 3.974 3.958 4.001 . 0 0 "[ . 1 . 2]" 1
1309 1 115 LYS H 1 115 LYS HD2 . . 5.500 4.887 3.390 5.448 . 0 0 "[ . 1 . 2]" 1
1310 1 115 LYS H 1 115 LYS HD3 . . 5.500 4.757 3.545 5.468 . 0 0 "[ . 1 . 2]" 1
1311 1 115 LYS H 1 115 LYS QG . . 3.690 2.768 2.686 2.860 . 0 0 "[ . 1 . 2]" 1
1312 1 115 LYS H 1 116 VAL H . . 3.520 2.774 2.674 2.856 . 0 0 "[ . 1 . 2]" 1
1313 1 115 LYS H 1 116 VAL MG1 . . 5.500 4.850 4.708 4.965 . 0 0 "[ . 1 . 2]" 1
1314 1 115 LYS H 1 116 VAL MG2 . . 4.500 4.026 3.925 4.090 . 0 0 "[ . 1 . 2]" 1
1315 1 115 LYS HA 1 115 LYS HD2 . . 5.280 3.961 1.980 4.699 . 0 0 "[ . 1 . 2]" 1
1316 1 115 LYS HA 1 115 LYS QD . . 4.620 3.301 1.937 4.118 . 0 0 "[ . 1 . 2]" 1
1317 1 115 LYS HA 1 115 LYS HD3 . . 5.280 3.743 1.958 4.777 . 0 0 "[ . 1 . 2]" 1
1318 1 115 LYS HA 1 115 LYS HG2 . . 4.200 2.527 2.338 2.814 . 0 0 "[ . 1 . 2]" 1
1319 1 115 LYS HA 1 115 LYS QG . . 3.500 2.405 2.213 2.726 . 0 0 "[ . 1 . 2]" 1
1320 1 115 LYS HA 1 115 LYS HG3 . . 4.200 3.084 2.676 3.675 . 0 0 "[ . 1 . 2]" 1
1321 1 115 LYS HA 1 116 VAL H . . 3.270 3.197 3.101 3.272 0.002 3 0 "[ . 1 . 2]" 1
1322 1 115 LYS HA 1 116 VAL HA . . 4.510 4.412 4.312 4.463 . 0 0 "[ . 1 . 2]" 1
1323 1 115 LYS HA 1 116 VAL MG2 . . 4.690 4.673 4.573 4.721 0.031 8 0 "[ . 1 . 2]" 1
1324 1 115 LYS HB2 1 115 LYS QD . . 3.690 2.772 2.324 3.504 . 0 0 "[ . 1 . 2]" 1
1325 1 115 LYS HB2 1 116 VAL H . . 4.200 3.715 3.594 3.854 . 0 0 "[ . 1 . 2]" 1
1326 1 115 LYS HB3 1 115 LYS HE2 . . 5.410 3.933 1.969 4.947 . 0 0 "[ . 1 . 2]" 1
1327 1 115 LYS HB3 1 115 LYS QE . . 4.660 3.379 1.949 4.335 . 0 0 "[ . 1 . 2]" 1
1328 1 115 LYS HB3 1 115 LYS HE3 . . 5.410 3.938 2.160 4.793 . 0 0 "[ . 1 . 2]" 1
1329 1 115 LYS HB3 1 116 VAL H . . 4.670 4.162 4.099 4.236 . 0 0 "[ . 1 . 2]" 1
1330 1 115 LYS HB3 1 116 VAL MG1 . . 5.170 3.674 3.599 3.814 . 0 0 "[ . 1 . 2]" 1
1331 1 116 VAL H 1 116 VAL HB . . 3.780 3.749 3.718 3.780 . 0 0 "[ . 1 . 2]" 1
1332 1 116 VAL H 1 116 VAL MG1 . . 4.560 3.077 3.001 3.199 . 0 0 "[ . 1 . 2]" 1
1333 1 116 VAL H 1 116 VAL MG2 . . 3.460 2.067 1.995 2.121 . 0 0 "[ . 1 . 2]" 1
1334 1 116 VAL H 1 117 ASP HA . . 4.770 4.801 4.640 4.883 0.113 13 0 "[ . 1 . 2]" 1
1335 1 116 VAL HA 1 116 VAL MG1 . . 3.150 2.215 2.173 2.263 . 0 0 "[ . 1 . 2]" 1
1336 1 116 VAL HA 1 116 VAL MG2 . . 3.200 3.184 3.156 3.202 0.002 18 0 "[ . 1 . 2]" 1
1337 1 116 VAL HA 1 117 ASP H . . 3.540 2.245 2.035 2.523 . 0 0 "[ . 1 . 2]" 1
1338 1 116 VAL HA 1 117 ASP QB . . 4.930 4.122 3.835 4.502 . 0 0 "[ . 1 . 2]" 1
1339 1 116 VAL HB 1 117 ASP H . . 4.370 2.776 2.011 3.644 . 0 0 "[ . 1 . 2]" 1
1340 1 116 VAL MG2 1 117 ASP H . . 4.470 3.881 3.439 4.357 . 0 0 "[ . 1 . 2]" 1
1341 1 116 VAL MG2 1 117 ASP HA . . 4.540 4.246 3.884 4.522 . 0 0 "[ . 1 . 2]" 1
1342 1 117 ASP H 1 117 ASP HB2 . . 4.120 3.038 2.371 3.899 . 0 0 "[ . 1 . 2]" 1
1343 1 117 ASP H 1 117 ASP HB3 . . 4.120 3.049 2.346 3.709 . 0 0 "[ . 1 . 2]" 1
1344 1 117 ASP H 1 118 ILE H . . 4.780 4.356 4.242 4.438 . 0 0 "[ . 1 . 2]" 1
1345 1 117 ASP HA 1 118 ILE H . . 2.860 2.164 2.080 2.250 . 0 0 "[ . 1 . 2]" 1
1346 1 117 ASP HA 1 118 ILE HG12 . . 4.910 3.558 3.248 3.812 . 0 0 "[ . 1 . 2]" 1
1347 1 117 ASP HB2 1 118 ILE H . . 4.470 3.846 2.760 4.348 . 0 0 "[ . 1 . 2]" 1
1348 1 117 ASP HB3 1 118 ILE H . . 4.470 3.797 2.894 4.346 . 0 0 "[ . 1 . 2]" 1
1349 1 118 ILE H 1 118 ILE HB . . 3.890 3.611 3.563 3.665 . 0 0 "[ . 1 . 2]" 1
1350 1 118 ILE H 1 118 ILE MD . . 3.560 3.524 3.445 3.607 0.047 20 0 "[ . 1 . 2]" 1
1351 1 118 ILE H 1 118 ILE HG12 . . 4.140 1.817 1.723 1.933 . 0 0 "[ . 1 . 2]" 1
1352 1 118 ILE H 1 118 ILE MG . . 3.910 2.769 2.622 2.963 . 0 0 "[ . 1 . 2]" 1
1353 1 118 ILE HA 1 118 ILE MD . . 4.150 4.168 4.149 4.183 0.033 9 0 "[ . 1 . 2]" 1
1354 1 118 ILE HA 1 118 ILE MG . . 3.420 2.273 2.164 2.364 . 0 0 "[ . 1 . 2]" 1
1355 1 118 ILE HA 1 119 ARG H . . 3.170 2.169 2.074 2.256 . 0 0 "[ . 1 . 2]" 1
1356 1 118 ILE HB 1 118 ILE MD . . 3.220 2.466 2.395 2.515 . 0 0 "[ . 1 . 2]" 1
1357 1 118 ILE HB 1 118 ILE HG13 . . 2.740 2.437 2.406 2.465 . 0 0 "[ . 1 . 2]" 1
1358 1 118 ILE HB 1 119 ARG H . . 4.010 3.112 2.842 3.430 . 0 0 "[ . 1 . 2]" 1
1359 1 118 ILE MD 1 118 ILE MG . . 2.840 1.912 1.786 2.008 . 0 0 "[ . 1 . 2]" 1
1360 1 118 ILE HG12 1 118 ILE MG . . 3.250 2.461 2.376 2.543 . 0 0 "[ . 1 . 2]" 1
1361 1 118 ILE MG 1 119 ARG H . . 3.920 3.746 3.589 3.932 0.012 5 0 "[ . 1 . 2]" 1
1362 1 119 ARG H 1 119 ARG QB . . 3.610 2.634 2.312 3.236 . 0 0 "[ . 1 . 2]" 1
1363 1 119 ARG H 1 119 ARG QG . . 4.570 3.232 2.132 4.181 . 0 0 "[ . 1 . 2]" 1
1364 1 120 LEU H 1 120 LEU HB2 . . 3.980 3.375 2.476 3.975 . 0 0 "[ . 1 . 2]" 1
1365 1 120 LEU H 1 120 LEU QB . . 3.410 2.991 2.439 3.402 . 0 0 "[ . 1 . 2]" 1
1366 1 120 LEU H 1 120 LEU HB3 . . 3.980 3.581 2.851 3.727 . 0 0 "[ . 1 . 2]" 1
1367 1 120 LEU H 1 120 LEU MD1 . . 4.490 2.855 1.861 4.235 . 0 0 "[ . 1 . 2]" 1
1368 1 120 LEU H 1 120 LEU QD . . 3.860 2.335 1.792 3.765 . 0 0 "[ . 1 . 2]" 1
1369 1 120 LEU H 1 120 LEU MD2 . . 4.490 2.663 2.256 4.218 . 0 0 "[ . 1 . 2]" 1
1370 1 120 LEU H 1 120 LEU HG . . 4.970 4.421 4.017 5.006 0.036 13 0 "[ . 1 . 2]" 1
1371 1 120 LEU HA 1 120 LEU MD1 . . 4.140 2.944 1.920 3.578 . 0 0 "[ . 1 . 2]" 1
1372 1 120 LEU HA 1 120 LEU QD . . 3.540 2.683 1.895 3.212 . 0 0 "[ . 1 . 2]" 1
1373 1 120 LEU HA 1 120 LEU MD2 . . 4.140 3.331 1.976 3.658 . 0 0 "[ . 1 . 2]" 1
1374 1 120 LEU HA 1 121 HIS H . . 3.300 2.205 1.998 2.466 . 0 0 "[ . 1 . 2]" 1
1375 1 120 LEU QD 1 121 HIS H . . 3.850 3.326 2.109 3.870 0.020 9 0 "[ . 1 . 2]" 1
1376 1 120 LEU QD 1 121 HIS HA . . 4.770 4.446 3.000 4.904 0.134 16 0 "[ . 1 . 2]" 1
1377 1 120 LEU QD 1 121 HIS QB . . 4.250 3.278 1.984 4.303 0.053 12 0 "[ . 1 . 2]" 1
1378 1 121 HIS H 1 121 HIS QB . . 3.570 2.841 2.201 3.073 . 0 0 "[ . 1 . 2]" 1
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