NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405485 |
1x5q   |
11207 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5q
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 1582
_Distance_constraint_stats_list.Viol_count 2026
_Distance_constraint_stats_list.Viol_total 2775.779
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0348
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0685
_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 8 GLU 0.273 0.089 6 0 "[ . 1 . 2]"
1 9 PRO 0.223 0.089 6 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.343 0.133 15 0 "[ . 1 . 2]"
1 12 ILE 1.178 0.531 18 1 "[ . 1 . + 2]"
1 13 GLU 2.270 0.351 4 0 "[ . 1 . 2]"
1 14 GLU 10.997 0.488 13 0 "[ . 1 . 2]"
1 15 GLU 22.091 0.997 13 20 [************+-******]
1 16 GLU 5.007 0.215 13 0 "[ . 1 . 2]"
1 17 LEU 3.443 0.148 18 0 "[ . 1 . 2]"
1 18 THR 1.512 0.138 13 0 "[ . 1 . 2]"
1 19 LEU 4.151 0.238 18 0 "[ . 1 . 2]"
1 20 THR 5.094 0.238 11 0 "[ . 1 . 2]"
1 21 ILE 1.864 0.093 7 0 "[ . 1 . 2]"
1 22 LEU 1.271 0.138 13 0 "[ . 1 . 2]"
1 23 ARG 2.352 0.496 7 0 "[ . 1 . 2]"
1 24 GLN 0.006 0.004 17 0 "[ . 1 . 2]"
1 25 THR 0.460 0.057 2 0 "[ . 1 . 2]"
1 27 GLY 1.337 0.256 1 0 "[ . 1 . 2]"
1 28 LEU 3.850 0.782 7 2 "[ . + 1 - . 2]"
1 29 GLY 3.071 0.207 8 0 "[ . 1 . 2]"
1 30 ILE 2.255 0.782 7 2 "[ . + 1 - . 2]"
1 31 SER 1.362 0.346 13 0 "[ . 1 . 2]"
1 32 ILE 0.376 0.212 13 0 "[ . 1 . 2]"
1 33 ALA 2.606 0.260 11 0 "[ . 1 . 2]"
1 34 GLY 0.010 0.010 11 0 "[ . 1 . 2]"
1 35 GLY 3.044 0.604 19 2 "[ . 1 - . +2]"
1 36 LYS 1.670 0.231 13 0 "[ . 1 . 2]"
1 37 GLY 0.150 0.090 4 0 "[ . 1 . 2]"
1 38 SER 3.879 0.604 19 2 "[ . 1 - . +2]"
1 39 THR 0.428 0.053 11 0 "[ . 1 . 2]"
1 40 PRO 1.233 0.130 17 0 "[ . 1 . 2]"
1 41 TYR 1.336 0.250 11 0 "[ . 1 . 2]"
1 42 LYS 1.884 0.381 16 0 "[ . 1 . 2]"
1 43 GLY 2.513 0.283 10 0 "[ . 1 . 2]"
1 44 ASP 0.662 0.130 17 0 "[ . 1 . 2]"
1 45 ASP 5.028 0.283 10 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.047 0.014 16 0 "[ . 1 . 2]"
1 48 ILE 0.062 0.021 12 0 "[ . 1 . 2]"
1 49 PHE 6.576 0.381 16 0 "[ . 1 . 2]"
1 50 ILE 5.194 0.798 19 2 "[ . 1 -. +2]"
1 51 SER 0.131 0.043 19 0 "[ . 1 . 2]"
1 52 ARG 2.236 0.375 19 0 "[ . 1 . 2]"
1 53 VAL 3.419 0.358 19 0 "[ . 1 . 2]"
1 54 SER 3.903 0.358 19 0 "[ . 1 . 2]"
1 55 GLU 0.004 0.004 12 0 "[ . 1 . 2]"
1 56 GLU 0.129 0.086 7 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PRO 1.255 0.380 6 0 "[ . 1 . 2]"
1 59 ALA 3.471 0.207 8 0 "[ . 1 . 2]"
1 60 ALA 0.299 0.031 7 0 "[ . 1 . 2]"
1 61 ARG 3.720 0.656 6 1 "[ .+ 1 . 2]"
1 62 ALA 2.249 0.277 15 0 "[ . 1 . 2]"
1 63 GLY 0.578 0.123 15 0 "[ . 1 . 2]"
1 64 VAL 0.344 0.033 6 0 "[ . 1 . 2]"
1 65 ARG 9.285 0.851 11 9 "[*** . *-+ .** *2]"
1 66 VAL 1.707 0.085 20 0 "[ . 1 . 2]"
1 67 GLY 1.027 0.132 19 0 "[ . 1 . 2]"
1 68 ASP 8.840 0.875 14 2 "[ . 1 +. *2]"
1 69 LYS 1.982 0.313 19 0 "[ . 1 . 2]"
1 70 LEU 1.339 0.186 14 0 "[ . 1 . 2]"
1 71 LEU 2.272 0.095 14 0 "[ . 1 . 2]"
1 72 GLU 3.839 0.465 17 0 "[ . 1 . 2]"
1 73 VAL 1.794 0.109 20 0 "[ . 1 . 2]"
1 74 ASN 1.902 0.209 13 0 "[ . 1 . 2]"
1 75 GLY 2.345 0.465 17 0 "[ . 1 . 2]"
1 76 VAL 2.721 0.110 6 0 "[ . 1 . 2]"
1 77 ALA 2.368 0.110 6 0 "[ . 1 . 2]"
1 78 LEU 1.348 0.077 18 0 "[ . 1 . 2]"
1 79 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 1.893 0.180 1 0 "[ . 1 . 2]"
1 81 ALA 1.712 0.180 1 0 "[ . 1 . 2]"
1 82 GLU 0.582 0.201 12 0 "[ . 1 . 2]"
1 83 HIS 0.219 0.201 12 0 "[ . 1 . 2]"
1 84 HIS 0.014 0.007 6 0 "[ . 1 . 2]"
1 85 GLU 0.158 0.024 5 0 "[ . 1 . 2]"
1 86 ALA 0.297 0.024 5 0 "[ . 1 . 2]"
1 87 VAL 0.233 0.025 6 0 "[ . 1 . 2]"
1 88 GLU 0.429 0.030 16 0 "[ . 1 . 2]"
1 89 ALA 0.324 0.030 16 0 "[ . 1 . 2]"
1 90 LEU 0.167 0.020 14 0 "[ . 1 . 2]"
1 91 ARG 3.059 0.286 18 0 "[ . 1 . 2]"
1 92 GLY 0.481 0.094 15 0 "[ . 1 . 2]"
1 93 ALA 3.268 0.336 15 0 "[ . 1 . 2]"
1 94 GLY 2.891 0.336 15 0 "[ . 1 . 2]"
1 95 THR 1.846 0.496 7 0 "[ . 1 . 2]"
1 96 ALA 0.889 0.123 16 0 "[ . 1 . 2]"
1 97 VAL 1.330 0.075 7 0 "[ . 1 . 2]"
1 98 GLN 8.623 0.384 13 0 "[ . 1 . 2]"
1 99 MET 1.903 0.130 15 0 "[ . 1 . 2]"
1 100 ARG 1.298 0.099 19 0 "[ . 1 . 2]"
1 101 VAL 3.425 0.875 14 2 "[ . 1 +. -2]"
1 102 TRP 28.119 0.997 13 20 [************+-******]
1 103 ARG 6.282 0.499 14 0 "[ . 1 . 2]"
1 104 GLU 0.550 0.531 18 1 "[ . 1 . + 2]"
1 105 SER 0.092 0.024 7 0 "[ . 1 . 2]"
1 106 GLY 0.002 0.002 9 0 "[ . 1 . 2]"
1 107 PRO 0.002 0.002 9 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 21 ILE H 1 21 ILE MG . . 4.290 3.811 3.755 3.876 . 0 0 "[ . 1 . 2]" 1
2 1 92 GLY H 1 93 ALA H . . 4.180 4.060 3.731 4.172 . 0 0 "[ . 1 . 2]" 1
3 1 91 ARG QB 1 92 GLY H . . 3.710 2.898 2.364 3.595 . 0 0 "[ . 1 . 2]" 1
4 1 65 ARG H 1 65 ARG HB2 . . 3.890 2.684 2.462 2.773 . 0 0 "[ . 1 . 2]" 1
5 1 65 ARG H 1 65 ARG QG . . 3.870 3.358 3.049 3.784 . 0 0 "[ . 1 . 2]" 1
6 1 53 VAL MG2 1 65 ARG H . . 4.600 3.606 3.356 3.818 . 0 0 "[ . 1 . 2]" 1
7 1 45 ASP H 1 46 GLU H . . 5.110 4.094 3.899 4.352 . 0 0 "[ . 1 . 2]" 1
8 1 46 GLU H 1 47 GLY H . . 3.740 3.509 3.264 3.647 . 0 0 "[ . 1 . 2]" 1
9 1 45 ASP HB3 1 46 GLU H . . 4.700 3.748 3.338 4.073 . 0 0 "[ . 1 . 2]" 1
10 1 46 GLU H 1 46 GLU QG . . 3.690 2.318 1.954 2.737 . 0 0 "[ . 1 . 2]" 1
11 1 46 GLU H 1 46 GLU QB . . 3.770 2.487 2.315 2.727 . 0 0 "[ . 1 . 2]" 1
12 1 13 GLU H 1 13 GLU QG . . 4.090 2.815 2.579 2.929 . 0 0 "[ . 1 . 2]" 1
13 1 13 GLU H 1 13 GLU QB . . 3.510 3.271 3.059 3.324 . 0 0 "[ . 1 . 2]" 1
14 1 98 GLN HG2 1 99 MET H . . 4.080 2.850 2.644 3.031 . 0 0 "[ . 1 . 2]" 1
15 1 99 MET H 1 99 MET HB2 . . 3.960 2.567 2.486 2.756 . 0 0 "[ . 1 . 2]" 1
16 1 19 LEU HB2 1 99 MET H . . 4.700 4.053 3.470 4.721 0.021 14 0 "[ . 1 . 2]" 1
17 1 21 ILE MD 1 99 MET H . . 4.930 4.308 3.754 4.653 . 0 0 "[ . 1 . 2]" 1
18 1 97 VAL MG1 1 99 MET H . . 4.770 4.456 4.287 4.602 . 0 0 "[ . 1 . 2]" 1
19 1 41 TYR H 1 41 TYR QD . . 5.030 4.004 3.834 4.097 . 0 0 "[ . 1 . 2]" 1
20 1 23 ARG H 1 97 VAL H . . 4.890 4.266 3.643 4.793 . 0 0 "[ . 1 . 2]" 1
21 1 21 ILE HB 1 97 VAL H . . 4.210 3.513 3.353 3.969 . 0 0 "[ . 1 . 2]" 1
22 1 74 ASN H 1 75 GLY H . . 4.120 2.528 2.471 2.606 . 0 0 "[ . 1 . 2]" 1
23 1 73 VAL H 1 75 GLY H . . 4.900 2.847 2.585 3.204 . 0 0 "[ . 1 . 2]" 1
24 1 16 GLU HB3 1 17 LEU H . . 4.210 3.164 2.982 3.299 . 0 0 "[ . 1 . 2]" 1
25 1 16 GLU HB2 1 17 LEU H . . 4.240 4.299 4.193 4.388 0.148 18 0 "[ . 1 . 2]" 1
26 1 17 LEU H 1 17 LEU HG . . 3.420 2.577 2.511 2.722 . 0 0 "[ . 1 . 2]" 1
27 1 17 LEU H 1 17 LEU MD2 . . 3.650 3.662 3.582 3.767 0.117 12 0 "[ . 1 . 2]" 1
28 1 18 THR HA 1 100 ARG H . . 4.740 4.482 4.388 4.567 . 0 0 "[ . 1 . 2]" 1
29 1 72 GLU QB 1 100 ARG H . . 4.650 3.206 2.736 3.560 . 0 0 "[ . 1 . 2]" 1
30 1 100 ARG H 1 100 ARG HB3 . . 3.880 2.603 2.490 2.816 . 0 0 "[ . 1 . 2]" 1
31 1 100 ARG H 1 100 ARG HG2 . . 4.470 4.471 4.393 4.569 0.099 19 0 "[ . 1 . 2]" 1
32 1 73 VAL MG2 1 100 ARG H . . 4.420 3.538 3.287 3.773 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLU QG 1 104 GLU H . . 4.130 2.072 1.931 2.269 . 0 0 "[ . 1 . 2]" 1
34 1 103 ARG HB2 1 104 GLU H . . 4.350 4.038 3.654 4.169 . 0 0 "[ . 1 . 2]" 1
35 1 103 ARG QG 1 104 GLU H . . 4.070 2.291 1.880 4.089 0.019 11 0 "[ . 1 . 2]" 1
36 1 63 GLY H 1 64 VAL MG1 . . 4.590 3.457 3.358 3.585 . 0 0 "[ . 1 . 2]" 1
37 1 68 ASP HB3 1 69 LYS H . . 4.200 3.592 3.350 4.513 0.313 19 0 "[ . 1 . 2]" 1
38 1 69 LYS H 1 102 TRP HB3 . . 4.800 3.407 3.179 3.781 . 0 0 "[ . 1 . 2]" 1
39 1 9 PRO HA 1 10 ALA H . . 3.290 2.276 2.149 2.633 . 0 0 "[ . 1 . 2]" 1
40 1 10 ALA H 1 10 ALA MB . . 3.510 2.412 2.133 2.816 . 0 0 "[ . 1 . 2]" 1
41 1 48 ILE HB 1 49 PHE H . . 4.980 4.487 4.330 4.576 . 0 0 "[ . 1 . 2]" 1
42 1 33 ALA H 1 49 PHE H . . 4.150 2.909 2.556 3.205 . 0 0 "[ . 1 . 2]" 1
43 1 83 HIS H 1 83 HIS HB2 . . 3.710 2.149 2.027 2.593 . 0 0 "[ . 1 . 2]" 1
44 1 83 HIS H 1 83 HIS HB3 . . 3.830 2.847 2.326 3.112 . 0 0 "[ . 1 . 2]" 1
45 1 82 GLU HB2 1 83 HIS H . . 4.000 3.724 3.387 4.201 0.201 12 0 "[ . 1 . 2]" 1
46 1 33 ALA H 1 51 SER H . . 4.580 4.344 3.986 4.571 . 0 0 "[ . 1 . 2]" 1
47 1 31 SER H 1 51 SER H . . 5.020 3.523 3.158 3.759 . 0 0 "[ . 1 . 2]" 1
48 1 50 ILE MD 1 51 SER H . . 4.360 3.465 3.246 3.627 . 0 0 "[ . 1 . 2]" 1
49 1 23 ARG H 1 23 ARG QB . . 3.430 2.182 2.057 2.393 . 0 0 "[ . 1 . 2]" 1
50 1 23 ARG H 1 23 ARG QG . . 4.280 3.724 2.642 3.949 . 0 0 "[ . 1 . 2]" 1
51 1 22 LEU QB 1 23 ARG H . . 4.040 3.374 3.139 3.715 . 0 0 "[ . 1 . 2]" 1
52 1 22 LEU QD 1 23 ARG H . . 3.990 2.892 1.881 3.605 . 0 0 "[ . 1 . 2]" 1
53 1 21 ILE MG 1 23 ARG H . . 4.480 4.414 3.980 4.573 0.093 7 0 "[ . 1 . 2]" 1
54 1 22 LEU QD 1 96 ALA H . . 4.550 3.641 3.047 4.070 . 0 0 "[ . 1 . 2]" 1
55 1 96 ALA H 1 97 VAL H . . 4.670 4.427 4.336 4.527 . 0 0 "[ . 1 . 2]" 1
56 1 95 THR H 1 96 ALA H . . 4.970 3.351 3.011 3.467 . 0 0 "[ . 1 . 2]" 1
57 1 95 THR HB 1 96 ALA H . . 4.060 2.663 1.949 3.742 . 0 0 "[ . 1 . 2]" 1
58 1 94 GLY HA3 1 96 ALA H . . 4.630 4.467 3.727 4.644 0.014 4 0 "[ . 1 . 2]" 1
59 1 95 THR MG 1 96 ALA H . . 4.430 3.061 1.817 3.995 . 0 0 "[ . 1 . 2]" 1
60 1 96 ALA H 1 96 ALA MB . . 3.210 2.157 2.022 2.236 . 0 0 "[ . 1 . 2]" 1
61 1 32 ILE HB 1 51 SER H . . 5.230 5.153 4.874 5.254 0.024 19 0 "[ . 1 . 2]" 1
62 1 33 ALA MB 1 51 SER H . . 5.310 4.014 3.660 4.319 . 0 0 "[ . 1 . 2]" 1
63 1 75 GLY H 1 76 VAL H . . 3.770 2.461 2.250 2.566 . 0 0 "[ . 1 . 2]" 1
64 1 72 GLU HA 1 76 VAL H . . 4.930 4.918 4.744 4.983 0.053 17 0 "[ . 1 . 2]" 1
65 1 74 ASN HB2 1 76 VAL H . . 5.020 3.884 3.128 3.959 . 0 0 "[ . 1 . 2]" 1
66 1 76 VAL H 1 76 VAL HB . . 3.190 2.411 2.337 2.507 . 0 0 "[ . 1 . 2]" 1
67 1 60 ALA H 1 61 ARG H . . 3.940 2.924 2.705 3.029 . 0 0 "[ . 1 . 2]" 1
68 1 57 GLY H 1 60 ALA H . . 4.790 3.753 3.546 4.072 . 0 0 "[ . 1 . 2]" 1
69 1 60 ALA H 1 62 ALA H . . 5.040 4.419 4.055 4.565 . 0 0 "[ . 1 . 2]" 1
70 1 12 ILE H 1 12 ILE HB . . 3.370 2.486 2.408 2.562 . 0 0 "[ . 1 . 2]" 1
71 1 12 ILE H 1 12 ILE HG13 . . 4.000 3.171 2.553 4.061 0.061 20 0 "[ . 1 . 2]" 1
72 1 71 LEU H 1 71 LEU QB . . 3.860 2.713 2.575 2.798 . 0 0 "[ . 1 . 2]" 1
73 1 52 ARG HB3 1 53 VAL H . . 4.320 3.616 3.279 4.058 . 0 0 "[ . 1 . 2]" 1
74 1 36 LYS H 1 83 HIS H . . 4.610 4.181 2.680 4.609 . 0 0 "[ . 1 . 2]" 1
75 1 35 GLY H 1 36 LYS H . . 4.670 4.200 3.942 4.581 . 0 0 "[ . 1 . 2]" 1
76 1 36 LYS H 1 82 GLU HA . . 3.110 2.365 1.948 2.795 . 0 0 "[ . 1 . 2]" 1
77 1 36 LYS H 1 82 GLU QG . . 4.350 3.396 2.741 3.938 . 0 0 "[ . 1 . 2]" 1
78 1 36 LYS H 1 36 LYS QB . . 3.130 2.220 2.155 2.532 . 0 0 "[ . 1 . 2]" 1
79 1 36 LYS H 1 36 LYS HG2 . . 4.660 4.382 4.210 4.501 . 0 0 "[ . 1 . 2]" 1
80 1 71 LEU H 1 71 LEU MD1 . . 4.250 3.819 3.616 3.988 . 0 0 "[ . 1 . 2]" 1
81 1 53 VAL HB 1 54 SER H . . 4.660 4.590 4.462 4.648 . 0 0 "[ . 1 . 2]" 1
82 1 53 VAL MG2 1 54 SER H . . 4.500 4.029 3.850 4.130 . 0 0 "[ . 1 . 2]" 1
83 1 77 ALA HA 1 79 GLN H . . 4.220 3.649 3.276 3.949 . 0 0 "[ . 1 . 2]" 1
84 1 79 GLN H 1 79 GLN QG . . 4.140 3.555 2.692 4.020 . 0 0 "[ . 1 . 2]" 1
85 1 79 GLN H 1 79 GLN HB2 . . 3.270 2.242 2.066 2.562 . 0 0 "[ . 1 . 2]" 1
86 1 79 GLN H 1 79 GLN HB3 . . 3.500 3.092 2.661 3.465 . 0 0 "[ . 1 . 2]" 1
87 1 77 ALA MB 1 79 GLN H . . 3.720 2.778 2.547 3.301 . 0 0 "[ . 1 . 2]" 1
88 1 78 LEU HB2 1 79 GLN H . . 4.660 4.115 3.317 4.394 . 0 0 "[ . 1 . 2]" 1
89 1 88 GLU QG 1 89 ALA H . . 4.470 4.442 4.341 4.500 0.030 20 0 "[ . 1 . 2]" 1
90 1 88 GLU HB2 1 89 ALA H . . 3.740 3.187 2.965 3.289 . 0 0 "[ . 1 . 2]" 1
91 1 88 GLU HB3 1 89 ALA H . . 3.700 2.603 2.369 2.788 . 0 0 "[ . 1 . 2]" 1
92 1 89 ALA H 1 90 LEU HB2 . . 4.910 4.753 4.478 4.922 0.012 6 0 "[ . 1 . 2]" 1
93 1 86 ALA MB 1 89 ALA H . . 4.870 4.645 4.471 4.751 . 0 0 "[ . 1 . 2]" 1
94 1 87 VAL MG1 1 89 ALA H . . 5.000 4.972 4.843 5.007 0.007 14 0 "[ . 1 . 2]" 1
95 1 78 LEU MD1 1 89 ALA H . . 5.010 4.423 3.800 5.012 0.002 2 0 "[ . 1 . 2]" 1
96 1 51 SER H 1 52 ARG H . . 3.130 2.151 1.970 2.397 . 0 0 "[ . 1 . 2]" 1
97 1 52 ARG H 1 53 VAL H . . 4.710 4.340 4.240 4.419 . 0 0 "[ . 1 . 2]" 1
98 1 31 SER H 1 52 ARG H . . 3.600 2.431 2.192 2.572 . 0 0 "[ . 1 . 2]" 1
99 1 32 ILE HA 1 52 ARG H . . 4.700 4.589 4.412 4.716 0.016 7 0 "[ . 1 . 2]" 1
100 1 30 ILE HA 1 52 ARG H . . 4.780 4.487 4.235 4.743 . 0 0 "[ . 1 . 2]" 1
101 1 51 SER HB3 1 52 ARG H . . 4.730 3.106 2.800 3.989 . 0 0 "[ . 1 . 2]" 1
102 1 30 ILE HB 1 52 ARG H . . 4.640 4.417 3.970 4.645 0.005 16 0 "[ . 1 . 2]" 1
103 1 52 ARG H 1 52 ARG HB2 . . 4.070 3.174 2.980 3.353 . 0 0 "[ . 1 . 2]" 1
104 1 52 ARG H 1 52 ARG HB3 . . 3.990 3.088 2.879 3.298 . 0 0 "[ . 1 . 2]" 1
105 1 52 ARG H 1 66 VAL MG2 . . 4.150 3.657 3.350 3.999 . 0 0 "[ . 1 . 2]" 1
106 1 30 ILE MG 1 52 ARG H . . 4.780 4.732 4.541 4.795 0.015 19 0 "[ . 1 . 2]" 1
107 1 52 ARG H 1 53 VAL MG2 . . 4.350 3.809 3.671 4.041 . 0 0 "[ . 1 . 2]" 1
108 1 86 ALA H 1 88 GLU H . . 4.710 4.296 4.161 4.425 . 0 0 "[ . 1 . 2]" 1
109 1 85 GLU H 1 86 ALA H . . 3.250 2.916 2.747 3.001 . 0 0 "[ . 1 . 2]" 1
110 1 85 GLU HB2 1 86 ALA H . . 4.030 2.632 2.520 2.755 . 0 0 "[ . 1 . 2]" 1
111 1 86 ALA H 1 87 VAL HB . . 4.690 4.678 4.598 4.704 0.014 17 0 "[ . 1 . 2]" 1
112 1 85 GLU HG2 1 86 ALA H . . 4.770 4.771 4.718 4.794 0.024 5 0 "[ . 1 . 2]" 1
113 1 85 GLU HB3 1 86 ALA H . . 4.270 3.542 3.384 3.774 . 0 0 "[ . 1 . 2]" 1
114 1 85 GLU HG3 1 86 ALA H . . 4.640 4.550 4.411 4.622 . 0 0 "[ . 1 . 2]" 1
115 1 81 ALA MB 1 86 ALA H . . 4.210 3.490 3.187 3.834 . 0 0 "[ . 1 . 2]" 1
116 1 59 ALA H 1 60 ALA H . . 3.580 2.849 2.760 2.992 . 0 0 "[ . 1 . 2]" 1
117 1 58 PRO HG3 1 59 ALA H . . 4.160 4.088 3.901 4.251 0.091 5 0 "[ . 1 . 2]" 1
118 1 58 PRO HB2 1 59 ALA H . . 3.870 3.305 3.011 3.527 . 0 0 "[ . 1 . 2]" 1
119 1 59 ALA H 1 60 ALA MB . . 4.580 4.292 4.166 4.485 . 0 0 "[ . 1 . 2]" 1
120 1 30 ILE MG 1 59 ALA H . . 4.360 3.789 3.554 4.095 . 0 0 "[ . 1 . 2]" 1
121 1 21 ILE MG 1 59 ALA H . . 4.260 3.250 2.942 3.537 . 0 0 "[ . 1 . 2]" 1
122 1 8 GLU H 1 8 GLU QG . . 5.080 3.534 2.301 4.327 . 0 0 "[ . 1 . 2]" 1
123 1 8 GLU H 1 8 GLU HB3 . . 4.050 3.499 2.324 4.100 0.050 7 0 "[ . 1 . 2]" 1
124 1 64 VAL H 1 65 ARG H . . 5.050 4.637 4.621 4.654 . 0 0 "[ . 1 . 2]" 1
125 1 62 ALA HA 1 64 VAL H . . 5.140 5.112 4.988 5.173 0.033 6 0 "[ . 1 . 2]" 1
126 1 60 ALA HA 1 64 VAL H . . 3.920 3.246 2.659 3.539 . 0 0 "[ . 1 . 2]" 1
127 1 64 VAL H 1 64 VAL HB . . 3.120 2.405 2.329 2.480 . 0 0 "[ . 1 . 2]" 1
128 1 59 ALA MB 1 64 VAL H . . 4.340 3.920 3.761 4.222 . 0 0 "[ . 1 . 2]" 1
129 1 19 LEU QD 1 64 VAL H . . 4.380 3.284 2.408 3.966 . 0 0 "[ . 1 . 2]" 1
130 1 73 VAL H 1 74 ASN H . . 5.260 3.859 3.686 4.115 . 0 0 "[ . 1 . 2]" 1
131 1 72 GLU H 1 73 VAL H . . 4.690 4.395 4.315 4.441 . 0 0 "[ . 1 . 2]" 1
132 1 72 GLU QB 1 73 VAL H . . 4.170 2.992 2.613 3.563 . 0 0 "[ . 1 . 2]" 1
133 1 73 VAL H 1 78 LEU HG . . 4.370 3.242 2.824 3.509 . 0 0 "[ . 1 . 2]" 1
134 1 73 VAL H 1 76 VAL MG1 . . 4.650 2.010 1.925 2.127 . 0 0 "[ . 1 . 2]" 1
135 1 73 VAL H 1 78 LEU MD1 . . 4.280 3.939 3.435 4.311 0.031 9 0 "[ . 1 . 2]" 1
136 1 102 TRP H 1 102 TRP HB3 . . 3.920 2.677 2.555 2.782 . 0 0 "[ . 1 . 2]" 1
137 1 71 LEU HG 1 102 TRP H . . 4.180 3.141 2.928 3.404 . 0 0 "[ . 1 . 2]" 1
138 1 38 SER HB2 1 39 THR H . . 5.000 3.855 2.258 4.166 . 0 0 "[ . 1 . 2]" 1
139 1 10 ALA HA 1 11 ARG H . . 3.120 2.398 2.198 2.642 . 0 0 "[ . 1 . 2]" 1
140 1 11 ARG H 1 11 ARG HB2 . . 4.100 2.482 2.076 3.291 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG H 1 11 ARG HB3 . . 3.960 3.528 2.971 4.093 0.133 15 0 "[ . 1 . 2]" 1
142 1 11 ARG H 1 11 ARG HG2 . . 4.630 3.933 2.897 4.714 0.084 17 0 "[ . 1 . 2]" 1
143 1 11 ARG H 1 11 ARG HG3 . . 4.720 3.468 2.501 4.693 . 0 0 "[ . 1 . 2]" 1
144 1 10 ALA MB 1 11 ARG H . . 4.130 2.724 2.152 3.598 . 0 0 "[ . 1 . 2]" 1
145 1 13 GLU H 1 14 GLU H . . 4.100 4.109 4.055 4.141 0.041 17 0 "[ . 1 . 2]" 1
146 1 13 GLU QB 1 14 GLU H . . 3.000 3.089 2.998 3.351 0.351 4 0 "[ . 1 . 2]" 1
147 1 14 GLU H 1 14 GLU HB2 . . 3.810 2.340 2.264 2.459 . 0 0 "[ . 1 . 2]" 1
148 1 14 GLU H 1 14 GLU HB3 . . 3.470 3.539 3.516 3.558 0.088 17 0 "[ . 1 . 2]" 1
149 1 12 ILE MG 1 14 GLU H . . 4.530 4.458 4.101 4.537 0.007 16 0 "[ . 1 . 2]" 1
150 1 93 ALA H 1 93 ALA MB . . 3.460 2.824 2.661 2.883 . 0 0 "[ . 1 . 2]" 1
151 1 48 ILE H 1 70 LEU H . . 4.990 4.558 4.178 4.922 . 0 0 "[ . 1 . 2]" 1
152 1 48 ILE H 1 48 ILE HG12 . . 3.820 2.734 2.575 2.957 . 0 0 "[ . 1 . 2]" 1
153 1 48 ILE H 1 69 LYS HG2 . . 5.050 4.604 4.358 5.018 . 0 0 "[ . 1 . 2]" 1
154 1 66 VAL H 1 66 VAL HB . . 3.180 2.327 2.243 2.419 . 0 0 "[ . 1 . 2]" 1
155 1 65 ARG HB3 1 66 VAL H . . 3.780 3.093 2.715 3.255 . 0 0 "[ . 1 . 2]" 1
156 1 65 ARG HB2 1 66 VAL H . . 4.200 4.187 4.030 4.228 0.028 5 0 "[ . 1 . 2]" 1
157 1 65 ARG QG 1 66 VAL H . . 4.150 3.930 3.450 4.159 0.009 19 0 "[ . 1 . 2]" 1
158 1 82 GLU H 1 85 GLU H . . 4.840 3.817 3.594 4.014 . 0 0 "[ . 1 . 2]" 1
159 1 82 GLU H 1 82 GLU QG . . 3.580 2.464 1.949 3.036 . 0 0 "[ . 1 . 2]" 1
160 1 82 GLU H 1 82 GLU HB3 . . 3.520 3.525 3.404 3.554 0.034 17 0 "[ . 1 . 2]" 1
161 1 81 ALA H 1 82 GLU H . . 4.700 4.574 4.459 4.650 . 0 0 "[ . 1 . 2]" 1
162 1 80 GLY H 1 81 ALA H . . 4.540 2.693 1.994 3.438 . 0 0 "[ . 1 . 2]" 1
163 1 78 LEU HA 1 81 ALA H . . 4.500 3.806 3.234 4.267 . 0 0 "[ . 1 . 2]" 1
164 1 79 GLN HA 1 81 ALA H . . 4.230 3.971 3.707 4.212 . 0 0 "[ . 1 . 2]" 1
165 1 78 LEU HB3 1 81 ALA H . . 4.720 4.470 3.926 4.734 0.014 20 0 "[ . 1 . 2]" 1
166 1 78 LEU MD2 1 81 ALA H . . 4.880 4.513 4.049 4.752 . 0 0 "[ . 1 . 2]" 1
167 1 91 ARG H 1 91 ARG QB . . 2.950 2.289 2.098 2.491 . 0 0 "[ . 1 . 2]" 1
168 1 91 ARG H 1 91 ARG HG2 . . 3.980 3.153 2.623 4.187 0.207 14 0 "[ . 1 . 2]" 1
169 1 91 ARG H 1 91 ARG HG3 . . 4.120 3.063 2.018 4.168 0.048 10 0 "[ . 1 . 2]" 1
170 1 90 LEU HB3 1 91 ARG H . . 4.020 3.295 3.092 3.587 . 0 0 "[ . 1 . 2]" 1
171 1 87 VAL MG1 1 91 ARG H . . 4.930 3.636 3.266 4.065 . 0 0 "[ . 1 . 2]" 1
172 1 90 LEU MD1 1 91 ARG H . . 4.450 4.409 4.061 4.466 0.016 14 0 "[ . 1 . 2]" 1
173 1 16 GLU H 1 17 LEU H . . 4.790 4.593 4.563 4.611 . 0 0 "[ . 1 . 2]" 1
174 1 16 GLU H 1 102 TRP HD1 . . 5.000 3.233 2.999 3.357 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLU H 1 16 GLU HB3 . . 3.450 3.490 3.422 3.521 0.071 6 0 "[ . 1 . 2]" 1
176 1 15 GLU HB3 1 16 GLU H . . 3.950 3.663 3.532 3.995 0.045 14 0 "[ . 1 . 2]" 1
177 1 16 GLU H 1 17 LEU MD2 . . 5.240 3.805 3.522 4.067 . 0 0 "[ . 1 . 2]" 1
178 1 78 LEU H 1 78 LEU HG . . 3.360 2.973 2.841 3.094 . 0 0 "[ . 1 . 2]" 1
179 1 78 LEU H 1 78 LEU HB2 . . 3.640 2.414 2.267 2.545 . 0 0 "[ . 1 . 2]" 1
180 1 50 ILE H 1 68 ASP H . . 4.760 3.203 2.795 3.536 . 0 0 "[ . 1 . 2]" 1
181 1 49 PHE QD 1 50 ILE H . . 4.740 4.035 3.663 4.167 . 0 0 "[ . 1 . 2]" 1
182 1 50 ILE H 1 68 ASP HA . . 5.290 4.597 4.427 4.721 . 0 0 "[ . 1 . 2]" 1
183 1 50 ILE H 1 69 LYS HA . . 4.280 3.999 3.793 4.177 . 0 0 "[ . 1 . 2]" 1
184 1 49 PHE HB2 1 50 ILE H . . 3.970 3.988 3.872 4.087 0.117 12 0 "[ . 1 . 2]" 1
185 1 50 ILE H 1 50 ILE HG12 . . 3.670 2.225 1.982 2.420 . 0 0 "[ . 1 . 2]" 1
186 1 50 ILE H 1 50 ILE MG . . 4.140 3.707 3.677 3.724 . 0 0 "[ . 1 . 2]" 1
187 1 50 ILE H 1 68 ASP HB2 . . 5.010 3.881 3.350 5.086 0.076 19 0 "[ . 1 . 2]" 1
188 1 15 GLU H 1 104 GLU HA . . 4.920 2.434 2.090 2.607 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLU QG 1 15 GLU H . . 4.630 3.501 3.308 3.746 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLU HB2 1 15 GLU H . . 4.090 4.053 3.741 4.199 0.109 4 0 "[ . 1 . 2]" 1
191 1 14 GLU HB3 1 15 GLU H . . 4.180 2.770 2.424 2.982 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLU H 1 15 GLU HB3 . . 3.760 3.215 2.758 3.371 . 0 0 "[ . 1 . 2]" 1
193 1 84 HIS HB3 1 85 GLU H . . 4.860 3.763 3.668 3.904 . 0 0 "[ . 1 . 2]" 1
194 1 82 GLU HB2 1 85 GLU H . . 4.770 2.821 2.597 3.123 . 0 0 "[ . 1 . 2]" 1
195 1 100 ARG H 1 101 VAL H . . 4.810 4.304 4.245 4.343 . 0 0 "[ . 1 . 2]" 1
196 1 100 ARG HB3 1 101 VAL H . . 4.740 4.380 4.253 4.453 . 0 0 "[ . 1 . 2]" 1
197 1 100 ARG HG3 1 101 VAL H . . 4.370 3.865 3.581 4.028 . 0 0 "[ . 1 . 2]" 1
198 1 100 ARG HG2 1 101 VAL H . . 4.010 3.545 3.388 3.811 . 0 0 "[ . 1 . 2]" 1
199 1 62 ALA H 1 63 GLY HA2 . . 5.010 5.007 4.439 5.133 0.123 15 0 "[ . 1 . 2]" 1
200 1 61 ARG QB 1 62 ALA H . . 3.760 2.446 2.214 3.377 . 0 0 "[ . 1 . 2]" 1
201 1 62 ALA H 1 64 VAL MG1 . . 4.840 4.421 3.847 4.800 . 0 0 "[ . 1 . 2]" 1
202 1 21 ILE HG12 1 62 ALA H . . 4.810 3.705 3.445 4.201 . 0 0 "[ . 1 . 2]" 1
203 1 61 ARG HA 1 62 ALA H . . 3.650 3.620 3.403 3.648 . 0 0 "[ . 1 . 2]" 1
204 1 61 ARG HG3 1 62 ALA H . . 4.850 4.242 4.049 4.667 . 0 0 "[ . 1 . 2]" 1
205 1 61 ARG HG2 1 62 ALA H . . 4.690 4.711 3.842 4.967 0.277 15 0 "[ . 1 . 2]" 1
206 1 59 ALA MB 1 62 ALA H . . 5.050 4.391 4.265 4.725 . 0 0 "[ . 1 . 2]" 1
207 1 21 ILE MG 1 62 ALA H . . 4.800 3.840 3.472 4.409 . 0 0 "[ . 1 . 2]" 1
208 1 14 GLU HA 1 105 SER H . . 4.130 4.118 4.044 4.154 0.024 7 0 "[ . 1 . 2]" 1
209 1 104 GLU HA 1 105 SER H . . 3.080 2.277 2.208 2.384 . 0 0 "[ . 1 . 2]" 1
210 1 104 GLU HG2 1 105 SER H . . 4.240 2.622 2.037 4.027 . 0 0 "[ . 1 . 2]" 1
211 1 15 GLU QG 1 105 SER H . . 4.640 2.648 2.180 4.012 . 0 0 "[ . 1 . 2]" 1
212 1 104 GLU QB 1 105 SER H . . 3.890 3.577 2.843 3.871 . 0 0 "[ . 1 . 2]" 1
213 1 88 GLU H 1 88 GLU HB2 . . 3.200 2.034 2.022 2.049 . 0 0 "[ . 1 . 2]" 1
214 1 88 GLU H 1 91 ARG QB . . 5.020 4.903 4.426 5.035 0.015 15 0 "[ . 1 . 2]" 1
215 1 71 LEU H 1 72 GLU H . . 3.320 1.916 1.829 2.098 . 0 0 "[ . 1 . 2]" 1
216 1 72 GLU H 1 100 ARG H . . 3.710 2.747 2.516 2.874 . 0 0 "[ . 1 . 2]" 1
217 1 72 GLU H 1 99 MET HA . . 4.990 4.541 4.229 4.715 . 0 0 "[ . 1 . 2]" 1
218 1 72 GLU H 1 72 GLU QG . . 4.460 4.054 3.755 4.208 . 0 0 "[ . 1 . 2]" 1
219 1 72 GLU H 1 100 ARG HB3 . . 3.930 2.171 2.021 2.458 . 0 0 "[ . 1 . 2]" 1
220 1 72 GLU H 1 100 ARG HB2 . . 4.080 3.602 3.391 3.753 . 0 0 "[ . 1 . 2]" 1
221 1 71 LEU QB 1 72 GLU H . . 3.660 2.701 2.618 2.792 . 0 0 "[ . 1 . 2]" 1
222 1 72 GLU H 1 73 VAL MG2 . . 4.390 3.789 3.519 4.077 . 0 0 "[ . 1 . 2]" 1
223 1 71 LEU MD2 1 72 GLU H . . 4.650 4.692 4.654 4.723 0.073 3 0 "[ . 1 . 2]" 1
224 1 20 THR H 1 21 ILE H . . 4.840 4.240 3.994 4.406 . 0 0 "[ . 1 . 2]" 1
225 1 19 LEU HB2 1 20 THR H . . 3.980 4.005 3.840 4.095 0.115 4 0 "[ . 1 . 2]" 1
226 1 19 LEU HB3 1 20 THR H . . 3.810 2.932 2.554 3.504 . 0 0 "[ . 1 . 2]" 1
227 1 20 THR H 1 20 THR MG . . 4.320 3.918 3.859 3.945 . 0 0 "[ . 1 . 2]" 1
228 1 19 LEU QD 1 20 THR H . . 3.990 2.968 2.685 3.280 . 0 0 "[ . 1 . 2]" 1
229 1 85 GLU H 1 87 VAL H . . 4.790 4.586 4.415 4.699 . 0 0 "[ . 1 . 2]" 1
230 1 87 VAL H 1 87 VAL MG2 . . 3.280 2.122 1.959 2.332 . 0 0 "[ . 1 . 2]" 1
231 1 67 GLY H 1 68 ASP H . . 3.850 2.508 2.102 2.834 . 0 0 "[ . 1 . 2]" 1
232 1 36 LYS HA 1 37 GLY H . . 3.380 2.375 2.186 3.470 0.090 4 0 "[ . 1 . 2]" 1
233 1 36 LYS HG3 1 37 GLY H . . 4.530 2.759 1.979 3.524 . 0 0 "[ . 1 . 2]" 1
234 1 36 LYS HG2 1 37 GLY H . . 5.000 2.911 1.974 4.047 . 0 0 "[ . 1 . 2]" 1
235 1 17 LEU H 1 18 THR H . . 4.960 4.423 4.395 4.446 . 0 0 "[ . 1 . 2]" 1
236 1 18 THR H 1 100 ARG HA . . 5.190 4.562 4.457 4.640 . 0 0 "[ . 1 . 2]" 1
237 1 17 LEU QB 1 18 THR H . . 3.490 2.674 2.515 2.804 . 0 0 "[ . 1 . 2]" 1
238 1 18 THR H 1 19 LEU QD . . 4.790 4.138 3.278 4.737 . 0 0 "[ . 1 . 2]" 1
239 1 17 LEU MD1 1 18 THR H . . 4.890 4.795 4.623 4.917 0.027 15 0 "[ . 1 . 2]" 1
240 1 90 LEU H 1 90 LEU HB2 . . 3.310 2.265 2.180 2.423 . 0 0 "[ . 1 . 2]" 1
241 1 90 LEU H 1 90 LEU HG . . 3.300 2.554 2.214 2.765 . 0 0 "[ . 1 . 2]" 1
242 1 89 ALA MB 1 90 LEU H . . 3.230 2.558 2.226 2.823 . 0 0 "[ . 1 . 2]" 1
243 1 73 VAL MG2 1 90 LEU H . . 4.790 4.670 4.006 4.805 0.015 11 0 "[ . 1 . 2]" 1
244 1 90 LEU H 1 90 LEU MD1 . . 3.630 3.419 3.195 3.630 0.000 17 0 "[ . 1 . 2]" 1
245 1 56 GLU H 1 56 GLU HG3 . . 5.060 3.849 2.109 4.500 . 0 0 "[ . 1 . 2]" 1
246 1 56 GLU H 1 60 ALA MB . . 4.810 4.390 3.968 4.692 . 0 0 "[ . 1 . 2]" 1
247 1 30 ILE MD 1 31 SER H . . 4.520 3.892 3.045 4.488 . 0 0 "[ . 1 . 2]" 1
248 1 31 SER H 1 52 ARG HB2 . . 4.480 4.447 4.030 4.503 0.023 14 0 "[ . 1 . 2]" 1
249 1 37 GLY H 1 38 SER H . . 3.740 3.297 2.083 3.657 . 0 0 "[ . 1 . 2]" 1
250 1 36 LYS HA 1 38 SER H . . 4.160 4.050 3.742 4.167 0.007 16 0 "[ . 1 . 2]" 1
251 1 38 SER H 1 38 SER HB2 . . 3.700 2.572 2.017 3.574 . 0 0 "[ . 1 . 2]" 1
252 1 38 SER H 1 38 SER HB3 . . 3.410 3.231 2.627 3.705 0.295 10 0 "[ . 1 . 2]" 1
253 1 32 ILE H 1 32 ILE HG12 . . 3.690 2.229 1.953 2.429 . 0 0 "[ . 1 . 2]" 1
254 1 41 TYR QD 1 42 LYS H . . 4.440 3.366 2.956 3.719 . 0 0 "[ . 1 . 2]" 1
255 1 41 TYR HB2 1 42 LYS H . . 4.390 4.004 3.859 4.110 . 0 0 "[ . 1 . 2]" 1
256 1 42 LYS H 1 42 LYS HB2 . . 4.180 2.664 2.196 4.058 . 0 0 "[ . 1 . 2]" 1
257 1 42 LYS H 1 42 LYS HG3 . . 4.290 3.738 3.046 4.251 . 0 0 "[ . 1 . 2]" 1
258 1 41 TYR H 1 42 LYS H . . 3.590 2.303 1.898 2.771 . 0 0 "[ . 1 . 2]" 1
259 1 41 TYR HB3 1 42 LYS H . . 3.950 2.722 2.561 2.951 . 0 0 "[ . 1 . 2]" 1
260 1 83 HIS H 1 84 HIS H . . 4.480 2.978 2.795 3.140 . 0 0 "[ . 1 . 2]" 1
261 1 84 HIS H 1 84 HIS HD2 . . 4.990 2.718 2.074 4.425 . 0 0 "[ . 1 . 2]" 1
262 1 84 HIS H 1 85 GLU H . . 4.140 2.933 2.638 3.054 . 0 0 "[ . 1 . 2]" 1
263 1 83 HIS HB2 1 84 HIS H . . 4.570 3.518 3.243 3.896 . 0 0 "[ . 1 . 2]" 1
264 1 84 HIS H 1 84 HIS HB2 . . 4.090 3.512 3.489 3.545 . 0 0 "[ . 1 . 2]" 1
265 1 84 HIS H 1 84 HIS HB3 . . 3.570 2.298 2.226 2.436 . 0 0 "[ . 1 . 2]" 1
266 1 82 GLU HB2 1 84 HIS H . . 4.810 3.827 3.535 4.359 . 0 0 "[ . 1 . 2]" 1
267 1 82 GLU HB3 1 84 HIS H . . 5.230 3.133 2.389 3.406 . 0 0 "[ . 1 . 2]" 1
268 1 74 ASN HD21 1 97 VAL HA . . 4.700 2.888 2.627 3.312 . 0 0 "[ . 1 . 2]" 1
269 1 74 ASN HD21 1 97 VAL MG1 . . 4.780 2.544 2.020 3.407 . 0 0 "[ . 1 . 2]" 1
270 1 29 GLY H 1 30 ILE H . . 4.340 3.067 2.678 3.401 . 0 0 "[ . 1 . 2]" 1
271 1 30 ILE H 1 31 SER H . . 4.900 4.396 4.312 4.439 . 0 0 "[ . 1 . 2]" 1
272 1 30 ILE H 1 30 ILE HB . . 3.980 3.772 3.697 3.836 . 0 0 "[ . 1 . 2]" 1
273 1 28 LEU HB3 1 30 ILE H . . 4.710 4.005 3.302 4.553 . 0 0 "[ . 1 . 2]" 1
274 1 30 ILE H 1 30 ILE HG13 . . 3.840 2.167 1.921 2.632 . 0 0 "[ . 1 . 2]" 1
275 1 28 LEU QD 1 30 ILE H . . 4.850 4.458 3.824 4.661 . 0 0 "[ . 1 . 2]" 1
276 1 30 ILE H 1 30 ILE HG12 . . 3.460 3.090 2.522 3.444 . 0 0 "[ . 1 . 2]" 1
277 1 30 ILE H 1 30 ILE MD . . 4.170 3.797 3.561 4.052 . 0 0 "[ . 1 . 2]" 1
278 1 42 LYS HA 1 43 GLY H . . 3.630 2.966 2.177 3.637 0.007 8 0 "[ . 1 . 2]" 1
279 1 105 SER HA 1 106 GLY H . . 3.430 2.259 2.217 2.421 . 0 0 "[ . 1 . 2]" 1
280 1 106 GLY H 1 107 PRO QD . . 5.090 4.187 3.758 4.338 . 0 0 "[ . 1 . 2]" 1
281 1 13 GLU QG 1 102 TRP HE1 . . 4.340 4.072 3.669 4.264 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLU QG 1 102 TRP HE1 . . 4.880 4.895 4.825 4.943 0.063 13 0 "[ . 1 . 2]" 1
283 1 14 GLU HB2 1 102 TRP HE1 . . 4.180 4.173 3.986 4.313 0.133 12 0 "[ . 1 . 2]" 1
284 1 14 GLU HB3 1 102 TRP HE1 . . 4.380 3.872 3.695 4.223 . 0 0 "[ . 1 . 2]" 1
285 1 76 VAL H 1 77 ALA H . . 4.850 4.596 4.541 4.637 . 0 0 "[ . 1 . 2]" 1
286 1 77 ALA H 1 78 LEU H . . 4.760 4.476 4.417 4.509 . 0 0 "[ . 1 . 2]" 1
287 1 76 VAL MG1 1 77 ALA H . . 4.190 3.898 3.748 3.984 . 0 0 "[ . 1 . 2]" 1
288 1 47 GLY H 1 48 ILE H . . 4.690 4.513 4.430 4.564 . 0 0 "[ . 1 . 2]" 1
289 1 47 GLY H 1 49 PHE QE . . 4.140 2.991 2.415 3.416 . 0 0 "[ . 1 . 2]" 1
290 1 45 ASP HB3 1 47 GLY H . . 4.580 3.034 2.665 4.241 . 0 0 "[ . 1 . 2]" 1
291 1 46 GLU QG 1 47 GLY H . . 4.810 4.325 3.988 4.718 . 0 0 "[ . 1 . 2]" 1
292 1 46 GLU QB 1 47 GLY H . . 5.050 4.025 3.962 4.098 . 0 0 "[ . 1 . 2]" 1
293 1 102 TRP H 1 103 ARG H . . 4.930 4.372 4.269 4.443 . 0 0 "[ . 1 . 2]" 1
294 1 102 TRP HB2 1 103 ARG H . . 4.630 4.427 4.398 4.456 . 0 0 "[ . 1 . 2]" 1
295 1 15 GLU QG 1 103 ARG H . . 4.880 3.314 3.201 3.485 . 0 0 "[ . 1 . 2]" 1
296 1 103 ARG H 1 103 ARG HB3 . . 3.850 3.198 2.860 3.952 0.102 11 0 "[ . 1 . 2]" 1
297 1 103 ARG H 1 103 ARG HB2 . . 4.150 3.184 2.836 3.580 . 0 0 "[ . 1 . 2]" 1
298 1 103 ARG H 1 103 ARG QG . . 4.310 4.065 3.057 4.196 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU MD2 1 103 ARG H . . 4.870 3.668 3.314 4.137 . 0 0 "[ . 1 . 2]" 1
300 1 56 GLU H 1 57 GLY H . . 4.200 3.212 2.726 3.915 . 0 0 "[ . 1 . 2]" 1
301 1 54 SER HB3 1 57 GLY H . . 4.750 3.524 2.600 4.635 . 0 0 "[ . 1 . 2]" 1
302 1 57 GLY H 1 58 PRO HD3 . . 4.940 4.807 4.774 4.820 . 0 0 "[ . 1 . 2]" 1
303 1 57 GLY H 1 58 PRO HD2 . . 5.010 4.718 4.638 4.792 . 0 0 "[ . 1 . 2]" 1
304 1 56 GLU HB2 1 57 GLY H . . 4.940 4.573 4.359 4.748 . 0 0 "[ . 1 . 2]" 1
305 1 56 GLU HB3 1 57 GLY H . . 4.850 4.396 4.093 4.737 . 0 0 "[ . 1 . 2]" 1
306 1 22 LEU H 1 58 PRO HB2 . . 4.810 3.136 2.745 3.561 . 0 0 "[ . 1 . 2]" 1
307 1 22 LEU H 1 22 LEU QB . . 3.410 2.297 2.198 2.382 . 0 0 "[ . 1 . 2]" 1
308 1 22 LEU H 1 22 LEU QD . . 4.090 3.094 2.439 3.779 . 0 0 "[ . 1 . 2]" 1
309 1 74 ASN HD22 1 98 GLN H . . 4.680 3.390 2.524 3.891 . 0 0 "[ . 1 . 2]" 1
310 1 98 GLN H 1 98 GLN HG2 . . 4.530 4.508 4.315 4.563 0.033 5 0 "[ . 1 . 2]" 1
311 1 48 ILE MG 1 70 LEU H . . 4.490 3.586 3.340 3.857 . 0 0 "[ . 1 . 2]" 1
312 1 74 ASN H 1 98 GLN H . . 4.500 3.592 3.088 3.895 . 0 0 "[ . 1 . 2]" 1
313 1 73 VAL HA 1 74 ASN H . . 3.230 2.210 2.183 2.233 . 0 0 "[ . 1 . 2]" 1
314 1 93 ALA MB 1 94 GLY H . . 4.420 2.938 2.133 3.268 . 0 0 "[ . 1 . 2]" 1
315 1 34 GLY H 1 35 GLY H . . 5.170 4.406 4.138 4.584 . 0 0 "[ . 1 . 2]" 1
316 1 35 GLY H 1 48 ILE HA . . 4.410 3.276 2.627 4.076 . 0 0 "[ . 1 . 2]" 1
317 1 19 LEU H 1 20 THR H . . 4.880 4.526 4.434 4.586 . 0 0 "[ . 1 . 2]" 1
318 1 18 THR H 1 19 LEU H . . 4.720 4.195 3.994 4.434 . 0 0 "[ . 1 . 2]" 1
319 1 19 LEU H 1 99 MET HB2 . . 4.810 3.713 3.507 3.934 . 0 0 "[ . 1 . 2]" 1
320 1 19 LEU H 1 19 LEU HB2 . . 3.400 2.468 2.256 2.642 . 0 0 "[ . 1 . 2]" 1
321 1 19 LEU H 1 99 MET H . . 3.870 2.899 2.536 3.149 . 0 0 "[ . 1 . 2]" 1
322 1 31 SER H 1 32 ILE H . . 5.120 4.464 4.398 4.559 . 0 0 "[ . 1 . 2]" 1
323 1 32 ILE H 1 33 ALA H . . 5.190 4.514 4.444 4.563 . 0 0 "[ . 1 . 2]" 1
324 1 37 GLY H 1 46 GLU QB . . 5.020 3.961 3.046 4.851 . 0 0 "[ . 1 . 2]" 1
325 1 42 LYS HB3 1 43 GLY H . . 5.150 2.932 1.945 4.392 . 0 0 "[ . 1 . 2]" 1
326 1 44 ASP H 1 45 ASP H . . 4.050 3.664 2.594 4.009 . 0 0 "[ . 1 . 2]" 1
327 1 48 ILE H 1 69 LYS HG3 . . 5.140 3.949 3.406 4.333 . 0 0 "[ . 1 . 2]" 1
328 1 48 ILE H 1 49 PHE QE . . 5.170 4.131 3.747 4.624 . 0 0 "[ . 1 . 2]" 1
329 1 61 ARG H 1 62 ALA H . . 3.580 2.709 2.407 2.889 . 0 0 "[ . 1 . 2]" 1
330 1 66 VAL H 1 67 GLY H . . 5.060 4.635 4.511 4.663 . 0 0 "[ . 1 . 2]" 1
331 1 50 ILE H 1 67 GLY H . . 5.070 3.049 2.918 3.154 . 0 0 "[ . 1 . 2]" 1
332 1 41 TYR QE 1 67 GLY H . . 5.270 4.050 3.320 4.492 . 0 0 "[ . 1 . 2]" 1
333 1 69 LYS H 1 102 TRP H . . 4.020 2.633 2.319 3.021 . 0 0 "[ . 1 . 2]" 1
334 1 87 VAL H 1 88 GLU H . . 3.510 3.015 2.904 3.120 . 0 0 "[ . 1 . 2]" 1
335 1 91 ARG H 1 92 GLY H . . 3.720 2.752 2.483 2.932 . 0 0 "[ . 1 . 2]" 1
336 1 93 ALA H 1 94 GLY H . . 4.000 4.142 3.991 4.336 0.336 15 0 "[ . 1 . 2]" 1
337 1 99 MET H 1 100 ARG H . . 5.090 4.219 4.166 4.349 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU H 1 101 VAL H . . 3.720 3.459 3.357 3.533 . 0 0 "[ . 1 . 2]" 1
339 1 15 GLU H 1 103 ARG H . . 4.000 2.795 2.633 3.133 . 0 0 "[ . 1 . 2]" 1
340 1 15 GLU H 1 105 SER H . . 4.250 4.041 3.663 4.260 0.010 9 0 "[ . 1 . 2]" 1
341 1 87 VAL HA 1 89 ALA H . . 5.230 4.634 4.482 4.810 . 0 0 "[ . 1 . 2]" 1
342 1 88 GLU H 1 89 ALA H . . 3.360 3.002 2.883 3.153 . 0 0 "[ . 1 . 2]" 1
343 1 65 ARG H 1 103 ARG HE . . 5.480 4.620 4.036 5.452 . 0 0 "[ . 1 . 2]" 1
344 1 90 LEU H 1 91 ARG H . . 3.400 2.870 2.627 3.057 . 0 0 "[ . 1 . 2]" 1
345 1 93 ALA MB 1 97 VAL H . . 5.050 4.831 4.635 4.987 . 0 0 "[ . 1 . 2]" 1
346 1 71 LEU H 1 102 TRP H . . 4.680 4.709 4.661 4.749 0.069 9 0 "[ . 1 . 2]" 1
347 1 102 TRP HE3 1 103 ARG H . . 5.310 5.411 5.348 5.452 0.142 17 0 "[ . 1 . 2]" 1
348 1 105 SER H 1 106 GLY H . . 4.650 4.035 3.475 4.575 . 0 0 "[ . 1 . 2]" 1
349 1 36 LYS H 1 37 GLY H . . 5.500 4.481 3.512 4.670 . 0 0 "[ . 1 . 2]" 1
350 1 57 GLY HA2 1 59 ALA H . . 5.370 4.518 4.313 4.776 . 0 0 "[ . 1 . 2]" 1
351 1 63 GLY H 1 64 VAL H . . 3.180 1.937 1.865 2.095 . 0 0 "[ . 1 . 2]" 1
352 1 62 ALA H 1 64 VAL H . . 4.390 4.131 3.358 4.352 . 0 0 "[ . 1 . 2]" 1
353 1 15 GLU HB3 1 102 TRP HE1 . . 4.580 4.573 4.502 4.773 0.193 14 0 "[ . 1 . 2]" 1
354 1 15 GLU H 1 102 TRP HD1 . . 3.500 4.234 4.130 4.497 0.997 13 20 [************+-******] 1
355 1 12 ILE H 1 13 GLU H . . 4.480 4.468 4.400 4.522 0.042 12 0 "[ . 1 . 2]" 1
356 1 50 ILE MD 1 67 GLY H . . 5.500 4.671 4.615 4.726 . 0 0 "[ . 1 . 2]" 1
357 1 69 LYS H 1 101 VAL HA . . 5.220 4.501 4.161 4.826 . 0 0 "[ . 1 . 2]" 1
358 1 69 LYS H 1 101 VAL QG . . 4.550 4.125 4.019 4.253 . 0 0 "[ . 1 . 2]" 1
359 1 90 LEU H 1 92 GLY H . . 4.690 4.047 3.658 4.441 . 0 0 "[ . 1 . 2]" 1
360 1 89 ALA H 1 92 GLY H . . 4.690 4.590 4.351 4.703 0.013 6 0 "[ . 1 . 2]" 1
361 1 92 GLY H 1 93 ALA MB . . 5.130 4.172 3.962 4.308 . 0 0 "[ . 1 . 2]" 1
362 1 46 GLU H 1 47 GLY HA3 . . 5.360 5.035 4.868 5.160 . 0 0 "[ . 1 . 2]" 1
363 1 45 ASP HB2 1 46 GLU H . . 5.150 4.487 3.600 4.638 . 0 0 "[ . 1 . 2]" 1
364 1 49 PHE H 1 50 ILE H . . 4.500 4.520 4.472 4.541 0.041 8 0 "[ . 1 . 2]" 1
365 1 49 PHE QD 1 70 LEU H . . 5.500 4.584 4.312 4.888 . 0 0 "[ . 1 . 2]" 1
366 1 69 LYS HB2 1 70 LEU H . . 4.810 4.506 4.421 4.563 . 0 0 "[ . 1 . 2]" 1
367 1 70 LEU H 1 70 LEU HG . . 4.880 4.293 3.624 4.562 . 0 0 "[ . 1 . 2]" 1
368 1 42 LYS HB2 1 43 GLY H . . 5.360 3.267 2.168 4.617 . 0 0 "[ . 1 . 2]" 1
369 1 76 VAL HB 1 77 ALA H . . 4.890 4.302 4.240 4.364 . 0 0 "[ . 1 . 2]" 1
370 1 21 ILE H 1 22 LEU H . . 5.440 4.524 4.452 4.591 . 0 0 "[ . 1 . 2]" 1
371 1 65 ARG HB2 1 103 ARG HE . . 4.340 2.500 2.021 3.670 . 0 0 "[ . 1 . 2]" 1
372 1 101 VAL QG 1 103 ARG HE . . 5.040 4.483 3.580 4.928 . 0 0 "[ . 1 . 2]" 1
373 1 78 LEU H 1 79 GLN H . . 3.270 2.718 2.078 3.017 . 0 0 "[ . 1 . 2]" 1
374 1 86 ALA H 1 87 VAL H . . 3.350 2.805 2.702 2.872 . 0 0 "[ . 1 . 2]" 1
375 1 22 LEU H 1 23 ARG H . . 4.710 4.417 4.141 4.539 . 0 0 "[ . 1 . 2]" 1
376 1 21 ILE MD 1 97 VAL HB . . 3.870 3.462 3.073 3.702 . 0 0 "[ . 1 . 2]" 1
377 1 43 GLY HA2 1 45 ASP H . . 4.630 4.691 4.125 4.913 0.283 10 0 "[ . 1 . 2]" 1
378 1 21 ILE H 1 21 ILE MD . . 3.770 3.308 2.962 3.636 . 0 0 "[ . 1 . 2]" 1
379 1 20 THR HA 1 21 ILE MD . . 4.240 4.255 4.221 4.278 0.038 13 0 "[ . 1 . 2]" 1
380 1 21 ILE MD 1 59 ALA HA . . 3.200 2.911 2.563 3.191 . 0 0 "[ . 1 . 2]" 1
381 1 21 ILE MD 1 99 MET HG3 . . 4.070 2.506 2.087 3.091 . 0 0 "[ . 1 . 2]" 1
382 1 21 ILE MD 1 99 MET HG2 . . 4.520 4.044 3.644 4.529 0.009 12 0 "[ . 1 . 2]" 1
383 1 29 GLY HA2 1 58 PRO HD2 . . 4.380 3.817 3.568 4.152 . 0 0 "[ . 1 . 2]" 1
384 1 29 GLY HA3 1 58 PRO HD2 . . 4.450 2.349 2.130 2.736 . 0 0 "[ . 1 . 2]" 1
385 1 32 ILE H 1 32 ILE MD . . 4.530 3.854 3.694 4.015 . 0 0 "[ . 1 . 2]" 1
386 1 32 ILE MD 1 87 VAL H . . 3.750 3.116 2.808 3.315 . 0 0 "[ . 1 . 2]" 1
387 1 32 ILE HA 1 32 ILE MD . . 4.280 4.112 4.090 4.137 . 0 0 "[ . 1 . 2]" 1
388 1 32 ILE MD 1 87 VAL HA . . 3.550 3.225 2.759 3.544 . 0 0 "[ . 1 . 2]" 1
389 1 32 ILE HB 1 32 ILE MD . . 3.030 2.282 2.135 2.452 . 0 0 "[ . 1 . 2]" 1
390 1 30 ILE HA 1 30 ILE MD . . 4.590 4.014 3.853 4.127 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE HB 1 30 ILE MD . . 3.070 2.107 1.944 2.296 . 0 0 "[ . 1 . 2]" 1
392 1 36 LYS HG2 1 37 GLY HA2 . . 4.900 3.972 3.409 4.698 . 0 0 "[ . 1 . 2]" 1
393 1 36 LYS QB 1 80 GLY HA3 . . 4.490 4.269 3.457 4.651 0.161 3 0 "[ . 1 . 2]" 1
394 1 80 GLY HA3 1 81 ALA MB . . 4.680 4.725 4.408 4.860 0.180 1 0 "[ . 1 . 2]" 1
395 1 72 GLU QG 1 75 GLY HA3 . . 4.290 4.100 3.435 4.755 0.465 17 0 "[ . 1 . 2]" 1
396 1 75 GLY HA2 1 76 VAL MG1 . . 4.910 4.961 4.924 4.999 0.089 5 0 "[ . 1 . 2]" 1
397 1 72 GLU QG 1 75 GLY HA2 . . 4.710 2.916 2.219 3.690 . 0 0 "[ . 1 . 2]" 1
398 1 57 GLY HA3 1 58 PRO HD3 . . 3.540 2.785 2.693 2.868 . 0 0 "[ . 1 . 2]" 1
399 1 74 ASN HA 1 75 GLY HA3 . . 4.630 4.553 4.545 4.560 . 0 0 "[ . 1 . 2]" 1
400 1 57 GLY HA3 1 59 ALA H . . 4.830 3.496 3.257 3.832 . 0 0 "[ . 1 . 2]" 1
401 1 17 LEU QB 1 101 VAL H . . 4.860 3.331 3.181 3.507 . 0 0 "[ . 1 . 2]" 1
402 1 17 LEU H 1 17 LEU QB . . 3.690 2.935 2.852 3.049 . 0 0 "[ . 1 . 2]" 1
403 1 15 GLU QG 1 17 LEU QB . . 4.670 4.648 4.174 4.755 0.085 13 0 "[ . 1 . 2]" 1
404 1 17 LEU QB 1 17 LEU MD2 . . 3.070 2.125 2.091 2.237 . 0 0 "[ . 1 . 2]" 1
405 1 49 PHE QD 1 67 GLY HA2 . . 4.650 3.109 2.731 3.497 . 0 0 "[ . 1 . 2]" 1
406 1 41 TYR QE 1 67 GLY HA2 . . 3.980 2.487 2.000 2.956 . 0 0 "[ . 1 . 2]" 1
407 1 62 ALA MB 1 63 GLY HA3 . . 4.540 4.192 4.150 4.282 . 0 0 "[ . 1 . 2]" 1
408 1 19 LEU QD 1 63 GLY HA3 . . 3.880 2.666 2.084 2.970 . 0 0 "[ . 1 . 2]" 1
409 1 62 ALA MB 1 63 GLY HA2 . . 4.710 4.552 4.469 4.659 . 0 0 "[ . 1 . 2]" 1
410 1 19 LEU QD 1 63 GLY HA2 . . 4.360 3.806 3.535 4.059 . 0 0 "[ . 1 . 2]" 1
411 1 49 PHE QD 1 67 GLY HA3 . . 4.570 4.168 3.764 4.510 . 0 0 "[ . 1 . 2]" 1
412 1 41 TYR QE 1 67 GLY HA3 . . 3.850 3.448 2.931 3.982 0.132 19 0 "[ . 1 . 2]" 1
413 1 19 LEU HB3 1 19 LEU QD . . 3.120 2.233 2.003 2.520 . 0 0 "[ . 1 . 2]" 1
414 1 47 GLY HA2 1 48 ILE H . . 3.310 2.474 2.393 2.649 . 0 0 "[ . 1 . 2]" 1
415 1 47 GLY HA2 1 49 PHE QE . . 4.670 3.950 3.604 4.517 . 0 0 "[ . 1 . 2]" 1
416 1 47 GLY HA2 1 48 ILE HG12 . . 4.710 3.645 3.470 3.767 . 0 0 "[ . 1 . 2]" 1
417 1 47 GLY HA3 1 48 ILE H . . 3.460 2.778 2.590 2.876 . 0 0 "[ . 1 . 2]" 1
418 1 47 GLY HA3 1 49 PHE QE . . 4.390 2.290 2.026 2.881 . 0 0 "[ . 1 . 2]" 1
419 1 47 GLY HA3 1 48 ILE HG12 . . 5.010 4.807 4.524 4.967 . 0 0 "[ . 1 . 2]" 1
420 1 12 ILE HB 1 12 ILE MD . . 3.560 2.460 1.985 3.201 . 0 0 "[ . 1 . 2]" 1
421 1 12 ILE HA 1 12 ILE MD . . 3.840 3.334 1.952 3.866 0.026 9 0 "[ . 1 . 2]" 1
422 1 106 GLY HA2 1 107 PRO QG . . 5.040 4.120 3.835 4.613 . 0 0 "[ . 1 . 2]" 1
423 1 34 GLY HA3 1 35 GLY H . . 3.460 2.257 2.199 2.411 . 0 0 "[ . 1 . 2]" 1
424 1 34 GLY HA3 1 48 ILE HA . . 4.050 3.253 2.509 3.787 . 0 0 "[ . 1 . 2]" 1
425 1 34 GLY HA3 1 48 ILE MD . . 4.830 3.203 2.695 3.713 . 0 0 "[ . 1 . 2]" 1
426 1 34 GLY HA2 1 41 TYR H . . 4.800 3.932 2.613 4.573 . 0 0 "[ . 1 . 2]" 1
427 1 34 GLY HA2 1 35 GLY H . . 3.530 3.162 2.854 3.439 . 0 0 "[ . 1 . 2]" 1
428 1 65 ARG HA 1 65 ARG HD2 . . 4.500 4.259 3.519 4.663 0.163 12 0 "[ . 1 . 2]" 1
429 1 65 ARG HB3 1 65 ARG HD2 . . 3.700 3.220 2.640 3.893 0.193 14 0 "[ . 1 . 2]" 1
430 1 65 ARG HB2 1 65 ARG HD2 . . 3.690 2.538 2.194 3.737 0.047 4 0 "[ . 1 . 2]" 1
431 1 65 ARG HA 1 65 ARG HD3 . . 4.630 4.363 2.750 4.707 0.077 13 0 "[ . 1 . 2]" 1
432 1 65 ARG HB3 1 65 ARG HD3 . . 3.910 2.943 2.236 3.508 . 0 0 "[ . 1 . 2]" 1
433 1 65 ARG HB2 1 65 ARG HD3 . . 3.650 2.930 2.153 3.536 . 0 0 "[ . 1 . 2]" 1
434 1 65 ARG HD3 1 103 ARG HE . . 4.750 3.644 2.159 5.104 0.354 12 0 "[ . 1 . 2]" 1
435 1 35 GLY HA3 1 83 HIS H . . 4.140 3.027 2.547 3.358 . 0 0 "[ . 1 . 2]" 1
436 1 35 GLY HA3 1 36 LYS H . . 3.510 2.886 2.202 3.253 . 0 0 "[ . 1 . 2]" 1
437 1 35 GLY HA3 1 48 ILE HG12 . . 4.560 3.871 3.579 4.249 . 0 0 "[ . 1 . 2]" 1
438 1 35 GLY HA3 1 48 ILE HG13 . . 4.550 4.528 4.393 4.558 0.008 7 0 "[ . 1 . 2]" 1
439 1 35 GLY HA2 1 83 HIS H . . 4.560 4.392 3.916 4.566 0.006 16 0 "[ . 1 . 2]" 1
440 1 35 GLY HA2 1 36 LYS H . . 3.270 2.466 2.204 3.270 . 0 0 "[ . 1 . 2]" 1
441 1 35 GLY HA2 1 36 LYS QB . . 4.640 4.187 4.088 4.599 . 0 0 "[ . 1 . 2]" 1
442 1 35 GLY HA2 1 48 ILE HG13 . . 4.320 3.806 3.179 4.147 . 0 0 "[ . 1 . 2]" 1
443 1 35 GLY HA2 1 48 ILE HG12 . . 4.430 2.677 2.002 3.145 . 0 0 "[ . 1 . 2]" 1
444 1 41 TYR QD 1 49 PHE HB2 . . 4.760 3.070 2.252 3.484 . 0 0 "[ . 1 . 2]" 1
445 1 33 ALA MB 1 49 PHE HB2 . . 4.890 3.839 3.303 4.039 . 0 0 "[ . 1 . 2]" 1
446 1 49 PHE H 1 49 PHE HB3 . . 4.020 3.558 3.493 3.666 . 0 0 "[ . 1 . 2]" 1
447 1 49 PHE HB3 1 50 ILE H . . 4.500 2.776 2.553 2.880 . 0 0 "[ . 1 . 2]" 1
448 1 41 TYR QD 1 49 PHE HB3 . . 4.740 3.089 2.489 3.510 . 0 0 "[ . 1 . 2]" 1
449 1 33 ALA MB 1 49 PHE HB3 . . 4.640 4.741 4.366 4.900 0.260 11 0 "[ . 1 . 2]" 1
450 1 28 LEU HB2 1 30 ILE H . . 4.860 3.470 2.955 4.048 . 0 0 "[ . 1 . 2]" 1
451 1 28 LEU HB2 1 30 ILE HG12 . . 3.730 3.414 2.297 4.512 0.782 7 2 "[ . + 1 - . 2]" 1
452 1 28 LEU HB2 1 30 ILE MD . . 4.230 3.848 3.277 4.321 0.091 7 0 "[ . 1 . 2]" 1
453 1 28 LEU HB3 1 28 LEU QD . . 3.190 2.199 2.064 2.478 . 0 0 "[ . 1 . 2]" 1
454 1 28 LEU HB3 1 30 ILE MD . . 4.290 3.830 3.158 4.221 . 0 0 "[ . 1 . 2]" 1
455 1 88 GLU HA 1 91 ARG HD2 . . 4.370 3.678 2.300 4.373 0.003 9 0 "[ . 1 . 2]" 1
456 1 91 ARG QB 1 91 ARG HD2 . . 3.390 2.873 2.153 3.342 . 0 0 "[ . 1 . 2]" 1
457 1 87 VAL MG1 1 91 ARG HD2 . . 4.220 2.786 1.867 3.745 . 0 0 "[ . 1 . 2]" 1
458 1 87 VAL MG1 1 91 ARG HD3 . . 4.160 3.300 2.015 3.982 . 0 0 "[ . 1 . 2]" 1
459 1 58 PRO HA 1 61 ARG HD3 . . 4.580 4.069 1.976 4.474 . 0 0 "[ . 1 . 2]" 1
460 1 61 ARG HA 1 61 ARG HD3 . . 4.320 4.200 3.992 4.976 0.656 6 1 "[ .+ 1 . 2]" 1
461 1 61 ARG QB 1 61 ARG HD3 . . 3.530 2.144 2.011 2.663 . 0 0 "[ . 1 . 2]" 1
462 1 58 PRO HA 1 61 ARG HD2 . . 4.350 3.341 1.974 3.803 . 0 0 "[ . 1 . 2]" 1
463 1 91 ARG QB 1 91 ARG HD3 . . 3.180 2.398 1.961 3.051 . 0 0 "[ . 1 . 2]" 1
464 1 71 LEU MD1 1 100 ARG QD . . 4.220 2.607 1.972 3.831 . 0 0 "[ . 1 . 2]" 1
465 1 72 GLU QB 1 100 ARG QD . . 4.380 2.536 2.276 2.808 . 0 0 "[ . 1 . 2]" 1
466 1 72 GLU QG 1 100 ARG QD . . 4.290 4.118 3.851 4.199 . 0 0 "[ . 1 . 2]" 1
467 1 103 ARG HB3 1 103 ARG QD . . 3.730 2.599 2.250 3.182 . 0 0 "[ . 1 . 2]" 1
468 1 17 LEU MD1 1 103 ARG QD . . 3.760 2.939 2.379 3.550 . 0 0 "[ . 1 . 2]" 1
469 1 101 VAL QG 1 103 ARG QD . . 4.770 3.821 2.492 4.520 . 0 0 "[ . 1 . 2]" 1
470 1 48 ILE MD 1 49 PHE H . . 4.260 3.499 3.162 3.706 . 0 0 "[ . 1 . 2]" 1
471 1 48 ILE H 1 48 ILE MD . . 4.090 3.863 3.462 4.076 . 0 0 "[ . 1 . 2]" 1
472 1 35 GLY H 1 48 ILE MD . . 4.150 2.576 2.010 3.294 . 0 0 "[ . 1 . 2]" 1
473 1 48 ILE HA 1 48 ILE MD . . 3.300 2.073 1.933 2.281 . 0 0 "[ . 1 . 2]" 1
474 1 35 GLY HA3 1 48 ILE MD . . 3.480 2.302 2.097 2.502 . 0 0 "[ . 1 . 2]" 1
475 1 35 GLY HA2 1 48 ILE MD . . 3.380 2.280 1.983 2.469 . 0 0 "[ . 1 . 2]" 1
476 1 48 ILE HB 1 48 ILE MD . . 3.520 3.196 3.173 3.210 . 0 0 "[ . 1 . 2]" 1
477 1 23 ARG HD2 1 28 LEU QD . . 4.200 3.787 2.572 4.513 0.313 8 0 "[ . 1 . 2]" 1
478 1 11 ARG HA 1 11 ARG QD . . 4.160 3.738 3.022 4.160 0.000 2 0 "[ . 1 . 2]" 1
479 1 50 ILE H 1 50 ILE MD . . 3.640 3.023 2.729 3.249 . 0 0 "[ . 1 . 2]" 1
480 1 32 ILE HA 1 50 ILE MD . . 4.470 3.327 3.033 3.775 . 0 0 "[ . 1 . 2]" 1
481 1 50 ILE HA 1 50 ILE MD . . 3.200 1.975 1.887 2.102 . 0 0 "[ . 1 . 2]" 1
482 1 50 ILE MD 1 68 ASP HB2 . . 3.990 3.887 3.425 4.463 0.473 14 0 "[ . 1 . 2]" 1
483 1 50 ILE HB 1 50 ILE MD . . 3.440 3.201 3.185 3.212 . 0 0 "[ . 1 . 2]" 1
484 1 30 ILE HB 1 50 ILE MD . . 3.570 2.901 2.438 3.266 . 0 0 "[ . 1 . 2]" 1
485 1 52 ARG HA 1 52 ARG HD3 . . 4.560 3.301 2.008 4.644 0.084 18 0 "[ . 1 . 2]" 1
486 1 52 ARG HB2 1 52 ARG HD3 . . 3.760 2.935 2.260 4.135 0.375 19 0 "[ . 1 . 2]" 1
487 1 30 ILE HB 1 31 SER H . . 3.460 2.575 2.186 3.088 . 0 0 "[ . 1 . 2]" 1
488 1 45 ASP HB2 1 49 PHE QE . . 4.000 3.811 2.653 4.280 0.280 13 0 "[ . 1 . 2]" 1
489 1 45 ASP H 1 45 ASP HB3 . . 3.510 3.590 3.345 3.645 0.135 7 0 "[ . 1 . 2]" 1
490 1 45 ASP HB2 1 47 GLY H . . 4.980 3.850 2.600 4.240 . 0 0 "[ . 1 . 2]" 1
491 1 45 ASP H 1 45 ASP HB2 . . 3.630 2.615 2.376 3.466 . 0 0 "[ . 1 . 2]" 1
492 1 45 ASP HB3 1 49 PHE HZ . . 4.270 3.501 2.809 4.075 . 0 0 "[ . 1 . 2]" 1
493 1 70 LEU HB2 1 70 LEU QD . . 3.210 2.188 2.044 2.391 . 0 0 "[ . 1 . 2]" 1
494 1 70 LEU H 1 70 LEU HB2 . . 3.650 2.056 1.980 2.205 . 0 0 "[ . 1 . 2]" 1
495 1 48 ILE HB 1 70 LEU HB2 . . 4.020 3.724 3.330 4.041 0.021 12 0 "[ . 1 . 2]" 1
496 1 70 LEU H 1 70 LEU HB3 . . 3.530 2.951 2.694 3.138 . 0 0 "[ . 1 . 2]" 1
497 1 48 ILE HB 1 70 LEU HB3 . . 4.030 2.869 2.278 3.299 . 0 0 "[ . 1 . 2]" 1
498 1 32 ILE HB 1 33 ALA H . . 3.480 2.582 2.416 2.764 . 0 0 "[ . 1 . 2]" 1
499 1 78 LEU H 1 78 LEU HB3 . . 3.880 3.619 3.526 3.701 . 0 0 "[ . 1 . 2]" 1
500 1 78 LEU HB3 1 78 LEU MD1 . . 3.320 2.298 2.167 2.401 . 0 0 "[ . 1 . 2]" 1
501 1 78 LEU HB3 1 78 LEU MD2 . . 3.460 2.491 2.392 2.540 . 0 0 "[ . 1 . 2]" 1
502 1 78 LEU HB2 1 78 LEU MD1 . . 3.370 2.432 2.329 2.538 . 0 0 "[ . 1 . 2]" 1
503 1 36 LYS QE 1 82 GLU QG . . 4.420 3.221 1.790 4.386 . 0 0 "[ . 1 . 2]" 1
504 1 36 LYS QB 1 36 LYS QE . . 3.900 2.196 1.961 2.630 . 0 0 "[ . 1 . 2]" 1
505 1 42 LYS QE 1 49 PHE QE . . 3.870 2.975 2.155 3.756 . 0 0 "[ . 1 . 2]" 1
506 1 41 TYR QE 1 42 LYS QE . . 4.440 3.285 2.257 4.323 . 0 0 "[ . 1 . 2]" 1
507 1 41 TYR QD 1 42 LYS QE . . 4.550 3.601 1.989 4.514 . 0 0 "[ . 1 . 2]" 1
508 1 42 LYS HB2 1 42 LYS QE . . 4.090 3.583 2.657 4.025 . 0 0 "[ . 1 . 2]" 1
509 1 42 LYS HB3 1 42 LYS QE . . 4.020 3.491 2.446 4.038 0.018 11 0 "[ . 1 . 2]" 1
510 1 42 LYS QE 1 42 LYS HG2 . . 3.460 2.504 1.954 3.277 . 0 0 "[ . 1 . 2]" 1
511 1 42 LYS QE 1 42 LYS HG3 . . 3.440 2.543 1.958 3.304 . 0 0 "[ . 1 . 2]" 1
512 1 47 GLY H 1 69 LYS QE . . 4.540 4.358 3.860 4.527 . 0 0 "[ . 1 . 2]" 1
513 1 69 LYS QE 1 102 TRP HE3 . . 4.550 4.026 3.776 4.204 . 0 0 "[ . 1 . 2]" 1
514 1 49 PHE QE 1 69 LYS QE . . 3.770 2.740 2.140 3.281 . 0 0 "[ . 1 . 2]" 1
515 1 69 LYS QE 1 102 TRP HZ3 . . 4.570 4.466 4.178 4.586 0.016 3 0 "[ . 1 . 2]" 1
516 1 47 GLY HA2 1 69 LYS QE . . 3.960 3.914 3.775 3.970 0.010 11 0 "[ . 1 . 2]" 1
517 1 47 GLY HA3 1 69 LYS QE . . 3.560 2.616 2.388 2.805 . 0 0 "[ . 1 . 2]" 1
518 1 69 LYS HB3 1 69 LYS QE . . 4.230 4.144 4.065 4.223 . 0 0 "[ . 1 . 2]" 1
519 1 69 LYS HB2 1 69 LYS QE . . 3.970 3.913 3.804 3.979 0.009 12 0 "[ . 1 . 2]" 1
520 1 69 LYS QE 1 69 LYS HG2 . . 3.550 2.861 2.537 3.093 . 0 0 "[ . 1 . 2]" 1
521 1 69 LYS QE 1 71 LEU MD2 . . 3.490 3.443 3.044 3.499 0.009 9 0 "[ . 1 . 2]" 1
522 1 69 LYS QE 1 69 LYS HG3 . . 3.560 2.271 2.119 2.441 . 0 0 "[ . 1 . 2]" 1
523 1 90 LEU HB2 1 91 ARG H . . 3.930 2.614 2.358 2.685 . 0 0 "[ . 1 . 2]" 1
524 1 28 LEU QD 1 90 LEU HB3 . . 4.000 3.320 2.537 3.923 . 0 0 "[ . 1 . 2]" 1
525 1 90 LEU H 1 90 LEU HB3 . . 3.740 3.498 3.468 3.532 . 0 0 "[ . 1 . 2]" 1
526 1 21 ILE HA 1 22 LEU QB . . 4.680 4.143 3.918 4.311 . 0 0 "[ . 1 . 2]" 1
527 1 68 ASP HB2 1 101 VAL QG . . 3.820 3.153 2.685 3.471 . 0 0 "[ . 1 . 2]" 1
528 1 68 ASP HB2 1 69 LYS H . . 4.750 4.400 3.776 4.591 . 0 0 "[ . 1 . 2]" 1
529 1 65 ARG H 1 68 ASP HB2 . . 4.820 3.344 3.098 3.693 . 0 0 "[ . 1 . 2]" 1
530 1 68 ASP H 1 68 ASP HB2 . . 3.530 2.188 2.009 3.079 . 0 0 "[ . 1 . 2]" 1
531 1 68 ASP HB2 1 101 VAL HB . . 3.840 3.606 2.485 3.854 0.014 12 0 "[ . 1 . 2]" 1
532 1 68 ASP H 1 68 ASP HB3 . . 3.740 3.231 2.036 3.541 . 0 0 "[ . 1 . 2]" 1
533 1 68 ASP HB3 1 101 VAL HB . . 3.540 2.337 1.994 3.899 0.359 14 0 "[ . 1 . 2]" 1
534 1 50 ILE HG12 1 68 ASP HB3 . . 4.400 2.713 2.224 3.280 . 0 0 "[ . 1 . 2]" 1
535 1 50 ILE HG13 1 68 ASP HB3 . . 4.340 3.266 1.970 3.786 . 0 0 "[ . 1 . 2]" 1
536 1 50 ILE MD 1 68 ASP HB3 . . 4.300 3.935 3.433 4.369 0.069 11 0 "[ . 1 . 2]" 1
537 1 21 ILE H 1 21 ILE HB . . 3.530 2.570 2.446 2.714 . 0 0 "[ . 1 . 2]" 1
538 1 20 THR HA 1 21 ILE HB . . 4.820 4.579 4.506 4.699 . 0 0 "[ . 1 . 2]" 1
539 1 21 ILE HB 1 21 ILE MD . . 3.200 2.158 2.101 2.209 . 0 0 "[ . 1 . 2]" 1
540 1 41 TYR H 1 41 TYR HB2 . . 3.980 2.646 2.304 3.062 . 0 0 "[ . 1 . 2]" 1
541 1 41 TYR HB2 1 49 PHE QD . . 4.310 4.282 4.141 4.326 0.016 8 0 "[ . 1 . 2]" 1
542 1 41 TYR HB2 1 49 PHE HB3 . . 4.620 4.195 3.675 4.870 0.250 11 0 "[ . 1 . 2]" 1
543 1 41 TYR H 1 41 TYR HB3 . . 3.960 2.213 2.114 2.337 . 0 0 "[ . 1 . 2]" 1
544 1 41 TYR HB3 1 49 PHE HB3 . . 4.750 3.530 3.020 4.055 . 0 0 "[ . 1 . 2]" 1
545 1 41 TYR HB3 1 49 PHE QD . . 4.140 3.365 3.081 3.516 . 0 0 "[ . 1 . 2]" 1
546 1 12 ILE HB 1 13 GLU H . . 4.370 4.196 4.008 4.307 . 0 0 "[ . 1 . 2]" 1
547 1 19 LEU HA 1 20 THR HB . . 4.650 4.655 4.523 4.701 0.051 13 0 "[ . 1 . 2]" 1
548 1 20 THR HB 1 21 ILE H . . 4.640 4.261 4.079 4.448 . 0 0 "[ . 1 . 2]" 1
549 1 20 THR H 1 20 THR HB . . 3.350 2.794 2.659 2.866 . 0 0 "[ . 1 . 2]" 1
550 1 39 THR HB 1 40 PRO HD2 . . 4.380 4.208 4.095 4.356 . 0 0 "[ . 1 . 2]" 1
551 1 82 GLU QG 1 83 HIS H . . 4.660 3.746 3.132 4.219 . 0 0 "[ . 1 . 2]" 1
552 1 36 LYS QB 1 82 GLU QG . . 3.440 1.994 1.838 2.307 . 0 0 "[ . 1 . 2]" 1
553 1 18 THR HB 1 100 ARG HA . . 4.890 4.820 4.429 4.952 0.062 3 0 "[ . 1 . 2]" 1
554 1 85 GLU H 1 85 GLU HG2 . . 3.790 2.739 2.605 2.863 . 0 0 "[ . 1 . 2]" 1
555 1 81 ALA MB 1 85 GLU HG2 . . 4.410 4.219 3.775 4.415 0.005 11 0 "[ . 1 . 2]" 1
556 1 82 GLU H 1 85 GLU HG2 . . 4.680 4.035 3.663 4.409 . 0 0 "[ . 1 . 2]" 1
557 1 82 GLU H 1 85 GLU HG3 . . 4.290 2.381 1.992 2.744 . 0 0 "[ . 1 . 2]" 1
558 1 85 GLU H 1 85 GLU HG3 . . 3.500 2.561 2.355 2.701 . 0 0 "[ . 1 . 2]" 1
559 1 81 ALA MB 1 85 GLU HG3 . . 4.470 3.583 3.260 3.765 . 0 0 "[ . 1 . 2]" 1
560 1 18 THR HB 1 19 LEU H . . 4.290 4.310 4.128 4.385 0.095 20 0 "[ . 1 . 2]" 1
561 1 18 THR H 1 18 THR HB . . 3.270 2.796 2.569 2.953 . 0 0 "[ . 1 . 2]" 1
562 1 16 GLU HG3 1 17 LEU H . . 4.330 4.171 3.650 4.360 0.030 12 0 "[ . 1 . 2]" 1
563 1 16 GLU H 1 16 GLU HG3 . . 4.080 3.221 3.084 3.726 . 0 0 "[ . 1 . 2]" 1
564 1 16 GLU HG3 1 102 TRP HD1 . . 4.030 1.969 1.948 1.991 . 0 0 "[ . 1 . 2]" 1
565 1 16 GLU HA 1 16 GLU HG3 . . 3.740 2.205 2.031 2.317 . 0 0 "[ . 1 . 2]" 1
566 1 16 GLU HG2 1 17 LEU H . . 4.220 4.172 3.933 4.305 0.085 13 0 "[ . 1 . 2]" 1
567 1 16 GLU H 1 16 GLU HG2 . . 4.220 4.300 4.252 4.435 0.215 13 0 "[ . 1 . 2]" 1
568 1 16 GLU HG2 1 102 TRP HD1 . . 4.100 3.512 3.309 3.696 . 0 0 "[ . 1 . 2]" 1
569 1 16 GLU HA 1 16 GLU HG2 . . 3.700 2.992 2.733 3.299 . 0 0 "[ . 1 . 2]" 1
570 1 48 ILE HA 1 49 PHE QD . . 4.320 3.123 2.798 3.303 . 0 0 "[ . 1 . 2]" 1
571 1 49 PHE H 1 49 PHE QD . . 3.950 2.493 2.356 2.793 . 0 0 "[ . 1 . 2]" 1
572 1 41 TYR QD 1 49 PHE QD . . 4.470 3.043 2.496 3.621 . 0 0 "[ . 1 . 2]" 1
573 1 49 PHE QD 1 69 LYS HB2 . . 4.590 3.338 2.943 3.600 . 0 0 "[ . 1 . 2]" 1
574 1 23 ARG QB 1 95 THR HB . . 4.730 4.063 3.521 4.754 0.024 8 0 "[ . 1 . 2]" 1
575 1 74 ASN HB3 1 74 ASN HD21 . . 3.550 3.446 2.407 3.568 0.018 7 0 "[ . 1 . 2]" 1
576 1 73 VAL MG1 1 74 ASN HB3 . . 4.110 3.904 3.746 4.198 0.088 11 0 "[ . 1 . 2]" 1
577 1 74 ASN HB2 1 74 ASN HD21 . . 3.610 2.386 2.169 3.549 . 0 0 "[ . 1 . 2]" 1
578 1 74 ASN HB2 1 76 VAL MG1 . . 4.610 3.456 3.255 3.566 . 0 0 "[ . 1 . 2]" 1
579 1 36 LYS HA 1 46 GLU QG . . 4.300 3.676 2.322 4.287 . 0 0 "[ . 1 . 2]" 1
580 1 55 GLU QG 1 60 ALA MB . . 4.450 4.071 3.624 4.388 . 0 0 "[ . 1 . 2]" 1
581 1 48 ILE HB 1 70 LEU H . . 4.470 4.185 3.976 4.446 . 0 0 "[ . 1 . 2]" 1
582 1 48 ILE H 1 48 ILE HB . . 3.430 2.327 2.282 2.467 . 0 0 "[ . 1 . 2]" 1
583 1 48 ILE HB 1 86 ALA MB . . 4.330 3.798 3.547 4.016 . 0 0 "[ . 1 . 2]" 1
584 1 14 GLU H 1 14 GLU QG . . 3.190 2.662 2.107 3.157 . 0 0 "[ . 1 . 2]" 1
585 1 13 GLU QG 1 102 TRP HZ2 . . 3.970 2.940 2.322 3.308 . 0 0 "[ . 1 . 2]" 1
586 1 15 GLU H 1 15 GLU QG . . 3.560 2.030 1.878 2.434 . 0 0 "[ . 1 . 2]" 1
587 1 15 GLU QG 1 16 GLU H . . 4.130 3.718 2.822 3.916 . 0 0 "[ . 1 . 2]" 1
588 1 15 GLU QG 1 17 LEU HG . . 4.020 3.212 2.735 3.545 . 0 0 "[ . 1 . 2]" 1
589 1 72 GLU QG 1 75 GLY H . . 3.970 3.090 2.153 3.897 . 0 0 "[ . 1 . 2]" 1
590 1 72 GLU QG 1 73 VAL H . . 3.670 2.548 1.974 3.105 . 0 0 "[ . 1 . 2]" 1
591 1 72 GLU QG 1 78 LEU H . . 4.610 3.553 3.044 4.378 . 0 0 "[ . 1 . 2]" 1
592 1 99 MET H 1 99 MET HB3 . . 3.940 3.704 3.641 3.826 . 0 0 "[ . 1 . 2]" 1
593 1 19 LEU H 1 99 MET HB3 . . 4.940 4.559 4.303 4.939 . 0 0 "[ . 1 . 2]" 1
594 1 99 MET HB3 1 100 ARG H . . 4.090 3.569 3.407 3.677 . 0 0 "[ . 1 . 2]" 1
595 1 73 VAL MG2 1 99 MET HB3 . . 3.530 3.015 2.533 3.399 . 0 0 "[ . 1 . 2]" 1
596 1 56 GLU HA 1 56 GLU HG2 . . 3.860 2.873 2.242 3.695 . 0 0 "[ . 1 . 2]" 1
597 1 13 GLU HA 1 13 GLU QG . . 3.740 3.318 3.300 3.333 . 0 0 "[ . 1 . 2]" 1
598 1 56 GLU HA 1 56 GLU HG3 . . 3.800 2.519 2.017 3.886 0.086 7 0 "[ . 1 . 2]" 1
599 1 101 VAL HB 1 102 TRP H . . 3.450 2.596 2.357 2.804 . 0 0 "[ . 1 . 2]" 1
600 1 69 LYS H 1 101 VAL HB . . 4.550 3.565 3.399 3.810 . 0 0 "[ . 1 . 2]" 1
601 1 70 LEU HA 1 101 VAL HB . . 4.760 3.767 3.450 4.091 . 0 0 "[ . 1 . 2]" 1
602 1 85 GLU HA 1 88 GLU QG . . 4.400 4.260 3.874 4.407 0.007 6 0 "[ . 1 . 2]" 1
603 1 88 GLU H 1 88 GLU QG . . 3.440 3.391 3.173 3.446 0.006 3 0 "[ . 1 . 2]" 1
604 1 50 ILE HB 1 67 GLY H . . 4.100 1.949 1.922 1.993 . 0 0 "[ . 1 . 2]" 1
605 1 50 ILE H 1 50 ILE HB . . 3.490 2.389 2.292 2.488 . 0 0 "[ . 1 . 2]" 1
606 1 50 ILE HB 1 68 ASP H . . 3.820 2.378 1.970 2.766 . 0 0 "[ . 1 . 2]" 1
607 1 50 ILE HB 1 68 ASP HB2 . . 4.090 3.204 2.838 4.888 0.798 19 2 "[ . 1 -. +2]" 1
608 1 50 ILE HB 1 64 VAL MG2 . . 4.690 4.211 3.984 4.361 . 0 0 "[ . 1 . 2]" 1
609 1 69 LYS HB3 1 102 TRP H . . 4.410 3.152 2.962 3.256 . 0 0 "[ . 1 . 2]" 1
610 1 69 LYS H 1 69 LYS HB3 . . 3.810 2.334 2.277 2.412 . 0 0 "[ . 1 . 2]" 1
611 1 69 LYS HB3 1 102 TRP HB3 . . 3.670 2.055 1.972 2.281 . 0 0 "[ . 1 . 2]" 1
612 1 49 PHE QE 1 69 LYS HB3 . . 4.710 3.928 3.710 4.099 . 0 0 "[ . 1 . 2]" 1
613 1 69 LYS HB2 1 102 TRP H . . 4.630 4.578 4.472 4.639 0.009 20 0 "[ . 1 . 2]" 1
614 1 69 LYS H 1 69 LYS HB2 . . 3.800 2.867 2.703 3.056 . 0 0 "[ . 1 . 2]" 1
615 1 69 LYS HB2 1 102 TRP HE3 . . 4.140 3.593 3.405 3.734 . 0 0 "[ . 1 . 2]" 1
616 1 49 PHE QE 1 69 LYS HB2 . . 4.040 2.566 2.142 2.820 . 0 0 "[ . 1 . 2]" 1
617 1 69 LYS HB2 1 102 TRP HB3 . . 3.990 3.773 3.640 3.995 0.005 5 0 "[ . 1 . 2]" 1
618 1 69 LYS HB2 1 69 LYS HD2 . . 3.850 2.545 2.438 2.648 . 0 0 "[ . 1 . 2]" 1
619 1 69 LYS HB2 1 71 LEU MD2 . . 4.700 4.331 4.145 4.448 . 0 0 "[ . 1 . 2]" 1
620 1 41 TYR QD 1 42 LYS HB2 . . 4.460 3.178 2.259 4.167 . 0 0 "[ . 1 . 2]" 1
621 1 41 TYR QD 1 42 LYS HB3 . . 4.330 4.003 2.227 4.450 0.120 4 0 "[ . 1 . 2]" 1
622 1 72 GLU QB 1 77 ALA HA . . 4.380 3.467 2.151 4.064 . 0 0 "[ . 1 . 2]" 1
623 1 71 LEU QB 1 72 GLU QB . . 4.510 3.238 3.175 3.317 . 0 0 "[ . 1 . 2]" 1
624 1 73 VAL H 1 73 VAL HB . . 3.540 2.713 2.622 2.789 . 0 0 "[ . 1 . 2]" 1
625 1 73 VAL HB 1 78 LEU MD1 . . 3.710 2.141 1.949 2.386 . 0 0 "[ . 1 . 2]" 1
626 1 72 GLU HA 1 73 VAL HB . . 4.920 4.172 4.015 4.386 . 0 0 "[ . 1 . 2]" 1
627 1 87 VAL HA 1 91 ARG H . . 4.750 3.940 3.472 4.354 . 0 0 "[ . 1 . 2]" 1
628 1 87 VAL HA 1 90 LEU H . . 3.990 3.439 3.136 3.650 . 0 0 "[ . 1 . 2]" 1
629 1 87 VAL HA 1 90 LEU HB2 . . 3.660 2.478 1.989 2.869 . 0 0 "[ . 1 . 2]" 1
630 1 87 VAL HA 1 90 LEU HG . . 4.400 3.966 3.561 4.287 . 0 0 "[ . 1 . 2]" 1
631 1 87 VAL HA 1 90 LEU HB3 . . 4.480 4.038 3.525 4.500 0.020 14 0 "[ . 1 . 2]" 1
632 1 86 ALA MB 1 87 VAL HA . . 4.340 3.637 3.610 3.678 . 0 0 "[ . 1 . 2]" 1
633 1 87 VAL HA 1 87 VAL MG2 . . 2.800 2.270 2.162 2.377 . 0 0 "[ . 1 . 2]" 1
634 1 87 VAL HA 1 90 LEU MD1 . . 3.360 2.397 1.954 2.784 . 0 0 "[ . 1 . 2]" 1
635 1 53 VAL H 1 53 VAL HB . . 3.600 2.547 2.330 2.615 . 0 0 "[ . 1 . 2]" 1
636 1 53 VAL HB 1 66 VAL H . . 4.880 3.620 3.215 4.049 . 0 0 "[ . 1 . 2]" 1
637 1 53 VAL HB 1 66 VAL MG2 . . 3.770 2.080 1.936 2.598 . 0 0 "[ . 1 . 2]" 1
638 1 49 PHE QE 1 69 LYS HD3 . . 4.990 4.435 3.993 4.624 . 0 0 "[ . 1 . 2]" 1
639 1 98 GLN HA 1 98 GLN HG2 . . 3.560 2.611 2.395 3.321 . 0 0 "[ . 1 . 2]" 1
640 1 98 GLN HG3 1 99 MET H . . 4.120 3.727 2.491 3.979 . 0 0 "[ . 1 . 2]" 1
641 1 98 GLN H 1 98 GLN HG3 . . 4.220 4.256 4.167 4.604 0.384 13 0 "[ . 1 . 2]" 1
642 1 98 GLN HA 1 98 GLN HG3 . . 3.750 2.464 2.322 2.589 . 0 0 "[ . 1 . 2]" 1
643 1 65 ARG H 1 65 ARG HB3 . . 4.070 3.765 3.596 3.836 . 0 0 "[ . 1 . 2]" 1
644 1 52 ARG HB2 1 66 VAL MG2 . . 4.570 4.480 4.176 4.616 0.046 10 0 "[ . 1 . 2]" 1
645 1 31 SER H 1 52 ARG HB3 . . 4.380 3.352 3.142 3.670 . 0 0 "[ . 1 . 2]" 1
646 1 52 ARG HB3 1 52 ARG HD3 . . 4.130 3.442 2.275 3.760 . 0 0 "[ . 1 . 2]" 1
647 1 71 LEU HA 1 79 GLN QG . . 4.380 3.439 2.576 4.185 . 0 0 "[ . 1 . 2]" 1
648 1 103 ARG HB3 1 103 ARG HE . . 4.150 3.816 2.679 4.178 0.028 4 0 "[ . 1 . 2]" 1
649 1 103 ARG HB3 1 104 GLU H . . 4.610 3.427 2.617 4.046 . 0 0 "[ . 1 . 2]" 1
650 1 17 LEU MD2 1 103 ARG HB3 . . 4.770 3.765 3.232 4.804 0.034 11 0 "[ . 1 . 2]" 1
651 1 17 LEU MD1 1 103 ARG HB3 . . 4.470 1.941 1.757 3.158 . 0 0 "[ . 1 . 2]" 1
652 1 103 ARG HB2 1 103 ARG HE . . 4.150 3.418 2.038 4.176 0.026 6 0 "[ . 1 . 2]" 1
653 1 101 VAL QG 1 103 ARG HB2 . . 4.470 3.520 3.159 4.023 . 0 0 "[ . 1 . 2]" 1
654 1 17 LEU MD1 1 103 ARG HB2 . . 4.480 2.246 1.758 3.130 . 0 0 "[ . 1 . 2]" 1
655 1 31 SER HB2 1 32 ILE H . . 4.410 4.238 3.930 4.431 0.021 6 0 "[ . 1 . 2]" 1
656 1 31 SER H 1 31 SER HB2 . . 3.940 2.480 2.189 3.203 . 0 0 "[ . 1 . 2]" 1
657 1 21 ILE H 1 97 VAL HB . . 3.970 3.258 2.979 3.415 . 0 0 "[ . 1 . 2]" 1
658 1 97 VAL H 1 97 VAL HB . . 3.450 2.399 2.296 2.518 . 0 0 "[ . 1 . 2]" 1
659 1 21 ILE HB 1 97 VAL HB . . 3.230 2.510 2.288 2.785 . 0 0 "[ . 1 . 2]" 1
660 1 93 ALA MB 1 97 VAL HB . . 4.390 3.901 3.754 4.133 . 0 0 "[ . 1 . 2]" 1
661 1 71 LEU MD1 1 100 ARG HB2 . . 4.680 4.685 4.599 4.738 0.058 14 0 "[ . 1 . 2]" 1
662 1 31 SER HB3 1 32 ILE H . . 3.920 3.157 2.612 4.132 0.212 13 0 "[ . 1 . 2]" 1
663 1 31 SER HB3 1 52 ARG H . . 4.370 3.170 2.289 3.500 . 0 0 "[ . 1 . 2]" 1
664 1 31 SER HB3 1 52 ARG HB2 . . 4.090 3.629 2.870 3.915 . 0 0 "[ . 1 . 2]" 1
665 1 31 SER HB3 1 52 ARG HB3 . . 3.880 3.607 1.996 4.111 0.231 10 0 "[ . 1 . 2]" 1
666 1 31 SER HB2 1 52 ARG H . . 4.000 2.425 2.000 3.956 . 0 0 "[ . 1 . 2]" 1
667 1 31 SER HB2 1 52 ARG HB2 . . 3.720 2.735 1.989 3.942 0.222 13 0 "[ . 1 . 2]" 1
668 1 31 SER HB2 1 52 ARG HB3 . . 3.540 2.193 1.982 2.766 . 0 0 "[ . 1 . 2]" 1
669 1 31 SER HB2 1 52 ARG HG2 . . 4.630 4.494 4.134 4.744 0.114 13 0 "[ . 1 . 2]" 1
670 1 18 THR HA 1 100 ARG HB2 . . 4.890 3.954 3.763 4.290 . 0 0 "[ . 1 . 2]" 1
671 1 100 ARG HB2 1 101 VAL H . . 4.680 4.599 4.561 4.664 . 0 0 "[ . 1 . 2]" 1
672 1 100 ARG H 1 100 ARG HB2 . . 3.900 2.553 2.329 2.693 . 0 0 "[ . 1 . 2]" 1
673 1 18 THR MG 1 100 ARG HB2 . . 4.630 3.078 2.510 3.710 . 0 0 "[ . 1 . 2]" 1
674 1 58 PRO HA 1 62 ALA H . . 4.710 4.375 4.153 4.625 . 0 0 "[ . 1 . 2]" 1
675 1 58 PRO HA 1 61 ARG QB . . 3.130 2.947 1.940 3.140 0.010 13 0 "[ . 1 . 2]" 1
676 1 58 PRO HA 1 61 ARG HG3 . . 4.200 2.796 2.523 4.580 0.380 6 0 "[ . 1 . 2]" 1
677 1 58 PRO HA 1 61 ARG H . . 4.220 3.426 3.171 3.545 . 0 0 "[ . 1 . 2]" 1
678 1 66 VAL HA 1 67 GLY H . . 2.810 2.260 2.183 2.315 . 0 0 "[ . 1 . 2]" 1
679 1 66 VAL HA 1 68 ASP H . . 4.100 3.203 3.111 3.352 . 0 0 "[ . 1 . 2]" 1
680 1 66 VAL HA 1 67 GLY HA2 . . 4.430 4.469 4.383 4.515 0.085 20 0 "[ . 1 . 2]" 1
681 1 50 ILE HB 1 66 VAL HA . . 3.830 2.223 1.997 2.687 . 0 0 "[ . 1 . 2]" 1
682 1 66 VAL HA 1 66 VAL MG2 . . 2.940 2.264 2.174 2.373 . 0 0 "[ . 1 . 2]" 1
683 1 53 VAL MG2 1 66 VAL HA . . 3.680 2.743 2.479 2.954 . 0 0 "[ . 1 . 2]" 1
684 1 41 TYR QE 1 51 SER HB2 . . 3.860 3.374 2.771 3.834 . 0 0 "[ . 1 . 2]" 1
685 1 33 ALA MB 1 51 SER HB2 . . 3.600 2.124 1.784 2.681 . 0 0 "[ . 1 . 2]" 1
686 1 33 ALA MB 1 51 SER HB3 . . 3.360 2.923 1.774 3.285 . 0 0 "[ . 1 . 2]" 1
687 1 33 ALA H 1 51 SER HB3 . . 4.760 4.306 3.427 4.724 . 0 0 "[ . 1 . 2]" 1
688 1 51 SER H 1 51 SER HB3 . . 4.030 2.264 2.103 2.746 . 0 0 "[ . 1 . 2]" 1
689 1 40 PRO HB2 1 41 TYR H . . 4.410 3.007 2.246 3.764 . 0 0 "[ . 1 . 2]" 1
690 1 40 PRO HB2 1 45 ASP H . . 4.370 2.838 2.053 4.097 . 0 0 "[ . 1 . 2]" 1
691 1 40 PRO HB2 1 42 LYS H . . 4.290 2.865 2.467 3.193 . 0 0 "[ . 1 . 2]" 1
692 1 40 PRO HB3 1 41 TYR H . . 4.630 3.572 3.195 4.051 . 0 0 "[ . 1 . 2]" 1
693 1 40 PRO HB3 1 45 ASP H . . 4.650 2.693 2.189 4.248 . 0 0 "[ . 1 . 2]" 1
694 1 40 PRO HB3 1 42 LYS H . . 4.210 4.148 3.897 4.286 0.076 7 0 "[ . 1 . 2]" 1
695 1 35 GLY HA3 1 38 SER HB3 . . 4.700 4.521 3.316 5.304 0.604 19 2 "[ . 1 - . +2]" 1
696 1 71 LEU MD1 1 102 TRP HB3 . . 4.000 3.373 3.289 3.451 . 0 0 "[ . 1 . 2]" 1
697 1 71 LEU MD2 1 102 TRP HB3 . . 4.340 2.686 2.440 2.826 . 0 0 "[ . 1 . 2]" 1
698 1 102 TRP H 1 102 TRP HB2 . . 3.920 2.816 2.662 2.985 . 0 0 "[ . 1 . 2]" 1
699 1 69 LYS HB3 1 102 TRP HB2 . . 3.870 3.487 3.330 3.810 . 0 0 "[ . 1 . 2]" 1
700 1 71 LEU HG 1 102 TRP HB2 . . 4.240 2.644 2.478 2.949 . 0 0 "[ . 1 . 2]" 1
701 1 22 LEU H 1 58 PRO HB3 . . 4.810 3.944 3.562 4.229 . 0 0 "[ . 1 . 2]" 1
702 1 58 PRO HB3 1 59 ALA H . . 4.580 4.223 4.056 4.346 . 0 0 "[ . 1 . 2]" 1
703 1 58 PRO HB2 1 59 ALA HA . . 4.750 4.076 3.967 4.158 . 0 0 "[ . 1 . 2]" 1
704 1 15 GLU HB2 1 102 TRP HE1 . . 4.650 4.654 4.480 4.705 0.055 17 0 "[ . 1 . 2]" 1
705 1 15 GLU H 1 15 GLU HB2 . . 3.950 3.690 3.643 3.792 . 0 0 "[ . 1 . 2]" 1
706 1 15 GLU HB2 1 16 GLU H . . 4.160 2.415 2.298 2.630 . 0 0 "[ . 1 . 2]" 1
707 1 23 ARG H 1 95 THR HA . . 3.990 2.500 1.940 3.127 . 0 0 "[ . 1 . 2]" 1
708 1 22 LEU HA 1 95 THR HA . . 4.770 4.315 3.829 4.748 . 0 0 "[ . 1 . 2]" 1
709 1 95 THR HA 1 95 THR HB . . 2.990 2.746 2.338 3.065 0.075 12 0 "[ . 1 . 2]" 1
710 1 23 ARG QB 1 95 THR HA . . 3.440 1.827 1.768 1.987 . 0 0 "[ . 1 . 2]" 1
711 1 95 THR HA 1 95 THR MG . . 3.130 2.489 2.120 3.199 0.069 16 0 "[ . 1 . 2]" 1
712 1 105 SER H 1 105 SER QB . . 3.320 2.588 2.199 2.960 . 0 0 "[ . 1 . 2]" 1
713 1 105 SER QB 1 106 GLY H . . 4.170 3.808 2.931 4.121 . 0 0 "[ . 1 . 2]" 1
714 1 82 GLU H 1 82 GLU HB2 . . 3.920 2.334 2.115 2.536 . 0 0 "[ . 1 . 2]" 1
715 1 87 VAL HB 1 88 GLU H . . 3.460 2.409 2.332 2.472 . 0 0 "[ . 1 . 2]" 1
716 1 87 VAL H 1 87 VAL HB . . 3.280 2.401 2.320 2.493 . 0 0 "[ . 1 . 2]" 1
717 1 16 GLU HB3 1 102 TRP HD1 . . 4.340 4.179 3.979 4.220 . 0 0 "[ . 1 . 2]" 1
718 1 16 GLU HB2 1 102 TRP HD1 . . 4.610 3.984 3.497 4.091 . 0 0 "[ . 1 . 2]" 1
719 1 16 GLU H 1 16 GLU HB2 . . 3.630 2.218 2.157 2.260 . 0 0 "[ . 1 . 2]" 1
720 1 82 GLU HB3 1 83 HIS H . . 4.570 2.445 2.001 2.951 . 0 0 "[ . 1 . 2]" 1
721 1 82 GLU HB3 1 85 GLU H . . 4.420 3.599 2.837 3.969 . 0 0 "[ . 1 . 2]" 1
722 1 99 MET H 1 99 MET HG3 . . 4.050 3.481 3.249 3.745 . 0 0 "[ . 1 . 2]" 1
723 1 99 MET HA 1 99 MET HG3 . . 4.000 3.386 3.159 3.490 . 0 0 "[ . 1 . 2]" 1
724 1 99 MET ME 1 99 MET HG3 . . 3.770 2.208 2.037 2.455 . 0 0 "[ . 1 . 2]" 1
725 1 97 VAL MG1 1 99 MET HG3 . . 3.300 2.477 2.249 2.954 . 0 0 "[ . 1 . 2]" 1
726 1 99 MET H 1 99 MET HG2 . . 4.080 3.745 3.564 4.034 . 0 0 "[ . 1 . 2]" 1
727 1 99 MET ME 1 99 MET HG2 . . 3.780 3.232 3.006 3.364 . 0 0 "[ . 1 . 2]" 1
728 1 97 VAL MG1 1 99 MET HG2 . . 3.330 2.926 2.685 3.231 . 0 0 "[ . 1 . 2]" 1
729 1 59 ALA HA 1 64 VAL HB . . 4.200 3.816 3.641 3.949 . 0 0 "[ . 1 . 2]" 1
730 1 53 VAL MG2 1 64 VAL HB . . 4.100 4.023 3.940 4.107 0.007 7 0 "[ . 1 . 2]" 1
731 1 23 ARG QB 1 28 LEU QD . . 4.060 3.667 2.477 4.033 . 0 0 "[ . 1 . 2]" 1
732 1 25 THR HA 1 25 THR MG . . 3.180 2.850 2.214 3.237 0.057 2 0 "[ . 1 . 2]" 1
733 1 64 VAL HA 1 65 ARG H . . 2.900 2.372 2.308 2.431 . 0 0 "[ . 1 . 2]" 1
734 1 64 VAL HA 1 64 VAL MG2 . . 2.870 2.152 2.107 2.211 . 0 0 "[ . 1 . 2]" 1
735 1 19 LEU QD 1 64 VAL HA . . 3.410 2.331 1.929 2.866 . 0 0 "[ . 1 . 2]" 1
736 1 66 VAL HB 1 67 GLY H . . 4.860 4.175 4.034 4.447 . 0 0 "[ . 1 . 2]" 1
737 1 65 ARG HA 1 66 VAL HB . . 4.580 4.605 4.580 4.649 0.069 14 0 "[ . 1 . 2]" 1
738 1 50 ILE MG 1 66 VAL HB . . 4.820 4.202 4.030 4.626 . 0 0 "[ . 1 . 2]" 1
739 1 53 VAL MG2 1 66 VAL HB . . 4.610 4.091 3.871 4.323 . 0 0 "[ . 1 . 2]" 1
740 1 14 GLU HB3 1 102 TRP HH2 . . 4.970 4.556 4.444 4.936 . 0 0 "[ . 1 . 2]" 1
741 1 14 GLU HB2 1 102 TRP HZ2 . . 4.310 3.051 2.882 3.189 . 0 0 "[ . 1 . 2]" 1
742 1 11 ARG HB3 1 12 ILE H . . 4.370 3.085 2.460 3.731 . 0 0 "[ . 1 . 2]" 1
743 1 11 ARG HB3 1 11 ARG HG2 . . 2.990 2.612 2.266 2.997 0.007 18 0 "[ . 1 . 2]" 1
744 1 40 PRO HA 1 41 TYR H . . 3.120 2.340 2.150 2.636 . 0 0 "[ . 1 . 2]" 1
745 1 40 PRO HA 1 42 LYS H . . 4.510 4.057 3.669 4.385 . 0 0 "[ . 1 . 2]" 1
746 1 34 GLY HA3 1 40 PRO HA . . 4.760 3.487 3.015 3.854 . 0 0 "[ . 1 . 2]" 1
747 1 34 GLY HA2 1 40 PRO HA . . 4.040 2.954 2.390 3.623 . 0 0 "[ . 1 . 2]" 1
748 1 9 PRO HA 1 10 ALA MB . . 4.670 3.873 3.713 4.132 . 0 0 "[ . 1 . 2]" 1
749 1 14 GLU HB2 1 102 TRP HD1 . . 4.830 5.122 4.782 5.318 0.488 13 0 "[ . 1 . 2]" 1
750 1 54 SER H 1 54 SER HB2 . . 3.650 2.408 2.170 2.590 . 0 0 "[ . 1 . 2]" 1
751 1 54 SER H 1 54 SER HB3 . . 3.480 3.534 3.462 3.560 0.080 10 0 "[ . 1 . 2]" 1
752 1 102 TRP HD1 1 103 ARG H . . 4.810 3.469 3.322 3.579 . 0 0 "[ . 1 . 2]" 1
753 1 91 ARG QB 1 91 ARG HG2 . . 2.640 2.416 2.192 2.550 . 0 0 "[ . 1 . 2]" 1
754 1 87 VAL MG1 1 91 ARG QB . . 4.310 3.531 2.718 4.226 . 0 0 "[ . 1 . 2]" 1
755 1 83 HIS HA 1 86 ALA H . . 4.210 3.449 3.329 3.592 . 0 0 "[ . 1 . 2]" 1
756 1 83 HIS HA 1 83 HIS HD2 . . 4.530 4.183 3.449 4.466 . 0 0 "[ . 1 . 2]" 1
757 1 35 GLY HA3 1 83 HIS HA . . 3.940 3.322 2.834 3.951 0.011 4 0 "[ . 1 . 2]" 1
758 1 83 HIS HA 1 86 ALA MB . . 3.720 2.640 2.406 2.821 . 0 0 "[ . 1 . 2]" 1
759 1 48 ILE MD 1 83 HIS HA . . 3.220 2.586 2.177 2.898 . 0 0 "[ . 1 . 2]" 1
760 1 74 ASN H 1 98 GLN HB2 . . 4.370 4.318 4.015 4.431 0.061 9 0 "[ . 1 . 2]" 1
761 1 98 GLN HB2 1 99 MET H . . 4.420 4.469 4.101 4.550 0.130 15 0 "[ . 1 . 2]" 1
762 1 98 GLN H 1 98 GLN HB2 . . 3.560 2.368 2.272 3.145 . 0 0 "[ . 1 . 2]" 1
763 1 18 THR MG 1 98 GLN HB2 . . 4.450 4.403 4.350 4.457 0.007 20 0 "[ . 1 . 2]" 1
764 1 20 THR MG 1 98 GLN HB2 . . 4.790 3.475 2.352 3.665 . 0 0 "[ . 1 . 2]" 1
765 1 97 VAL MG1 1 98 GLN HB2 . . 4.920 4.831 4.689 4.984 0.064 8 0 "[ . 1 . 2]" 1
766 1 74 ASN H 1 98 GLN HB3 . . 4.420 3.002 2.770 3.245 . 0 0 "[ . 1 . 2]" 1
767 1 98 GLN HB3 1 99 MET H . . 4.470 3.928 3.599 4.167 . 0 0 "[ . 1 . 2]" 1
768 1 98 GLN H 1 98 GLN HB3 . . 3.480 2.860 2.553 3.033 . 0 0 "[ . 1 . 2]" 1
769 1 74 ASN HA 1 98 GLN HB3 . . 3.960 3.065 2.427 3.459 . 0 0 "[ . 1 . 2]" 1
770 1 18 THR MG 1 98 GLN HB3 . . 4.390 3.816 3.447 4.528 0.138 13 0 "[ . 1 . 2]" 1
771 1 20 THR MG 1 98 GLN HB3 . . 4.580 4.738 3.911 4.818 0.238 11 0 "[ . 1 . 2]" 1
772 1 97 VAL MG1 1 98 GLN HB3 . . 5.010 4.804 4.266 4.938 . 0 0 "[ . 1 . 2]" 1
773 1 61 ARG H 1 61 ARG QB . . 3.590 2.427 2.118 2.547 . 0 0 "[ . 1 . 2]" 1
774 1 49 PHE HZ 1 69 LYS HD2 . . 4.230 2.373 1.996 2.820 . 0 0 "[ . 1 . 2]" 1
775 1 69 LYS HD2 1 102 TRP HZ3 . . 4.940 3.648 3.413 3.813 . 0 0 "[ . 1 . 2]" 1
776 1 69 LYS HD2 1 102 TRP HE3 . . 4.530 2.613 2.353 2.868 . 0 0 "[ . 1 . 2]" 1
777 1 69 LYS HD2 1 102 TRP HB3 . . 4.650 3.826 3.494 4.090 . 0 0 "[ . 1 . 2]" 1
778 1 69 LYS HB3 1 69 LYS HD2 . . 3.960 2.762 2.544 2.900 . 0 0 "[ . 1 . 2]" 1
779 1 69 LYS HD2 1 71 LEU MD2 . . 4.040 3.873 3.598 4.055 0.015 6 0 "[ . 1 . 2]" 1
780 1 69 LYS HD3 1 102 TRP HE3 . . 4.630 2.267 1.997 2.670 . 0 0 "[ . 1 . 2]" 1
781 1 49 PHE HZ 1 69 LYS HD3 . . 4.280 4.069 3.738 4.291 0.011 18 0 "[ . 1 . 2]" 1
782 1 69 LYS HD3 1 102 TRP HZ3 . . 4.880 3.964 3.701 4.512 . 0 0 "[ . 1 . 2]" 1
783 1 69 LYS HD3 1 102 TRP HB3 . . 4.730 2.761 2.600 2.972 . 0 0 "[ . 1 . 2]" 1
784 1 69 LYS HB3 1 69 LYS HD3 . . 4.030 2.590 2.508 2.680 . 0 0 "[ . 1 . 2]" 1
785 1 69 LYS HB2 1 69 LYS HD3 . . 3.840 3.358 3.234 3.542 . 0 0 "[ . 1 . 2]" 1
786 1 69 LYS HD3 1 71 LEU MD2 . . 4.110 2.550 2.138 2.795 . 0 0 "[ . 1 . 2]" 1
787 1 76 VAL HA 1 77 ALA H . . 2.610 2.223 2.199 2.267 . 0 0 "[ . 1 . 2]" 1
788 1 60 ALA MB 1 61 ARG QB . . 4.740 4.368 3.979 4.454 . 0 0 "[ . 1 . 2]" 1
789 1 20 THR HA 1 99 MET H . . 3.940 3.493 3.217 3.904 . 0 0 "[ . 1 . 2]" 1
790 1 20 THR HA 1 21 ILE H . . 2.840 2.167 2.150 2.194 . 0 0 "[ . 1 . 2]" 1
791 1 20 THR HA 1 21 ILE HG13 . . 4.460 3.591 3.355 3.878 . 0 0 "[ . 1 . 2]" 1
792 1 82 GLU H 1 85 GLU HB2 . . 4.120 2.537 2.312 2.772 . 0 0 "[ . 1 . 2]" 1
793 1 85 GLU H 1 85 GLU HB2 . . 3.570 2.446 2.381 2.528 . 0 0 "[ . 1 . 2]" 1
794 1 78 LEU MD2 1 85 GLU HB2 . . 4.640 3.943 3.382 4.458 . 0 0 "[ . 1 . 2]" 1
795 1 82 GLU H 1 85 GLU HB3 . . 4.380 3.738 3.495 4.017 . 0 0 "[ . 1 . 2]" 1
796 1 85 GLU H 1 85 GLU HB3 . . 3.800 3.549 3.537 3.560 . 0 0 "[ . 1 . 2]" 1
797 1 8 GLU HB3 1 9 PRO HD2 . . 4.810 3.630 2.293 4.866 0.056 20 0 "[ . 1 . 2]" 1
798 1 85 GLU HB3 1 85 GLU HG2 . . 2.820 2.798 2.747 2.826 0.006 10 0 "[ . 1 . 2]" 1
799 1 97 VAL HA 1 98 GLN H . . 2.750 2.192 2.181 2.283 . 0 0 "[ . 1 . 2]" 1
800 1 74 ASN HD22 1 97 VAL HA . . 3.830 2.566 1.941 3.001 . 0 0 "[ . 1 . 2]" 1
801 1 97 VAL HA 1 98 GLN HA . . 4.410 4.348 4.333 4.369 . 0 0 "[ . 1 . 2]" 1
802 1 96 ALA MB 1 97 VAL HA . . 4.860 4.253 4.157 4.335 . 0 0 "[ . 1 . 2]" 1
803 1 42 LYS QD 1 49 PHE QE . . 4.150 2.717 2.004 3.997 . 0 0 "[ . 1 . 2]" 1
804 1 41 TYR QE 1 42 LYS QD . . 4.610 3.650 2.101 4.599 . 0 0 "[ . 1 . 2]" 1
805 1 41 TYR QD 1 42 LYS QD . . 4.580 3.358 2.179 4.441 . 0 0 "[ . 1 . 2]" 1
806 1 42 LYS HB2 1 42 LYS QD . . 3.740 2.499 2.136 2.991 . 0 0 "[ . 1 . 2]" 1
807 1 42 LYS HB3 1 42 LYS QD . . 3.810 2.438 2.017 2.906 . 0 0 "[ . 1 . 2]" 1
808 1 18 THR HA 1 101 VAL H . . 3.910 3.188 2.929 3.305 . 0 0 "[ . 1 . 2]" 1
809 1 18 THR HA 1 19 LEU H . . 2.820 2.166 2.149 2.234 . 0 0 "[ . 1 . 2]" 1
810 1 18 THR HA 1 100 ARG HA . . 3.060 2.060 1.969 2.171 . 0 0 "[ . 1 . 2]" 1
811 1 39 THR HA 1 40 PRO HD3 . . 2.830 1.903 1.889 1.918 . 0 0 "[ . 1 . 2]" 1
812 1 39 THR HA 1 40 PRO HG3 . . 4.440 4.172 4.155 4.186 . 0 0 "[ . 1 . 2]" 1
813 1 35 GLY HA3 1 83 HIS HB2 . . 4.680 3.582 2.896 4.254 . 0 0 "[ . 1 . 2]" 1
814 1 39 THR HA 1 40 PRO HG2 . . 4.470 4.478 4.380 4.523 0.053 11 0 "[ . 1 . 2]" 1
815 1 84 HIS HB2 1 85 GLU H . . 4.930 3.760 3.654 3.878 . 0 0 "[ . 1 . 2]" 1
816 1 36 LYS HD2 1 82 GLU QG . . 4.720 3.564 2.385 4.626 . 0 0 "[ . 1 . 2]" 1
817 1 36 LYS HD3 1 82 GLU QG . . 4.660 4.252 3.833 4.623 . 0 0 "[ . 1 . 2]" 1
818 1 88 GLU H 1 88 GLU HB3 . . 3.300 3.201 3.164 3.305 0.005 8 0 "[ . 1 . 2]" 1
819 1 85 GLU HA 1 88 GLU HB3 . . 3.870 3.595 3.440 3.797 . 0 0 "[ . 1 . 2]" 1
820 1 53 VAL HA 1 54 SER H . . 3.040 2.211 2.184 2.251 . 0 0 "[ . 1 . 2]" 1
821 1 31 SER H 1 53 VAL HA . . 4.550 3.736 3.570 3.922 . 0 0 "[ . 1 . 2]" 1
822 1 53 VAL HA 1 59 ALA MB . . 4.850 3.829 3.706 4.042 . 0 0 "[ . 1 . 2]" 1
823 1 12 ILE HA 1 13 GLU H . . 2.860 2.235 2.194 2.318 . 0 0 "[ . 1 . 2]" 1
824 1 12 ILE HA 1 12 ILE HG12 . . 3.920 2.735 2.562 3.001 . 0 0 "[ . 1 . 2]" 1
825 1 12 ILE HA 1 12 ILE HG13 . . 3.720 3.041 2.580 3.769 0.049 18 0 "[ . 1 . 2]" 1
826 1 12 ILE HA 1 12 ILE MG . . 3.130 2.447 2.342 2.515 . 0 0 "[ . 1 . 2]" 1
827 1 73 VAL HA 1 100 ARG H . . 4.470 3.396 3.143 3.692 . 0 0 "[ . 1 . 2]" 1
828 1 73 VAL HA 1 99 MET HG2 . . 4.370 2.699 2.130 3.047 . 0 0 "[ . 1 . 2]" 1
829 1 14 GLU HB2 1 102 TRP HH2 . . 4.440 2.961 2.842 3.190 . 0 0 "[ . 1 . 2]" 1
830 1 21 ILE HA 1 22 LEU H . . 2.820 2.361 2.331 2.416 . 0 0 "[ . 1 . 2]" 1
831 1 20 THR HA 1 21 ILE HA . . 4.570 4.349 4.340 4.367 . 0 0 "[ . 1 . 2]" 1
832 1 21 ILE HA 1 21 ILE HG12 . . 3.410 2.901 2.841 3.005 . 0 0 "[ . 1 . 2]" 1
833 1 21 ILE HG13 1 97 VAL HB . . 4.770 4.702 4.298 4.823 0.053 13 0 "[ . 1 . 2]" 1
834 1 21 ILE H 1 21 ILE HG13 . . 3.710 2.668 2.412 2.854 . 0 0 "[ . 1 . 2]" 1
835 1 21 ILE HG13 1 21 ILE MG . . 3.480 3.168 3.139 3.191 . 0 0 "[ . 1 . 2]" 1
836 1 21 ILE H 1 21 ILE HG12 . . 4.250 4.055 3.863 4.200 . 0 0 "[ . 1 . 2]" 1
837 1 61 ARG H 1 61 ARG HG3 . . 3.980 2.398 1.944 4.478 0.498 6 0 "[ . 1 . 2]" 1
838 1 61 ARG H 1 61 ARG HG2 . . 4.250 2.993 2.777 4.002 . 0 0 "[ . 1 . 2]" 1
839 1 58 PRO HA 1 61 ARG HG2 . . 4.490 4.326 3.558 4.495 0.005 20 0 "[ . 1 . 2]" 1
840 1 21 ILE MG 1 58 PRO HG3 . . 3.830 3.824 3.766 3.866 0.036 16 0 "[ . 1 . 2]" 1
841 1 40 PRO HG2 1 44 ASP HA . . 4.050 3.382 2.762 3.972 . 0 0 "[ . 1 . 2]" 1
842 1 41 TYR HA 1 41 TYR QD . . 3.300 3.054 2.787 3.307 0.007 2 0 "[ . 1 . 2]" 1
843 1 33 ALA MB 1 41 TYR HA . . 3.940 3.777 3.443 3.944 0.004 2 0 "[ . 1 . 2]" 1
844 1 100 ARG H 1 100 ARG HG3 . . 4.740 4.450 4.251 4.562 . 0 0 "[ . 1 . 2]" 1
845 1 100 ARG HA 1 100 ARG HG3 . . 3.750 2.482 2.296 2.647 . 0 0 "[ . 1 . 2]" 1
846 1 18 THR HA 1 100 ARG HG3 . . 4.720 3.277 2.855 3.733 . 0 0 "[ . 1 . 2]" 1
847 1 18 THR MG 1 100 ARG HG3 . . 4.630 3.297 2.629 4.164 . 0 0 "[ . 1 . 2]" 1
848 1 71 LEU MD1 1 100 ARG HG3 . . 4.290 3.802 3.568 4.272 . 0 0 "[ . 1 . 2]" 1
849 1 18 THR HA 1 100 ARG HG2 . . 4.860 4.371 3.894 4.787 . 0 0 "[ . 1 . 2]" 1
850 1 71 LEU MD1 1 100 ARG HG2 . . 3.890 2.387 2.108 2.783 . 0 0 "[ . 1 . 2]" 1
851 1 33 ALA H 1 50 ILE HA . . 4.580 4.238 3.939 4.493 . 0 0 "[ . 1 . 2]" 1
852 1 50 ILE HA 1 51 SER H . . 2.920 2.203 2.180 2.251 . 0 0 "[ . 1 . 2]" 1
853 1 50 ILE HA 1 52 ARG H . . 4.230 3.826 3.595 4.064 . 0 0 "[ . 1 . 2]" 1
854 1 32 ILE HB 1 50 ILE HA . . 4.720 4.626 4.327 4.728 0.008 8 0 "[ . 1 . 2]" 1
855 1 50 ILE HA 1 50 ILE HG12 . . 4.120 3.197 3.070 3.343 . 0 0 "[ . 1 . 2]" 1
856 1 50 ILE HA 1 50 ILE HG13 . . 4.260 3.660 3.610 3.742 . 0 0 "[ . 1 . 2]" 1
857 1 55 GLU HA 1 55 GLU QG . . 3.540 2.354 1.946 3.333 . 0 0 "[ . 1 . 2]" 1
858 1 52 ARG HG3 1 53 VAL H . . 4.080 2.582 1.982 3.848 . 0 0 "[ . 1 . 2]" 1
859 1 31 SER HB2 1 52 ARG HG3 . . 4.690 4.615 4.447 5.036 0.346 13 0 "[ . 1 . 2]" 1
860 1 12 ILE H 1 12 ILE HG12 . . 4.190 3.713 2.759 4.202 0.012 10 0 "[ . 1 . 2]" 1
861 1 52 ARG HG2 1 53 VAL H . . 3.810 3.178 1.950 3.819 0.009 12 0 "[ . 1 . 2]" 1
862 1 52 ARG HA 1 52 ARG HG2 . . 3.950 3.281 2.252 3.764 . 0 0 "[ . 1 . 2]" 1
863 1 70 LEU HA 1 70 LEU HG . . 4.170 3.199 2.251 3.633 . 0 0 "[ . 1 . 2]" 1
864 1 84 HIS HA 1 88 GLU H . . 4.180 3.597 3.370 4.107 . 0 0 "[ . 1 . 2]" 1
865 1 84 HIS HA 1 87 VAL H . . 3.580 3.457 3.340 3.540 . 0 0 "[ . 1 . 2]" 1
866 1 84 HIS HA 1 86 ALA H . . 4.520 4.377 4.188 4.527 0.007 6 0 "[ . 1 . 2]" 1
867 1 84 HIS HA 1 84 HIS HB2 . . 3.000 2.368 2.335 2.423 . 0 0 "[ . 1 . 2]" 1
868 1 84 HIS HA 1 87 VAL HB . . 2.980 2.459 2.311 2.712 . 0 0 "[ . 1 . 2]" 1
869 1 84 HIS HA 1 87 VAL MG2 . . 3.220 3.050 2.828 3.195 . 0 0 "[ . 1 . 2]" 1
870 1 88 GLU HA 1 91 ARG HG2 . . 4.470 3.864 2.458 4.485 0.015 14 0 "[ . 1 . 2]" 1
871 1 88 GLU HA 1 91 ARG HG3 . . 4.410 3.697 2.770 4.423 0.013 16 0 "[ . 1 . 2]" 1
872 1 64 VAL HA 1 65 ARG QG . . 4.710 3.924 3.470 4.539 . 0 0 "[ . 1 . 2]" 1
873 1 48 ILE H 1 48 ILE HG13 . . 4.000 3.831 3.597 3.994 . 0 0 "[ . 1 . 2]" 1
874 1 22 LEU H 1 22 LEU HG . . 3.760 3.720 3.216 3.898 0.138 13 0 "[ . 1 . 2]" 1
875 1 30 ILE HA 1 54 SER H . . 4.340 2.830 2.536 3.097 . 0 0 "[ . 1 . 2]" 1
876 1 30 ILE HA 1 31 SER H . . 2.960 2.439 2.250 2.614 . 0 0 "[ . 1 . 2]" 1
877 1 30 ILE HA 1 53 VAL HA . . 3.360 2.536 2.366 2.678 . 0 0 "[ . 1 . 2]" 1
878 1 30 ILE HA 1 59 ALA MB . . 4.540 3.982 3.814 4.188 . 0 0 "[ . 1 . 2]" 1
879 1 30 ILE HA 1 30 ILE MG . . 3.110 2.243 2.103 2.290 . 0 0 "[ . 1 . 2]" 1
880 1 30 ILE HA 1 53 VAL MG2 . . 4.040 3.579 3.220 3.891 . 0 0 "[ . 1 . 2]" 1
881 1 19 LEU H 1 19 LEU HG . . 4.400 3.998 3.040 4.536 0.136 7 0 "[ . 1 . 2]" 1
882 1 32 ILE HA 1 33 ALA H . . 3.020 2.427 2.348 2.502 . 0 0 "[ . 1 . 2]" 1
883 1 32 ILE HA 1 51 SER H . . 3.290 2.716 2.463 2.847 . 0 0 "[ . 1 . 2]" 1
884 1 32 ILE HA 1 50 ILE HA . . 3.400 2.685 2.509 2.925 . 0 0 "[ . 1 . 2]" 1
885 1 32 ILE HA 1 50 ILE MG . . 4.430 4.231 3.999 4.431 0.001 10 0 "[ . 1 . 2]" 1
886 1 71 LEU H 1 71 LEU HG . . 3.630 2.558 2.273 2.784 . 0 0 "[ . 1 . 2]" 1
887 1 71 LEU HG 1 72 GLU H . . 4.890 3.970 3.854 4.155 . 0 0 "[ . 1 . 2]" 1
888 1 70 LEU HA 1 71 LEU HG . . 4.490 3.351 3.235 3.582 . 0 0 "[ . 1 . 2]" 1
889 1 19 LEU H 1 19 LEU QD . . 4.140 3.360 2.719 3.726 . 0 0 "[ . 1 . 2]" 1
890 1 78 LEU H 1 78 LEU MD1 . . 4.370 4.110 3.957 4.231 . 0 0 "[ . 1 . 2]" 1
891 1 48 ILE HA 1 49 PHE H . . 3.020 2.183 2.176 2.193 . 0 0 "[ . 1 . 2]" 1
892 1 48 ILE HA 1 48 ILE HG12 . . 4.040 2.804 2.638 3.075 . 0 0 "[ . 1 . 2]" 1
893 1 48 ILE HA 1 48 ILE HG13 . . 4.150 3.685 3.622 3.735 . 0 0 "[ . 1 . 2]" 1
894 1 61 ARG HA 1 63 GLY H . . 4.410 4.090 3.857 4.246 . 0 0 "[ . 1 . 2]" 1
895 1 60 ALA MB 1 61 ARG HA . . 4.280 3.768 3.659 3.916 . 0 0 "[ . 1 . 2]" 1
896 1 88 GLU HA 1 91 ARG H . . 3.730 3.496 3.127 3.722 . 0 0 "[ . 1 . 2]" 1
897 1 88 GLU HA 1 91 ARG HD3 . . 3.970 2.686 1.986 3.936 . 0 0 "[ . 1 . 2]" 1
898 1 88 GLU HA 1 88 GLU QG . . 3.420 2.117 1.981 2.330 . 0 0 "[ . 1 . 2]" 1
899 1 61 ARG HA 1 61 ARG QB . . 2.680 2.409 2.265 2.450 . 0 0 "[ . 1 . 2]" 1
900 1 61 ARG HA 1 61 ARG HG3 . . 3.360 3.296 2.566 3.402 0.042 20 0 "[ . 1 . 2]" 1
901 1 61 ARG HA 1 61 ARG HG2 . . 3.220 2.442 2.258 3.496 0.276 6 0 "[ . 1 . 2]" 1
902 1 87 VAL MG1 1 88 GLU HA . . 3.860 3.168 3.019 3.400 . 0 0 "[ . 1 . 2]" 1
903 1 28 LEU HA 1 28 LEU QD . . 2.980 2.134 1.963 2.874 . 0 0 "[ . 1 . 2]" 1
904 1 28 LEU QD 1 90 LEU HA . . 4.550 3.691 3.199 4.004 . 0 0 "[ . 1 . 2]" 1
905 1 19 LEU QD 1 65 ARG H . . 4.650 3.910 3.573 4.359 . 0 0 "[ . 1 . 2]" 1
906 1 54 SER HA 1 55 GLU QB . . 4.750 4.175 4.042 4.492 . 0 0 "[ . 1 . 2]" 1
907 1 91 ARG HA 1 91 ARG HG2 . . 3.440 2.988 2.255 3.726 0.286 18 0 "[ . 1 . 2]" 1
908 1 91 ARG HA 1 91 ARG HG3 . . 3.560 3.145 2.099 3.618 0.058 16 0 "[ . 1 . 2]" 1
909 1 50 ILE HG12 1 64 VAL MG2 . . 3.990 3.805 3.617 3.989 . 0 0 "[ . 1 . 2]" 1
910 1 50 ILE HG12 1 68 ASP HB2 . . 4.110 2.482 1.985 3.646 . 0 0 "[ . 1 . 2]" 1
911 1 50 ILE HG12 1 50 ILE MG . . 3.630 3.215 3.182 3.233 . 0 0 "[ . 1 . 2]" 1
912 1 50 ILE H 1 50 ILE HG13 . . 3.890 3.665 3.492 3.834 . 0 0 "[ . 1 . 2]" 1
913 1 50 ILE HG13 1 68 ASP HB2 . . 4.000 2.590 1.987 3.557 . 0 0 "[ . 1 . 2]" 1
914 1 50 ILE HG13 1 50 ILE MG . . 3.550 2.288 2.152 2.413 . 0 0 "[ . 1 . 2]" 1
915 1 85 GLU HA 1 88 GLU H . . 4.010 3.841 3.715 3.995 . 0 0 "[ . 1 . 2]" 1
916 1 85 GLU HA 1 85 GLU HG2 . . 3.150 2.223 2.175 2.309 . 0 0 "[ . 1 . 2]" 1
917 1 85 GLU HA 1 85 GLU HG3 . . 3.590 3.422 3.382 3.463 . 0 0 "[ . 1 . 2]" 1
918 1 78 LEU HA 1 78 LEU HG . . 4.050 3.183 3.051 3.265 . 0 0 "[ . 1 . 2]" 1
919 1 76 VAL MG2 1 78 LEU HG . . 4.630 3.968 3.666 4.228 . 0 0 "[ . 1 . 2]" 1
920 1 36 LYS HA 1 46 GLU QB . . 3.480 2.439 2.140 2.902 . 0 0 "[ . 1 . 2]" 1
921 1 36 LYS HA 1 36 LYS HG2 . . 3.880 3.236 2.437 3.744 . 0 0 "[ . 1 . 2]" 1
922 1 101 VAL HA 1 102 TRP H . . 2.930 2.425 2.338 2.538 . 0 0 "[ . 1 . 2]" 1
923 1 71 LEU H 1 101 VAL HA . . 3.370 2.894 2.674 3.075 . 0 0 "[ . 1 . 2]" 1
924 1 72 GLU H 1 101 VAL HA . . 4.690 4.406 4.292 4.603 . 0 0 "[ . 1 . 2]" 1
925 1 70 LEU HA 1 101 VAL HA . . 3.450 2.156 1.973 2.398 . 0 0 "[ . 1 . 2]" 1
926 1 68 ASP HB3 1 101 VAL HA . . 4.970 4.279 3.787 5.845 0.875 14 2 "[ . 1 +. -2]" 1
927 1 71 LEU HG 1 101 VAL HA . . 3.610 2.696 2.446 2.962 . 0 0 "[ . 1 . 2]" 1
928 1 71 LEU QB 1 101 VAL HA . . 4.220 4.233 4.097 4.315 0.095 14 0 "[ . 1 . 2]" 1
929 1 101 VAL HA 1 101 VAL QG . . 3.020 2.287 2.228 2.329 . 0 0 "[ . 1 . 2]" 1
930 1 71 LEU MD2 1 101 VAL HA . . 4.320 3.996 3.753 4.295 . 0 0 "[ . 1 . 2]" 1
931 1 79 GLN HA 1 79 GLN QG . . 3.600 2.150 1.996 2.341 . 0 0 "[ . 1 . 2]" 1
932 1 51 SER HA 1 67 GLY H . . 4.480 4.444 4.336 4.523 0.043 19 0 "[ . 1 . 2]" 1
933 1 41 TYR QE 1 51 SER HA . . 3.880 2.180 1.996 2.882 . 0 0 "[ . 1 . 2]" 1
934 1 51 SER HA 1 66 VAL MG1 . . 3.430 3.335 3.073 3.439 0.009 11 0 "[ . 1 . 2]" 1
935 1 103 ARG HE 1 103 ARG QG . . 3.800 3.004 2.601 3.346 . 0 0 "[ . 1 . 2]" 1
936 1 71 LEU MD1 1 102 TRP H . . 4.490 3.367 3.150 3.658 . 0 0 "[ . 1 . 2]" 1
937 1 71 LEU MD1 1 72 GLU H . . 4.750 4.339 4.210 4.605 . 0 0 "[ . 1 . 2]" 1
938 1 71 LEU MD1 1 102 TRP HD1 . . 4.250 2.693 2.451 3.034 . 0 0 "[ . 1 . 2]" 1
939 1 71 LEU MD1 1 101 VAL HA . . 4.580 3.537 3.377 3.761 . 0 0 "[ . 1 . 2]" 1
940 1 71 LEU MD1 1 102 TRP HB2 . . 3.240 1.921 1.862 1.954 . 0 0 "[ . 1 . 2]" 1
941 1 16 GLU HG3 1 71 LEU MD1 . . 3.820 2.283 1.828 2.714 . 0 0 "[ . 1 . 2]" 1
942 1 16 GLU HG2 1 71 LEU MD1 . . 3.790 2.009 1.856 2.241 . 0 0 "[ . 1 . 2]" 1
943 1 16 GLU HB3 1 71 LEU MD1 . . 4.360 3.323 3.166 3.735 . 0 0 "[ . 1 . 2]" 1
944 1 16 GLU HB2 1 71 LEU MD1 . . 4.450 4.139 4.003 4.444 . 0 0 "[ . 1 . 2]" 1
945 1 71 LEU MD1 1 100 ARG HB3 . . 4.250 3.631 3.392 3.836 . 0 0 "[ . 1 . 2]" 1
946 1 71 LEU QB 1 71 LEU MD1 . . 2.850 2.025 2.004 2.079 . 0 0 "[ . 1 . 2]" 1
947 1 17 LEU H 1 17 LEU MD1 . . 3.990 3.818 3.751 3.929 . 0 0 "[ . 1 . 2]" 1
948 1 31 SER HA 1 32 ILE H . . 3.330 2.322 2.260 2.489 . 0 0 "[ . 1 . 2]" 1
949 1 30 ILE HB 1 31 SER HA . . 4.980 4.430 4.283 4.696 . 0 0 "[ . 1 . 2]" 1
950 1 30 ILE HG13 1 31 SER HA . . 4.820 4.715 4.220 4.836 0.016 19 0 "[ . 1 . 2]" 1
951 1 90 LEU HA 1 90 LEU MD1 . . 4.210 3.843 3.812 3.887 . 0 0 "[ . 1 . 2]" 1
952 1 90 LEU HB2 1 90 LEU MD1 . . 3.050 2.204 2.045 2.285 . 0 0 "[ . 1 . 2]" 1
953 1 90 LEU HA 1 90 LEU HG . . 3.460 2.711 2.610 2.832 . 0 0 "[ . 1 . 2]" 1
954 1 73 VAL MG1 1 90 LEU HA . . 3.240 2.483 2.170 2.685 . 0 0 "[ . 1 . 2]" 1
955 1 70 LEU QD 1 71 LEU H . . 3.580 1.932 1.795 2.197 . 0 0 "[ . 1 . 2]" 1
956 1 70 LEU HA 1 70 LEU QD . . 3.110 2.015 1.862 2.936 . 0 0 "[ . 1 . 2]" 1
957 1 32 ILE H 1 32 ILE HG13 . . 3.930 2.755 2.627 2.963 . 0 0 "[ . 1 . 2]" 1
958 1 23 ARG HA 1 23 ARG QG . . 3.740 2.230 2.094 2.646 . 0 0 "[ . 1 . 2]" 1
959 1 23 ARG HA 1 28 LEU QD . . 3.380 3.228 2.705 3.383 0.003 15 0 "[ . 1 . 2]" 1
960 1 17 LEU MD2 1 18 THR H . . 4.130 4.114 3.917 4.190 0.060 11 0 "[ . 1 . 2]" 1
961 1 15 GLU QG 1 17 LEU MD2 . . 3.870 2.001 1.721 2.317 . 0 0 "[ . 1 . 2]" 1
962 1 69 LYS HG2 1 70 LEU H . . 4.090 3.785 3.533 4.082 . 0 0 "[ . 1 . 2]" 1
963 1 69 LYS HG3 1 70 LEU H . . 4.080 3.991 3.714 4.092 0.012 11 0 "[ . 1 . 2]" 1
964 1 22 LEU HA 1 23 ARG HA . . 4.730 4.308 4.267 4.389 . 0 0 "[ . 1 . 2]" 1
965 1 22 LEU HA 1 22 LEU QD . . 2.880 1.920 1.847 2.152 . 0 0 "[ . 1 . 2]" 1
966 1 52 ARG HA 1 53 VAL H . . 2.880 2.400 2.286 2.474 . 0 0 "[ . 1 . 2]" 1
967 1 52 ARG HA 1 52 ARG HG3 . . 3.550 2.782 2.107 3.128 . 0 0 "[ . 1 . 2]" 1
968 1 70 LEU H 1 70 LEU QD . . 4.170 3.311 2.935 3.689 . 0 0 "[ . 1 . 2]" 1
969 1 70 LEU QD 1 100 ARG H . . 4.090 2.800 2.510 3.561 . 0 0 "[ . 1 . 2]" 1
970 1 70 LEU QD 1 72 GLU H . . 3.830 2.317 1.981 2.617 . 0 0 "[ . 1 . 2]" 1
971 1 70 LEU QD 1 101 VAL HA . . 4.430 2.977 2.655 4.116 . 0 0 "[ . 1 . 2]" 1
972 1 70 LEU QD 1 99 MET HG2 . . 3.640 3.257 2.966 3.399 . 0 0 "[ . 1 . 2]" 1
973 1 13 GLU HA 1 14 GLU H . . 2.810 2.266 2.213 2.293 . 0 0 "[ . 1 . 2]" 1
974 1 69 LYS H 1 102 TRP HE3 . . 4.680 4.549 4.414 4.686 0.006 12 0 "[ . 1 . 2]" 1
975 1 102 TRP HB3 1 102 TRP HE3 . . 4.110 2.333 2.330 2.343 . 0 0 "[ . 1 . 2]" 1
976 1 69 LYS HB3 1 102 TRP HE3 . . 4.140 2.649 2.607 2.712 . 0 0 "[ . 1 . 2]" 1
977 1 82 GLU HA 1 83 HIS H . . 3.330 2.517 2.359 2.726 . 0 0 "[ . 1 . 2]" 1
978 1 82 GLU HA 1 82 GLU QG . . 3.120 2.315 2.188 2.473 . 0 0 "[ . 1 . 2]" 1
979 1 36 LYS QB 1 82 GLU HA . . 3.470 2.738 2.035 3.213 . 0 0 "[ . 1 . 2]" 1
980 1 81 ALA MB 1 82 GLU HA . . 4.500 4.368 4.236 4.442 . 0 0 "[ . 1 . 2]" 1
981 1 35 GLY HA2 1 82 GLU HA . . 4.230 3.521 2.985 4.243 0.013 12 0 "[ . 1 . 2]" 1
982 1 33 ALA H 1 33 ALA MB . . 3.380 2.704 2.541 2.816 . 0 0 "[ . 1 . 2]" 1
983 1 33 ALA MB 1 34 GLY H . . 3.420 3.024 2.443 3.430 0.010 11 0 "[ . 1 . 2]" 1
984 1 33 ALA MB 1 41 TYR QE . . 4.110 3.596 3.122 4.057 . 0 0 "[ . 1 . 2]" 1
985 1 33 ALA MB 1 41 TYR QD . . 3.190 2.132 1.921 2.397 . 0 0 "[ . 1 . 2]" 1
986 1 33 ALA MB 1 51 SER HA . . 4.510 3.469 3.085 3.809 . 0 0 "[ . 1 . 2]" 1
987 1 33 ALA MB 1 41 TYR HB2 . . 3.610 2.651 2.400 2.793 . 0 0 "[ . 1 . 2]" 1
988 1 33 ALA MB 1 41 TYR HB3 . . 4.140 4.064 3.803 4.150 0.010 8 0 "[ . 1 . 2]" 1
989 1 36 LYS H 1 36 LYS HG3 . . 4.340 4.401 4.325 4.571 0.231 13 0 "[ . 1 . 2]" 1
990 1 36 LYS HA 1 36 LYS HG3 . . 3.910 2.598 2.404 2.808 . 0 0 "[ . 1 . 2]" 1
991 1 102 TRP HB2 1 102 TRP HE3 . . 4.110 3.717 3.643 3.783 . 0 0 "[ . 1 . 2]" 1
992 1 66 VAL MG2 1 67 GLY H . . 4.060 3.885 3.841 4.014 . 0 0 "[ . 1 . 2]" 1
993 1 65 ARG HA 1 66 VAL MG2 . . 4.110 3.749 3.594 3.848 . 0 0 "[ . 1 . 2]" 1
994 1 17 LEU H 1 102 TRP HA . . 4.170 3.162 2.921 3.258 . 0 0 "[ . 1 . 2]" 1
995 1 102 TRP HA 1 103 ARG H . . 2.850 2.215 2.212 2.225 . 0 0 "[ . 1 . 2]" 1
996 1 102 TRP HA 1 102 TRP HD1 . . 3.990 2.469 2.357 2.594 . 0 0 "[ . 1 . 2]" 1
997 1 71 LEU MD1 1 102 TRP HA . . 4.130 2.595 2.353 2.892 . 0 0 "[ . 1 . 2]" 1
998 1 68 ASP HA 1 102 TRP H . . 4.600 4.177 3.768 4.580 . 0 0 "[ . 1 . 2]" 1
999 1 68 ASP HA 1 69 LYS H . . 2.950 2.277 2.252 2.323 . 0 0 "[ . 1 . 2]" 1
1000 1 68 ASP HA 1 69 LYS HB2 . . 4.730 4.670 4.561 4.750 0.020 15 0 "[ . 1 . 2]" 1
1001 1 53 VAL H 1 66 VAL MG2 . . 3.250 2.564 2.409 2.677 . 0 0 "[ . 1 . 2]" 1
1002 1 66 VAL H 1 66 VAL MG2 . . 3.020 2.232 2.019 2.487 . 0 0 "[ . 1 . 2]" 1
1003 1 53 VAL HA 1 66 VAL MG2 . . 4.120 3.811 3.673 4.036 . 0 0 "[ . 1 . 2]" 1
1004 1 52 ARG HA 1 66 VAL MG2 . . 3.010 2.234 1.967 2.415 . 0 0 "[ . 1 . 2]" 1
1005 1 68 ASP HA 1 101 VAL QG . . 4.350 3.971 3.877 4.074 . 0 0 "[ . 1 . 2]" 1
1006 1 14 GLU HA 1 15 GLU H . . 2.770 2.399 2.320 2.521 . 0 0 "[ . 1 . 2]" 1
1007 1 14 GLU HA 1 14 GLU QG . . 3.350 2.187 2.038 2.342 . 0 0 "[ . 1 . 2]" 1
1008 1 14 GLU HA 1 15 GLU QG . . 4.380 3.521 3.273 4.401 0.021 14 0 "[ . 1 . 2]" 1
1009 1 15 GLU HA 1 103 ARG H . . 4.670 4.565 4.491 4.600 . 0 0 "[ . 1 . 2]" 1
1010 1 15 GLU HA 1 16 GLU H . . 2.810 2.532 2.478 2.573 . 0 0 "[ . 1 . 2]" 1
1011 1 15 GLU HA 1 16 GLU HA . . 4.710 4.293 4.287 4.301 . 0 0 "[ . 1 . 2]" 1
1012 1 15 GLU HA 1 15 GLU QG . . 3.230 3.300 3.281 3.316 0.086 20 0 "[ . 1 . 2]" 1
1013 1 41 TYR QD 1 42 LYS HG2 . . 4.830 3.331 2.025 4.705 . 0 0 "[ . 1 . 2]" 1
1014 1 41 TYR QD 1 42 LYS HG3 . . 4.380 2.584 2.000 4.247 . 0 0 "[ . 1 . 2]" 1
1015 1 19 LEU HA 1 19 LEU QD . . 3.030 2.061 1.775 2.415 . 0 0 "[ . 1 . 2]" 1
1016 1 90 LEU H 1 90 LEU MD2 . . 3.840 3.778 3.558 3.851 0.011 15 0 "[ . 1 . 2]" 1
1017 1 90 LEU HA 1 90 LEU MD2 . . 2.820 2.186 2.006 2.372 . 0 0 "[ . 1 . 2]" 1
1018 1 90 LEU HB2 1 90 LEU MD2 . . 3.460 3.196 3.167 3.207 . 0 0 "[ . 1 . 2]" 1
1019 1 11 ARG HA 1 12 ILE H . . 2.860 2.363 2.254 2.511 . 0 0 "[ . 1 . 2]" 1
1020 1 11 ARG HA 1 11 ARG HG3 . . 3.950 2.846 2.016 3.607 . 0 0 "[ . 1 . 2]" 1
1021 1 14 GLU HA 1 104 GLU HA . . 3.340 2.026 1.989 2.091 . 0 0 "[ . 1 . 2]" 1
1022 1 14 GLU QG 1 104 GLU HA . . 3.440 3.156 2.937 3.295 . 0 0 "[ . 1 . 2]" 1
1023 1 71 LEU HA 1 78 LEU H . . 4.510 3.893 3.707 4.212 . 0 0 "[ . 1 . 2]" 1
1024 1 71 LEU HA 1 71 LEU HG . . 3.820 3.216 3.190 3.242 . 0 0 "[ . 1 . 2]" 1
1025 1 71 LEU HA 1 78 LEU HB2 . . 4.210 3.938 3.655 4.219 0.009 8 0 "[ . 1 . 2]" 1
1026 1 71 LEU HA 1 71 LEU MD1 . . 4.030 3.971 3.915 4.002 . 0 0 "[ . 1 . 2]" 1
1027 1 64 VAL H 1 64 VAL MG1 . . 2.730 2.216 2.128 2.289 . 0 0 "[ . 1 . 2]" 1
1028 1 28 LEU HA 1 58 PRO HG3 . . 3.680 3.148 2.697 3.646 . 0 0 "[ . 1 . 2]" 1
1029 1 28 LEU HA 1 58 PRO HB2 . . 3.900 3.791 3.576 3.930 0.030 13 0 "[ . 1 . 2]" 1
1030 1 28 LEU HA 1 58 PRO HG2 . . 4.140 2.014 1.979 2.181 . 0 0 "[ . 1 . 2]" 1
1031 1 87 VAL MG2 1 88 GLU H . . 3.890 3.880 3.833 3.915 0.025 6 0 "[ . 1 . 2]" 1
1032 1 86 ALA H 1 87 VAL MG2 . . 4.470 4.297 4.180 4.471 0.001 6 0 "[ . 1 . 2]" 1
1033 1 83 HIS HD2 1 87 VAL MG2 . . 3.640 2.611 1.955 3.349 . 0 0 "[ . 1 . 2]" 1
1034 1 49 PHE HA 1 70 LEU H . . 3.470 2.746 2.524 2.940 . 0 0 "[ . 1 . 2]" 1
1035 1 49 PHE HA 1 50 ILE H . . 3.050 2.380 2.341 2.470 . 0 0 "[ . 1 . 2]" 1
1036 1 49 PHE HA 1 49 PHE QD . . 3.940 3.101 2.970 3.186 . 0 0 "[ . 1 . 2]" 1
1037 1 49 PHE HA 1 69 LYS HA . . 3.120 2.380 2.202 2.557 . 0 0 "[ . 1 . 2]" 1
1038 1 49 PHE HA 1 50 ILE MD . . 4.220 3.808 3.445 4.185 . 0 0 "[ . 1 . 2]" 1
1039 1 72 GLU HA 1 73 VAL H . . 2.740 2.435 2.329 2.574 . 0 0 "[ . 1 . 2]" 1
1040 1 72 GLU HA 1 78 LEU H . . 3.460 2.377 2.009 2.591 . 0 0 "[ . 1 . 2]" 1
1041 1 72 GLU HA 1 77 ALA HA . . 3.170 2.644 2.574 2.729 . 0 0 "[ . 1 . 2]" 1
1042 1 72 GLU HA 1 72 GLU QG . . 3.400 2.278 2.026 2.709 . 0 0 "[ . 1 . 2]" 1
1043 1 72 GLU HA 1 78 LEU HG . . 3.550 3.110 2.877 3.246 . 0 0 "[ . 1 . 2]" 1
1044 1 72 GLU HA 1 78 LEU HB2 . . 4.400 3.370 2.978 3.507 . 0 0 "[ . 1 . 2]" 1
1045 1 72 GLU HA 1 78 LEU MD1 . . 4.120 4.071 3.747 4.196 0.076 20 0 "[ . 1 . 2]" 1
1046 1 49 PHE HA 1 50 ILE HB . . 4.770 4.750 4.619 4.862 0.092 19 0 "[ . 1 . 2]" 1
1047 1 24 GLN HA 1 24 GLN QG . . 3.390 2.807 2.022 3.330 . 0 0 "[ . 1 . 2]" 1
1048 1 70 LEU HA 1 102 TRP H . . 4.490 3.790 3.536 4.067 . 0 0 "[ . 1 . 2]" 1
1049 1 70 LEU HA 1 71 LEU H . . 2.850 2.250 2.187 2.325 . 0 0 "[ . 1 . 2]" 1
1050 1 70 LEU HA 1 72 GLU H . . 4.080 3.936 3.807 4.026 . 0 0 "[ . 1 . 2]" 1
1051 1 59 ALA HA 1 62 ALA H . . 3.830 3.137 2.925 3.443 . 0 0 "[ . 1 . 2]" 1
1052 1 60 ALA HA 1 64 VAL MG1 . . 3.440 2.537 1.946 2.798 . 0 0 "[ . 1 . 2]" 1
1053 1 21 ILE HG12 1 59 ALA HA . . 3.020 2.008 1.981 2.201 . 0 0 "[ . 1 . 2]" 1
1054 1 60 ALA HA 1 63 GLY H . . 3.990 3.517 3.157 3.716 . 0 0 "[ . 1 . 2]" 1
1055 1 64 VAL MG2 1 65 ARG H . . 3.130 2.029 1.921 2.213 . 0 0 "[ . 1 . 2]" 1
1056 1 64 VAL MG2 1 65 ARG HA . . 4.310 3.947 3.819 4.058 . 0 0 "[ . 1 . 2]" 1
1057 1 64 VAL MG2 1 68 ASP HB2 . . 4.100 3.297 3.094 3.741 . 0 0 "[ . 1 . 2]" 1
1058 1 64 VAL MG2 1 68 ASP HB3 . . 3.860 3.760 3.246 3.874 0.014 3 0 "[ . 1 . 2]" 1
1059 1 23 ARG H 1 28 LEU QD . . 4.610 4.436 4.171 4.568 . 0 0 "[ . 1 . 2]" 1
1060 1 28 LEU QD 1 58 PRO HG3 . . 4.320 4.047 3.417 4.596 0.276 2 0 "[ . 1 . 2]" 1
1061 1 28 LEU QD 1 58 PRO HB2 . . 4.240 3.639 3.047 4.219 . 0 0 "[ . 1 . 2]" 1
1062 1 69 LYS HA 1 70 LEU H . . 2.900 2.234 2.192 2.283 . 0 0 "[ . 1 . 2]" 1
1063 1 49 PHE QE 1 69 LYS HA . . 4.790 3.937 3.698 4.137 . 0 0 "[ . 1 . 2]" 1
1064 1 49 PHE QD 1 69 LYS HA . . 4.240 3.388 3.149 3.504 . 0 0 "[ . 1 . 2]" 1
1065 1 69 LYS HA 1 69 LYS HG3 . . 3.590 2.698 2.623 2.799 . 0 0 "[ . 1 . 2]" 1
1066 1 73 VAL MG2 1 74 ASN H . . 4.110 4.019 3.910 4.129 0.019 15 0 "[ . 1 . 2]" 1
1067 1 73 VAL H 1 73 VAL MG2 . . 3.790 3.344 2.989 3.558 . 0 0 "[ . 1 . 2]" 1
1068 1 72 GLU HA 1 73 VAL MG2 . . 4.500 3.802 3.436 4.179 . 0 0 "[ . 1 . 2]" 1
1069 1 73 VAL HA 1 73 VAL MG2 . . 3.210 2.179 2.041 2.376 . 0 0 "[ . 1 . 2]" 1
1070 1 73 VAL MG2 1 90 LEU HA . . 4.350 4.092 3.669 4.344 . 0 0 "[ . 1 . 2]" 1
1071 1 73 VAL MG2 1 99 MET HG3 . . 4.170 3.545 3.161 4.043 . 0 0 "[ . 1 . 2]" 1
1072 1 73 VAL MG2 1 99 MET HG2 . . 3.730 2.210 1.823 2.808 . 0 0 "[ . 1 . 2]" 1
1073 1 98 GLN HA 1 99 MET H . . 2.770 2.230 2.204 2.279 . 0 0 "[ . 1 . 2]" 1
1074 1 21 ILE H 1 98 GLN HA . . 4.040 3.646 3.104 4.010 . 0 0 "[ . 1 . 2]" 1
1075 1 20 THR MG 1 98 GLN HA . . 4.020 3.080 2.750 3.505 . 0 0 "[ . 1 . 2]" 1
1076 1 100 ARG HA 1 101 VAL H . . 2.870 2.242 2.237 2.247 . 0 0 "[ . 1 . 2]" 1
1077 1 19 LEU H 1 100 ARG HA . . 4.070 3.275 3.016 3.578 . 0 0 "[ . 1 . 2]" 1
1078 1 100 ARG HA 1 100 ARG HG2 . . 3.740 2.930 2.788 3.162 . 0 0 "[ . 1 . 2]" 1
1079 1 100 ARG HA 1 101 VAL QG . . 3.910 3.428 3.378 3.452 . 0 0 "[ . 1 . 2]" 1
1080 1 16 GLU HA 1 17 LEU HG . . 4.200 3.192 3.089 3.348 . 0 0 "[ . 1 . 2]" 1
1081 1 16 GLU HA 1 17 LEU MD2 . . 4.230 3.919 3.597 4.167 . 0 0 "[ . 1 . 2]" 1
1082 1 16 GLU HA 1 17 LEU H . . 2.800 2.272 2.243 2.320 . 0 0 "[ . 1 . 2]" 1
1083 1 16 GLU HA 1 103 ARG H . . 4.200 3.684 3.242 3.839 . 0 0 "[ . 1 . 2]" 1
1084 1 16 GLU HA 1 102 TRP HD1 . . 4.300 1.985 1.953 2.027 . 0 0 "[ . 1 . 2]" 1
1085 1 45 ASP HA 1 47 GLY H . . 4.260 4.214 4.024 4.274 0.014 16 0 "[ . 1 . 2]" 1
1086 1 45 ASP HA 1 46 GLU H . . 2.880 2.266 2.252 2.330 . 0 0 "[ . 1 . 2]" 1
1087 1 45 ASP HA 1 46 GLU QG . . 4.350 3.989 3.557 4.274 . 0 0 "[ . 1 . 2]" 1
1088 1 45 ASP HA 1 46 GLU QB . . 4.780 4.502 4.411 4.570 . 0 0 "[ . 1 . 2]" 1
1089 1 69 LYS H 1 103 ARG HA . . 4.660 4.553 4.206 4.760 0.100 11 0 "[ . 1 . 2]" 1
1090 1 103 ARG HA 1 104 GLU H . . 2.900 2.443 2.379 2.482 . 0 0 "[ . 1 . 2]" 1
1091 1 14 GLU QG 1 103 ARG HA . . 4.820 2.134 1.946 2.671 . 0 0 "[ . 1 . 2]" 1
1092 1 14 GLU HB2 1 103 ARG HA . . 4.490 4.312 3.908 4.611 0.121 3 0 "[ . 1 . 2]" 1
1093 1 103 ARG HA 1 103 ARG QG . . 3.410 2.284 2.007 2.627 . 0 0 "[ . 1 . 2]" 1
1094 1 76 VAL MG1 1 89 ALA HA . . 4.320 3.273 3.063 3.460 . 0 0 "[ . 1 . 2]" 1
1095 1 76 VAL MG2 1 89 ALA HA . . 4.740 4.110 3.533 4.729 . 0 0 "[ . 1 . 2]" 1
1096 1 73 VAL MG1 1 89 ALA HA . . 4.560 3.847 3.219 4.568 0.008 13 0 "[ . 1 . 2]" 1
1097 1 86 ALA HA 1 89 ALA H . . 3.660 3.530 3.329 3.665 0.005 5 0 "[ . 1 . 2]" 1
1098 1 86 ALA HA 1 89 ALA MB . . 3.150 2.604 2.280 2.889 . 0 0 "[ . 1 . 2]" 1
1099 1 78 LEU MD1 1 86 ALA HA . . 3.390 2.303 1.888 2.845 . 0 0 "[ . 1 . 2]" 1
1100 1 78 LEU H 1 78 LEU MD2 . . 3.950 3.542 3.366 3.733 . 0 0 "[ . 1 . 2]" 1
1101 1 78 LEU MD2 1 89 ALA H . . 4.480 3.739 3.561 3.922 . 0 0 "[ . 1 . 2]" 1
1102 1 78 LEU MD2 1 86 ALA H . . 4.000 3.809 3.487 4.001 0.001 18 0 "[ . 1 . 2]" 1
1103 1 78 LEU HA 1 78 LEU MD2 . . 2.740 1.974 1.901 2.041 . 0 0 "[ . 1 . 2]" 1
1104 1 78 LEU MD2 1 86 ALA HA . . 3.100 2.174 1.827 2.786 . 0 0 "[ . 1 . 2]" 1
1105 1 78 LEU MD2 1 85 GLU HB3 . . 3.800 3.352 2.803 3.797 . 0 0 "[ . 1 . 2]" 1
1106 1 53 VAL MG2 1 60 ALA HA . . 4.440 4.452 4.423 4.471 0.031 7 0 "[ . 1 . 2]" 1
1107 1 53 VAL H 1 53 VAL MG2 . . 3.590 3.269 2.938 3.419 . 0 0 "[ . 1 . 2]" 1
1108 1 53 VAL MG2 1 66 VAL H . . 3.600 2.823 2.355 3.236 . 0 0 "[ . 1 . 2]" 1
1109 1 53 VAL MG2 1 65 ARG HA . . 3.430 3.063 2.788 3.283 . 0 0 "[ . 1 . 2]" 1
1110 1 53 VAL HA 1 53 VAL MG2 . . 3.200 2.190 2.084 2.284 . 0 0 "[ . 1 . 2]" 1
1111 1 52 ARG HA 1 53 VAL MG2 . . 4.250 3.902 3.770 4.055 . 0 0 "[ . 1 . 2]" 1
1112 1 23 ARG H 1 95 THR MG . . 4.450 3.500 2.100 4.458 0.008 16 0 "[ . 1 . 2]" 1
1113 1 65 ARG HA 1 66 VAL H . . 2.990 2.301 2.259 2.433 . 0 0 "[ . 1 . 2]" 1
1114 1 65 ARG HA 1 65 ARG QG . . 3.320 2.271 2.132 2.424 . 0 0 "[ . 1 . 2]" 1
1115 1 64 VAL MG1 1 65 ARG HA . . 4.440 3.494 3.332 3.650 . 0 0 "[ . 1 . 2]" 1
1116 1 53 VAL HB 1 65 ARG HA . . 4.290 4.186 3.813 4.306 0.016 6 0 "[ . 1 . 2]" 1
1117 1 42 LYS HA 1 42 LYS HG3 . . 4.120 2.821 1.999 3.785 . 0 0 "[ . 1 . 2]" 1
1118 1 42 LYS HA 1 42 LYS HG2 . . 3.800 2.601 1.998 3.860 0.060 5 0 "[ . 1 . 2]" 1
1119 1 73 VAL HA 1 99 MET HA . . 3.250 2.284 2.070 2.444 . 0 0 "[ . 1 . 2]" 1
1120 1 70 LEU QD 1 99 MET HA . . 3.860 2.993 2.832 3.530 . 0 0 "[ . 1 . 2]" 1
1121 1 74 ASN H 1 99 MET HA . . 4.140 3.299 3.142 3.479 . 0 0 "[ . 1 . 2]" 1
1122 1 99 MET HA 1 100 ARG H . . 2.800 2.206 2.202 2.219 . 0 0 "[ . 1 . 2]" 1
1123 1 99 MET HA 1 99 MET HG2 . . 3.830 2.258 2.184 2.432 . 0 0 "[ . 1 . 2]" 1
1124 1 73 VAL MG2 1 99 MET HA . . 3.820 2.718 2.438 3.151 . 0 0 "[ . 1 . 2]" 1
1125 1 74 ASN HA 1 98 GLN H . . 4.390 3.026 2.636 3.321 . 0 0 "[ . 1 . 2]" 1
1126 1 74 ASN HA 1 75 GLY H . . 3.390 3.244 3.207 3.295 . 0 0 "[ . 1 . 2]" 1
1127 1 74 ASN HA 1 98 GLN HB2 . . 3.770 3.737 3.317 3.979 0.209 13 0 "[ . 1 . 2]" 1
1128 1 97 VAL H 1 97 VAL MG2 . . 3.170 2.790 2.413 2.920 . 0 0 "[ . 1 . 2]" 1
1129 1 97 VAL MG2 1 98 GLN H . . 4.050 4.075 4.029 4.125 0.075 7 0 "[ . 1 . 2]" 1
1130 1 23 ARG H 1 97 VAL MG2 . . 4.580 3.796 3.227 4.339 . 0 0 "[ . 1 . 2]" 1
1131 1 74 ASN HD22 1 97 VAL MG2 . . 4.220 2.907 2.462 3.225 . 0 0 "[ . 1 . 2]" 1
1132 1 96 ALA HA 1 97 VAL MG2 . . 4.020 3.928 3.615 4.037 0.017 10 0 "[ . 1 . 2]" 1
1133 1 97 VAL HA 1 97 VAL MG2 . . 3.110 2.225 2.172 2.474 . 0 0 "[ . 1 . 2]" 1
1134 1 71 LEU MD2 1 102 TRP H . . 4.310 3.415 3.080 3.813 . 0 0 "[ . 1 . 2]" 1
1135 1 71 LEU H 1 71 LEU MD2 . . 3.810 3.619 3.449 3.750 . 0 0 "[ . 1 . 2]" 1
1136 1 71 LEU HA 1 71 LEU MD2 . . 2.730 2.225 1.972 2.343 . 0 0 "[ . 1 . 2]" 1
1137 1 70 LEU HA 1 71 LEU MD2 . . 4.160 4.085 3.983 4.192 0.032 14 0 "[ . 1 . 2]" 1
1138 1 71 LEU MD2 1 102 TRP HB2 . . 3.460 1.979 1.906 2.217 . 0 0 "[ . 1 . 2]" 1
1139 1 71 LEU MD2 1 79 GLN QG . . 3.860 3.177 2.456 3.647 . 0 0 "[ . 1 . 2]" 1
1140 1 69 LYS HB3 1 71 LEU MD2 . . 3.960 3.226 2.878 3.414 . 0 0 "[ . 1 . 2]" 1
1141 1 71 LEU QB 1 71 LEU MD2 . . 2.960 2.256 2.183 2.346 . 0 0 "[ . 1 . 2]" 1
1142 1 78 LEU HA 1 78 LEU MD1 . . 3.970 3.762 3.727 3.819 . 0 0 "[ . 1 . 2]" 1
1143 1 39 THR HA 1 39 THR MG . . 3.190 2.580 2.293 2.849 . 0 0 "[ . 1 . 2]" 1
1144 1 39 THR MG 1 40 PRO HD3 . . 3.640 3.029 2.901 3.237 . 0 0 "[ . 1 . 2]" 1
1145 1 39 THR MG 1 40 PRO HD2 . . 3.250 1.887 1.789 1.976 . 0 0 "[ . 1 . 2]" 1
1146 1 39 THR MG 1 40 PRO HG3 . . 4.540 4.292 4.149 4.540 . 0 0 "[ . 1 . 2]" 1
1147 1 39 THR MG 1 40 PRO HG2 . . 4.690 3.591 3.456 3.905 . 0 0 "[ . 1 . 2]" 1
1148 1 66 VAL MG1 1 67 GLY H . . 3.290 2.195 1.922 2.711 . 0 0 "[ . 1 . 2]" 1
1149 1 53 VAL H 1 66 VAL MG1 . . 4.460 4.460 4.414 4.489 0.029 19 0 "[ . 1 . 2]" 1
1150 1 66 VAL H 1 66 VAL MG1 . . 3.840 3.684 3.663 3.699 . 0 0 "[ . 1 . 2]" 1
1151 1 41 TYR QE 1 66 VAL MG1 . . 4.460 3.426 2.987 4.125 . 0 0 "[ . 1 . 2]" 1
1152 1 66 VAL MG1 1 67 GLY HA2 . . 4.060 3.324 3.239 3.502 . 0 0 "[ . 1 . 2]" 1
1153 1 52 ARG HA 1 66 VAL MG1 . . 4.050 3.069 2.910 3.385 . 0 0 "[ . 1 . 2]" 1
1154 1 66 VAL MG1 1 67 GLY HA3 . . 4.110 3.454 3.247 3.617 . 0 0 "[ . 1 . 2]" 1
1155 1 66 VAL HA 1 66 VAL MG1 . . 3.190 2.454 2.377 2.554 . 0 0 "[ . 1 . 2]" 1
1156 1 53 VAL H 1 53 VAL MG1 . . 4.010 3.661 3.590 3.707 . 0 0 "[ . 1 . 2]" 1
1157 1 53 VAL MG1 1 54 SER H . . 3.670 3.276 2.862 3.469 . 0 0 "[ . 1 . 2]" 1
1158 1 53 VAL MG1 1 60 ALA H . . 3.600 3.072 2.903 3.362 . 0 0 "[ . 1 . 2]" 1
1159 1 30 ILE HA 1 53 VAL MG1 . . 4.430 4.430 4.366 4.454 0.024 10 0 "[ . 1 . 2]" 1
1160 1 53 VAL MG1 1 65 ARG HA . . 4.110 3.410 3.092 3.700 . 0 0 "[ . 1 . 2]" 1
1161 1 53 VAL HA 1 53 VAL MG1 . . 3.170 2.602 2.568 2.656 . 0 0 "[ . 1 . 2]" 1
1162 1 53 VAL MG1 1 60 ALA HA . . 3.070 2.678 2.506 2.897 . 0 0 "[ . 1 . 2]" 1
1163 1 53 VAL MG1 1 60 ALA MB . . 2.810 2.562 2.002 2.789 . 0 0 "[ . 1 . 2]" 1
1164 1 53 VAL MG1 1 59 ALA MB . . 3.070 2.759 2.525 3.072 0.002 7 0 "[ . 1 . 2]" 1
1165 1 97 VAL H 1 97 VAL MG1 . . 4.020 3.730 3.683 3.782 . 0 0 "[ . 1 . 2]" 1
1166 1 97 VAL MG1 1 98 GLN H . . 3.480 2.836 2.015 3.077 . 0 0 "[ . 1 . 2]" 1
1167 1 74 ASN HD22 1 97 VAL MG1 . . 4.350 3.289 2.134 3.720 . 0 0 "[ . 1 . 2]" 1
1168 1 97 VAL MG1 1 98 GLN HA . . 4.290 3.972 3.714 4.124 . 0 0 "[ . 1 . 2]" 1
1169 1 97 VAL HA 1 97 VAL MG1 . . 3.130 2.446 2.352 2.495 . 0 0 "[ . 1 . 2]" 1
1170 1 97 VAL MG1 1 99 MET ME . . 3.250 2.827 2.112 3.260 0.010 6 0 "[ . 1 . 2]" 1
1171 1 22 LEU HA 1 97 VAL H . . 4.180 3.543 2.804 3.928 . 0 0 "[ . 1 . 2]" 1
1172 1 22 LEU HA 1 23 ARG H . . 2.850 2.213 2.176 2.264 . 0 0 "[ . 1 . 2]" 1
1173 1 22 LEU HA 1 22 LEU HG . . 3.940 3.314 2.648 3.713 . 0 0 "[ . 1 . 2]" 1
1174 1 22 LEU HA 1 96 ALA MB . . 4.220 4.040 3.866 4.219 . 0 0 "[ . 1 . 2]" 1
1175 1 21 ILE MG 1 22 LEU HA . . 4.300 3.816 3.680 3.952 . 0 0 "[ . 1 . 2]" 1
1176 1 18 THR MG 1 99 MET H . . 4.080 3.452 3.058 3.771 . 0 0 "[ . 1 . 2]" 1
1177 1 18 THR MG 1 19 LEU H . . 3.470 2.993 2.481 3.431 . 0 0 "[ . 1 . 2]" 1
1178 1 18 THR H 1 18 THR MG . . 3.910 3.909 3.836 3.940 0.030 18 0 "[ . 1 . 2]" 1
1179 1 18 THR MG 1 100 ARG HA . . 4.020 3.018 2.349 3.392 . 0 0 "[ . 1 . 2]" 1
1180 1 18 THR HA 1 18 THR MG . . 3.090 2.268 2.141 2.394 . 0 0 "[ . 1 . 2]" 1
1181 1 18 THR MG 1 98 GLN HG2 . . 3.480 2.031 1.907 2.686 . 0 0 "[ . 1 . 2]" 1
1182 1 18 THR MG 1 98 GLN HG3 . . 3.530 2.963 2.445 3.446 . 0 0 "[ . 1 . 2]" 1
1183 1 18 THR MG 1 98 GLN HE21 . . 4.570 3.081 2.040 3.915 . 0 0 "[ . 1 . 2]" 1
1184 1 20 THR MG 1 21 ILE H . . 3.360 2.937 2.625 3.337 . 0 0 "[ . 1 . 2]" 1
1185 1 20 THR MG 1 97 VAL H . . 3.800 3.393 2.945 3.728 . 0 0 "[ . 1 . 2]" 1
1186 1 20 THR HA 1 20 THR MG . . 2.960 2.335 2.284 2.391 . 0 0 "[ . 1 . 2]" 1
1187 1 19 LEU HA 1 20 THR H . . 2.900 2.399 2.324 2.458 . 0 0 "[ . 1 . 2]" 1
1188 1 19 LEU HA 1 19 LEU HG . . 3.300 2.980 2.575 3.538 0.238 18 0 "[ . 1 . 2]" 1
1189 1 87 VAL MG1 1 88 GLU H . . 3.590 3.052 2.875 3.261 . 0 0 "[ . 1 . 2]" 1
1190 1 87 VAL H 1 87 VAL MG1 . . 3.790 3.700 3.683 3.710 . 0 0 "[ . 1 . 2]" 1
1191 1 84 HIS HA 1 87 VAL MG1 . . 4.140 3.790 3.614 4.022 . 0 0 "[ . 1 . 2]" 1
1192 1 87 VAL HA 1 87 VAL MG1 . . 3.030 2.529 2.475 2.561 . 0 0 "[ . 1 . 2]" 1
1193 1 73 VAL MG1 1 74 ASN H . . 3.590 3.189 2.829 3.421 . 0 0 "[ . 1 . 2]" 1
1194 1 73 VAL H 1 73 VAL MG1 . . 3.910 3.725 3.570 3.826 . 0 0 "[ . 1 . 2]" 1
1195 1 73 VAL MG1 1 74 ASN HD21 . . 4.400 3.253 3.070 4.405 0.005 11 0 "[ . 1 . 2]" 1
1196 1 73 VAL MG1 1 90 LEU H . . 4.180 3.444 3.148 3.740 . 0 0 "[ . 1 . 2]" 1
1197 1 73 VAL MG1 1 74 ASN HD22 . . 4.660 4.609 3.822 4.686 0.026 10 0 "[ . 1 . 2]" 1
1198 1 73 VAL MG1 1 99 MET HA . . 4.410 3.997 3.508 4.417 0.007 12 0 "[ . 1 . 2]" 1
1199 1 73 VAL HA 1 73 VAL MG1 . . 3.150 2.579 2.455 2.708 . 0 0 "[ . 1 . 2]" 1
1200 1 73 VAL MG1 1 74 ASN HA . . 4.360 4.125 3.855 4.276 . 0 0 "[ . 1 . 2]" 1
1201 1 73 VAL MG1 1 74 ASN HB2 . . 3.610 2.561 2.457 2.998 . 0 0 "[ . 1 . 2]" 1
1202 1 73 VAL MG1 1 99 MET HG3 . . 4.730 3.926 3.251 4.366 . 0 0 "[ . 1 . 2]" 1
1203 1 73 VAL MG1 1 99 MET HG2 . . 4.080 2.810 2.022 3.251 . 0 0 "[ . 1 . 2]" 1
1204 1 73 VAL MG1 1 90 LEU HG . . 3.840 2.968 2.495 3.420 . 0 0 "[ . 1 . 2]" 1
1205 1 73 VAL MG1 1 93 ALA MB . . 3.280 3.296 3.246 3.325 0.045 5 0 "[ . 1 . 2]" 1
1206 1 73 VAL MG1 1 89 ALA MB . . 3.210 2.233 1.806 2.712 . 0 0 "[ . 1 . 2]" 1
1207 1 22 LEU H 1 62 ALA MB . . 4.090 4.068 3.817 4.136 0.046 5 0 "[ . 1 . 2]" 1
1208 1 76 VAL H 1 76 VAL MG1 . . 2.920 2.224 2.151 2.307 . 0 0 "[ . 1 . 2]" 1
1209 1 101 VAL H 1 101 VAL QG . . 3.260 1.947 1.869 2.073 . 0 0 "[ . 1 . 2]" 1
1210 1 101 VAL QG 1 102 TRP H . . 3.780 3.279 3.104 3.381 . 0 0 "[ . 1 . 2]" 1
1211 1 71 LEU H 1 101 VAL QG . . 3.830 3.706 3.531 3.799 . 0 0 "[ . 1 . 2]" 1
1212 1 100 ARG H 1 101 VAL QG . . 4.510 4.061 3.941 4.198 . 0 0 "[ . 1 . 2]" 1
1213 1 70 LEU HA 1 101 VAL QG . . 3.180 2.447 1.979 2.756 . 0 0 "[ . 1 . 2]" 1
1214 1 68 ASP HB3 1 101 VAL QG . . 3.210 2.372 2.001 3.417 0.207 14 0 "[ . 1 . 2]" 1
1215 1 20 THR H 1 62 ALA MB . . 4.130 2.815 2.445 3.274 . 0 0 "[ . 1 . 2]" 1
1216 1 62 ALA MB 1 64 VAL H . . 3.710 3.121 2.865 3.511 . 0 0 "[ . 1 . 2]" 1
1217 1 62 ALA MB 1 63 GLY H . . 3.610 2.703 2.572 2.916 . 0 0 "[ . 1 . 2]" 1
1218 1 62 ALA H 1 62 ALA MB . . 2.890 2.144 2.057 2.169 . 0 0 "[ . 1 . 2]" 1
1219 1 19 LEU QD 1 62 ALA MB . . 3.170 2.652 1.785 3.116 . 0 0 "[ . 1 . 2]" 1
1220 1 21 ILE MG 1 62 ALA MB . . 3.260 2.927 2.720 3.121 . 0 0 "[ . 1 . 2]" 1
1221 1 74 ASN HD21 1 93 ALA HA . . 3.860 3.612 3.050 3.874 0.014 11 0 "[ . 1 . 2]" 1
1222 1 74 ASN HD22 1 93 ALA HA . . 4.000 2.761 1.964 3.585 . 0 0 "[ . 1 . 2]" 1
1223 1 76 VAL MG2 1 77 ALA H . . 3.290 2.366 2.177 2.512 . 0 0 "[ . 1 . 2]" 1
1224 1 76 VAL H 1 76 VAL MG2 . . 3.840 3.711 3.693 3.741 . 0 0 "[ . 1 . 2]" 1
1225 1 76 VAL MG2 1 78 LEU H . . 4.820 4.831 4.780 4.859 0.039 8 0 "[ . 1 . 2]" 1
1226 1 76 VAL MG2 1 78 LEU HA . . 4.490 4.370 4.299 4.454 . 0 0 "[ . 1 . 2]" 1
1227 1 76 VAL MG2 1 77 ALA HA . . 4.600 4.259 4.199 4.346 . 0 0 "[ . 1 . 2]" 1
1228 1 76 VAL HA 1 76 VAL MG2 . . 2.940 2.318 2.293 2.336 . 0 0 "[ . 1 . 2]" 1
1229 1 44 ASP HA 1 44 ASP HB3 . . 3.030 2.664 2.337 3.048 0.018 16 0 "[ . 1 . 2]" 1
1230 1 40 PRO HB2 1 44 ASP HA . . 4.330 3.978 3.283 4.460 0.130 17 0 "[ . 1 . 2]" 1
1231 1 40 PRO HG3 1 44 ASP HA . . 3.610 2.862 2.503 3.294 . 0 0 "[ . 1 . 2]" 1
1232 1 40 PRO HB3 1 44 ASP HA . . 4.460 3.919 3.037 4.281 . 0 0 "[ . 1 . 2]" 1
1233 1 73 VAL H 1 77 ALA HA . . 4.100 4.150 4.121 4.209 0.109 20 0 "[ . 1 . 2]" 1
1234 1 77 ALA HA 1 78 LEU H . . 2.740 2.187 2.186 2.193 . 0 0 "[ . 1 . 2]" 1
1235 1 72 GLU QG 1 77 ALA HA . . 3.330 2.364 1.877 3.387 0.057 13 0 "[ . 1 . 2]" 1
1236 1 74 ASN HD21 1 93 ALA MB . . 3.850 2.209 1.937 3.075 . 0 0 "[ . 1 . 2]" 1
1237 1 74 ASN HD22 1 93 ALA MB . . 3.690 1.982 1.875 2.185 . 0 0 "[ . 1 . 2]" 1
1238 1 93 ALA MB 1 97 VAL HA . . 3.590 2.922 2.619 3.162 . 0 0 "[ . 1 . 2]" 1
1239 1 74 ASN HB3 1 93 ALA MB . . 4.620 4.145 3.813 4.447 . 0 0 "[ . 1 . 2]" 1
1240 1 74 ASN HB2 1 93 ALA MB . . 3.960 3.186 2.837 3.859 . 0 0 "[ . 1 . 2]" 1
1241 1 93 ALA MB 1 97 VAL MG2 . . 2.980 1.750 1.657 1.879 . 0 0 "[ . 1 . 2]" 1
1242 1 93 ALA MB 1 97 VAL MG1 . . 2.760 2.271 1.952 2.675 . 0 0 "[ . 1 . 2]" 1
1243 1 81 ALA MB 1 82 GLU H . . 3.230 2.836 2.438 3.095 . 0 0 "[ . 1 . 2]" 1
1244 1 81 ALA H 1 81 ALA MB . . 2.840 2.134 1.951 2.463 . 0 0 "[ . 1 . 2]" 1
1245 1 81 ALA MB 1 85 GLU H . . 4.350 4.283 4.132 4.354 0.004 7 0 "[ . 1 . 2]" 1
1246 1 78 LEU HA 1 81 ALA MB . . 2.960 2.248 1.825 2.476 . 0 0 "[ . 1 . 2]" 1
1247 1 81 ALA MB 1 86 ALA HA . . 4.180 3.895 3.478 4.182 0.002 12 0 "[ . 1 . 2]" 1
1248 1 78 LEU MD2 1 81 ALA MB . . 2.890 2.409 2.008 2.760 . 0 0 "[ . 1 . 2]" 1
1249 1 81 ALA HA 1 82 GLU H . . 2.740 2.327 2.238 2.509 . 0 0 "[ . 1 . 2]" 1
1250 1 81 ALA HA 1 82 GLU QG . . 4.360 3.848 3.489 4.361 0.001 3 0 "[ . 1 . 2]" 1
1251 1 81 ALA HA 1 85 GLU HB2 . . 4.430 3.722 3.304 4.186 . 0 0 "[ . 1 . 2]" 1
1252 1 21 ILE MG 1 22 LEU H . . 3.410 2.104 1.942 2.189 . 0 0 "[ . 1 . 2]" 1
1253 1 21 ILE MG 1 58 PRO HA . . 4.050 3.703 3.522 4.007 . 0 0 "[ . 1 . 2]" 1
1254 1 21 ILE HA 1 21 ILE MG . . 2.950 2.368 2.296 2.450 . 0 0 "[ . 1 . 2]" 1
1255 1 21 ILE MG 1 58 PRO HB3 . . 3.500 3.260 3.129 3.445 . 0 0 "[ . 1 . 2]" 1
1256 1 21 ILE MG 1 58 PRO HG2 . . 3.780 2.848 2.748 2.946 . 0 0 "[ . 1 . 2]" 1
1257 1 21 ILE MG 1 58 PRO HB2 . . 3.260 1.912 1.837 2.032 . 0 0 "[ . 1 . 2]" 1
1258 1 96 ALA MB 1 97 VAL H . . 3.470 3.427 3.261 3.533 0.063 11 0 "[ . 1 . 2]" 1
1259 1 95 THR HB 1 96 ALA MB . . 4.820 3.959 3.376 4.943 0.123 16 0 "[ . 1 . 2]" 1
1260 1 30 ILE MG 1 31 SER H . . 3.880 3.458 3.132 3.686 . 0 0 "[ . 1 . 2]" 1
1261 1 30 ILE H 1 30 ILE MG . . 3.990 3.358 3.214 3.580 . 0 0 "[ . 1 . 2]" 1
1262 1 30 ILE MG 1 53 VAL HA . . 3.510 2.002 1.921 2.195 . 0 0 "[ . 1 . 2]" 1
1263 1 30 ILE MG 1 59 ALA HA . . 4.400 3.926 3.844 4.114 . 0 0 "[ . 1 . 2]" 1
1264 1 39 THR HA 1 40 PRO HD2 . . 2.980 2.503 2.343 2.570 . 0 0 "[ . 1 . 2]" 1
1265 1 86 ALA MB 1 87 VAL H . . 3.300 2.436 2.362 2.533 . 0 0 "[ . 1 . 2]" 1
1266 1 86 ALA H 1 86 ALA MB . . 2.960 1.945 1.934 1.953 . 0 0 "[ . 1 . 2]" 1
1267 1 77 ALA H 1 77 ALA MB . . 2.730 2.056 2.043 2.075 . 0 0 "[ . 1 . 2]" 1
1268 1 72 GLU HA 1 77 ALA MB . . 4.310 4.283 4.229 4.354 0.044 12 0 "[ . 1 . 2]" 1
1269 1 50 ILE MG 1 67 GLY H . . 3.860 3.003 2.717 3.214 . 0 0 "[ . 1 . 2]" 1
1270 1 50 ILE MG 1 51 SER H . . 3.400 2.654 2.343 2.869 . 0 0 "[ . 1 . 2]" 1
1271 1 50 ILE MG 1 65 ARG H . . 4.550 4.234 4.011 4.511 . 0 0 "[ . 1 . 2]" 1
1272 1 50 ILE MG 1 66 VAL H . . 4.610 3.815 3.463 4.219 . 0 0 "[ . 1 . 2]" 1
1273 1 31 SER H 1 50 ILE MG . . 3.890 2.928 2.381 3.460 . 0 0 "[ . 1 . 2]" 1
1274 1 50 ILE MG 1 68 ASP H . . 4.250 3.797 3.491 4.061 . 0 0 "[ . 1 . 2]" 1
1275 1 50 ILE MG 1 52 ARG H . . 3.280 2.492 2.088 2.851 . 0 0 "[ . 1 . 2]" 1
1276 1 30 ILE HA 1 50 ILE MG . . 4.460 4.086 3.758 4.462 0.002 4 0 "[ . 1 . 2]" 1
1277 1 50 ILE MG 1 65 ARG HA . . 4.620 4.512 4.241 4.648 0.028 11 0 "[ . 1 . 2]" 1
1278 1 50 ILE MG 1 51 SER HA . . 4.220 3.928 3.730 4.092 . 0 0 "[ . 1 . 2]" 1
1279 1 50 ILE HA 1 50 ILE MG . . 3.190 2.407 2.282 2.530 . 0 0 "[ . 1 . 2]" 1
1280 1 50 ILE MG 1 66 VAL HA . . 3.110 1.978 1.878 2.119 . 0 0 "[ . 1 . 2]" 1
1281 1 50 ILE MG 1 68 ASP HB2 . . 4.610 3.946 3.580 5.179 0.569 19 2 "[ . 1 -. +2]" 1
1282 1 30 ILE HB 1 50 ILE MG . . 3.350 2.838 2.295 3.270 . 0 0 "[ . 1 . 2]" 1
1283 1 33 ALA H 1 48 ILE MG . . 4.170 3.038 2.676 3.556 . 0 0 "[ . 1 . 2]" 1
1284 1 48 ILE MG 1 49 PHE H . . 3.430 2.913 2.511 3.246 . 0 0 "[ . 1 . 2]" 1
1285 1 48 ILE H 1 48 ILE MG . . 4.060 3.685 3.642 3.737 . 0 0 "[ . 1 . 2]" 1
1286 1 32 ILE HA 1 48 ILE MG . . 4.460 3.634 3.472 3.821 . 0 0 "[ . 1 . 2]" 1
1287 1 48 ILE MG 1 49 PHE HA . . 4.390 3.721 3.532 3.863 . 0 0 "[ . 1 . 2]" 1
1288 1 48 ILE HA 1 48 ILE MG . . 3.240 2.476 2.387 2.551 . 0 0 "[ . 1 . 2]" 1
1289 1 32 ILE HB 1 48 ILE MG . . 3.140 2.167 1.958 2.493 . 0 0 "[ . 1 . 2]" 1
1290 1 48 ILE MG 1 70 LEU HB2 . . 3.090 2.627 2.159 3.040 . 0 0 "[ . 1 . 2]" 1
1291 1 48 ILE HG13 1 48 ILE MG . . 3.190 2.461 2.247 2.617 . 0 0 "[ . 1 . 2]" 1
1292 1 48 ILE MG 1 70 LEU HB3 . . 3.630 2.712 2.384 3.072 . 0 0 "[ . 1 . 2]" 1
1293 1 33 ALA HA 1 34 GLY H . . 3.320 2.275 2.187 2.491 . 0 0 "[ . 1 . 2]" 1
1294 1 33 ALA HA 1 83 HIS HE1 . . 3.650 2.556 2.012 3.251 . 0 0 "[ . 1 . 2]" 1
1295 1 59 ALA MB 1 60 ALA H . . 3.450 2.268 2.045 2.536 . 0 0 "[ . 1 . 2]" 1
1296 1 59 ALA H 1 59 ALA MB . . 2.980 2.084 1.999 2.146 . 0 0 "[ . 1 . 2]" 1
1297 1 28 LEU HA 1 59 ALA MB . . 4.530 4.117 2.955 4.549 0.019 1 0 "[ . 1 . 2]" 1
1298 1 96 ALA HA 1 97 VAL H . . 2.780 2.196 2.186 2.217 . 0 0 "[ . 1 . 2]" 1
1299 1 23 ARG H 1 96 ALA HA . . 4.100 3.699 3.408 3.888 . 0 0 "[ . 1 . 2]" 1
1300 1 96 ALA HA 1 97 VAL HB . . 4.580 4.500 4.437 4.638 0.058 13 0 "[ . 1 . 2]" 1
1301 1 22 LEU QD 1 96 ALA HA . . 3.260 2.431 1.958 3.253 . 0 0 "[ . 1 . 2]" 1
1302 1 14 GLU HB3 1 102 TRP HZ2 . . 4.610 4.007 3.859 4.424 . 0 0 "[ . 1 . 2]" 1
1303 1 32 ILE MG 1 33 ALA H . . 3.810 3.768 3.590 3.817 0.007 18 0 "[ . 1 . 2]" 1
1304 1 32 ILE MG 1 51 SER H . . 4.100 3.980 3.648 4.090 . 0 0 "[ . 1 . 2]" 1
1305 1 32 ILE H 1 32 ILE MG . . 3.950 2.809 2.664 3.105 . 0 0 "[ . 1 . 2]" 1
1306 1 32 ILE HA 1 32 ILE MG . . 3.040 2.259 2.100 2.330 . 0 0 "[ . 1 . 2]" 1
1307 1 32 ILE MG 1 50 ILE HA . . 3.270 3.162 2.790 3.275 0.005 8 0 "[ . 1 . 2]" 1
1308 1 8 GLU HA 1 9 PRO HD3 . . 2.930 2.084 1.931 2.390 . 0 0 "[ . 1 . 2]" 1
1309 1 8 GLU QG 1 9 PRO HD3 . . 4.200 3.608 2.501 4.289 0.089 6 0 "[ . 1 . 2]" 1
1310 1 8 GLU HA 1 9 PRO HD2 . . 3.040 2.434 2.198 2.781 . 0 0 "[ . 1 . 2]" 1
1311 1 17 LEU H 1 101 VAL QG . . 3.640 3.403 3.262 3.576 . 0 0 "[ . 1 . 2]" 1
1312 1 8 GLU QG 1 9 PRO HD2 . . 4.520 3.082 2.132 3.951 . 0 0 "[ . 1 . 2]" 1
1313 1 56 GLU HA 1 60 ALA MB . . 4.020 3.903 3.444 4.050 0.030 15 0 "[ . 1 . 2]" 1
1314 1 60 ALA H 1 60 ALA MB . . 2.990 2.084 1.958 2.169 . 0 0 "[ . 1 . 2]" 1
1315 1 60 ALA MB 1 61 ARG H . . 3.410 2.643 2.401 3.007 . 0 0 "[ . 1 . 2]" 1
1316 1 57 GLY H 1 60 ALA MB . . 3.590 2.515 2.262 2.859 . 0 0 "[ . 1 . 2]" 1
1317 1 55 GLU HA 1 60 ALA MB . . 3.410 2.648 2.016 3.178 . 0 0 "[ . 1 . 2]" 1
1318 1 12 ILE MG 1 13 GLU H . . 3.860 2.354 2.086 2.667 . 0 0 "[ . 1 . 2]" 1
1319 1 12 ILE H 1 12 ILE MG . . 3.760 3.761 3.722 3.799 0.039 18 0 "[ . 1 . 2]" 1
1320 1 12 ILE MG 1 13 GLU HA . . 4.390 3.171 3.019 3.364 . 0 0 "[ . 1 . 2]" 1
1321 1 12 ILE MG 1 104 GLU HG3 . . 3.640 2.985 2.494 4.171 0.531 18 1 "[ . 1 . + 2]" 1
1322 1 12 ILE HG12 1 12 ILE MG . . 3.440 2.551 2.074 3.241 . 0 0 "[ . 1 . 2]" 1
1323 1 58 PRO HD3 1 59 ALA H . . 4.410 3.673 3.656 3.733 . 0 0 "[ . 1 . 2]" 1
1324 1 57 GLY HA3 1 58 PRO HD2 . . 3.660 2.463 2.395 2.529 . 0 0 "[ . 1 . 2]" 1
1325 1 89 ALA H 1 89 ALA MB . . 2.780 1.981 1.934 2.067 . 0 0 "[ . 1 . 2]" 1
1326 1 57 GLY HA2 1 58 PRO HD3 . . 3.390 2.268 2.198 2.349 . 0 0 "[ . 1 . 2]" 1
1327 1 58 PRO HD2 1 59 ALA H . . 4.080 2.267 2.253 2.332 . 0 0 "[ . 1 . 2]" 1
1328 1 57 GLY HA2 1 58 PRO HD2 . . 3.630 3.087 3.005 3.176 . 0 0 "[ . 1 . 2]" 1
1329 1 28 LEU HA 1 58 PRO HD2 . . 4.370 3.652 3.237 3.981 . 0 0 "[ . 1 . 2]" 1
1330 1 88 GLU H 1 89 ALA MB . . 4.520 4.444 4.326 4.550 0.030 16 0 "[ . 1 . 2]" 1
1331 1 21 ILE HA 1 62 ALA MB . . 2.920 2.301 2.164 2.558 . 0 0 "[ . 1 . 2]" 1
1332 1 15 GLU HB2 1 103 ARG H . . 4.930 5.084 4.980 5.429 0.499 14 0 "[ . 1 . 2]" 1
1333 1 15 GLU QG 1 17 LEU MD1 . . 4.200 3.177 2.816 3.480 . 0 0 "[ . 1 . 2]" 1
1334 1 16 GLU HB3 1 100 ARG HG2 . . 5.020 3.480 3.277 3.675 . 0 0 "[ . 1 . 2]" 1
1335 1 17 LEU MD1 1 103 ARG HE . . 4.500 4.171 2.333 4.509 0.009 8 0 "[ . 1 . 2]" 1
1336 1 17 LEU MD1 1 103 ARG H . . 4.520 2.740 2.549 2.896 . 0 0 "[ . 1 . 2]" 1
1337 1 16 GLU HA 1 17 LEU MD1 . . 4.570 4.552 4.474 4.670 0.100 12 0 "[ . 1 . 2]" 1
1338 1 21 ILE HA 1 21 ILE HG13 . . 3.640 2.714 2.617 2.817 . 0 0 "[ . 1 . 2]" 1
1339 1 21 ILE HB 1 22 LEU H . . 5.100 3.824 3.677 3.926 . 0 0 "[ . 1 . 2]" 1
1340 1 21 ILE MD 1 59 ALA H . . 4.810 4.492 4.069 4.837 0.027 5 0 "[ . 1 . 2]" 1
1341 1 21 ILE HA 1 22 LEU HA . . 4.460 4.355 4.329 4.380 . 0 0 "[ . 1 . 2]" 1
1342 1 22 LEU QD 1 97 VAL H . . 4.260 3.773 3.310 4.241 . 0 0 "[ . 1 . 2]" 1
1343 1 24 GLN HB2 1 25 THR MG . . 4.940 3.769 2.657 4.944 0.004 17 0 "[ . 1 . 2]" 1
1344 1 24 GLN QG 1 25 THR MG . . 4.680 3.588 2.108 4.478 . 0 0 "[ . 1 . 2]" 1
1345 1 29 GLY HA2 1 54 SER H . . 5.360 4.692 4.291 5.207 . 0 0 "[ . 1 . 2]" 1
1346 1 29 GLY HA3 1 54 SER H . . 5.280 4.073 3.681 4.676 . 0 0 "[ . 1 . 2]" 1
1347 1 29 GLY HA3 1 59 ALA H . . 5.190 3.788 3.703 3.927 . 0 0 "[ . 1 . 2]" 1
1348 1 29 GLY HA2 1 59 ALA H . . 5.030 5.180 4.966 5.237 0.207 8 0 "[ . 1 . 2]" 1
1349 1 29 GLY HA2 1 30 ILE MG . . 4.980 4.412 4.272 4.619 . 0 0 "[ . 1 . 2]" 1
1350 1 29 GLY HA3 1 30 ILE MG . . 4.950 3.970 3.746 4.238 . 0 0 "[ . 1 . 2]" 1
1351 1 29 GLY HA3 1 59 ALA MB . . 5.140 3.753 3.442 3.944 . 0 0 "[ . 1 . 2]" 1
1352 1 29 GLY HA2 1 59 ALA MB . . 4.960 4.558 4.303 4.719 . 0 0 "[ . 1 . 2]" 1
1353 1 30 ILE HA 1 52 ARG HB3 . . 4.920 4.138 3.498 4.529 . 0 0 "[ . 1 . 2]" 1
1354 1 30 ILE HG13 1 31 SER H . . 4.830 4.376 3.906 4.603 . 0 0 "[ . 1 . 2]" 1
1355 1 30 ILE MG 1 54 SER H . . 4.600 2.966 2.430 3.323 . 0 0 "[ . 1 . 2]" 1
1356 1 32 ILE HA 1 51 SER HB3 . . 4.940 3.371 3.020 3.783 . 0 0 "[ . 1 . 2]" 1
1357 1 32 ILE MD 1 33 ALA H . . 4.560 4.178 3.948 4.565 0.005 16 0 "[ . 1 . 2]" 1
1358 1 32 ILE MD 1 86 ALA H . . 4.520 4.353 4.101 4.525 0.005 6 0 "[ . 1 . 2]" 1
1359 1 32 ILE MD 1 86 ALA MB . . 2.800 2.034 1.849 2.131 . 0 0 "[ . 1 . 2]" 1
1360 1 32 ILE MD 1 87 VAL MG2 . . 2.750 2.132 1.941 2.366 . 0 0 "[ . 1 . 2]" 1
1361 1 32 ILE MD 1 32 ILE MG . . 2.630 2.067 1.913 2.321 . 0 0 "[ . 1 . 2]" 1
1362 1 32 ILE HA 1 33 ALA MB . . 4.300 3.773 3.667 3.821 . 0 0 "[ . 1 . 2]" 1
1363 1 34 GLY HA3 1 41 TYR H . . 5.040 3.718 2.950 4.626 . 0 0 "[ . 1 . 2]" 1
1364 1 34 GLY HA3 1 49 PHE H . . 4.810 3.688 3.247 4.239 . 0 0 "[ . 1 . 2]" 1
1365 1 34 GLY HA3 1 49 PHE QD . . 4.900 4.246 3.837 4.694 . 0 0 "[ . 1 . 2]" 1
1366 1 33 ALA MB 1 34 GLY HA3 . . 4.910 4.151 3.876 4.394 . 0 0 "[ . 1 . 2]" 1
1367 1 36 LYS HG3 1 82 GLU QG . . 4.640 4.176 3.271 4.642 0.002 14 0 "[ . 1 . 2]" 1
1368 1 35 GLY HA3 1 38 SER HB2 . . 5.300 4.095 3.119 5.257 . 0 0 "[ . 1 . 2]" 1
1369 1 41 TYR QE 1 49 PHE QD . . 4.790 3.665 2.849 4.478 . 0 0 "[ . 1 . 2]" 1
1370 1 42 LYS HB3 1 49 PHE QE . . 5.410 4.447 3.634 5.138 . 0 0 "[ . 1 . 2]" 1
1371 1 42 LYS HB2 1 49 PHE QE . . 5.020 3.800 3.045 5.401 0.381 16 0 "[ . 1 . 2]" 1
1372 1 42 LYS H 1 42 LYS HG2 . . 4.730 4.088 2.595 4.735 0.005 10 0 "[ . 1 . 2]" 1
1373 1 42 LYS HG2 1 49 PHE QE . . 5.240 4.620 2.828 5.244 0.004 8 0 "[ . 1 . 2]" 1
1374 1 42 LYS HG3 1 49 PHE QE . . 4.940 4.064 2.779 4.940 . 3 0 "[ . 1 . 2]" 1
1375 1 43 GLY HA3 1 45 ASP H . . 4.910 4.399 3.932 4.631 . 0 0 "[ . 1 . 2]" 1
1376 1 43 GLY HA2 1 44 ASP H . . 3.550 2.868 2.209 3.561 0.011 19 0 "[ . 1 . 2]" 1
1377 1 47 GLY HA2 1 48 ILE HB . . 4.990 4.572 4.489 4.662 . 0 0 "[ . 1 . 2]" 1
1378 1 47 GLY HA2 1 48 ILE MD . . 5.070 4.682 4.113 5.000 . 0 0 "[ . 1 . 2]" 1
1379 1 47 GLY HA3 1 69 LYS HG3 . . 5.030 3.383 3.174 3.666 . 0 0 "[ . 1 . 2]" 1
1380 1 32 ILE MD 1 48 ILE MG . . 2.940 2.502 2.148 2.750 . 0 0 "[ . 1 . 2]" 1
1381 1 48 ILE MD 1 83 HIS H . . 4.910 4.087 3.726 4.423 . 0 0 "[ . 1 . 2]" 1
1382 1 36 LYS H 1 48 ILE MD . . 4.340 4.245 3.927 4.336 . 0 0 "[ . 1 . 2]" 1
1383 1 49 PHE HA 1 69 LYS HG3 . . 4.720 4.409 4.165 4.651 . 0 0 "[ . 1 . 2]" 1
1384 1 49 PHE HA 1 50 ILE HG12 . . 5.250 3.763 3.594 3.870 . 0 0 "[ . 1 . 2]" 1
1385 1 50 ILE HG12 1 68 ASP H . . 5.090 3.127 2.910 3.357 . 0 0 "[ . 1 . 2]" 1
1386 1 50 ILE HG13 1 68 ASP H . . 5.030 3.572 3.197 3.803 . 0 0 "[ . 1 . 2]" 1
1387 1 50 ILE MD 1 68 ASP H . . 4.770 4.563 4.330 4.765 . 0 0 "[ . 1 . 2]" 1
1388 1 50 ILE MD 1 52 ARG H . . 4.890 4.274 3.950 4.687 . 0 0 "[ . 1 . 2]" 1
1389 1 41 TYR QD 1 51 SER HB2 . . 4.940 3.487 3.074 4.068 . 0 0 "[ . 1 . 2]" 1
1390 1 33 ALA H 1 51 SER HB2 . . 5.170 4.329 3.691 5.171 0.001 11 0 "[ . 1 . 2]" 1
1391 1 51 SER HB2 1 52 ARG H . . 4.970 4.202 4.057 4.411 . 0 0 "[ . 1 . 2]" 1
1392 1 52 ARG HB2 1 53 VAL H . . 4.330 4.156 4.022 4.260 . 0 0 "[ . 1 . 2]" 1
1393 1 53 VAL MG2 1 67 GLY H . . 4.990 4.584 4.189 4.797 . 0 0 "[ . 1 . 2]" 1
1394 1 54 SER HA 1 55 GLU QG . . 5.130 4.649 3.642 5.134 0.004 12 0 "[ . 1 . 2]" 1
1395 1 52 ARG HG2 1 54 SER HA . . 5.360 4.792 3.887 5.297 . 0 0 "[ . 1 . 2]" 1
1396 1 53 VAL MG1 1 54 SER HA . . 5.000 4.251 4.028 4.386 . 0 0 "[ . 1 . 2]" 1
1397 1 54 SER HB2 1 57 GLY H . . 4.980 3.789 3.394 4.577 . 0 0 "[ . 1 . 2]" 1
1398 1 53 VAL MG1 1 54 SER HB3 . . 5.050 5.151 4.714 5.408 0.358 19 0 "[ . 1 . 2]" 1
1399 1 53 VAL MG1 1 55 GLU HA . . 4.690 3.403 3.258 3.757 . 0 0 "[ . 1 . 2]" 1
1400 1 55 GLU HA 1 57 GLY H . . 4.870 3.996 3.597 4.813 . 0 0 "[ . 1 . 2]" 1
1401 1 55 GLU QG 1 56 GLU H . . 5.160 3.838 1.959 4.497 . 0 0 "[ . 1 . 2]" 1
1402 1 57 GLY HA2 1 58 PRO HG3 . . 5.010 4.495 4.436 4.565 . 0 0 "[ . 1 . 2]" 1
1403 1 57 GLY HA2 1 58 PRO HG2 . . 5.090 4.952 4.880 5.032 . 0 0 "[ . 1 . 2]" 1
1404 1 57 GLY HA3 1 58 PRO HG3 . . 5.140 4.874 4.791 4.950 . 0 0 "[ . 1 . 2]" 1
1405 1 57 GLY HA3 1 58 PRO HG2 . . 5.200 4.694 4.628 4.757 . 0 0 "[ . 1 . 2]" 1
1406 1 57 GLY HA3 1 60 ALA MB . . 4.910 3.779 3.574 4.041 . 0 0 "[ . 1 . 2]" 1
1407 1 22 LEU QB 1 58 PRO HB3 . . 4.800 4.209 3.735 4.452 . 0 0 "[ . 1 . 2]" 1
1408 1 58 PRO HB2 1 59 ALA MB . . 5.000 4.407 4.285 4.539 . 0 0 "[ . 1 . 2]" 1
1409 1 59 ALA MB 1 64 VAL MG1 . . 2.820 1.876 1.771 2.173 . 0 0 "[ . 1 . 2]" 1
1410 1 30 ILE MG 1 59 ALA MB . . 2.510 1.698 1.617 1.822 . 0 0 "[ . 1 . 2]" 1
1411 1 59 ALA MB 1 64 VAL HB . . 2.920 2.907 2.728 2.941 0.021 11 0 "[ . 1 . 2]" 1
1412 1 61 ARG QB 1 61 ARG HD2 . . 3.840 2.930 2.230 3.223 . 0 0 "[ . 1 . 2]" 1
1413 1 21 ILE H 1 62 ALA MB . . 4.850 3.861 3.483 4.168 . 0 0 "[ . 1 . 2]" 1
1414 1 65 ARG HB3 1 103 ARG HE . . 5.140 3.404 2.588 5.052 . 0 0 "[ . 1 . 2]" 1
1415 1 65 ARG HD2 1 103 ARG HE . . 5.180 3.314 1.947 4.476 . 0 0 "[ . 1 . 2]" 1
1416 1 65 ARG H 1 65 ARG HD3 . . 4.920 5.041 4.066 5.771 0.851 11 9 "[*** . *-+ .** *2]" 1
1417 1 65 ARG H 1 68 ASP HB3 . . 5.000 4.288 3.265 4.586 . 0 0 "[ . 1 . 2]" 1
1418 1 68 ASP HB3 1 102 TRP H . . 4.910 4.174 3.598 5.697 0.787 19 2 "[ . 1 -. +2]" 1
1419 1 69 LYS HB3 1 102 TRP HZ3 . . 4.870 4.917 4.889 4.956 0.086 11 0 "[ . 1 . 2]" 1
1420 1 49 PHE QE 1 69 LYS HG3 . . 5.020 2.646 2.171 3.442 . 0 0 "[ . 1 . 2]" 1
1421 1 48 ILE H 1 69 LYS QE . . 4.430 4.281 3.862 4.437 0.007 9 0 "[ . 1 . 2]" 1
1422 1 71 LEU MD2 1 102 TRP HA . . 4.840 4.092 3.992 4.318 . 0 0 "[ . 1 . 2]" 1
1423 1 71 LEU MD2 1 102 TRP HD1 . . 4.650 4.079 3.897 4.551 . 0 0 "[ . 1 . 2]" 1
1424 1 71 LEU MD2 1 102 TRP HE3 . . 4.680 3.813 3.720 3.956 . 0 0 "[ . 1 . 2]" 1
1425 1 72 GLU QB 1 73 VAL MG2 . . 5.230 4.460 4.272 4.696 . 0 0 "[ . 1 . 2]" 1
1426 1 73 VAL HB 1 74 ASN H . . 5.110 4.587 4.454 4.671 . 0 0 "[ . 1 . 2]" 1
1427 1 73 VAL HA 1 75 GLY H . . 4.930 3.472 3.333 3.567 . 0 0 "[ . 1 . 2]" 1
1428 1 74 ASN HB3 1 76 VAL MG1 . . 4.710 3.673 3.198 4.766 0.056 11 0 "[ . 1 . 2]" 1
1429 1 74 ASN HB3 1 75 GLY H . . 4.750 3.921 3.784 4.464 . 0 0 "[ . 1 . 2]" 1
1430 1 74 ASN HB3 1 76 VAL H . . 5.030 3.361 3.092 4.415 . 0 0 "[ . 1 . 2]" 1
1431 1 74 ASN HB2 1 75 GLY H . . 5.020 4.053 3.764 4.115 . 0 0 "[ . 1 . 2]" 1
1432 1 74 ASN HB2 1 98 GLN H . . 5.090 4.734 4.159 5.122 0.032 11 0 "[ . 1 . 2]" 1
1433 1 76 VAL MG2 1 78 LEU MD2 . . 3.150 2.680 2.432 2.940 . 0 0 "[ . 1 . 2]" 1
1434 1 76 VAL MG2 1 89 ALA MB . . 3.330 2.608 2.040 3.008 . 0 0 "[ . 1 . 2]" 1
1435 1 76 VAL MG2 1 77 ALA MB . . 3.620 3.666 3.604 3.730 0.110 6 0 "[ . 1 . 2]" 1
1436 1 73 VAL H 1 78 LEU MD2 . . 4.500 4.387 4.079 4.520 0.020 18 0 "[ . 1 . 2]" 1
1437 1 81 ALA MB 1 85 GLU HB2 . . 3.140 2.100 1.987 2.208 . 0 0 "[ . 1 . 2]" 1
1438 1 81 ALA MB 1 85 GLU HB3 . . 3.340 2.197 1.953 2.648 . 0 0 "[ . 1 . 2]" 1
1439 1 36 LYS HG2 1 82 GLU QG . . 4.420 3.094 2.055 4.053 . 0 0 "[ . 1 . 2]" 1
1440 1 84 HIS HB2 1 87 VAL HB . . 4.890 4.327 4.123 4.509 . 0 0 "[ . 1 . 2]" 1
1441 1 84 HIS HB2 1 87 VAL MG2 . . 5.130 5.024 4.755 5.134 0.004 11 0 "[ . 1 . 2]" 1
1442 1 84 HIS HB3 1 87 VAL MG2 . . 5.130 4.959 4.714 5.122 . 0 0 "[ . 1 . 2]" 1
1443 1 84 HIS HB3 1 87 VAL HB . . 5.090 4.919 4.792 5.055 . 0 0 "[ . 1 . 2]" 1
1444 1 85 GLU HA 1 89 ALA H . . 4.730 4.135 3.686 4.568 . 0 0 "[ . 1 . 2]" 1
1445 1 86 ALA HA 1 88 GLU H . . 4.830 4.741 4.548 4.835 0.005 5 0 "[ . 1 . 2]" 1
1446 1 85 GLU H 1 86 ALA MB . . 4.550 4.401 4.236 4.472 . 0 0 "[ . 1 . 2]" 1
1447 1 86 ALA MB 1 88 GLU H . . 4.640 4.615 4.513 4.652 0.012 11 0 "[ . 1 . 2]" 1
1448 1 78 LEU MD1 1 86 ALA MB . . 2.670 2.309 1.983 2.634 . 0 0 "[ . 1 . 2]" 1
1449 1 85 GLU HA 1 88 GLU HB2 . . 3.800 2.908 2.637 3.068 . 0 0 "[ . 1 . 2]" 1
1450 1 88 GLU HB3 1 89 ALA MB . . 5.060 3.917 3.820 4.141 . 0 0 "[ . 1 . 2]" 1
1451 1 88 GLU HB2 1 89 ALA MB . . 5.350 4.639 4.525 4.731 . 0 0 "[ . 1 . 2]" 1
1452 1 87 VAL MG1 1 88 GLU HB2 . . 5.290 4.442 4.270 4.670 . 0 0 "[ . 1 . 2]" 1
1453 1 87 VAL MG1 1 88 GLU HB3 . . 5.500 5.296 5.148 5.458 . 0 0 "[ . 1 . 2]" 1
1454 1 87 VAL MG1 1 88 GLU QG . . 4.580 4.151 3.667 4.398 . 0 0 "[ . 1 . 2]" 1
1455 1 76 VAL HB 1 89 ALA MB . . 3.650 3.594 3.216 3.665 0.015 13 0 "[ . 1 . 2]" 1
1456 1 73 VAL HB 1 89 ALA MB . . 3.300 2.634 2.130 2.938 . 0 0 "[ . 1 . 2]" 1
1457 1 78 LEU MD2 1 89 ALA MB . . 3.280 2.048 1.868 2.361 . 0 0 "[ . 1 . 2]" 1
1458 1 90 LEU HB3 1 90 LEU MD2 . . 2.990 2.269 2.168 2.370 . 0 0 "[ . 1 . 2]" 1
1459 1 91 ARG QB 1 92 GLY HA3 . . 5.030 4.448 4.034 5.124 0.094 15 0 "[ . 1 . 2]" 1
1460 1 91 ARG QB 1 92 GLY HA2 . . 4.910 4.192 3.855 4.821 . 0 0 "[ . 1 . 2]" 1
1461 1 92 GLY HA2 1 93 ALA MB . . 5.090 4.223 4.162 4.382 . 0 0 "[ . 1 . 2]" 1
1462 1 92 GLY HA3 1 93 ALA MB . . 5.160 4.310 4.239 4.434 . 0 0 "[ . 1 . 2]" 1
1463 1 93 ALA MB 1 98 GLN H . . 4.580 4.216 3.805 4.537 . 0 0 "[ . 1 . 2]" 1
1464 1 23 ARG H 1 95 THR HB . . 4.970 3.995 3.243 4.975 0.005 8 0 "[ . 1 . 2]" 1
1465 1 23 ARG H 1 96 ALA MB . . 4.840 4.828 4.717 4.882 0.042 7 0 "[ . 1 . 2]" 1
1466 1 23 ARG QB 1 97 VAL MG2 . . 3.520 2.890 2.164 3.577 0.057 7 0 "[ . 1 . 2]" 1
1467 1 18 THR HA 1 100 ARG HB3 . . 5.100 4.939 4.741 5.082 . 0 0 "[ . 1 . 2]" 1
1468 1 17 LEU QB 1 101 VAL QG . . 2.900 2.088 1.947 2.267 . 0 0 "[ . 1 . 2]" 1
1469 1 106 GLY HA3 1 107 PRO QG . . 5.280 4.382 3.923 4.837 . 0 0 "[ . 1 . 2]" 1
1470 1 106 GLY HA2 1 107 PRO QD . . 2.820 2.156 1.854 2.718 . 0 0 "[ . 1 . 2]" 1
1471 1 106 GLY HA3 1 107 PRO QD . . 2.930 2.446 1.977 2.932 0.002 9 0 "[ . 1 . 2]" 1
1472 1 42 LYS QD 1 49 PHE HZ . . 5.040 4.206 2.859 5.014 . 0 0 "[ . 1 . 2]" 1
1473 1 49 PHE HZ 1 69 LYS QE . . 5.020 3.050 2.475 3.512 . 0 0 "[ . 1 . 2]" 1
1474 1 45 ASP HB2 1 49 PHE HZ . . 5.440 3.863 3.051 4.154 . 0 0 "[ . 1 . 2]" 1
1475 1 99 MET HG2 1 100 ARG H . . 4.550 4.319 4.217 4.415 . 0 0 "[ . 1 . 2]" 1
1476 1 98 GLN HA 1 99 MET HG3 . . 4.930 4.299 3.715 4.654 . 0 0 "[ . 1 . 2]" 1
1477 1 98 GLN HA 1 99 MET HG2 . . 4.780 4.687 4.388 4.889 0.109 12 0 "[ . 1 . 2]" 1
1478 1 18 THR MG 1 100 ARG HB3 . . 5.130 4.502 3.900 5.109 . 0 0 "[ . 1 . 2]" 1
1479 1 100 ARG HA 1 100 ARG QD . . 4.820 4.064 3.845 4.153 . 0 0 "[ . 1 . 2]" 1
1480 1 72 GLU QG 1 76 VAL H . . 4.040 3.434 2.706 4.043 0.003 17 0 "[ . 1 . 2]" 1
1481 1 21 ILE MD 1 99 MET ME . . 2.600 1.879 1.618 2.263 . 0 0 "[ . 1 . 2]" 1
1482 1 70 LEU HB2 1 71 LEU H . . 4.560 4.390 4.217 4.545 . 0 0 "[ . 1 . 2]" 1
1483 1 23 ARG HD3 1 95 THR HA . . 4.330 3.548 2.908 4.826 0.496 7 0 "[ . 1 . 2]" 1
1484 1 23 ARG HD2 1 95 THR HA . . 4.820 4.252 3.052 4.824 0.004 10 0 "[ . 1 . 2]" 1
1485 1 22 LEU HA 1 23 ARG QB . . 5.050 4.035 3.959 4.275 . 0 0 "[ . 1 . 2]" 1
1486 1 70 LEU HG 1 71 LEU H . . 4.880 3.943 2.635 4.755 . 0 0 "[ . 1 . 2]" 1
1487 1 70 LEU HG 1 72 GLU H . . 5.090 4.513 3.277 5.122 0.032 17 0 "[ . 1 . 2]" 1
1488 1 64 VAL MG1 1 65 ARG H . . 3.900 3.464 3.259 3.667 . 0 0 "[ . 1 . 2]" 1
1489 1 91 ARG H 1 91 ARG HD2 . . 5.360 4.235 2.966 4.766 . 0 0 "[ . 1 . 2]" 1
1490 1 91 ARG H 1 91 ARG HD3 . . 5.270 3.967 2.541 4.620 . 0 0 "[ . 1 . 2]" 1
1491 1 28 LEU HA 1 59 ALA H . . 5.010 4.147 3.281 4.528 . 0 0 "[ . 1 . 2]" 1
1492 1 36 LYS HG3 1 37 GLY HA2 . . 5.430 4.280 3.425 5.410 . 0 0 "[ . 1 . 2]" 1
1493 1 36 LYS HG2 1 37 GLY HA3 . . 5.020 3.659 3.075 4.225 . 0 0 "[ . 1 . 2]" 1
1494 1 36 LYS QB 1 37 GLY HA3 . . 4.980 4.589 4.058 4.806 . 0 0 "[ . 1 . 2]" 1
1495 1 70 LEU HB3 1 71 LEU H . . 4.750 3.733 3.379 3.928 . 0 0 "[ . 1 . 2]" 1
1496 1 11 ARG HA 1 11 ARG HG2 . . 4.180 2.461 1.994 3.354 . 0 0 "[ . 1 . 2]" 1
1497 1 17 LEU HA 1 17 LEU MD1 . . 4.310 4.033 4.003 4.050 . 0 0 "[ . 1 . 2]" 1
1498 1 80 GLY HA2 1 81 ALA MB . . 5.210 4.673 4.496 4.990 . 0 0 "[ . 1 . 2]" 1
1499 1 74 ASN H 1 97 VAL MG1 . . 4.560 3.959 3.410 4.368 . 0 0 "[ . 1 . 2]" 1
1500 1 104 GLU H 1 104 GLU QB . . 3.250 2.297 2.163 2.597 . 0 0 "[ . 1 . 2]" 1
1501 1 12 ILE MG 1 104 GLU HG2 . . 4.480 3.737 3.049 4.422 . 0 0 "[ . 1 . 2]" 1
1502 1 104 GLU HA 1 104 GLU HG2 . . 3.900 2.583 2.019 3.771 . 0 0 "[ . 1 . 2]" 1
1503 1 21 ILE MD 1 99 MET HB2 . . 3.890 3.111 2.564 3.481 . 0 0 "[ . 1 . 2]" 1
1504 1 17 LEU HA 1 17 LEU HG . . 3.850 3.258 3.188 3.350 . 0 0 "[ . 1 . 2]" 1
1505 1 23 ARG QG 1 95 THR HA . . 4.380 3.706 2.905 3.935 . 0 0 "[ . 1 . 2]" 1
1506 1 73 VAL HA 1 97 VAL MG1 . . 4.390 4.271 3.978 4.412 0.022 8 0 "[ . 1 . 2]" 1
1507 1 53 VAL MG2 1 66 VAL MG2 . . 2.990 2.050 1.884 2.261 . 0 0 "[ . 1 . 2]" 1
1508 1 52 ARG HA 1 53 VAL HB . . 5.040 4.230 4.134 4.361 . 0 0 "[ . 1 . 2]" 1
1509 1 90 LEU HB3 1 90 LEU MD1 . . 3.090 2.531 2.470 2.627 . 0 0 "[ . 1 . 2]" 1
1510 1 74 ASN HB3 1 93 ALA HA . . 4.880 4.681 4.006 4.886 0.006 19 0 "[ . 1 . 2]" 1
1511 1 74 ASN HB2 1 93 ALA HA . . 4.860 4.420 4.182 4.704 . 0 0 "[ . 1 . 2]" 1
1512 1 93 ALA HA 1 97 VAL MG2 . . 4.990 3.739 3.500 4.097 . 0 0 "[ . 1 . 2]" 1
1513 1 22 LEU QD 1 95 THR HB . . 5.030 3.560 2.554 4.405 . 0 0 "[ . 1 . 2]" 1
1514 1 72 GLU HA 1 78 LEU HB3 . . 5.040 4.982 4.645 5.117 0.077 18 0 "[ . 1 . 2]" 1
1515 1 23 ARG QG 1 27 GLY HA2 . . 5.270 2.841 2.017 3.584 . 0 0 "[ . 1 . 2]" 1
1516 1 27 GLY HA2 1 28 LEU HG . . 5.310 4.103 3.198 5.326 0.016 2 0 "[ . 1 . 2]" 1
1517 1 23 ARG QG 1 27 GLY HA3 . . 4.860 4.213 3.359 5.116 0.256 1 0 "[ . 1 . 2]" 1
1518 1 27 GLY HA3 1 28 LEU HG . . 5.160 4.273 3.222 5.374 0.214 7 0 "[ . 1 . 2]" 1
1519 1 28 LEU QD 1 90 LEU MD2 . . 3.020 2.163 1.738 2.903 . 0 0 "[ . 1 . 2]" 1
1520 1 16 GLU HG3 1 100 ARG HG2 . . 4.640 4.625 4.199 4.693 0.053 18 0 "[ . 1 . 2]" 1
1521 1 16 GLU HG2 1 100 ARG HG2 . . 4.550 3.518 3.265 3.716 . 0 0 "[ . 1 . 2]" 1
1522 1 15 GLU HA 1 16 GLU HB2 . . 5.170 4.591 4.467 4.633 . 0 0 "[ . 1 . 2]" 1
1523 1 16 GLU HG3 1 102 TRP HB2 . . 4.730 3.827 2.795 4.154 . 0 0 "[ . 1 . 2]" 1
1524 1 16 GLU HG2 1 102 TRP HB2 . . 4.530 4.508 4.163 4.572 0.042 17 0 "[ . 1 . 2]" 1
1525 1 15 GLU H 1 102 TRP HA . . 4.920 4.535 4.329 4.903 . 0 0 "[ . 1 . 2]" 1
1526 1 16 GLU HG3 1 102 TRP HA . . 4.840 3.833 3.055 4.019 . 0 0 "[ . 1 . 2]" 1
1527 1 14 GLU HB2 1 102 TRP HZ3 . . 4.730 3.188 3.044 3.350 . 0 0 "[ . 1 . 2]" 1
1528 1 14 GLU QG 1 102 TRP HZ3 . . 5.150 4.430 4.112 4.684 . 0 0 "[ . 1 . 2]" 1
1529 1 49 PHE HA 1 70 LEU HB3 . . 5.180 5.101 4.713 5.366 0.186 14 0 "[ . 1 . 2]" 1
1530 1 70 LEU HG 1 99 MET HA . . 5.290 5.186 4.312 5.379 0.089 14 0 "[ . 1 . 2]" 1
1531 1 68 ASP HA 1 101 VAL HB . . 4.920 3.695 3.485 3.869 . 0 0 "[ . 1 . 2]" 1
1532 1 49 PHE HA 1 70 LEU HB2 . . 5.480 3.980 3.588 4.379 . 0 0 "[ . 1 . 2]" 1
1533 1 70 LEU QD 1 99 MET HB3 . . 3.390 2.149 1.877 2.629 . 0 0 "[ . 1 . 2]" 1
1534 1 70 LEU QD 1 99 MET ME . . 3.430 3.131 2.609 3.394 . 0 0 "[ . 1 . 2]" 1
1535 1 44 ASP HB2 1 45 ASP H . . 5.310 4.438 3.340 4.677 . 0 0 "[ . 1 . 2]" 1
1536 1 44 ASP HB3 1 45 ASP H . . 5.210 4.285 2.118 4.709 . 0 0 "[ . 1 . 2]" 1
1537 1 15 GLU QG 1 105 SER QB . . 3.780 3.121 2.772 3.561 . 0 0 "[ . 1 . 2]" 1
1538 1 76 VAL MG1 1 89 ALA MB . . 3.450 1.778 1.730 1.833 . 0 0 "[ . 1 . 2]" 1
1539 1 33 ALA HA 1 34 GLY HA2 . . 4.930 4.480 4.364 4.645 . 0 0 "[ . 1 . 2]" 1
1540 1 20 THR MG 1 21 ILE HA . . 4.530 4.231 4.048 4.461 . 0 0 "[ . 1 . 2]" 1
1541 1 21 ILE HG12 1 22 LEU H . . 5.320 4.450 4.352 4.559 . 0 0 "[ . 1 . 2]" 1
1542 1 21 ILE HG13 1 22 LEU H . . 5.340 4.789 4.703 4.884 . 0 0 "[ . 1 . 2]" 1
1543 1 21 ILE MG 1 97 VAL H . . 4.960 4.260 3.980 4.479 . 0 0 "[ . 1 . 2]" 1
1544 1 21 ILE MD 1 22 LEU H . . 4.940 4.964 4.891 5.000 0.060 16 0 "[ . 1 . 2]" 1
1545 1 20 THR H 1 21 ILE MD . . 5.280 5.007 4.813 5.284 0.004 3 0 "[ . 1 . 2]" 1
1546 1 21 ILE MG 1 22 LEU QB . . 5.010 3.751 3.678 3.846 . 0 0 "[ . 1 . 2]" 1
1547 1 23 ARG HA 1 24 GLN QG . . 4.950 3.986 2.913 4.952 0.002 3 0 "[ . 1 . 2]" 1
1548 1 58 PRO HG2 1 59 ALA H . . 4.790 2.847 2.550 3.105 . 0 0 "[ . 1 . 2]" 1
1549 1 58 PRO HD2 1 59 ALA MB . . 5.450 3.471 3.402 3.531 . 0 0 "[ . 1 . 2]" 1
1550 1 21 ILE MG 1 58 PRO HD2 . . 5.090 4.291 4.134 4.437 . 0 0 "[ . 1 . 2]" 1
1551 1 21 ILE MG 1 58 PRO HD3 . . 5.500 4.979 4.918 5.058 . 0 0 "[ . 1 . 2]" 1
1552 1 36 LYS QE 1 80 GLY HA3 . . 5.120 4.209 3.054 5.124 0.004 9 0 "[ . 1 . 2]" 1
1553 1 17 LEU QB 1 101 VAL HB . . 4.730 4.675 4.525 4.789 0.059 12 0 "[ . 1 . 2]" 1
1554 1 48 ILE MD 1 86 ALA MB . . 2.770 2.424 2.106 2.752 . 0 0 "[ . 1 . 2]" 1
1555 1 32 ILE MD 1 83 HIS HE1 . . 4.200 3.343 2.804 3.753 . 0 0 "[ . 1 . 2]" 1
1556 1 32 ILE MG 1 83 HIS HE1 . . 5.500 5.043 4.755 5.495 . 0 0 "[ . 1 . 2]" 1
1557 1 32 ILE HG12 1 83 HIS HE1 . . 4.630 4.017 3.417 4.625 . 0 0 "[ . 1 . 2]" 1
1558 1 32 ILE HG13 1 83 HIS HE1 . . 3.740 2.415 2.003 2.899 . 0 0 "[ . 1 . 2]" 1
1559 1 33 ALA MB 1 83 HIS HE1 . . 4.620 4.034 3.725 4.330 . 0 0 "[ . 1 . 2]" 1
1560 1 32 ILE HB 1 83 HIS HE1 . . 4.990 4.156 3.369 4.769 . 0 0 "[ . 1 . 2]" 1
1561 1 34 GLY H 1 83 HIS HE1 . . 4.690 3.675 2.440 4.666 . 0 0 "[ . 1 . 2]" 1
1562 1 84 HIS HE1 1 85 GLU HG3 . . 4.050 3.326 2.899 3.918 . 0 0 "[ . 1 . 2]" 1
1563 1 84 HIS HE1 1 85 GLU HG2 . . 4.720 2.627 2.220 4.559 . 0 0 "[ . 1 . 2]" 1
1564 1 82 GLU HB2 1 84 HIS HE1 . . 4.530 4.202 2.741 4.513 . 0 0 "[ . 1 . 2]" 1
1565 1 82 GLU HB3 1 84 HIS HD2 . . 4.680 2.340 1.997 4.636 . 0 0 "[ . 1 . 2]" 1
1566 1 82 GLU HB2 1 84 HIS HD2 . . 4.400 2.437 2.012 4.276 . 0 0 "[ . 1 . 2]" 1
1567 1 84 HIS HD2 1 85 GLU HA . . 5.500 5.038 2.366 5.484 . 0 0 "[ . 1 . 2]" 1
1568 1 48 ILE MG 1 49 PHE QD . . 5.200 4.415 4.140 4.690 . 0 0 "[ . 1 . 2]" 1
1569 1 36 LYS QE 1 80 GLY HA2 . . 5.350 4.465 2.832 5.098 . 0 0 "[ . 1 . 2]" 1
1570 1 36 LYS QB 1 80 GLY HA2 . . 4.970 3.671 2.993 4.086 . 0 0 "[ . 1 . 2]" 1
1571 1 18 THR MG 1 98 GLN HA . . 4.610 4.025 3.797 4.517 . 0 0 "[ . 1 . 2]" 1
1572 1 20 THR MG 1 98 GLN HG3 . . 4.620 2.883 2.371 3.509 . 0 0 "[ . 1 . 2]" 1
1573 1 20 THR MG 1 98 GLN HG2 . . 4.650 4.240 3.861 4.657 0.007 13 0 "[ . 1 . 2]" 1
1574 1 77 ALA MB 1 79 GLN HB3 . . 4.960 4.080 3.447 4.742 . 0 0 "[ . 1 . 2]" 1
1575 1 77 ALA MB 1 79 GLN HB2 . . 4.650 3.263 2.749 4.373 . 0 0 "[ . 1 . 2]" 1
1576 1 72 GLU HA 1 78 LEU MD2 . . 4.490 4.415 4.281 4.506 0.016 12 0 "[ . 1 . 2]" 1
1577 1 32 ILE MD 1 83 HIS HD2 . . 4.570 4.019 2.584 4.509 . 0 0 "[ . 1 . 2]" 1
1578 1 32 ILE MD 1 86 ALA HA . . 4.460 4.366 4.087 4.465 0.005 19 0 "[ . 1 . 2]" 1
1579 1 32 ILE MD 1 83 HIS HA . . 4.830 3.333 2.904 3.766 . 0 0 "[ . 1 . 2]" 1
1580 1 32 ILE MD 1 87 VAL HB . . 4.530 4.393 4.079 4.533 0.003 3 0 "[ . 1 . 2]" 1
1581 1 64 VAL HB 1 65 ARG H . . 4.850 4.090 4.007 4.183 . 0 0 "[ . 1 . 2]" 1
1582 1 50 ILE HG13 1 64 VAL MG2 . . 3.110 2.492 2.382 2.624 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 7
_Distance_constraint_stats_list.Viol_count 113
_Distance_constraint_stats_list.Viol_total 1422.541
_Distance_constraint_stats_list.Viol_max 1.072
_Distance_constraint_stats_list.Viol_rms 0.3726
_Distance_constraint_stats_list.Viol_average_all_restraints 0.5081
_Distance_constraint_stats_list.Viol_average_violations_only 0.6294
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 13 GLU 15.054 0.949 20 20 [*******-***********+]
1 14 GLU 48.428 1.072 2 20 [*+****************-*]
1 15 GLU 0.648 0.115 13 0 "[ . 1 . 2]"
1 23 ARG 9.363 0.644 11 11 "[ ***- **+ * ***2]"
1 24 GLN 9.363 0.644 11 11 "[ ***- **+ * ***2]"
1 79 GLN 12.689 0.959 1 14 "[+ ***-* **** ** ** 2]"
1 80 GLY 12.689 0.959 1 14 "[+ ***-* **** ** ** 2]"
1 102 TRP 34.022 1.072 2 20 [*+****************-*]
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 14 GLU HA 1 102 TRP HZ2 . . 4.000 4.726 4.430 4.882 0.882 2 19 [*+**.*************-*] 2
2 1 14 GLU HA 1 102 TRP HE1 . . 4.000 4.942 4.835 5.072 1.072 2 20 [*+**-***************] 2
3 1 15 GLU HA 1 102 TRP HD1 . . 3.500 3.454 3.388 3.528 0.028 6 0 "[ . 1 . 2]" 2
4 1 15 GLU H 1 102 TRP HE1 . . 4.000 4.028 3.980 4.115 0.115 13 0 "[ . 1 . 2]" 2
5 1 13 GLU QG 1 14 GLU H . . 3.000 3.753 3.577 3.949 0.949 20 20 [*******-***********+] 2
6 1 23 ARG H 1 24 GLN H . . 4.000 4.468 4.091 4.644 0.644 11 11 "[ ***- **+ * ***2]" 2
7 1 79 GLN H 1 80 GLY H . . 3.500 4.130 3.421 4.459 0.959 1 14 "[+ ***-* **** ** ** 2]" 2
stop_
save_
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