NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
427959 |
2hvz   |
7257 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2hvz
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 912
_Distance_constraint_stats_list.Viol_count 1053
_Distance_constraint_stats_list.Viol_total 851.151
_Distance_constraint_stats_list.Viol_max 0.434
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0404
_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 1 MET 0.413 0.096 20 0 "[ . 1 . 2]"
1 2 LYS 0.563 0.061 19 0 "[ . 1 . 2]"
1 3 VAL 2.337 0.195 7 0 "[ . 1 . 2]"
1 4 TYR 2.670 0.258 9 0 "[ . 1 . 2]"
1 5 VAL 2.227 0.146 8 0 "[ . 1 . 2]"
1 6 GLY 0.814 0.106 19 0 "[ . 1 . 2]"
1 7 ASN 0.581 0.030 13 0 "[ . 1 . 2]"
1 8 LEU 1.050 0.095 14 0 "[ . 1 . 2]"
1 9 GLY 0.251 0.037 7 0 "[ . 1 . 2]"
1 10 THR 0.955 0.148 18 0 "[ . 1 . 2]"
1 11 GLY 0.835 0.148 18 0 "[ . 1 . 2]"
1 12 ALA 0.567 0.110 20 0 "[ . 1 . 2]"
1 13 GLY 1.812 0.202 20 0 "[ . 1 . 2]"
1 14 LYS 0.338 0.064 16 0 "[ . 1 . 2]"
1 15 GLY 0.024 0.005 13 0 "[ . 1 . 2]"
1 16 GLU 1.560 0.202 20 0 "[ . 1 . 2]"
1 17 LEU 1.262 0.090 10 0 "[ . 1 . 2]"
1 18 GLU 0.040 0.024 4 0 "[ . 1 . 2]"
1 19 ARG 0.347 0.049 13 0 "[ . 1 . 2]"
1 20 ALA 0.124 0.059 19 0 "[ . 1 . 2]"
1 21 PHE 2.442 0.155 20 0 "[ . 1 . 2]"
1 22 SER 0.231 0.051 8 0 "[ . 1 . 2]"
1 23 TYR 0.330 0.027 3 0 "[ . 1 . 2]"
1 24 TYR 0.398 0.071 20 0 "[ . 1 . 2]"
1 25 GLY 0.192 0.026 4 0 "[ . 1 . 2]"
1 26 PRO 0.321 0.164 19 0 "[ . 1 . 2]"
1 27 LEU 2.481 0.195 7 0 "[ . 1 . 2]"
1 28 ARG 0.203 0.039 7 0 "[ . 1 . 2]"
1 29 THR 0.199 0.049 5 0 "[ . 1 . 2]"
1 30 VAL 0.101 0.031 7 0 "[ . 1 . 2]"
1 31 TRP 0.153 0.031 7 0 "[ . 1 . 2]"
1 32 ILE 1.887 0.132 14 0 "[ . 1 . 2]"
1 33 ALA 0.609 0.087 20 0 "[ . 1 . 2]"
1 34 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.472 0.087 20 0 "[ . 1 . 2]"
1 39 PHE 0.948 0.065 18 0 "[ . 1 . 2]"
1 40 ALA 1.034 0.132 14 0 "[ . 1 . 2]"
1 41 PHE 0.070 0.021 12 0 "[ . 1 . 2]"
1 42 VAL 0.634 0.073 7 0 "[ . 1 . 2]"
1 43 GLU 0.345 0.049 5 0 "[ . 1 . 2]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ASP 0.093 0.037 3 0 "[ . 1 . 2]"
1 47 PRO 0.190 0.190 18 0 "[ . 1 . 2]"
1 48 ARG 0.256 0.190 18 0 "[ . 1 . 2]"
1 49 ASP 0.045 0.038 18 0 "[ . 1 . 2]"
1 50 ALA 0.592 0.096 20 0 "[ . 1 . 2]"
1 51 GLU 0.043 0.026 19 0 "[ . 1 . 2]"
1 52 ASP 0.169 0.033 15 0 "[ . 1 . 2]"
1 53 ALA 1.497 0.199 13 0 "[ . 1 . 2]"
1 54 VAL 2.437 0.349 7 0 "[ . 1 . 2]"
1 55 ARG 2.191 0.349 7 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 1.909 0.325 20 0 "[ . 1 . 2]"
1 58 ASP 1.332 0.181 20 0 "[ . 1 . 2]"
1 59 GLY 0.107 0.041 15 0 "[ . 1 . 2]"
1 60 LYS 0.719 0.219 11 0 "[ . 1 . 2]"
1 61 VAL 1.720 0.127 11 0 "[ . 1 . 2]"
1 62 ILE 0.575 0.061 8 0 "[ . 1 . 2]"
1 63 CYS 0.300 0.061 8 0 "[ . 1 . 2]"
1 64 GLY 0.876 0.066 20 0 "[ . 1 . 2]"
1 65 SER 0.027 0.015 10 0 "[ . 1 . 2]"
1 66 ARG 0.887 0.228 14 0 "[ . 1 . 2]"
1 67 VAL 0.437 0.228 14 0 "[ . 1 . 2]"
1 68 ARG 0.263 0.040 16 0 "[ . 1 . 2]"
1 69 VAL 1.411 0.106 19 0 "[ . 1 . 2]"
1 70 GLU 0.030 0.020 7 0 "[ . 1 . 2]"
1 71 LEU 0.430 0.055 9 0 "[ . 1 . 2]"
1 72 SER 0.293 0.055 9 0 "[ . 1 . 2]"
1 73 THR 0.977 0.061 19 0 "[ . 1 . 2]"
1 74 GLY 0.383 0.044 8 0 "[ . 1 . 2]"
1 75 MET 0.481 0.090 16 0 "[ . 1 . 2]"
1 76 PRO 1.148 0.058 7 0 "[ . 1 . 2]"
1 77 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 0.024 0.012 17 0 "[ . 1 . 2]"
1 79 SER 3.420 0.283 9 0 "[ . 1 . 2]"
1 80 ARG 0.002 0.002 13 0 "[ . 1 . 2]"
1 81 PHE 4.474 0.283 9 0 "[ . 1 . 2]"
1 82 ASP 0.322 0.042 2 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PRO 1.721 0.090 16 0 "[ . 1 . 2]"
1 86 ALA 1.059 0.178 10 0 "[ . 1 . 2]"
1 87 ARG 1.616 0.178 10 0 "[ . 1 . 2]"
1 88 ARG 0.052 0.031 18 0 "[ . 1 . 2]"
1 89 LYS 0.627 0.146 1 0 "[ . 1 . 2]"
1 90 LEU 1.418 0.264 20 0 "[ . 1 . 2]"
1 91 LEU 2.244 0.264 20 0 "[ . 1 . 2]"
1 92 GLU 1.736 0.197 8 0 "[ . 1 . 2]"
1 93 VAL 0.456 0.110 8 0 "[ . 1 . 2]"
1 94 LEU 0.697 0.421 13 0 "[ . 1 . 2]"
1 95 PHE 0.425 0.381 13 0 "[ . 1 . 2]"
1 96 ASN 0.963 0.421 13 0 "[ . 1 . 2]"
1 97 GLY 0.028 0.012 6 0 "[ . 1 . 2]"
1 98 PRO 0.004 0.002 19 0 "[ . 1 . 2]"
1 99 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 2.555 0.434 17 0 "[ . 1 . 2]"
1 101 HIS 2.411 0.434 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 LYS QG . . 4.340 3.897 3.327 4.298 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET QB 1 1 MET ME . . 4.040 2.859 1.886 3.713 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET QB 1 2 LYS H . . 4.020 2.902 1.936 3.998 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET QB 1 50 ALA MB . . 4.550 3.041 2.089 3.997 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET ME 1 50 ALA H . . 5.500 4.496 3.523 5.511 0.011 5 0 "[ . 1 . 2]" 1
6 1 1 MET QG 1 2 LYS H . . 4.620 2.918 1.978 4.336 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QG 1 50 ALA H . . 4.140 4.006 3.644 4.236 0.096 20 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 50 ALA MB . . 3.630 2.201 1.829 2.944 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET QG 1 71 LEU QD . . 4.430 3.036 1.935 4.433 0.003 6 0 "[ . 1 . 2]" 1
10 1 1 MET HG2 1 50 ALA MB . . 4.240 2.652 1.894 4.251 0.011 6 0 "[ . 1 . 2]" 1
11 1 1 MET HG3 1 50 ALA MB . . 4.240 2.750 2.326 3.334 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS H 1 2 LYS QG . . 4.120 2.881 2.396 3.504 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HA 1 73 THR H . . 5.500 5.528 5.504 5.561 0.061 19 0 "[ . 1 . 2]" 1
14 1 2 LYS QB 1 3 VAL H . . 4.220 2.977 2.800 3.303 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS QB 1 73 THR H . . 4.360 2.990 2.742 3.505 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS QG 1 3 VAL H . . 4.670 4.021 3.492 4.562 . 0 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 3 VAL HB . . 3.960 2.960 2.857 3.253 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL H 1 3 VAL MG1 . . 3.970 3.927 3.771 3.972 0.002 13 0 "[ . 1 . 2]" 1
19 1 3 VAL H 1 3 VAL MG2 . . 4.030 2.424 1.998 2.915 . 0 0 "[ . 1 . 2]" 1
20 1 3 VAL H 1 42 VAL HB . . 5.170 4.363 3.691 4.563 . 0 0 "[ . 1 . 2]" 1
21 1 3 VAL H 1 72 SER H . . 5.500 5.110 4.692 5.504 0.004 9 0 "[ . 1 . 2]" 1
22 1 3 VAL HA 1 3 VAL MG1 . . 3.490 2.135 2.048 2.303 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL HB 1 4 TYR H . . 4.670 3.673 3.234 3.871 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL HB 1 5 VAL MG1 . . 4.140 3.997 3.565 4.171 0.031 13 0 "[ . 1 . 2]" 1
25 1 3 VAL HB 1 5 VAL MG2 . . 4.970 4.450 3.874 4.937 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL HB 1 42 VAL QG . . 3.920 2.850 1.940 3.020 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL MG1 1 4 TYR H . . 3.990 2.377 2.156 2.752 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL MG1 1 4 TYR HA . . 4.720 4.036 3.590 4.647 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL MG1 1 5 VAL H . . 4.910 4.294 3.888 4.982 0.072 18 0 "[ . 1 . 2]" 1
30 1 3 VAL MG1 1 5 VAL MG1 . . 4.660 2.635 2.261 3.278 . 0 0 "[ . 1 . 2]" 1
31 1 3 VAL MG1 1 21 PHE QD . . 4.510 4.083 3.822 4.390 . 0 0 "[ . 1 . 2]" 1
32 1 3 VAL MG1 1 21 PHE HZ . . 3.540 2.019 1.877 2.422 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL MG1 1 27 LEU QD . . 5.290 4.869 4.545 5.308 0.018 19 0 "[ . 1 . 2]" 1
34 1 3 VAL MG1 1 42 VAL HB . . 4.750 3.006 2.751 3.531 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL MG1 1 42 VAL QG . . 3.750 3.225 1.844 3.586 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL MG1 1 50 ALA HA . . 4.210 3.707 3.065 4.038 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL MG1 1 53 ALA MB . . 4.060 3.714 3.234 4.019 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL MG2 1 21 PHE QD . . 4.170 3.912 3.345 4.189 0.019 6 0 "[ . 1 . 2]" 1
39 1 3 VAL MG2 1 21 PHE QE . . 3.710 2.378 1.968 2.844 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL MG2 1 27 LEU QD . . 4.150 4.243 4.111 4.345 0.195 7 0 "[ . 1 . 2]" 1
41 1 3 VAL MG2 1 42 VAL QG . . 3.250 2.860 2.280 3.294 0.044 6 0 "[ . 1 . 2]" 1
42 1 3 VAL MG2 1 43 GLU H . . 4.410 4.140 3.490 4.458 0.048 3 0 "[ . 1 . 2]" 1
43 1 3 VAL MG2 1 50 ALA H . . 5.500 4.802 4.447 5.190 . 0 0 "[ . 1 . 2]" 1
44 1 4 TYR H 1 4 TYR QB . . 3.830 2.482 2.363 2.593 . 0 0 "[ . 1 . 2]" 1
45 1 4 TYR H 1 4 TYR QD . . 4.080 3.599 3.176 3.813 . 0 0 "[ . 1 . 2]" 1
46 1 4 TYR H 1 4 TYR QE . . 5.500 5.616 5.432 5.758 0.258 9 0 "[ . 1 . 2]" 1
47 1 4 TYR H 1 5 VAL H . . 4.640 4.151 4.014 4.236 . 0 0 "[ . 1 . 2]" 1
48 1 4 TYR H 1 21 PHE QE . . 5.500 5.374 5.086 5.543 0.043 11 0 "[ . 1 . 2]" 1
49 1 4 TYR H 1 69 VAL QG . . 3.790 3.250 2.788 3.718 . 0 0 "[ . 1 . 2]" 1
50 1 4 TYR H 1 70 GLU H . . 3.880 3.021 2.762 3.230 . 0 0 "[ . 1 . 2]" 1
51 1 4 TYR H 1 72 SER H . . 4.270 4.039 3.576 4.318 0.048 19 0 "[ . 1 . 2]" 1
52 1 4 TYR QB 1 5 VAL H . . 4.180 3.692 3.570 3.808 . 0 0 "[ . 1 . 2]" 1
53 1 4 TYR QB 1 69 VAL QG . . 4.860 4.447 4.169 4.813 . 0 0 "[ . 1 . 2]" 1
54 1 4 TYR QB 1 70 GLU H . . 4.220 3.546 3.093 3.880 . 0 0 "[ . 1 . 2]" 1
55 1 4 TYR QD 1 5 VAL H . . 4.610 3.532 3.111 4.543 . 0 0 "[ . 1 . 2]" 1
56 1 4 TYR QD 1 70 GLU H . . 5.280 3.371 2.472 5.300 0.020 7 0 "[ . 1 . 2]" 1
57 1 5 VAL H 1 5 VAL MG1 . . 4.000 3.054 2.925 3.224 . 0 0 "[ . 1 . 2]" 1
58 1 5 VAL H 1 5 VAL MG2 . . 4.180 1.932 1.882 2.022 . 0 0 "[ . 1 . 2]" 1
59 1 5 VAL H 1 6 GLY H . . 5.100 4.099 4.008 4.166 . 0 0 "[ . 1 . 2]" 1
60 1 5 VAL H 1 21 PHE QE . . 5.500 5.564 5.455 5.646 0.146 8 0 "[ . 1 . 2]" 1
61 1 5 VAL H 1 21 PHE HZ . . 5.500 5.099 4.929 5.300 . 0 0 "[ . 1 . 2]" 1
62 1 5 VAL H 1 40 ALA H . . 4.170 3.959 3.878 4.064 . 0 0 "[ . 1 . 2]" 1
63 1 5 VAL H 1 40 ALA MB . . 5.060 3.659 3.405 3.890 . 0 0 "[ . 1 . 2]" 1
64 1 5 VAL H 1 42 VAL H . . 4.810 3.695 3.559 3.837 . 0 0 "[ . 1 . 2]" 1
65 1 5 VAL HA 1 5 VAL MG1 . . 3.730 2.219 2.078 2.323 . 0 0 "[ . 1 . 2]" 1
66 1 5 VAL HB 1 40 ALA MB . . 3.910 3.613 3.456 3.767 . 0 0 "[ . 1 . 2]" 1
67 1 5 VAL HB 1 69 VAL QG . . 4.540 3.525 2.854 4.005 . 0 0 "[ . 1 . 2]" 1
68 1 5 VAL MG1 1 6 GLY H . . 4.240 4.041 3.925 4.115 . 0 0 "[ . 1 . 2]" 1
69 1 5 VAL MG1 1 17 LEU HA . . 4.720 4.426 3.844 4.738 0.018 10 0 "[ . 1 . 2]" 1
70 1 5 VAL MG1 1 17 LEU QB . . 3.660 3.033 2.468 3.436 . 0 0 "[ . 1 . 2]" 1
71 1 5 VAL MG1 1 17 LEU QD . . 3.130 3.133 2.976 3.220 0.090 10 0 "[ . 1 . 2]" 1
72 1 5 VAL MG1 1 42 VAL QG . . 3.510 2.564 1.832 2.930 . 0 0 "[ . 1 . 2]" 1
73 1 5 VAL MG1 1 69 VAL QG . . 4.860 1.779 1.635 1.911 . 0 0 "[ . 1 . 2]" 1
74 1 5 VAL MG2 1 6 GLY H . . 4.570 4.224 4.191 4.288 . 0 0 "[ . 1 . 2]" 1
75 1 5 VAL MG2 1 17 LEU HB2 . . 4.360 2.954 2.537 3.246 . 0 0 "[ . 1 . 2]" 1
76 1 5 VAL MG2 1 17 LEU QB . . 3.620 2.757 2.435 2.990 . 0 0 "[ . 1 . 2]" 1
77 1 5 VAL MG2 1 17 LEU HB3 . . 4.360 3.357 2.661 3.620 . 0 0 "[ . 1 . 2]" 1
78 1 5 VAL MG2 1 17 LEU QD . . 2.940 2.024 1.843 2.296 . 0 0 "[ . 1 . 2]" 1
79 1 5 VAL MG2 1 17 LEU HG . . 4.520 4.394 4.069 4.552 0.032 13 0 "[ . 1 . 2]" 1
80 1 5 VAL MG2 1 21 PHE QE . . 4.150 3.621 3.177 4.023 . 0 0 "[ . 1 . 2]" 1
81 1 5 VAL MG2 1 40 ALA H . . 4.230 3.456 3.266 3.636 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLY H 1 7 ASN H . . 4.520 4.340 4.183 4.453 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLY H 1 68 ARG H . . 3.960 3.682 3.347 4.000 0.040 16 0 "[ . 1 . 2]" 1
84 1 6 GLY H 1 68 ARG QB . . 4.220 3.258 2.738 3.734 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLY H 1 69 VAL HA . . 4.350 3.222 2.793 3.714 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLY H 1 69 VAL MG1 . . 5.110 5.121 4.859 5.216 0.106 19 0 "[ . 1 . 2]" 1
87 1 6 GLY H 1 69 VAL QG . . 4.400 4.102 3.832 4.401 0.001 14 0 "[ . 1 . 2]" 1
88 1 6 GLY H 1 69 VAL MG2 . . 5.110 4.325 3.959 4.744 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLY H 1 70 GLU H . . 5.040 4.671 4.317 5.024 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLY QA 1 7 ASN HA . . 4.620 4.117 4.114 4.119 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLY QA 1 7 ASN HD21 . . 3.960 3.175 2.681 3.536 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLY QA 1 8 LEU H . . 4.950 4.115 3.833 4.311 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLY QA 1 8 LEU QD . . 3.880 2.621 1.895 3.174 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLY QA 1 68 ARG H . . 4.930 4.250 4.066 4.457 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLY HA2 1 8 LEU QD . . 4.630 2.663 1.910 3.242 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLY HA3 1 8 LEU QD . . 4.630 3.944 3.171 4.524 . 0 0 "[ . 1 . 2]" 1
97 1 7 ASN H 1 8 LEU H . . 3.510 2.975 2.828 3.057 . 0 0 "[ . 1 . 2]" 1
98 1 7 ASN H 1 8 LEU HG . . 4.960 3.804 3.458 4.713 . 0 0 "[ . 1 . 2]" 1
99 1 7 ASN H 1 39 PHE HA . . 4.940 3.102 2.909 3.290 . 0 0 "[ . 1 . 2]" 1
100 1 7 ASN H 1 39 PHE QD . . 4.580 2.996 2.286 3.468 . 0 0 "[ . 1 . 2]" 1
101 1 7 ASN H 1 40 ALA H . . 4.850 4.609 4.562 4.668 . 0 0 "[ . 1 . 2]" 1
102 1 7 ASN H 1 67 VAL QG . . 5.440 5.016 4.411 5.445 0.005 11 0 "[ . 1 . 2]" 1
103 1 7 ASN H 1 68 ARG H . . 5.320 4.722 4.621 4.955 . 0 0 "[ . 1 . 2]" 1
104 1 7 ASN H 1 68 ARG QB . . 5.060 4.142 3.756 4.509 . 0 0 "[ . 1 . 2]" 1
105 1 7 ASN QB 1 8 LEU H . . 4.390 3.910 3.880 3.922 . 0 0 "[ . 1 . 2]" 1
106 1 7 ASN QB 1 67 VAL H . . 5.500 5.126 4.644 5.520 0.020 16 0 "[ . 1 . 2]" 1
107 1 7 ASN QB 1 67 VAL HA . . 4.340 2.688 2.113 3.129 . 0 0 "[ . 1 . 2]" 1
108 1 7 ASN QB 1 68 ARG H . . 4.440 2.012 1.907 2.280 . 0 0 "[ . 1 . 2]" 1
109 1 7 ASN HD21 1 39 PHE QD . . 4.410 4.346 3.575 4.440 0.030 13 0 "[ . 1 . 2]" 1
110 1 7 ASN HD21 1 39 PHE QE . . 3.930 3.315 2.770 3.864 . 0 0 "[ . 1 . 2]" 1
111 1 7 ASN HD21 1 39 PHE HZ . . 5.070 4.795 4.000 5.092 0.022 16 0 "[ . 1 . 2]" 1
112 1 7 ASN HD21 1 68 ARG H . . 4.110 4.063 3.401 4.139 0.029 13 0 "[ . 1 . 2]" 1
113 1 7 ASN HD21 1 68 ARG QB . . 3.880 2.412 1.988 2.886 . 0 0 "[ . 1 . 2]" 1
114 1 7 ASN HD22 1 39 PHE QE . . 4.170 3.799 2.915 4.174 0.004 4 0 "[ . 1 . 2]" 1
115 1 7 ASN HD22 1 39 PHE HZ . . 5.030 4.817 3.914 5.053 0.023 5 0 "[ . 1 . 2]" 1
116 1 8 LEU H 1 8 LEU QB . . 3.820 2.692 2.566 2.920 . 0 0 "[ . 1 . 2]" 1
117 1 8 LEU H 1 8 LEU QD . . 3.750 3.012 2.382 3.388 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU H 1 8 LEU HG . . 3.820 2.685 2.281 3.519 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU H 1 9 GLY H . . 4.330 3.893 2.758 4.351 0.021 20 0 "[ . 1 . 2]" 1
120 1 8 LEU H 1 38 GLY H . . 4.970 4.756 4.670 4.789 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU H 1 38 GLY QA . . 4.290 2.117 1.919 2.305 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU H 1 39 PHE H . . 4.730 4.603 4.422 4.781 0.051 20 0 "[ . 1 . 2]" 1
123 1 8 LEU H 1 67 VAL QG . . 4.750 4.573 4.259 4.770 0.020 1 0 "[ . 1 . 2]" 1
124 1 8 LEU HA 1 8 LEU QD . . 3.430 2.441 2.055 3.190 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU HA 1 9 GLY H . . 3.360 2.384 2.144 2.850 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU HA 1 12 ALA MB . . 3.900 3.541 3.131 3.907 0.007 13 0 "[ . 1 . 2]" 1
127 1 8 LEU HA 1 67 VAL QG . . 4.290 3.115 2.754 3.794 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU QB 1 9 GLY H . . 3.980 3.404 1.911 3.897 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU QB 1 40 ALA MB . . 4.810 4.409 3.989 4.847 0.037 20 0 "[ . 1 . 2]" 1
130 1 8 LEU QD 1 9 GLY H . . 4.590 4.105 3.448 4.492 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU QD 1 12 ALA HA . . 4.660 4.531 3.985 4.666 0.006 9 0 "[ . 1 . 2]" 1
132 1 8 LEU QD 1 12 ALA MB . . 3.270 3.077 1.912 3.321 0.051 18 0 "[ . 1 . 2]" 1
133 1 8 LEU QD 1 32 ILE QG . . 4.090 3.729 2.493 4.185 0.095 14 0 "[ . 1 . 2]" 1
134 1 8 LEU QD 1 32 ILE MG . . 4.420 2.698 2.261 3.758 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU QD 1 38 GLY H . . 5.200 4.903 4.384 5.217 0.017 4 0 "[ . 1 . 2]" 1
136 1 8 LEU QD 1 39 PHE H . . 4.220 3.005 2.583 3.502 . 0 0 "[ . 1 . 2]" 1
137 1 8 LEU QD 1 39 PHE QD . . 4.710 4.538 3.999 4.751 0.041 18 0 "[ . 1 . 2]" 1
138 1 8 LEU QD 1 40 ALA H . . 4.050 3.031 2.430 3.624 . 0 0 "[ . 1 . 2]" 1
139 1 8 LEU QD 1 40 ALA HA . . 4.990 3.792 3.285 4.242 . 0 0 "[ . 1 . 2]" 1
140 1 8 LEU QD 1 40 ALA MB . . 3.120 2.038 1.762 2.398 . 0 0 "[ . 1 . 2]" 1
141 1 8 LEU QD 1 67 VAL QG . . 2.990 2.240 1.817 2.654 . 0 0 "[ . 1 . 2]" 1
142 1 9 GLY H 1 10 THR H . . 3.560 2.904 2.241 3.569 0.009 5 0 "[ . 1 . 2]" 1
143 1 9 GLY H 1 11 GLY H . . 5.000 4.420 3.428 4.738 . 0 0 "[ . 1 . 2]" 1
144 1 9 GLY H 1 38 GLY QA . . 5.000 4.818 3.882 5.037 0.037 7 0 "[ . 1 . 2]" 1
145 1 9 GLY H 1 67 VAL QG . . 4.910 4.510 4.000 4.941 0.031 7 0 "[ . 1 . 2]" 1
146 1 9 GLY QA 1 10 THR H . . 2.970 2.492 2.139 2.904 . 0 0 "[ . 1 . 2]" 1
147 1 10 THR H 1 10 THR MG . . 3.060 2.656 2.020 3.059 . 0 0 "[ . 1 . 2]" 1
148 1 10 THR H 1 11 GLY H . . 3.240 2.185 1.861 3.279 0.039 20 0 "[ . 1 . 2]" 1
149 1 10 THR H 1 12 ALA H . . 4.010 2.914 2.323 4.120 0.110 20 0 "[ . 1 . 2]" 1
150 1 10 THR HA 1 10 THR MG . . 3.250 2.992 2.362 3.199 . 0 0 "[ . 1 . 2]" 1
151 1 10 THR HA 1 11 GLY H . . 3.360 2.983 2.393 3.508 0.148 18 0 "[ . 1 . 2]" 1
152 1 10 THR HB 1 11 GLY H . . 4.610 4.460 4.109 4.666 0.056 17 0 "[ . 1 . 2]" 1
153 1 10 THR MG 1 11 GLY H . . 4.320 3.469 1.927 4.337 0.017 7 0 "[ . 1 . 2]" 1
154 1 11 GLY H 1 12 ALA H . . 3.060 2.222 1.826 2.670 . 0 0 "[ . 1 . 2]" 1
155 1 11 GLY QA 1 12 ALA HA . . 5.030 4.010 3.995 4.021 . 0 0 "[ . 1 . 2]" 1
156 1 11 GLY HA2 1 12 ALA H . . 3.520 3.187 2.891 3.456 . 0 0 "[ . 1 . 2]" 1
157 1 11 GLY HA3 1 12 ALA H . . 3.520 3.316 3.034 3.518 . 0 0 "[ . 1 . 2]" 1
158 1 12 ALA H 1 12 ALA MB . . 2.780 2.494 2.443 2.565 . 0 0 "[ . 1 . 2]" 1
159 1 12 ALA H 1 13 GLY H . . 4.240 4.016 4.006 4.025 . 0 0 "[ . 1 . 2]" 1
160 1 12 ALA HA 1 13 GLY H . . 2.960 2.173 2.171 2.176 . 0 0 "[ . 1 . 2]" 1
161 1 12 ALA HA 1 13 GLY HA2 . . 5.500 4.382 4.357 4.395 . 0 0 "[ . 1 . 2]" 1
162 1 12 ALA MB 1 13 GLY H . . 3.520 3.436 3.427 3.450 . 0 0 "[ . 1 . 2]" 1
163 1 12 ALA MB 1 66 ARG H . . 4.730 4.710 4.344 4.782 0.052 20 0 "[ . 1 . 2]" 1
164 1 12 ALA MB 1 67 VAL H . . 4.740 4.351 3.941 4.754 0.014 17 0 "[ . 1 . 2]" 1
165 1 12 ALA MB 1 67 VAL QG . . 3.430 2.405 1.872 3.459 0.029 7 0 "[ . 1 . 2]" 1
166 1 13 GLY H 1 14 LYS H . . 3.900 3.780 3.734 3.840 . 0 0 "[ . 1 . 2]" 1
167 1 13 GLY H 1 15 GLY QA . . 5.180 4.550 4.303 4.766 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLY H 1 16 GLU HA . . 5.500 4.563 4.393 4.720 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLY HA2 1 14 LYS H . . 3.350 3.206 3.162 3.273 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLY HA2 1 14 LYS HA . . 4.530 4.466 4.434 4.524 . 0 0 "[ . 1 . 2]" 1
171 1 13 GLY HA2 1 17 LEU H . . 4.550 4.357 3.932 4.533 . 0 0 "[ . 1 . 2]" 1
172 1 13 GLY HA3 1 14 LYS H . . 3.280 2.140 2.135 2.147 . 0 0 "[ . 1 . 2]" 1
173 1 13 GLY HA3 1 15 GLY H . . 4.170 4.018 3.863 4.174 0.004 2 0 "[ . 1 . 2]" 1
174 1 13 GLY HA3 1 16 GLU H . . 4.180 4.258 4.213 4.382 0.202 20 0 "[ . 1 . 2]" 1
175 1 13 GLY HA3 1 32 ILE MD . . 4.460 4.096 2.652 4.499 0.039 13 0 "[ . 1 . 2]" 1
176 1 14 LYS H 1 14 LYS QB . . 3.120 2.217 2.071 2.605 . 0 0 "[ . 1 . 2]" 1
177 1 14 LYS H 1 32 ILE MD . . 3.620 3.036 2.009 3.510 . 0 0 "[ . 1 . 2]" 1
178 1 14 LYS H 1 32 ILE QG . . 3.740 3.583 2.528 3.804 0.064 16 0 "[ . 1 . 2]" 1
179 1 14 LYS HA 1 17 LEU H . . 4.410 3.942 3.860 4.121 . 0 0 "[ . 1 . 2]" 1
180 1 14 LYS HA 1 17 LEU QD . . 4.160 2.009 1.909 2.441 . 0 0 "[ . 1 . 2]" 1
181 1 14 LYS HA 1 18 GLU QB . . 4.140 4.084 3.999 4.164 0.024 4 0 "[ . 1 . 2]" 1
182 1 14 LYS HA 1 32 ILE MD . . 3.560 2.161 1.924 2.858 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS HA 1 32 ILE QG . . 4.120 3.180 2.810 3.429 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS QB 1 15 GLY H . . 3.470 2.469 2.247 3.302 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS QB 1 16 GLU H . . 5.230 4.721 4.554 5.234 0.004 19 0 "[ . 1 . 2]" 1
186 1 14 LYS QB 1 17 LEU QD . . 4.500 3.607 3.246 3.977 . 0 0 "[ . 1 . 2]" 1
187 1 14 LYS QB 1 32 ILE MD . . 3.450 2.465 1.930 2.903 . 0 0 "[ . 1 . 2]" 1
188 1 14 LYS QB 1 32 ILE MG . . 4.670 3.808 3.099 4.484 . 0 0 "[ . 1 . 2]" 1
189 1 14 LYS QG 1 15 GLY H . . 4.200 3.740 1.915 4.202 0.002 8 0 "[ . 1 . 2]" 1
190 1 14 LYS QG 1 17 LEU QD . . 4.570 3.102 2.541 4.548 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLY H 1 16 GLU H . . 3.170 2.742 2.696 2.771 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLY H 1 17 LEU H . . 4.590 4.569 4.505 4.595 0.005 13 0 "[ . 1 . 2]" 1
193 1 15 GLY H 1 18 GLU H . . 4.700 4.618 4.599 4.639 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLY H 1 18 GLU QB . . 4.770 4.332 4.271 4.377 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLY H 1 32 ILE MD . . 5.280 4.757 4.163 5.157 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLY QA 1 17 LEU H . . 4.880 4.485 4.438 4.510 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLY QA 1 18 GLU QB . . 3.730 2.358 2.261 2.440 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLY HA2 1 18 GLU QB . . 4.350 2.378 2.279 2.462 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLY HA3 1 18 GLU QB . . 4.350 3.868 3.775 3.976 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLU H 1 16 GLU QG . . 4.200 3.835 3.044 4.021 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLU H 1 17 LEU H . . 3.140 2.839 2.778 2.915 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLU H 1 17 LEU QD . . 5.070 4.679 4.562 5.048 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLU H 1 17 LEU HG . . 5.500 4.853 4.632 5.424 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLU H 1 18 GLU H . . 4.030 3.838 3.775 3.942 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLU H 1 19 ARG H . . 4.930 4.801 4.676 4.933 0.003 20 0 "[ . 1 . 2]" 1
206 1 16 GLU QG 1 17 LEU H . . 4.400 3.993 3.364 4.308 . 0 0 "[ . 1 . 2]" 1
207 1 17 LEU H 1 17 LEU HB2 . . 3.780 3.503 3.347 3.540 . 0 0 "[ . 1 . 2]" 1
208 1 17 LEU H 1 17 LEU QB . . 3.230 2.187 2.039 2.252 . 0 0 "[ . 1 . 2]" 1
209 1 17 LEU H 1 17 LEU HB3 . . 3.780 2.209 2.057 2.278 . 0 0 "[ . 1 . 2]" 1
210 1 17 LEU H 1 17 LEU QD . . 3.580 3.138 3.061 3.419 . 0 0 "[ . 1 . 2]" 1
211 1 17 LEU H 1 18 GLU H . . 3.440 2.648 2.605 2.716 . 0 0 "[ . 1 . 2]" 1
212 1 17 LEU H 1 18 GLU QB . . 4.430 4.397 4.356 4.443 0.013 20 0 "[ . 1 . 2]" 1
213 1 17 LEU H 1 32 ILE MD . . 5.060 4.950 4.135 5.134 0.074 17 0 "[ . 1 . 2]" 1
214 1 17 LEU HA 1 17 LEU QD . . 3.650 3.241 3.018 3.325 . 0 0 "[ . 1 . 2]" 1
215 1 17 LEU QB 1 18 GLU H . . 3.660 3.471 3.323 3.503 . 0 0 "[ . 1 . 2]" 1
216 1 17 LEU HB2 1 18 GLU H . . 4.260 4.128 4.005 4.240 . 0 0 "[ . 1 . 2]" 1
217 1 17 LEU HB3 1 18 GLU H . . 4.260 3.737 3.472 3.798 . 0 0 "[ . 1 . 2]" 1
218 1 17 LEU QD 1 18 GLU H . . 3.720 3.044 2.827 3.321 . 0 0 "[ . 1 . 2]" 1
219 1 17 LEU QD 1 18 GLU HA . . 3.360 2.513 2.312 2.768 . 0 0 "[ . 1 . 2]" 1
220 1 17 LEU QD 1 18 GLU QB . . 4.320 3.273 3.048 3.578 . 0 0 "[ . 1 . 2]" 1
221 1 17 LEU QD 1 19 ARG H . . 4.810 4.752 4.587 4.859 0.049 13 0 "[ . 1 . 2]" 1
222 1 17 LEU QD 1 21 PHE QD . . 4.010 3.003 2.379 3.420 . 0 0 "[ . 1 . 2]" 1
223 1 17 LEU QD 1 21 PHE QE . . 3.650 3.404 2.704 3.700 0.050 7 0 "[ . 1 . 2]" 1
224 1 17 LEU QD 1 31 TRP H . . 3.850 3.493 2.784 3.862 0.012 18 0 "[ . 1 . 2]" 1
225 1 17 LEU QD 1 40 ALA HA . . 5.390 4.715 4.348 4.942 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU QD 1 40 ALA MB . . 3.180 2.480 2.111 2.708 . 0 0 "[ . 1 . 2]" 1
227 1 17 LEU QD 1 41 PHE H . . 4.530 4.321 4.084 4.537 0.007 15 0 "[ . 1 . 2]" 1
228 1 17 LEU QD 1 41 PHE HA . . 5.500 5.014 4.773 5.234 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU QD 1 42 VAL QG . . 3.640 1.778 1.643 2.153 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU HG 1 18 GLU HA . . 5.360 3.437 3.111 3.602 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLU H 1 18 GLU QB . . 3.380 2.239 2.228 2.251 . 0 0 "[ . 1 . 2]" 1
232 1 18 GLU H 1 18 GLU QG . . 4.160 3.975 3.944 4.037 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLU H 1 19 ARG H . . 3.460 2.724 2.624 2.882 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLU H 1 20 ALA H . . 4.400 4.058 3.958 4.204 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLU QB 1 19 ARG HA . . 5.140 4.205 4.162 4.246 . 0 0 "[ . 1 . 2]" 1
236 1 18 GLU QG 1 22 SER H . . 4.750 4.286 3.971 4.722 . 0 0 "[ . 1 . 2]" 1
237 1 19 ARG H 1 19 ARG QB . . 3.030 2.249 2.109 2.636 . 0 0 "[ . 1 . 2]" 1
238 1 19 ARG H 1 20 ALA H . . 3.310 2.695 2.647 2.814 . 0 0 "[ . 1 . 2]" 1
239 1 19 ARG H 1 22 SER H . . 4.840 4.800 4.752 4.841 0.001 8 0 "[ . 1 . 2]" 1
240 1 19 ARG QB 1 19 ARG HE . . 4.320 2.537 1.932 3.742 . 0 0 "[ . 1 . 2]" 1
241 1 19 ARG QB 1 20 ALA H . . 3.370 2.542 2.439 2.659 . 0 0 "[ . 1 . 2]" 1
242 1 19 ARG QB 1 20 ALA MB . . 4.080 3.779 3.661 3.962 . 0 0 "[ . 1 . 2]" 1
243 1 19 ARG QB 1 62 ILE MD . . 4.540 3.836 3.068 4.561 0.021 7 0 "[ . 1 . 2]" 1
244 1 19 ARG HE 1 20 ALA H . . 5.500 5.231 4.738 5.476 . 0 0 "[ . 1 . 2]" 1
245 1 19 ARG QG 1 62 ILE QG . . 4.870 4.644 4.053 4.907 0.037 20 0 "[ . 1 . 2]" 1
246 1 20 ALA H 1 20 ALA MB . . 2.980 2.084 2.026 2.220 . 0 0 "[ . 1 . 2]" 1
247 1 20 ALA H 1 21 PHE H . . 3.540 2.910 2.845 2.969 . 0 0 "[ . 1 . 2]" 1
248 1 20 ALA H 1 22 SER H . . 4.310 4.173 4.019 4.300 . 0 0 "[ . 1 . 2]" 1
249 1 20 ALA H 1 62 ILE MD . . 5.450 3.967 3.057 5.015 . 0 0 "[ . 1 . 2]" 1
250 1 20 ALA H 1 62 ILE MG . . 5.290 4.691 4.433 5.090 . 0 0 "[ . 1 . 2]" 1
251 1 20 ALA HA 1 57 LEU QD . . 4.430 3.383 3.123 3.630 . 0 0 "[ . 1 . 2]" 1
252 1 20 ALA MB 1 21 PHE H . . 3.600 2.148 2.022 2.285 . 0 0 "[ . 1 . 2]" 1
253 1 20 ALA MB 1 21 PHE HA . . 4.420 3.608 3.560 3.709 . 0 0 "[ . 1 . 2]" 1
254 1 20 ALA MB 1 21 PHE QD . . 3.410 2.595 2.306 2.877 . 0 0 "[ . 1 . 2]" 1
255 1 20 ALA MB 1 21 PHE QE . . 4.230 3.987 3.731 4.198 . 0 0 "[ . 1 . 2]" 1
256 1 20 ALA MB 1 22 SER H . . 4.500 4.409 4.278 4.509 0.009 8 0 "[ . 1 . 2]" 1
257 1 20 ALA MB 1 23 TYR H . . 4.770 4.586 4.482 4.683 . 0 0 "[ . 1 . 2]" 1
258 1 20 ALA MB 1 53 ALA MB . . 4.780 4.630 4.447 4.839 0.059 19 0 "[ . 1 . 2]" 1
259 1 20 ALA MB 1 57 LEU HA . . 5.030 4.410 3.826 4.999 . 0 0 "[ . 1 . 2]" 1
260 1 20 ALA MB 1 57 LEU MD1 . . 3.410 2.133 1.752 2.713 . 0 0 "[ . 1 . 2]" 1
261 1 20 ALA MB 1 57 LEU QD . . 2.900 1.777 1.625 1.985 . 0 0 "[ . 1 . 2]" 1
262 1 20 ALA MB 1 57 LEU MD2 . . 3.410 2.008 1.756 2.371 . 0 0 "[ . 1 . 2]" 1
263 1 20 ALA MB 1 62 ILE HB . . 4.450 3.271 2.973 3.904 . 0 0 "[ . 1 . 2]" 1
264 1 20 ALA MB 1 62 ILE MD . . 4.100 2.576 1.858 3.415 . 0 0 "[ . 1 . 2]" 1
265 1 20 ALA MB 1 62 ILE MG . . 3.200 2.620 2.227 3.036 . 0 0 "[ . 1 . 2]" 1
266 1 21 PHE H 1 21 PHE QD . . 3.320 2.103 1.916 2.422 . 0 0 "[ . 1 . 2]" 1
267 1 21 PHE H 1 21 PHE QE . . 4.750 4.435 4.276 4.676 . 0 0 "[ . 1 . 2]" 1
268 1 21 PHE H 1 22 SER H . . 3.630 2.900 2.831 2.941 . 0 0 "[ . 1 . 2]" 1
269 1 21 PHE H 1 42 VAL QG . . 5.220 5.034 4.847 5.247 0.027 19 0 "[ . 1 . 2]" 1
270 1 21 PHE H 1 57 LEU QD . . 3.910 3.163 2.794 3.434 . 0 0 "[ . 1 . 2]" 1
271 1 21 PHE HA 1 23 TYR H . . 4.530 4.484 4.337 4.541 0.011 7 0 "[ . 1 . 2]" 1
272 1 21 PHE HA 1 25 GLY H . . 4.370 4.177 3.909 4.312 . 0 0 "[ . 1 . 2]" 1
273 1 21 PHE HA 1 27 LEU QD . . 4.760 4.107 3.834 4.549 . 0 0 "[ . 1 . 2]" 1
274 1 21 PHE HA 1 53 ALA MB . . 4.270 2.952 2.689 3.133 . 0 0 "[ . 1 . 2]" 1
275 1 21 PHE HA 1 57 LEU MD1 . . 4.300 3.645 3.026 4.455 0.155 20 0 "[ . 1 . 2]" 1
276 1 21 PHE HA 1 57 LEU QD . . 3.190 3.160 2.863 3.255 0.065 15 0 "[ . 1 . 2]" 1
277 1 21 PHE HA 1 57 LEU MD2 . . 4.300 3.701 3.043 4.316 0.016 13 0 "[ . 1 . 2]" 1
278 1 21 PHE QB 1 27 LEU QD . . 3.810 1.933 1.792 2.299 . 0 0 "[ . 1 . 2]" 1
279 1 21 PHE QB 1 42 VAL QG . . 3.800 3.272 3.113 3.449 . 0 0 "[ . 1 . 2]" 1
280 1 21 PHE QD 1 22 SER H . . 4.900 4.367 4.287 4.438 . 0 0 "[ . 1 . 2]" 1
281 1 21 PHE QD 1 27 LEU QD . . 4.060 2.119 1.878 2.807 . 0 0 "[ . 1 . 2]" 1
282 1 21 PHE QD 1 42 VAL QG . . 4.010 2.469 1.918 2.868 . 0 0 "[ . 1 . 2]" 1
283 1 21 PHE QD 1 53 ALA MB . . 3.610 3.542 3.331 3.638 0.028 9 0 "[ . 1 . 2]" 1
284 1 21 PHE QD 1 57 LEU MD1 . . 4.440 3.276 2.125 4.150 . 0 0 "[ . 1 . 2]" 1
285 1 21 PHE QD 1 57 LEU QD . . 3.820 2.404 2.091 2.792 . 0 0 "[ . 1 . 2]" 1
286 1 21 PHE QD 1 57 LEU MD2 . . 4.440 2.884 2.105 3.992 . 0 0 "[ . 1 . 2]" 1
287 1 21 PHE QE 1 53 ALA MB . . 3.880 3.594 3.361 3.839 . 0 0 "[ . 1 . 2]" 1
288 1 21 PHE QE 1 57 LEU QD . . 4.930 2.220 1.903 3.079 . 0 0 "[ . 1 . 2]" 1
289 1 21 PHE HZ 1 42 VAL QG . . 3.730 3.113 2.309 3.499 . 0 0 "[ . 1 . 2]" 1
290 1 22 SER H 1 22 SER QB . . 3.650 2.273 2.182 2.474 . 0 0 "[ . 1 . 2]" 1
291 1 22 SER H 1 23 TYR H . . 3.720 2.741 2.626 2.852 . 0 0 "[ . 1 . 2]" 1
292 1 22 SER H 1 23 TYR HB2 . . 5.210 4.565 4.479 4.699 . 0 0 "[ . 1 . 2]" 1
293 1 22 SER H 1 23 TYR QD . . 5.500 4.873 4.633 5.508 0.008 20 0 "[ . 1 . 2]" 1
294 1 22 SER H 1 25 GLY H . . 4.910 4.645 4.602 4.677 . 0 0 "[ . 1 . 2]" 1
295 1 22 SER H 1 27 LEU QD . . 4.510 3.569 2.514 4.089 . 0 0 "[ . 1 . 2]" 1
296 1 22 SER HA 1 24 TYR H . . 4.570 4.380 4.213 4.516 . 0 0 "[ . 1 . 2]" 1
297 1 22 SER HA 1 25 GLY H . . 3.600 3.317 3.254 3.419 . 0 0 "[ . 1 . 2]" 1
298 1 22 SER QB 1 27 LEU MD1 . . 5.180 4.459 2.606 5.231 0.051 8 0 "[ . 1 . 2]" 1
299 1 22 SER QB 1 27 LEU QD . . 4.560 3.658 2.595 4.231 . 0 0 "[ . 1 . 2]" 1
300 1 22 SER QB 1 27 LEU MD2 . . 5.180 4.344 3.109 5.204 0.024 19 0 "[ . 1 . 2]" 1
301 1 23 TYR H 1 23 TYR HB2 . . 3.390 2.139 2.066 2.177 . 0 0 "[ . 1 . 2]" 1
302 1 23 TYR H 1 23 TYR HB3 . . 3.460 3.448 3.269 3.487 0.027 3 0 "[ . 1 . 2]" 1
303 1 23 TYR H 1 23 TYR QD . . 4.290 2.724 2.467 3.453 . 0 0 "[ . 1 . 2]" 1
304 1 23 TYR H 1 24 TYR H . . 3.500 2.749 2.555 2.803 . 0 0 "[ . 1 . 2]" 1
305 1 23 TYR H 1 24 TYR QD . . 4.190 4.170 3.972 4.213 0.023 11 0 "[ . 1 . 2]" 1
306 1 23 TYR H 1 25 GLY H . . 4.260 4.043 3.917 4.158 . 0 0 "[ . 1 . 2]" 1
307 1 23 TYR H 1 57 LEU QD . . 5.440 5.278 4.951 5.448 0.008 10 0 "[ . 1 . 2]" 1
308 1 23 TYR HB2 1 24 TYR H . . 3.880 2.906 2.809 3.183 . 0 0 "[ . 1 . 2]" 1
309 1 23 TYR HB2 1 24 TYR QD . . 4.510 3.170 2.930 3.554 . 0 0 "[ . 1 . 2]" 1
310 1 23 TYR HB2 1 57 LEU QD . . 5.440 4.782 4.465 4.999 . 0 0 "[ . 1 . 2]" 1
311 1 23 TYR HB3 1 24 TYR H . . 4.260 3.142 2.927 3.356 . 0 0 "[ . 1 . 2]" 1
312 1 23 TYR HB3 1 24 TYR QD . . 4.290 3.159 2.730 3.687 . 0 0 "[ . 1 . 2]" 1
313 1 23 TYR HB3 1 25 GLY H . . 5.500 5.239 5.070 5.465 . 0 0 "[ . 1 . 2]" 1
314 1 24 TYR H 1 24 TYR QB . . 3.690 2.213 2.181 2.261 . 0 0 "[ . 1 . 2]" 1
315 1 24 TYR H 1 24 TYR QD . . 3.960 2.295 2.094 2.701 . 0 0 "[ . 1 . 2]" 1
316 1 24 TYR H 1 25 GLY H . . 3.140 2.502 2.406 2.533 . 0 0 "[ . 1 . 2]" 1
317 1 24 TYR H 1 53 ALA MB . . 4.640 4.601 4.255 4.711 0.071 20 0 "[ . 1 . 2]" 1
318 1 24 TYR H 1 57 LEU QD . . 4.770 4.531 4.160 4.795 0.025 10 0 "[ . 1 . 2]" 1
319 1 24 TYR HA 1 24 TYR QD . . 3.860 3.038 2.975 3.072 . 0 0 "[ . 1 . 2]" 1
320 1 24 TYR QB 1 25 GLY H . . 3.560 2.763 2.682 2.873 . 0 0 "[ . 1 . 2]" 1
321 1 24 TYR QB 1 53 ALA H . . 4.070 3.881 3.413 4.081 0.011 2 0 "[ . 1 . 2]" 1
322 1 24 TYR QB 1 53 ALA MB . . 3.350 2.478 2.079 2.642 . 0 0 "[ . 1 . 2]" 1
323 1 24 TYR QB 1 57 LEU QD . . 5.280 3.768 3.336 4.101 . 0 0 "[ . 1 . 2]" 1
324 1 24 TYR HB2 1 25 GLY H . . 4.160 2.889 2.813 2.998 . 0 0 "[ . 1 . 2]" 1
325 1 24 TYR HB2 1 53 ALA MB . . 4.070 2.735 2.438 2.891 . 0 0 "[ . 1 . 2]" 1
326 1 24 TYR HB3 1 25 GLY H . . 4.160 3.519 3.366 3.711 . 0 0 "[ . 1 . 2]" 1
327 1 24 TYR HB3 1 53 ALA MB . . 4.070 2.841 2.255 3.074 . 0 0 "[ . 1 . 2]" 1
328 1 24 TYR QD 1 25 GLY H . . 4.690 4.403 4.311 4.489 . 0 0 "[ . 1 . 2]" 1
329 1 25 GLY H 1 53 ALA MB . . 4.670 4.610 4.072 4.696 0.026 4 0 "[ . 1 . 2]" 1
330 1 26 PRO HA 1 27 LEU H . . 3.370 2.167 2.151 2.184 . 0 0 "[ . 1 . 2]" 1
331 1 26 PRO HA 1 27 LEU QB . . 5.030 4.518 4.093 4.682 . 0 0 "[ . 1 . 2]" 1
332 1 26 PRO HA 1 27 LEU HG . . 5.430 4.277 3.686 5.594 0.164 19 0 "[ . 1 . 2]" 1
333 1 26 PRO QB 1 27 LEU H . . 3.780 3.538 3.403 3.612 . 0 0 "[ . 1 . 2]" 1
334 1 26 PRO HB2 1 27 LEU H . . 4.370 3.811 3.645 3.901 . 0 0 "[ . 1 . 2]" 1
335 1 26 PRO HB3 1 27 LEU H . . 4.370 4.196 4.078 4.263 . 0 0 "[ . 1 . 2]" 1
336 1 27 LEU H 1 27 LEU MD1 . . 4.090 2.863 1.828 3.996 . 0 0 "[ . 1 . 2]" 1
337 1 27 LEU H 1 27 LEU QD . . 3.580 2.401 1.631 3.599 0.019 6 0 "[ . 1 . 2]" 1
338 1 27 LEU H 1 27 LEU MD2 . . 4.090 3.178 1.834 4.109 0.019 6 0 "[ . 1 . 2]" 1
339 1 27 LEU H 1 27 LEU HG . . 4.360 2.411 1.870 3.572 . 0 0 "[ . 1 . 2]" 1
340 1 27 LEU H 1 28 ARG H . . 4.650 4.512 4.428 4.592 . 0 0 "[ . 1 . 2]" 1
341 1 27 LEU HA 1 27 LEU QD . . 4.260 3.129 2.098 3.440 . 0 0 "[ . 1 . 2]" 1
342 1 27 LEU QB 1 28 ARG H . . 3.820 2.188 1.934 3.247 . 0 0 "[ . 1 . 2]" 1
343 1 27 LEU QD 1 28 ARG H . . 3.960 2.937 2.426 3.096 . 0 0 "[ . 1 . 2]" 1
344 1 27 LEU QD 1 29 THR H . . 4.230 2.648 2.084 3.510 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU QD 1 42 VAL QG . . 3.190 1.900 1.734 2.682 . 0 0 "[ . 1 . 2]" 1
346 1 27 LEU QD 1 44 PHE QE . . 4.580 3.571 2.998 3.901 . 0 0 "[ . 1 . 2]" 1
347 1 27 LEU QD 1 45 GLU H . . 5.440 4.603 4.312 4.784 . 0 0 "[ . 1 . 2]" 1
348 1 28 ARG H 1 28 ARG QG . . 4.270 3.898 3.547 4.067 . 0 0 "[ . 1 . 2]" 1
349 1 28 ARG H 1 29 THR H . . 3.440 2.513 2.297 2.758 . 0 0 "[ . 1 . 2]" 1
350 1 28 ARG H 1 43 GLU H . . 4.980 4.615 4.327 4.802 . 0 0 "[ . 1 . 2]" 1
351 1 28 ARG H 1 43 GLU QB . . 4.420 4.036 3.735 4.422 0.002 3 0 "[ . 1 . 2]" 1
352 1 28 ARG H 1 45 GLU H . . 3.960 2.427 2.108 3.033 . 0 0 "[ . 1 . 2]" 1
353 1 28 ARG H 1 45 GLU HA . . 5.330 4.612 4.155 5.303 . 0 0 "[ . 1 . 2]" 1
354 1 28 ARG H 1 45 GLU QB . . 5.170 3.755 3.343 4.482 . 0 0 "[ . 1 . 2]" 1
355 1 28 ARG H 1 46 ASP H . . 5.500 5.018 4.643 5.537 0.037 3 0 "[ . 1 . 2]" 1
356 1 28 ARG HA 1 28 ARG QD . . 3.920 3.228 2.019 3.959 0.039 7 0 "[ . 1 . 2]" 1
357 1 28 ARG HA 1 28 ARG QG . . 3.980 2.401 2.027 3.049 . 0 0 "[ . 1 . 2]" 1
358 1 28 ARG QB 1 29 THR H . . 3.670 2.349 2.090 2.504 . 0 0 "[ . 1 . 2]" 1
359 1 28 ARG QB 1 29 THR MG . . 4.570 3.835 2.322 4.577 0.007 6 0 "[ . 1 . 2]" 1
360 1 28 ARG QB 1 43 GLU QB . . 4.340 2.440 2.041 2.917 . 0 0 "[ . 1 . 2]" 1
361 1 28 ARG QB 1 43 GLU QG . . 4.420 3.161 2.251 4.454 0.034 6 0 "[ . 1 . 2]" 1
362 1 28 ARG QB 1 45 GLU H . . 4.040 2.294 1.915 2.639 . 0 0 "[ . 1 . 2]" 1
363 1 28 ARG QB 1 45 GLU QB . . 4.500 2.504 1.952 3.187 . 0 0 "[ . 1 . 2]" 1
364 1 28 ARG QD 1 45 GLU HA . . 4.290 3.336 2.095 4.212 . 0 0 "[ . 1 . 2]" 1
365 1 28 ARG QG 1 29 THR H . . 4.430 3.808 3.259 4.381 . 0 0 "[ . 1 . 2]" 1
366 1 28 ARG QG 1 45 GLU HA . . 4.390 3.209 2.049 4.245 . 0 0 "[ . 1 . 2]" 1
367 1 29 THR H 1 29 THR MG . . 4.000 3.553 2.440 3.943 . 0 0 "[ . 1 . 2]" 1
368 1 29 THR H 1 30 VAL H . . 4.410 4.295 3.905 4.411 0.001 20 0 "[ . 1 . 2]" 1
369 1 29 THR H 1 42 VAL QG . . 4.770 3.680 3.365 4.775 0.005 6 0 "[ . 1 . 2]" 1
370 1 29 THR H 1 43 GLU H . . 3.820 3.136 3.012 3.320 . 0 0 "[ . 1 . 2]" 1
371 1 29 THR H 1 43 GLU QB . . 4.000 2.651 2.407 2.910 . 0 0 "[ . 1 . 2]" 1
372 1 29 THR H 1 43 GLU QG . . 4.780 4.304 3.852 4.771 . 0 0 "[ . 1 . 2]" 1
373 1 29 THR H 1 45 GLU H . . 4.830 4.650 4.502 4.692 . 0 0 "[ . 1 . 2]" 1
374 1 29 THR HA 1 29 THR MG . . 3.480 2.190 1.971 3.206 . 0 0 "[ . 1 . 2]" 1
375 1 29 THR HA 1 30 VAL H . . 3.110 2.318 2.143 2.423 . 0 0 "[ . 1 . 2]" 1
376 1 29 THR HB 1 30 VAL H . . 3.900 2.973 2.425 3.844 . 0 0 "[ . 1 . 2]" 1
377 1 29 THR MG 1 30 VAL H . . 3.710 3.201 2.537 3.655 . 0 0 "[ . 1 . 2]" 1
378 1 29 THR MG 1 43 GLU QB . . 4.260 3.826 1.719 4.309 0.049 5 0 "[ . 1 . 2]" 1
379 1 30 VAL H 1 31 TRP H . . 4.500 4.448 4.280 4.531 0.031 7 0 "[ . 1 . 2]" 1
380 1 30 VAL HA 1 42 VAL QG . . 4.390 2.339 2.106 2.736 . 0 0 "[ . 1 . 2]" 1
381 1 30 VAL QG 1 42 VAL QG . . 4.700 1.902 1.640 2.480 . 0 0 "[ . 1 . 2]" 1
382 1 31 TRP H 1 32 ILE H . . 4.440 4.316 4.097 4.390 . 0 0 "[ . 1 . 2]" 1
383 1 31 TRP H 1 40 ALA MB . . 4.750 4.374 4.204 4.711 . 0 0 "[ . 1 . 2]" 1
384 1 31 TRP H 1 41 PHE H . . 3.960 3.820 3.752 3.878 . 0 0 "[ . 1 . 2]" 1
385 1 31 TRP H 1 43 GLU H . . 5.140 4.759 4.676 4.877 . 0 0 "[ . 1 . 2]" 1
386 1 31 TRP QB 1 41 PHE H . . 4.760 3.502 2.904 4.781 0.021 12 0 "[ . 1 . 2]" 1
387 1 31 TRP HB2 1 32 ILE H . . 5.470 4.009 2.934 4.429 . 0 0 "[ . 1 . 2]" 1
388 1 31 TRP HB3 1 32 ILE H . . 5.470 3.564 3.263 4.128 . 0 0 "[ . 1 . 2]" 1
389 1 31 TRP HE3 1 33 ALA H . . 5.160 4.714 3.875 5.161 0.001 12 0 "[ . 1 . 2]" 1
390 1 31 TRP HE3 1 33 ALA MB . . 4.060 3.796 3.360 4.070 0.010 12 0 "[ . 1 . 2]" 1
391 1 31 TRP HZ3 1 33 ALA MB . . 4.290 3.239 2.200 4.227 . 0 0 "[ . 1 . 2]" 1
392 1 32 ILE H 1 32 ILE MG . . 3.920 3.833 3.050 3.947 0.027 4 0 "[ . 1 . 2]" 1
393 1 32 ILE H 1 33 ALA H . . 4.680 4.442 4.358 4.533 . 0 0 "[ . 1 . 2]" 1
394 1 32 ILE H 1 41 PHE H . . 5.180 4.525 4.204 4.833 . 0 0 "[ . 1 . 2]" 1
395 1 32 ILE HA 1 32 ILE MD . . 3.870 2.745 1.999 3.688 . 0 0 "[ . 1 . 2]" 1
396 1 32 ILE HA 1 32 ILE MG . . 3.650 2.321 2.118 2.982 . 0 0 "[ . 1 . 2]" 1
397 1 32 ILE HA 1 33 ALA MB . . 4.160 3.898 3.889 3.913 . 0 0 "[ . 1 . 2]" 1
398 1 32 ILE HA 1 40 ALA MB . . 3.930 2.108 1.949 2.373 . 0 0 "[ . 1 . 2]" 1
399 1 32 ILE HA 1 41 PHE H . . 4.600 2.785 2.598 3.095 . 0 0 "[ . 1 . 2]" 1
400 1 32 ILE HB 1 40 ALA MB . . 4.200 3.994 3.603 4.332 0.132 14 0 "[ . 1 . 2]" 1
401 1 32 ILE MG 1 33 ALA H . . 3.530 2.075 1.891 2.525 . 0 0 "[ . 1 . 2]" 1
402 1 32 ILE MG 1 33 ALA MB . . 3.850 3.701 3.593 3.830 . 0 0 "[ . 1 . 2]" 1
403 1 32 ILE MG 1 34 ARG HA . . 4.370 3.691 3.414 3.992 . 0 0 "[ . 1 . 2]" 1
404 1 32 ILE MG 1 34 ARG QB . . 4.920 4.119 3.352 4.733 . 0 0 "[ . 1 . 2]" 1
405 1 32 ILE MG 1 40 ALA HA . . 4.370 3.116 2.614 4.116 . 0 0 "[ . 1 . 2]" 1
406 1 32 ILE MG 1 40 ALA MB . . 3.550 2.224 1.876 3.674 0.124 7 0 "[ . 1 . 2]" 1
407 1 33 ALA H 1 33 ALA MB . . 3.440 2.398 2.390 2.408 . 0 0 "[ . 1 . 2]" 1
408 1 33 ALA H 1 34 ARG H . . 4.620 4.196 4.176 4.247 . 0 0 "[ . 1 . 2]" 1
409 1 33 ALA H 1 39 PHE H . . 4.440 4.204 4.095 4.268 . 0 0 "[ . 1 . 2]" 1
410 1 33 ALA H 1 40 ALA HA . . 4.170 2.259 2.170 2.353 . 0 0 "[ . 1 . 2]" 1
411 1 33 ALA H 1 40 ALA MB . . 3.940 3.000 2.866 3.131 . 0 0 "[ . 1 . 2]" 1
412 1 33 ALA H 1 41 PHE H . . 4.140 4.033 3.978 4.088 . 0 0 "[ . 1 . 2]" 1
413 1 33 ALA HA 1 35 ASN H . . 5.030 3.483 3.429 3.525 . 0 0 "[ . 1 . 2]" 1
414 1 33 ALA MB 1 34 ARG H . . 4.000 3.421 3.375 3.440 . 0 0 "[ . 1 . 2]" 1
415 1 33 ALA MB 1 34 ARG QB . . 5.220 4.831 4.737 5.053 . 0 0 "[ . 1 . 2]" 1
416 1 33 ALA MB 1 35 ASN H . . 4.390 3.353 3.226 3.510 . 0 0 "[ . 1 . 2]" 1
417 1 33 ALA MB 1 38 GLY H . . 5.340 5.328 5.239 5.427 0.087 20 0 "[ . 1 . 2]" 1
418 1 33 ALA MB 1 39 PHE H . . 3.620 3.529 3.406 3.663 0.043 3 0 "[ . 1 . 2]" 1
419 1 33 ALA MB 1 40 ALA MB . . 4.260 4.219 3.941 4.324 0.064 12 0 "[ . 1 . 2]" 1
420 1 33 ALA MB 1 41 PHE H . . 4.570 4.329 3.981 4.525 . 0 0 "[ . 1 . 2]" 1
421 1 34 ARG HA 1 34 ARG QD . . 4.700 3.958 3.278 4.394 . 0 0 "[ . 1 . 2]" 1
422 1 34 ARG QB 1 35 ASN H . . 4.290 3.082 2.812 3.593 . 0 0 "[ . 1 . 2]" 1
423 1 35 ASN H 1 35 ASN HB2 . . 4.110 2.123 2.085 2.162 . 0 0 "[ . 1 . 2]" 1
424 1 35 ASN H 1 35 ASN HB3 . . 4.110 3.425 3.354 3.474 . 0 0 "[ . 1 . 2]" 1
425 1 35 ASN QB 1 35 ASN QD . . 2.830 2.096 2.064 2.168 . 0 0 "[ . 1 . 2]" 1
426 1 35 ASN HB2 1 35 ASN HD22 . . 3.970 3.775 3.435 3.969 . 0 0 "[ . 1 . 2]" 1
427 1 35 ASN HB3 1 35 ASN HD22 . . 3.970 3.539 3.435 3.963 . 0 0 "[ . 1 . 2]" 1
428 1 37 PRO QB 1 38 GLY H . . 3.620 3.312 3.135 3.454 . 0 0 "[ . 1 . 2]" 1
429 1 37 PRO QD 1 38 GLY H . . 5.090 2.628 2.603 2.675 . 0 0 "[ . 1 . 2]" 1
430 1 38 GLY H 1 39 PHE H . . 3.200 3.040 2.744 3.215 0.015 6 0 "[ . 1 . 2]" 1
431 1 38 GLY H 1 39 PHE QB . . 4.760 3.565 3.276 3.819 . 0 0 "[ . 1 . 2]" 1
432 1 38 GLY H 1 39 PHE QD . . 4.540 3.599 2.953 4.282 . 0 0 "[ . 1 . 2]" 1
433 1 39 PHE H 1 39 PHE QD . . 4.220 3.978 3.857 4.166 . 0 0 "[ . 1 . 2]" 1
434 1 39 PHE H 1 40 ALA H . . 4.540 4.192 4.060 4.321 . 0 0 "[ . 1 . 2]" 1
435 1 39 PHE H 1 40 ALA MB . . 4.530 4.428 4.315 4.595 0.065 18 0 "[ . 1 . 2]" 1
436 1 39 PHE QB 1 40 ALA H . . 3.740 3.316 2.964 3.565 . 0 0 "[ . 1 . 2]" 1
437 1 39 PHE HB2 1 40 ALA H . . 4.550 4.386 4.200 4.538 . 0 0 "[ . 1 . 2]" 1
438 1 39 PHE HB3 1 40 ALA H . . 4.550 3.434 3.030 3.728 . 0 0 "[ . 1 . 2]" 1
439 1 39 PHE QD 1 40 ALA H . . 4.080 3.576 3.131 4.097 0.017 16 0 "[ . 1 . 2]" 1
440 1 40 ALA MB 1 41 PHE H . . 3.480 2.636 2.547 2.797 . 0 0 "[ . 1 . 2]" 1
441 1 41 PHE H 1 41 PHE QB . . 3.590 2.501 2.347 2.740 . 0 0 "[ . 1 . 2]" 1
442 1 41 PHE H 1 41 PHE QD . . 4.150 3.588 2.821 4.167 0.017 19 0 "[ . 1 . 2]" 1
443 1 41 PHE H 1 42 VAL HA . . 5.200 4.939 4.891 5.040 . 0 0 "[ . 1 . 2]" 1
444 1 41 PHE QB 1 42 VAL H . . 4.050 3.080 2.788 3.540 . 0 0 "[ . 1 . 2]" 1
445 1 41 PHE QD 1 42 VAL H . . 4.480 3.494 2.967 4.158 . 0 0 "[ . 1 . 2]" 1
446 1 42 VAL H 1 42 VAL HB . . 4.180 2.855 2.762 3.585 . 0 0 "[ . 1 . 2]" 1
447 1 42 VAL H 1 43 GLU H . . 4.970 4.402 4.383 4.430 . 0 0 "[ . 1 . 2]" 1
448 1 42 VAL HA 1 43 GLU H . . 3.500 2.269 2.240 2.295 . 0 0 "[ . 1 . 2]" 1
449 1 42 VAL HB 1 43 GLU H . . 4.310 3.776 2.861 3.963 . 0 0 "[ . 1 . 2]" 1
450 1 42 VAL QG 1 43 GLU H . . 3.810 2.079 1.896 2.854 . 0 0 "[ . 1 . 2]" 1
451 1 42 VAL QG 1 43 GLU HA . . 4.290 3.646 3.500 4.307 0.017 6 0 "[ . 1 . 2]" 1
452 1 42 VAL QG 1 53 ALA MB . . 4.740 4.737 4.314 4.813 0.073 7 0 "[ . 1 . 2]" 1
453 1 43 GLU H 1 43 GLU QG . . 4.300 3.910 2.707 4.184 . 0 0 "[ . 1 . 2]" 1
454 1 43 GLU H 1 44 PHE H . . 4.750 4.306 4.168 4.376 . 0 0 "[ . 1 . 2]" 1
455 1 43 GLU QB 1 44 PHE H . . 3.920 3.643 3.228 3.848 . 0 0 "[ . 1 . 2]" 1
456 1 44 PHE H 1 45 GLU HA . . 5.300 5.166 5.093 5.272 . 0 0 "[ . 1 . 2]" 1
457 1 44 PHE H 1 46 ASP H . . 5.500 5.284 5.258 5.298 . 0 0 "[ . 1 . 2]" 1
458 1 44 PHE QB 1 46 ASP H . . 4.280 2.855 2.687 2.926 . 0 0 "[ . 1 . 2]" 1
459 1 45 GLU H 1 45 GLU QB . . 3.470 2.320 2.114 2.626 . 0 0 "[ . 1 . 2]" 1
460 1 45 GLU H 1 46 ASP H . . 4.080 2.751 2.571 2.823 . 0 0 "[ . 1 . 2]" 1
461 1 45 GLU QB 1 46 ASP H . . 3.870 3.210 2.652 3.575 . 0 0 "[ . 1 . 2]" 1
462 1 45 GLU QG 1 46 ASP H . . 4.310 2.964 2.110 4.266 . 0 0 "[ . 1 . 2]" 1
463 1 46 ASP H 1 49 ASP H . . 4.750 4.649 4.520 4.744 . 0 0 "[ . 1 . 2]" 1
464 1 46 ASP HA 1 48 ARG H . . 4.640 4.385 4.309 4.502 . 0 0 "[ . 1 . 2]" 1
465 1 46 ASP HA 1 49 ASP H . . 4.990 4.867 4.495 4.997 0.007 1 0 "[ . 1 . 2]" 1
466 1 46 ASP QB 1 49 ASP H . . 3.840 2.596 2.251 3.391 . 0 0 "[ . 1 . 2]" 1
467 1 47 PRO HA 1 50 ALA H . . 4.020 3.388 3.265 3.546 . 0 0 "[ . 1 . 2]" 1
468 1 47 PRO HA 1 50 ALA MB . . 3.870 2.618 2.316 2.884 . 0 0 "[ . 1 . 2]" 1
469 1 47 PRO HB2 1 48 ARG H . . 3.410 2.990 2.894 3.089 . 0 0 "[ . 1 . 2]" 1
470 1 47 PRO HB2 1 48 ARG QB . . 4.710 4.499 4.251 4.900 0.190 18 0 "[ . 1 . 2]" 1
471 1 47 PRO HB3 1 48 ARG H . . 4.140 3.942 3.887 3.999 . 0 0 "[ . 1 . 2]" 1
472 1 47 PRO QD 1 48 ARG H . . 3.860 2.666 2.633 2.703 . 0 0 "[ . 1 . 2]" 1
473 1 47 PRO QD 1 50 ALA H . . 5.400 5.180 5.068 5.240 . 0 0 "[ . 1 . 2]" 1
474 1 48 ARG H 1 48 ARG HE . . 4.600 4.259 2.362 4.608 0.008 16 0 "[ . 1 . 2]" 1
475 1 48 ARG H 1 49 ASP H . . 3.330 2.841 2.632 2.902 . 0 0 "[ . 1 . 2]" 1
476 1 48 ARG H 1 50 ALA H . . 4.290 4.150 4.104 4.193 . 0 0 "[ . 1 . 2]" 1
477 1 48 ARG H 1 50 ALA MB . . 4.970 4.850 4.669 4.983 0.013 18 0 "[ . 1 . 2]" 1
478 1 48 ARG H 1 51 GLU H . . 5.170 4.726 4.653 4.894 . 0 0 "[ . 1 . 2]" 1
479 1 48 ARG HA 1 48 ARG QD . . 4.570 4.094 3.548 4.471 . 0 0 "[ . 1 . 2]" 1
480 1 48 ARG HA 1 50 ALA H . . 4.540 4.278 4.209 4.372 . 0 0 "[ . 1 . 2]" 1
481 1 48 ARG HA 1 51 GLU H . . 4.040 3.459 3.353 3.627 . 0 0 "[ . 1 . 2]" 1
482 1 48 ARG HA 1 52 ASP H . . 4.390 4.005 3.783 4.150 . 0 0 "[ . 1 . 2]" 1
483 1 48 ARG QB 1 49 ASP H . . 3.530 2.706 2.391 3.399 . 0 0 "[ . 1 . 2]" 1
484 1 48 ARG QB 1 50 ALA H . . 5.090 4.722 4.566 5.040 . 0 0 "[ . 1 . 2]" 1
485 1 48 ARG QB 1 51 GLU H . . 5.300 4.985 4.835 5.164 . 0 0 "[ . 1 . 2]" 1
486 1 48 ARG QB 1 52 ASP H . . 5.420 5.098 4.535 5.360 . 0 0 "[ . 1 . 2]" 1
487 1 48 ARG HE 1 49 ASP H . . 5.400 4.646 3.447 5.366 . 0 0 "[ . 1 . 2]" 1
488 1 48 ARG QG 1 49 ASP H . . 3.800 3.161 1.891 3.838 0.038 18 0 "[ . 1 . 2]" 1
489 1 49 ASP H 1 49 ASP QB . . 3.630 2.570 2.176 2.644 . 0 0 "[ . 1 . 2]" 1
490 1 49 ASP H 1 50 ALA H . . 3.240 2.641 2.545 2.703 . 0 0 "[ . 1 . 2]" 1
491 1 49 ASP H 1 50 ALA MB . . 4.430 4.269 4.137 4.388 . 0 0 "[ . 1 . 2]" 1
492 1 49 ASP H 1 51 GLU H . . 4.420 4.199 4.172 4.243 . 0 0 "[ . 1 . 2]" 1
493 1 49 ASP H 1 52 ASP H . . 5.150 4.884 4.689 4.960 . 0 0 "[ . 1 . 2]" 1
494 1 49 ASP HA 1 52 ASP H . . 4.060 3.747 3.642 3.832 . 0 0 "[ . 1 . 2]" 1
495 1 49 ASP HA 1 52 ASP QB . . 4.350 3.056 2.636 3.367 . 0 0 "[ . 1 . 2]" 1
496 1 49 ASP HB2 1 50 ALA H . . 4.100 2.741 2.655 2.918 . 0 0 "[ . 1 . 2]" 1
497 1 49 ASP HB3 1 50 ALA H . . 4.100 3.871 3.429 3.935 . 0 0 "[ . 1 . 2]" 1
498 1 50 ALA H 1 50 ALA MB . . 3.280 2.108 2.041 2.256 . 0 0 "[ . 1 . 2]" 1
499 1 50 ALA H 1 51 GLU H . . 3.510 2.556 2.506 2.608 . 0 0 "[ . 1 . 2]" 1
500 1 50 ALA H 1 52 ASP H . . 4.180 4.161 3.960 4.206 0.026 13 0 "[ . 1 . 2]" 1
501 1 50 ALA HA 1 53 ALA MB . . 3.600 2.520 2.341 2.753 . 0 0 "[ . 1 . 2]" 1
502 1 50 ALA HA 1 54 VAL H . . 4.340 3.634 3.371 3.985 . 0 0 "[ . 1 . 2]" 1
503 1 50 ALA HA 1 54 VAL QG . . 5.030 3.360 3.141 3.729 . 0 0 "[ . 1 . 2]" 1
504 1 50 ALA MB 1 51 GLU H . . 3.520 2.631 2.538 2.716 . 0 0 "[ . 1 . 2]" 1
505 1 50 ALA MB 1 51 GLU HA . . 4.380 3.728 3.667 3.822 . 0 0 "[ . 1 . 2]" 1
506 1 50 ALA MB 1 71 LEU QD . . 3.300 2.379 1.830 3.350 0.050 19 0 "[ . 1 . 2]" 1
507 1 51 GLU H 1 51 GLU QG . . 4.020 3.484 1.986 3.982 . 0 0 "[ . 1 . 2]" 1
508 1 51 GLU H 1 52 ASP H . . 3.340 2.709 2.625 2.759 . 0 0 "[ . 1 . 2]" 1
509 1 51 GLU H 1 52 ASP QB . . 4.750 4.511 4.364 4.716 . 0 0 "[ . 1 . 2]" 1
510 1 51 GLU H 1 54 VAL QG . . 4.740 4.496 4.368 4.615 . 0 0 "[ . 1 . 2]" 1
511 1 51 GLU H 1 71 LEU QD . . 4.410 3.715 3.113 4.436 0.026 19 0 "[ . 1 . 2]" 1
512 1 51 GLU HA 1 53 ALA H . . 5.110 4.735 4.408 4.942 . 0 0 "[ . 1 . 2]" 1
513 1 51 GLU HA 1 54 VAL H . . 4.360 3.907 3.681 4.131 . 0 0 "[ . 1 . 2]" 1
514 1 51 GLU HA 1 54 VAL HB . . 3.570 3.105 2.899 3.356 . 0 0 "[ . 1 . 2]" 1
515 1 51 GLU HA 1 54 VAL QG . . 3.810 3.428 3.081 3.588 . 0 0 "[ . 1 . 2]" 1
516 1 51 GLU HA 1 55 ARG H . . 4.270 3.806 3.583 4.105 . 0 0 "[ . 1 . 2]" 1
517 1 51 GLU HA 1 71 LEU QD . . 3.990 2.621 1.986 4.008 0.018 11 0 "[ . 1 . 2]" 1
518 1 51 GLU QG 1 52 ASP H . . 4.360 4.047 2.069 4.346 . 0 0 "[ . 1 . 2]" 1
519 1 52 ASP H 1 52 ASP HB2 . . 3.730 2.257 2.076 2.404 . 0 0 "[ . 1 . 2]" 1
520 1 52 ASP H 1 52 ASP HB3 . . 3.730 3.252 2.699 3.588 . 0 0 "[ . 1 . 2]" 1
521 1 52 ASP H 1 55 ARG QB . . 5.500 4.729 4.526 5.092 . 0 0 "[ . 1 . 2]" 1
522 1 52 ASP H 1 55 ARG QD . . 5.500 4.596 4.117 5.533 0.033 15 0 "[ . 1 . 2]" 1
523 1 52 ASP HA 1 54 VAL H . . 5.350 4.637 4.219 4.956 . 0 0 "[ . 1 . 2]" 1
524 1 52 ASP HA 1 55 ARG H . . 4.220 3.772 3.544 4.145 . 0 0 "[ . 1 . 2]" 1
525 1 52 ASP HA 1 55 ARG QB . . 3.610 2.705 2.355 3.642 0.032 13 0 "[ . 1 . 2]" 1
526 1 52 ASP HA 1 55 ARG QD . . 4.080 3.026 2.081 3.707 . 0 0 "[ . 1 . 2]" 1
527 1 52 ASP HA 1 56 GLY H . . 4.820 3.950 3.621 4.130 . 0 0 "[ . 1 . 2]" 1
528 1 52 ASP QB 1 53 ALA H . . 3.680 2.516 2.339 2.783 . 0 0 "[ . 1 . 2]" 1
529 1 53 ALA H 1 53 ALA MB . . 3.210 2.177 2.097 2.233 . 0 0 "[ . 1 . 2]" 1
530 1 53 ALA H 1 54 VAL QG . . 4.470 4.359 4.173 4.539 0.069 16 0 "[ . 1 . 2]" 1
531 1 53 ALA H 1 55 ARG H . . 4.740 4.384 4.000 4.611 . 0 0 "[ . 1 . 2]" 1
532 1 53 ALA H 1 55 ARG QB . . 5.160 4.988 4.760 5.359 0.199 13 0 "[ . 1 . 2]" 1
533 1 53 ALA H 1 57 LEU QD . . 5.440 5.065 4.643 5.457 0.017 1 0 "[ . 1 . 2]" 1
534 1 53 ALA HA 1 56 GLY H . . 4.220 3.780 3.560 3.887 . 0 0 "[ . 1 . 2]" 1
535 1 53 ALA HA 1 57 LEU H . . 4.310 3.757 3.449 3.877 . 0 0 "[ . 1 . 2]" 1
536 1 53 ALA HA 1 57 LEU QD . . 4.410 3.127 2.685 3.867 . 0 0 "[ . 1 . 2]" 1
537 1 53 ALA MB 1 54 VAL H . . 3.600 2.464 2.269 2.658 . 0 0 "[ . 1 . 2]" 1
538 1 53 ALA MB 1 54 VAL QG . . 3.370 3.106 2.846 3.364 . 0 0 "[ . 1 . 2]" 1
539 1 53 ALA MB 1 56 GLY H . . 4.910 4.721 4.570 4.838 . 0 0 "[ . 1 . 2]" 1
540 1 53 ALA MB 1 57 LEU H . . 4.520 4.417 4.259 4.521 0.001 14 0 "[ . 1 . 2]" 1
541 1 53 ALA MB 1 57 LEU QD . . 3.850 2.792 2.080 3.202 . 0 0 "[ . 1 . 2]" 1
542 1 54 VAL H 1 54 VAL HB . . 3.360 2.464 2.272 2.544 . 0 0 "[ . 1 . 2]" 1
543 1 54 VAL H 1 54 VAL QG . . 2.920 2.331 2.035 2.701 . 0 0 "[ . 1 . 2]" 1
544 1 54 VAL H 1 55 ARG H . . 3.390 2.774 2.645 2.936 . 0 0 "[ . 1 . 2]" 1
545 1 54 VAL H 1 55 ARG QG . . 5.500 4.995 4.298 5.611 0.111 16 0 "[ . 1 . 2]" 1
546 1 54 VAL H 1 56 GLY H . . 4.380 4.064 3.808 4.244 . 0 0 "[ . 1 . 2]" 1
547 1 54 VAL H 1 57 LEU QB . . 5.500 4.826 4.383 5.154 . 0 0 "[ . 1 . 2]" 1
548 1 54 VAL HB 1 55 ARG H . . 3.670 2.384 2.139 2.603 . 0 0 "[ . 1 . 2]" 1
549 1 54 VAL HB 1 56 GLY H . . 5.230 4.858 4.677 5.038 . 0 0 "[ . 1 . 2]" 1
550 1 54 VAL HB 1 71 LEU QD . . 3.700 3.079 2.291 3.737 0.037 19 0 "[ . 1 . 2]" 1
551 1 54 VAL QG 1 55 ARG H . . 3.320 2.963 2.549 3.145 . 0 0 "[ . 1 . 2]" 1
552 1 54 VAL QG 1 55 ARG HA . . 4.040 3.259 2.828 3.499 . 0 0 "[ . 1 . 2]" 1
553 1 54 VAL QG 1 55 ARG QB . . 4.550 4.153 3.490 4.371 . 0 0 "[ . 1 . 2]" 1
554 1 54 VAL QG 1 55 ARG QG . . 4.440 3.758 3.209 4.789 0.349 7 0 "[ . 1 . 2]" 1
555 1 54 VAL QG 1 56 GLY H . . 4.630 4.434 4.168 4.568 . 0 0 "[ . 1 . 2]" 1
556 1 54 VAL QG 1 57 LEU QB . . 4.790 3.792 3.342 4.166 . 0 0 "[ . 1 . 2]" 1
557 1 54 VAL QG 1 58 ASP H . . 3.760 3.570 3.382 3.777 0.017 15 0 "[ . 1 . 2]" 1
558 1 54 VAL QG 1 58 ASP HA . . 4.770 4.787 4.583 4.951 0.181 20 0 "[ . 1 . 2]" 1
559 1 54 VAL QG 1 58 ASP QB . . 4.280 2.536 2.273 2.775 . 0 0 "[ . 1 . 2]" 1
560 1 54 VAL QG 1 69 VAL H . . 4.500 4.200 3.940 4.571 0.071 7 0 "[ . 1 . 2]" 1
561 1 54 VAL QG 1 70 GLU HA . . 3.760 2.193 1.869 2.713 . 0 0 "[ . 1 . 2]" 1
562 1 54 VAL QG 1 70 GLU QB . . 4.130 3.836 3.559 4.140 0.010 7 0 "[ . 1 . 2]" 1
563 1 54 VAL QG 1 71 LEU H . . 4.630 3.186 2.676 3.504 . 0 0 "[ . 1 . 2]" 1
564 1 54 VAL QG 1 71 LEU HA . . 4.060 3.574 3.237 3.980 . 0 0 "[ . 1 . 2]" 1
565 1 54 VAL QG 1 71 LEU QB . . 3.920 3.249 2.257 3.796 . 0 0 "[ . 1 . 2]" 1
566 1 54 VAL QG 1 71 LEU QD . . 2.670 2.109 1.707 2.693 0.023 14 0 "[ . 1 . 2]" 1
567 1 55 ARG H 1 55 ARG QB . . 3.150 2.251 2.057 2.465 . 0 0 "[ . 1 . 2]" 1
568 1 55 ARG H 1 55 ARG QG . . 4.190 2.717 2.127 3.720 . 0 0 "[ . 1 . 2]" 1
569 1 55 ARG H 1 56 GLY H . . 3.500 2.790 2.589 2.882 . 0 0 "[ . 1 . 2]" 1
570 1 55 ARG H 1 57 LEU H . . 5.000 4.677 4.226 4.986 . 0 0 "[ . 1 . 2]" 1
571 1 55 ARG HA 1 55 ARG QD . . 4.940 4.095 3.956 4.535 . 0 0 "[ . 1 . 2]" 1
572 1 55 ARG HA 1 55 ARG QG . . 3.840 2.473 2.280 3.318 . 0 0 "[ . 1 . 2]" 1
573 1 55 ARG HA 1 58 ASP H . . 5.070 4.205 3.893 4.446 . 0 0 "[ . 1 . 2]" 1
574 1 55 ARG QB 1 56 GLY H . . 3.490 2.762 2.589 3.450 . 0 0 "[ . 1 . 2]" 1
575 1 55 ARG QB 1 56 GLY QA . . 4.610 3.721 3.540 4.233 . 0 0 "[ . 1 . 2]" 1
576 1 55 ARG QB 1 57 LEU H . . 5.280 5.114 4.752 5.427 0.147 7 0 "[ . 1 . 2]" 1
577 1 55 ARG QB 1 59 GLY H . . 4.990 4.725 4.585 5.021 0.031 15 0 "[ . 1 . 2]" 1
578 1 55 ARG QD 1 56 GLY H . . 5.180 4.657 4.073 4.936 . 0 0 "[ . 1 . 2]" 1
579 1 55 ARG QG 1 56 GLY H . . 4.620 3.973 2.171 4.422 . 0 0 "[ . 1 . 2]" 1
580 1 56 GLY H 1 57 LEU QB . . 5.130 4.454 4.231 4.834 . 0 0 "[ . 1 . 2]" 1
581 1 56 GLY H 1 57 LEU QD . . 5.440 4.199 3.881 4.813 . 0 0 "[ . 1 . 2]" 1
582 1 56 GLY H 1 58 ASP H . . 4.270 4.083 3.753 4.257 . 0 0 "[ . 1 . 2]" 1
583 1 56 GLY QA 1 58 ASP H . . 4.740 4.162 3.839 4.369 . 0 0 "[ . 1 . 2]" 1
584 1 56 GLY HA2 1 58 ASP H . . 5.500 4.648 4.247 4.969 . 0 0 "[ . 1 . 2]" 1
585 1 56 GLY HA3 1 58 ASP H . . 5.500 4.701 4.378 4.906 . 0 0 "[ . 1 . 2]" 1
586 1 57 LEU H 1 57 LEU QB . . 3.720 2.279 2.129 2.586 . 0 0 "[ . 1 . 2]" 1
587 1 57 LEU H 1 57 LEU MD1 . . 3.830 2.720 1.916 4.155 0.325 20 0 "[ . 1 . 2]" 1
588 1 57 LEU H 1 57 LEU MD2 . . 3.830 3.410 2.036 3.845 0.015 9 0 "[ . 1 . 2]" 1
589 1 57 LEU H 1 57 LEU HG . . 4.310 3.408 1.989 4.110 . 0 0 "[ . 1 . 2]" 1
590 1 57 LEU H 1 58 ASP H . . 3.380 2.853 2.593 2.971 . 0 0 "[ . 1 . 2]" 1
591 1 57 LEU H 1 58 ASP QB . . 5.210 4.641 4.376 4.990 . 0 0 "[ . 1 . 2]" 1
592 1 57 LEU H 1 69 VAL QG . . 4.510 3.883 3.423 4.393 . 0 0 "[ . 1 . 2]" 1
593 1 57 LEU HA 1 57 LEU MD1 . . 3.920 2.867 2.136 3.944 0.024 6 0 "[ . 1 . 2]" 1
594 1 57 LEU HA 1 57 LEU QD . . 3.370 2.248 1.974 2.523 . 0 0 "[ . 1 . 2]" 1
595 1 57 LEU HA 1 57 LEU MD2 . . 3.920 3.051 1.980 3.811 . 0 0 "[ . 1 . 2]" 1
596 1 57 LEU QB 1 58 ASP H . . 4.160 2.490 2.201 2.811 . 0 0 "[ . 1 . 2]" 1
597 1 57 LEU QB 1 58 ASP QB . . 4.560 3.696 3.561 3.839 . 0 0 "[ . 1 . 2]" 1
598 1 57 LEU QB 1 59 GLY H . . 4.670 4.489 4.285 4.711 0.041 15 0 "[ . 1 . 2]" 1
599 1 57 LEU QD 1 58 ASP H . . 4.670 3.845 3.588 4.043 . 0 0 "[ . 1 . 2]" 1
600 1 57 LEU QD 1 62 ILE QG . . 4.520 3.244 2.812 3.922 . 0 0 "[ . 1 . 2]" 1
601 1 57 LEU QD 1 62 ILE MG . . 4.040 2.678 1.853 3.548 . 0 0 "[ . 1 . 2]" 1
602 1 57 LEU QD 1 69 VAL HB . . 4.460 3.740 3.087 4.495 0.035 7 0 "[ . 1 . 2]" 1
603 1 57 LEU QD 1 69 VAL QG . . 2.970 2.327 1.802 3.014 0.044 19 0 "[ . 1 . 2]" 1
604 1 58 ASP H 1 58 ASP HB2 . . 3.570 2.607 2.101 3.610 0.040 20 0 "[ . 1 . 2]" 1
605 1 58 ASP H 1 58 ASP HB3 . . 3.570 2.612 2.189 3.136 . 0 0 "[ . 1 . 2]" 1
606 1 58 ASP H 1 59 GLY H . . 4.060 2.486 2.297 2.689 . 0 0 "[ . 1 . 2]" 1
607 1 58 ASP H 1 59 GLY QA . . 5.340 4.385 4.223 4.581 . 0 0 "[ . 1 . 2]" 1
608 1 58 ASP H 1 69 VAL H . . 4.610 4.628 4.581 4.667 0.057 8 0 "[ . 1 . 2]" 1
609 1 58 ASP HA 1 60 LYS H . . 4.520 4.109 3.725 4.546 0.026 7 0 "[ . 1 . 2]" 1
610 1 58 ASP HA 1 69 VAL H . . 4.170 3.339 2.923 3.858 . 0 0 "[ . 1 . 2]" 1
611 1 58 ASP QB 1 69 VAL H . . 4.000 2.882 2.377 3.414 . 0 0 "[ . 1 . 2]" 1
612 1 58 ASP HB2 1 59 GLY H . . 4.430 3.871 3.460 4.228 . 0 0 "[ . 1 . 2]" 1
613 1 58 ASP HB2 1 69 VAL H . . 4.590 2.953 2.391 3.531 . 0 0 "[ . 1 . 2]" 1
614 1 58 ASP HB3 1 59 GLY H . . 4.430 2.868 2.665 3.820 . 0 0 "[ . 1 . 2]" 1
615 1 58 ASP HB3 1 69 VAL H . . 4.590 4.347 2.800 4.632 0.042 15 0 "[ . 1 . 2]" 1
616 1 59 GLY H 1 60 LYS H . . 3.390 2.675 2.344 2.941 . 0 0 "[ . 1 . 2]" 1
617 1 60 LYS H 1 61 VAL H . . 4.360 4.130 3.984 4.307 . 0 0 "[ . 1 . 2]" 1
618 1 60 LYS HA 1 60 LYS QD . . 3.620 2.640 2.042 3.839 0.219 11 0 "[ . 1 . 2]" 1
619 1 60 LYS HA 1 61 VAL H . . 3.230 2.448 2.140 2.903 . 0 0 "[ . 1 . 2]" 1
620 1 60 LYS QD 1 61 VAL H . . 3.390 2.604 1.908 3.517 0.127 11 0 "[ . 1 . 2]" 1
621 1 60 LYS QD 1 61 VAL QG . . 3.810 2.900 1.968 3.834 0.024 17 0 "[ . 1 . 2]" 1
622 1 60 LYS QE 1 61 VAL MG1 . . 4.370 3.975 1.918 4.389 0.019 17 0 "[ . 1 . 2]" 1
623 1 60 LYS QE 1 61 VAL MG2 . . 4.370 3.236 2.455 4.431 0.061 10 0 "[ . 1 . 2]" 1
624 1 61 VAL H 1 61 VAL HB . . 3.670 3.436 2.474 3.742 0.072 7 0 "[ . 1 . 2]" 1
625 1 61 VAL H 1 61 VAL MG1 . . 3.910 2.380 1.867 3.796 . 0 0 "[ . 1 . 2]" 1
626 1 61 VAL H 1 61 VAL QG . . 3.010 2.001 1.816 2.597 . 0 0 "[ . 1 . 2]" 1
627 1 61 VAL H 1 61 VAL MG2 . . 3.910 2.418 2.032 3.806 . 0 0 "[ . 1 . 2]" 1
628 1 61 VAL H 1 62 ILE H . . 4.680 4.599 4.533 4.647 . 0 0 "[ . 1 . 2]" 1
629 1 61 VAL HA 1 62 ILE H . . 3.400 2.289 2.182 2.395 . 0 0 "[ . 1 . 2]" 1
630 1 61 VAL HA 1 64 GLY H . . 5.500 5.480 4.808 5.566 0.066 20 0 "[ . 1 . 2]" 1
631 1 61 VAL HA 1 65 SER H . . 4.300 4.187 3.896 4.315 0.015 10 0 "[ . 1 . 2]" 1
632 1 61 VAL HB 1 62 ILE H . . 4.280 2.932 2.448 4.118 . 0 0 "[ . 1 . 2]" 1
633 1 61 VAL QG 1 62 ILE H . . 3.370 2.962 1.969 3.368 . 0 0 "[ . 1 . 2]" 1
634 1 61 VAL QG 1 63 CYS H . . 4.110 3.875 3.317 4.108 . 0 0 "[ . 1 . 2]" 1
635 1 61 VAL QG 1 64 GLY H . . 3.290 2.527 2.050 2.841 . 0 0 "[ . 1 . 2]" 1
636 1 61 VAL QG 1 64 GLY HA2 . . 3.970 2.759 2.237 3.096 . 0 0 "[ . 1 . 2]" 1
637 1 61 VAL QG 1 64 GLY HA3 . . 4.460 4.065 3.553 4.363 . 0 0 "[ . 1 . 2]" 1
638 1 61 VAL QG 1 65 SER H . . 3.190 2.818 1.909 3.192 0.002 17 0 "[ . 1 . 2]" 1
639 1 61 VAL QG 1 65 SER HA . . 5.030 4.149 3.129 4.510 . 0 0 "[ . 1 . 2]" 1
640 1 61 VAL QG 1 65 SER QB . . 4.870 4.275 3.397 4.624 . 0 0 "[ . 1 . 2]" 1
641 1 61 VAL QG 1 66 ARG H . . 3.640 3.251 2.307 3.566 . 0 0 "[ . 1 . 2]" 1
642 1 61 VAL QG 1 66 ARG HA . . 3.510 2.121 1.915 2.699 . 0 0 "[ . 1 . 2]" 1
643 1 61 VAL QG 1 66 ARG QD . . 4.750 3.087 1.924 4.083 . 0 0 "[ . 1 . 2]" 1
644 1 61 VAL MG1 1 62 ILE H . . 4.180 3.611 1.975 3.976 . 0 0 "[ . 1 . 2]" 1
645 1 61 VAL MG1 1 64 GLY HA2 . . 4.590 4.018 2.348 4.500 . 0 0 "[ . 1 . 2]" 1
646 1 61 VAL MG1 1 65 SER H . . 4.380 3.852 1.911 4.292 . 0 0 "[ . 1 . 2]" 1
647 1 61 VAL MG1 1 66 ARG H . . 4.820 3.463 2.935 4.919 0.099 10 0 "[ . 1 . 2]" 1
648 1 61 VAL MG2 1 62 ILE H . . 4.180 3.403 2.109 3.876 . 0 0 "[ . 1 . 2]" 1
649 1 61 VAL MG2 1 64 GLY HA2 . . 4.590 3.098 2.259 4.425 . 0 0 "[ . 1 . 2]" 1
650 1 61 VAL MG2 1 65 SER H . . 4.380 3.252 2.032 4.384 0.004 20 0 "[ . 1 . 2]" 1
651 1 61 VAL MG2 1 66 ARG H . . 4.820 4.482 2.312 4.882 0.062 14 0 "[ . 1 . 2]" 1
652 1 62 ILE H 1 62 ILE HB . . 3.870 3.159 3.031 3.197 . 0 0 "[ . 1 . 2]" 1
653 1 62 ILE H 1 62 ILE MD . . 4.660 4.098 3.909 4.343 . 0 0 "[ . 1 . 2]" 1
654 1 62 ILE H 1 63 CYS H . . 4.320 4.260 3.994 4.352 0.032 10 0 "[ . 1 . 2]" 1
655 1 62 ILE H 1 64 GLY H . . 4.400 4.172 3.777 4.435 0.035 10 0 "[ . 1 . 2]" 1
656 1 62 ILE H 1 65 SER H . . 3.660 2.641 2.468 2.953 . 0 0 "[ . 1 . 2]" 1
657 1 62 ILE H 1 65 SER HA . . 4.990 4.519 4.375 4.670 . 0 0 "[ . 1 . 2]" 1
658 1 62 ILE H 1 67 VAL H . . 4.160 4.027 3.714 4.186 0.026 20 0 "[ . 1 . 2]" 1
659 1 62 ILE HA 1 62 ILE QG . . 3.440 2.683 2.392 3.065 . 0 0 "[ . 1 . 2]" 1
660 1 62 ILE HA 1 62 ILE MG . . 3.290 3.190 3.177 3.194 . 0 0 "[ . 1 . 2]" 1
661 1 62 ILE HA 1 63 CYS H . . 3.310 2.151 2.140 2.221 . 0 0 "[ . 1 . 2]" 1
662 1 62 ILE HA 1 63 CYS HA . . 4.450 4.367 4.359 4.405 . 0 0 "[ . 1 . 2]" 1
663 1 62 ILE HA 1 64 GLY H . . 4.390 3.946 3.769 4.249 . 0 0 "[ . 1 . 2]" 1
664 1 62 ILE HA 1 65 SER H . . 4.340 4.142 4.094 4.242 . 0 0 "[ . 1 . 2]" 1
665 1 62 ILE HB 1 63 CYS H . . 4.400 4.245 4.158 4.461 0.061 8 0 "[ . 1 . 2]" 1
666 1 62 ILE HB 1 65 SER H . . 5.400 5.210 5.067 5.311 . 0 0 "[ . 1 . 2]" 1
667 1 62 ILE MD 1 63 CYS H . . 4.620 2.978 2.228 3.673 . 0 0 "[ . 1 . 2]" 1
668 1 62 ILE MD 1 64 GLY H . . 5.500 4.760 4.631 4.975 . 0 0 "[ . 1 . 2]" 1
669 1 62 ILE MD 1 65 SER H . . 5.150 4.560 3.982 5.133 . 0 0 "[ . 1 . 2]" 1
670 1 62 ILE QG 1 63 CYS H . . 4.170 2.963 2.515 3.811 . 0 0 "[ . 1 . 2]" 1
671 1 62 ILE QG 1 63 CYS QB . . 3.830 2.666 2.510 2.790 . 0 0 "[ . 1 . 2]" 1
672 1 62 ILE QG 1 64 GLY H . . 5.340 5.017 4.829 5.349 0.009 16 0 "[ . 1 . 2]" 1
673 1 62 ILE MG 1 63 CYS HB2 . . 4.560 4.233 4.027 4.497 . 0 0 "[ . 1 . 2]" 1
674 1 62 ILE MG 1 63 CYS QB . . 3.970 3.692 3.607 3.890 . 0 0 "[ . 1 . 2]" 1
675 1 62 ILE MG 1 63 CYS HB3 . . 4.560 4.077 3.883 4.401 . 0 0 "[ . 1 . 2]" 1
676 1 62 ILE MG 1 65 SER H . . 4.350 3.296 2.857 3.407 . 0 0 "[ . 1 . 2]" 1
677 1 62 ILE MG 1 65 SER QB . . 3.980 1.930 1.855 2.257 . 0 0 "[ . 1 . 2]" 1
678 1 63 CYS H 1 64 GLY H . . 3.570 2.851 2.624 2.940 . 0 0 "[ . 1 . 2]" 1
679 1 63 CYS H 1 65 SER H . . 4.350 4.091 3.897 4.201 . 0 0 "[ . 1 . 2]" 1
680 1 63 CYS HA 1 64 GLY H . . 3.540 2.772 2.651 2.889 . 0 0 "[ . 1 . 2]" 1
681 1 63 CYS QB 1 64 GLY H . . 4.050 3.894 3.813 3.960 . 0 0 "[ . 1 . 2]" 1
682 1 63 CYS HB2 1 64 GLY H . . 4.790 4.555 4.450 4.624 . 0 0 "[ . 1 . 2]" 1
683 1 63 CYS HB3 1 64 GLY H . . 4.790 4.228 4.141 4.306 . 0 0 "[ . 1 . 2]" 1
684 1 64 GLY H 1 65 SER H . . 3.300 2.520 2.277 2.647 . 0 0 "[ . 1 . 2]" 1
685 1 65 SER H 1 65 SER HB2 . . 3.930 2.939 2.713 3.493 . 0 0 "[ . 1 . 2]" 1
686 1 65 SER H 1 65 SER QB . . 3.300 2.691 2.460 2.831 . 0 0 "[ . 1 . 2]" 1
687 1 65 SER H 1 65 SER HB3 . . 3.930 3.490 2.514 3.847 . 0 0 "[ . 1 . 2]" 1
688 1 65 SER H 1 66 ARG H . . 4.110 3.914 3.833 4.002 . 0 0 "[ . 1 . 2]" 1
689 1 65 SER HA 1 66 ARG H . . 3.010 2.201 2.173 2.230 . 0 0 "[ . 1 . 2]" 1
690 1 65 SER QB 1 67 VAL H . . 4.480 3.372 3.064 4.058 . 0 0 "[ . 1 . 2]" 1
691 1 65 SER QB 1 67 VAL QG . . 4.250 2.721 2.177 3.808 . 0 0 "[ . 1 . 2]" 1
692 1 65 SER HB2 1 66 ARG H . . 4.740 4.395 4.284 4.578 . 0 0 "[ . 1 . 2]" 1
693 1 65 SER HB2 1 67 VAL H . . 5.090 3.990 3.452 4.869 . 0 0 "[ . 1 . 2]" 1
694 1 65 SER HB3 1 66 ARG H . . 4.740 4.082 3.838 4.611 . 0 0 "[ . 1 . 2]" 1
695 1 65 SER HB3 1 67 VAL H . . 5.090 3.692 3.299 4.428 . 0 0 "[ . 1 . 2]" 1
696 1 66 ARG H 1 66 ARG QD . . 4.180 3.295 1.992 4.254 0.074 17 0 "[ . 1 . 2]" 1
697 1 66 ARG H 1 67 VAL H . . 3.960 3.409 3.265 3.661 . 0 0 "[ . 1 . 2]" 1
698 1 66 ARG HA 1 67 VAL H . . 3.310 2.648 2.515 2.728 . 0 0 "[ . 1 . 2]" 1
699 1 66 ARG HA 1 67 VAL QG . . 4.240 3.823 3.659 4.144 . 0 0 "[ . 1 . 2]" 1
700 1 66 ARG QB 1 66 ARG QD . . 3.360 2.015 1.946 2.253 . 0 0 "[ . 1 . 2]" 1
701 1 66 ARG QG 1 67 VAL H . . 4.310 4.036 3.894 4.538 0.228 14 0 "[ . 1 . 2]" 1
702 1 67 VAL H 1 67 VAL QG . . 3.310 2.011 1.841 2.368 . 0 0 "[ . 1 . 2]" 1
703 1 67 VAL H 1 68 ARG H . . 4.640 4.610 4.568 4.642 0.002 6 0 "[ . 1 . 2]" 1
704 1 67 VAL QG 1 68 ARG H . . 3.810 2.652 1.867 3.182 . 0 0 "[ . 1 . 2]" 1
705 1 68 ARG H 1 68 ARG QB . . 3.520 2.415 2.320 2.550 . 0 0 "[ . 1 . 2]" 1
706 1 68 ARG H 1 69 VAL H . . 4.740 4.149 4.031 4.335 . 0 0 "[ . 1 . 2]" 1
707 1 68 ARG HA 1 68 ARG QD . . 4.230 2.873 2.013 4.047 . 0 0 "[ . 1 . 2]" 1
708 1 68 ARG HA 1 69 VAL H . . 3.560 2.164 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
709 1 68 ARG QB 1 69 VAL H . . 4.000 3.815 3.556 3.944 . 0 0 "[ . 1 . 2]" 1
710 1 68 ARG HE 1 69 VAL H . . 5.120 4.541 2.942 5.117 . 0 0 "[ . 1 . 2]" 1
711 1 69 VAL H 1 69 VAL HB . . 4.060 2.900 2.632 3.228 . 0 0 "[ . 1 . 2]" 1
712 1 69 VAL H 1 70 GLU H . . 4.580 4.479 4.421 4.513 . 0 0 "[ . 1 . 2]" 1
713 1 69 VAL HA 1 70 GLU H . . 3.470 2.207 2.160 2.232 . 0 0 "[ . 1 . 2]" 1
714 1 69 VAL QG 1 70 GLU H . . 3.250 2.270 2.087 2.596 . 0 0 "[ . 1 . 2]" 1
715 1 69 VAL QG 1 70 GLU QB . . 4.230 4.008 3.877 4.228 . 0 0 "[ . 1 . 2]" 1
716 1 70 GLU H 1 70 GLU QB . . 3.660 2.733 2.636 2.875 . 0 0 "[ . 1 . 2]" 1
717 1 70 GLU HA 1 71 LEU H . . 3.360 2.420 2.373 2.434 . 0 0 "[ . 1 . 2]" 1
718 1 70 GLU HA 1 71 LEU QD . . 4.650 3.920 3.375 4.497 . 0 0 "[ . 1 . 2]" 1
719 1 70 GLU QB 1 71 LEU H . . 4.050 2.820 2.586 3.125 . 0 0 "[ . 1 . 2]" 1
720 1 70 GLU QB 1 72 SER H . . 5.010 4.644 4.347 4.997 . 0 0 "[ . 1 . 2]" 1
721 1 70 GLU QG 1 71 LEU H . . 4.140 2.385 1.931 2.855 . 0 0 "[ . 1 . 2]" 1
722 1 70 GLU QG 1 71 LEU QD . . 5.050 4.208 2.769 4.987 . 0 0 "[ . 1 . 2]" 1
723 1 71 LEU H 1 71 LEU QD . . 3.880 2.992 1.848 3.627 . 0 0 "[ . 1 . 2]" 1
724 1 71 LEU H 1 72 SER H . . 4.380 4.284 4.172 4.428 0.048 19 0 "[ . 1 . 2]" 1
725 1 71 LEU HA 1 71 LEU QD . . 3.590 2.632 1.968 3.380 . 0 0 "[ . 1 . 2]" 1
726 1 71 LEU HA 1 72 SER H . . 3.420 2.148 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
727 1 71 LEU QD 1 72 SER H . . 4.100 3.781 2.919 4.155 0.055 9 0 "[ . 1 . 2]" 1
728 1 72 SER H 1 72 SER HB2 . . 4.110 2.676 2.096 3.524 . 0 0 "[ . 1 . 2]" 1
729 1 72 SER H 1 72 SER QB . . 3.300 2.253 2.068 2.933 . 0 0 "[ . 1 . 2]" 1
730 1 72 SER H 1 72 SER HB3 . . 4.110 2.764 2.127 3.605 . 0 0 "[ . 1 . 2]" 1
731 1 72 SER H 1 73 THR H . . 4.290 2.513 2.459 2.648 . 0 0 "[ . 1 . 2]" 1
732 1 72 SER HB2 1 73 THR H . . 4.400 3.759 2.984 4.308 . 0 0 "[ . 1 . 2]" 1
733 1 72 SER HB3 1 73 THR H . . 4.400 3.241 2.508 4.328 . 0 0 "[ . 1 . 2]" 1
734 1 73 THR H 1 73 THR MG . . 4.230 3.975 3.784 4.024 . 0 0 "[ . 1 . 2]" 1
735 1 73 THR H 1 74 GLY H . . 4.640 4.327 4.241 4.507 . 0 0 "[ . 1 . 2]" 1
736 1 73 THR HA 1 73 THR MG . . 3.070 2.183 1.983 2.289 . 0 0 "[ . 1 . 2]" 1
737 1 73 THR HA 1 74 GLY H . . 3.560 2.263 2.181 2.481 . 0 0 "[ . 1 . 2]" 1
738 1 73 THR HA 1 74 GLY HA3 . . 4.610 4.451 4.424 4.573 . 0 0 "[ . 1 . 2]" 1
739 1 73 THR MG 1 74 GLY H . . 3.940 2.129 1.910 2.379 . 0 0 "[ . 1 . 2]" 1
740 1 73 THR MG 1 74 GLY HA2 . . 3.980 3.620 3.404 3.924 . 0 0 "[ . 1 . 2]" 1
741 1 73 THR MG 1 85 PRO HA . . 4.300 2.552 2.032 2.997 . 0 0 "[ . 1 . 2]" 1
742 1 73 THR MG 1 85 PRO HB2 . . 4.370 4.350 4.025 4.423 0.053 10 0 "[ . 1 . 2]" 1
743 1 74 GLY H 1 75 MET H . . 3.220 2.222 2.200 2.496 . 0 0 "[ . 1 . 2]" 1
744 1 74 GLY H 1 85 PRO HA . . 3.880 2.366 1.938 3.018 . 0 0 "[ . 1 . 2]" 1
745 1 74 GLY H 1 85 PRO HB2 . . 4.650 3.253 3.004 3.622 . 0 0 "[ . 1 . 2]" 1
746 1 74 GLY HA2 1 75 MET H . . 3.250 3.026 3.001 3.087 . 0 0 "[ . 1 . 2]" 1
747 1 74 GLY HA2 1 75 MET QB . . 5.330 4.882 4.807 5.137 . 0 0 "[ . 1 . 2]" 1
748 1 74 GLY HA2 1 85 PRO HA . . 4.100 3.845 3.543 4.144 0.044 8 0 "[ . 1 . 2]" 1
749 1 74 GLY HA2 1 85 PRO HB2 . . 3.960 3.025 2.724 3.550 . 0 0 "[ . 1 . 2]" 1
750 1 74 GLY HA2 1 85 PRO HB3 . . 4.120 4.009 3.792 4.161 0.041 9 0 "[ . 1 . 2]" 1
751 1 74 GLY HA2 1 86 ALA H . . 4.510 2.305 1.946 2.788 . 0 0 "[ . 1 . 2]" 1
752 1 74 GLY HA2 1 86 ALA HA . . 5.500 4.280 3.884 5.112 . 0 0 "[ . 1 . 2]" 1
753 1 74 GLY HA2 1 86 ALA MB . . 3.910 2.819 2.291 3.422 . 0 0 "[ . 1 . 2]" 1
754 1 74 GLY HA2 1 87 ARG QB . . 5.310 4.460 3.354 5.238 . 0 0 "[ . 1 . 2]" 1
755 1 74 GLY HA3 1 86 ALA MB . . 4.250 3.082 2.477 3.868 . 0 0 "[ . 1 . 2]" 1
756 1 75 MET H 1 76 PRO QD . . 4.150 3.446 3.382 3.540 . 0 0 "[ . 1 . 2]" 1
757 1 75 MET H 1 85 PRO HB2 . . 3.200 3.140 2.832 3.290 0.090 16 0 "[ . 1 . 2]" 1
758 1 76 PRO HA 1 77 ARG HA . . 4.480 4.397 4.392 4.403 . 0 0 "[ . 1 . 2]" 1
759 1 76 PRO HA 1 85 PRO HB2 . . 4.300 3.682 3.226 3.947 . 0 0 "[ . 1 . 2]" 1
760 1 76 PRO HA 1 87 ARG QG . . 3.930 3.965 3.942 3.988 0.058 7 0 "[ . 1 . 2]" 1
761 1 76 PRO QB 1 85 PRO QD . . 4.670 4.476 4.092 4.714 0.044 9 0 "[ . 1 . 2]" 1
762 1 76 PRO QD 1 77 ARG H . . 5.090 4.917 4.912 4.920 . 0 0 "[ . 1 . 2]" 1
763 1 76 PRO QD 1 85 PRO HB2 . . 3.630 3.087 2.837 3.372 . 0 0 "[ . 1 . 2]" 1
764 1 76 PRO QD 1 85 PRO HB3 . . 3.900 3.801 3.472 3.928 0.028 15 0 "[ . 1 . 2]" 1
765 1 76 PRO QD 1 86 ALA H . . 5.310 5.102 4.482 5.351 0.041 16 0 "[ . 1 . 2]" 1
766 1 76 PRO QD 1 87 ARG QB . . 4.330 3.793 2.842 4.181 . 0 0 "[ . 1 . 2]" 1
767 1 76 PRO QD 1 87 ARG QD . . 4.600 2.706 1.942 4.483 . 0 0 "[ . 1 . 2]" 1
768 1 76 PRO QD 1 87 ARG QG . . 3.770 2.241 2.025 2.461 . 0 0 "[ . 1 . 2]" 1
769 1 76 PRO QG 1 85 PRO HB3 . . 5.500 5.146 4.812 5.323 . 0 0 "[ . 1 . 2]" 1
770 1 77 ARG H 1 77 ARG QB . . 3.840 2.555 2.398 2.684 . 0 0 "[ . 1 . 2]" 1
771 1 77 ARG HA 1 78 ARG H . . 2.650 2.532 2.277 2.576 . 0 0 "[ . 1 . 2]" 1
772 1 78 ARG H 1 78 ARG QG . . 3.310 2.075 1.889 2.543 . 0 0 "[ . 1 . 2]" 1
773 1 78 ARG HA 1 78 ARG QD . . 4.650 4.049 3.686 4.540 . 0 0 "[ . 1 . 2]" 1
774 1 78 ARG HA 1 78 ARG HE . . 4.910 4.762 4.436 4.922 0.012 17 0 "[ . 1 . 2]" 1
775 1 78 ARG QD 1 79 SER H . . 4.220 3.532 2.456 3.984 . 0 0 "[ . 1 . 2]" 1
776 1 78 ARG QD 1 79 SER QB . . 4.660 3.980 2.018 4.651 . 0 0 "[ . 1 . 2]" 1
777 1 78 ARG QG 1 79 SER H . . 3.390 2.366 1.887 2.755 . 0 0 "[ . 1 . 2]" 1
778 1 79 SER H 1 79 SER QB . . 3.810 2.488 2.086 3.115 . 0 0 "[ . 1 . 2]" 1
779 1 79 SER HA 1 80 ARG H . . 3.170 2.532 2.140 2.711 . 0 0 "[ . 1 . 2]" 1
780 1 79 SER HA 1 81 PHE H . . 4.150 3.849 2.981 4.433 0.283 9 0 "[ . 1 . 2]" 1
781 1 79 SER QB 1 80 ARG H . . 3.760 2.491 1.927 3.661 . 0 0 "[ . 1 . 2]" 1
782 1 79 SER QB 1 81 PHE H . . 3.970 3.557 2.872 4.067 0.097 13 0 "[ . 1 . 2]" 1
783 1 80 ARG H 1 80 ARG QG . . 3.610 2.626 2.162 3.012 . 0 0 "[ . 1 . 2]" 1
784 1 80 ARG H 1 81 PHE H . . 3.570 3.111 2.615 3.494 . 0 0 "[ . 1 . 2]" 1
785 1 80 ARG H 1 81 PHE QD . . 5.500 4.874 3.878 5.155 . 0 0 "[ . 1 . 2]" 1
786 1 80 ARG HA 1 80 ARG QD . . 4.110 3.614 2.194 4.095 . 0 0 "[ . 1 . 2]" 1
787 1 80 ARG HA 1 80 ARG QG . . 3.590 2.450 2.218 3.050 . 0 0 "[ . 1 . 2]" 1
788 1 80 ARG HA 1 81 PHE H . . 3.220 2.819 2.583 3.111 . 0 0 "[ . 1 . 2]" 1
789 1 80 ARG HA 1 81 PHE HA . . 4.680 4.572 4.428 4.669 . 0 0 "[ . 1 . 2]" 1
790 1 80 ARG HA 1 81 PHE QB . . 5.320 4.824 4.389 5.095 . 0 0 "[ . 1 . 2]" 1
791 1 80 ARG QB 1 80 ARG QD . . 3.330 2.094 1.952 2.354 . 0 0 "[ . 1 . 2]" 1
792 1 80 ARG QB 1 81 PHE HA . . 4.600 4.412 4.258 4.508 . 0 0 "[ . 1 . 2]" 1
793 1 80 ARG QG 1 81 PHE H . . 4.540 4.455 4.298 4.542 0.002 13 0 "[ . 1 . 2]" 1
794 1 81 PHE H 1 81 PHE HB2 . . 3.790 2.800 2.068 3.789 . 0 0 "[ . 1 . 2]" 1
795 1 81 PHE H 1 81 PHE QB . . 3.000 2.436 2.047 2.785 . 0 0 "[ . 1 . 2]" 1
796 1 81 PHE H 1 81 PHE HB3 . . 3.790 3.272 2.416 3.738 . 0 0 "[ . 1 . 2]" 1
797 1 81 PHE H 1 81 PHE QD . . 3.630 3.011 2.217 3.664 0.034 7 0 "[ . 1 . 2]" 1
798 1 81 PHE HA 1 81 PHE QD . . 3.610 2.977 2.025 3.724 0.114 20 0 "[ . 1 . 2]" 1
799 1 81 PHE HA 1 82 ASP H . . 2.400 2.161 2.138 2.380 . 0 0 "[ . 1 . 2]" 1
800 1 81 PHE QB 1 82 ASP H . . 3.430 3.293 2.800 3.448 0.018 1 0 "[ . 1 . 2]" 1
801 1 81 PHE QD 1 82 ASP H . . 3.840 3.793 3.273 3.882 0.042 2 0 "[ . 1 . 2]" 1
802 1 82 ASP H 1 82 ASP QB . . 2.690 2.233 2.048 2.693 0.003 17 0 "[ . 1 . 2]" 1
803 1 83 ARG HA 1 83 ARG QD . . 4.010 3.287 2.213 3.994 . 0 0 "[ . 1 . 2]" 1
804 1 85 PRO HA 1 86 ALA H . . 2.480 2.256 2.202 2.292 . 0 0 "[ . 1 . 2]" 1
805 1 85 PRO HA 1 86 ALA MB . . 4.080 4.000 3.960 4.027 . 0 0 "[ . 1 . 2]" 1
806 1 85 PRO HB2 1 86 ALA H . . 3.220 3.033 2.911 3.227 0.007 15 0 "[ . 1 . 2]" 1
807 1 85 PRO HB2 1 86 ALA HA . . 4.910 4.663 4.512 4.806 . 0 0 "[ . 1 . 2]" 1
808 1 85 PRO HB2 1 86 ALA MB . . 4.830 4.544 4.407 4.747 . 0 0 "[ . 1 . 2]" 1
809 1 85 PRO HB3 1 86 ALA H . . 3.760 3.686 3.614 3.803 0.043 15 0 "[ . 1 . 2]" 1
810 1 86 ALA H 1 86 ALA MB . . 2.610 2.202 2.102 2.299 . 0 0 "[ . 1 . 2]" 1
811 1 86 ALA H 1 87 ARG QG . . 4.280 3.651 3.397 4.159 . 0 0 "[ . 1 . 2]" 1
812 1 86 ALA HA 1 87 ARG H . . 3.230 2.460 2.172 2.704 . 0 0 "[ . 1 . 2]" 1
813 1 86 ALA MB 1 87 ARG H . . 3.780 3.657 3.445 3.721 . 0 0 "[ . 1 . 2]" 1
814 1 86 ALA MB 1 87 ARG QB . . 5.320 4.940 4.013 5.182 . 0 0 "[ . 1 . 2]" 1
815 1 86 ALA MB 1 87 ARG QD . . 4.450 4.306 2.951 4.628 0.178 10 0 "[ . 1 . 2]" 1
816 1 87 ARG H 1 87 ARG QB . . 3.330 2.769 2.361 3.422 0.092 9 0 "[ . 1 . 2]" 1
817 1 87 ARG H 1 87 ARG QD . . 4.830 3.440 1.916 4.190 . 0 0 "[ . 1 . 2]" 1
818 1 87 ARG H 1 87 ARG QG . . 3.110 2.720 2.411 3.116 0.006 2 0 "[ . 1 . 2]" 1
819 1 87 ARG HA 1 87 ARG QD . . 4.210 2.561 1.973 3.751 . 0 0 "[ . 1 . 2]" 1
820 1 87 ARG QB 1 87 ARG QD . . 3.210 2.435 1.973 2.786 . 0 0 "[ . 1 . 2]" 1
821 1 87 ARG QD 1 88 ARG H . . 4.970 4.429 2.903 5.001 0.031 18 0 "[ . 1 . 2]" 1
822 1 88 ARG H 1 88 ARG QB . . 3.230 2.838 2.172 3.232 0.002 5 0 "[ . 1 . 2]" 1
823 1 88 ARG H 1 88 ARG QD . . 4.500 4.051 2.442 4.413 . 0 0 "[ . 1 . 2]" 1
824 1 88 ARG H 1 88 ARG QG . . 2.840 2.649 1.968 2.841 0.001 11 0 "[ . 1 . 2]" 1
825 1 88 ARG HA 1 88 ARG QD . . 4.540 3.529 2.284 4.487 . 0 0 "[ . 1 . 2]" 1
826 1 88 ARG HA 1 88 ARG QG . . 3.620 2.610 2.122 3.366 . 0 0 "[ . 1 . 2]" 1
827 1 88 ARG QB 1 88 ARG QD . . 3.340 2.133 1.966 2.457 . 0 0 "[ . 1 . 2]" 1
828 1 89 LYS HA 1 90 LEU H . . 3.410 2.776 2.373 3.556 0.146 1 0 "[ . 1 . 2]" 1
829 1 89 LYS QB 1 90 LEU H . . 3.250 2.483 1.932 3.280 0.030 17 0 "[ . 1 . 2]" 1
830 1 89 LYS QB 1 91 LEU H . . 4.680 3.970 2.358 4.677 . 0 0 "[ . 1 . 2]" 1
831 1 89 LYS QE 1 90 LEU H . . 4.250 3.882 3.344 4.266 0.016 15 0 "[ . 1 . 2]" 1
832 1 89 LYS QG 1 90 LEU QB . . 4.290 4.059 3.237 4.297 0.007 15 0 "[ . 1 . 2]" 1
833 1 89 LYS QG 1 91 LEU H . . 4.080 3.340 2.021 4.078 . 0 0 "[ . 1 . 2]" 1
834 1 90 LEU H 1 90 LEU QB . . 3.420 2.763 2.208 3.039 . 0 0 "[ . 1 . 2]" 1
835 1 90 LEU H 1 90 LEU QD . . 4.900 3.666 2.121 4.131 . 0 0 "[ . 1 . 2]" 1
836 1 90 LEU H 1 91 LEU H . . 3.660 2.948 1.914 3.642 . 0 0 "[ . 1 . 2]" 1
837 1 90 LEU H 1 91 LEU QD . . 5.500 4.737 2.564 5.463 . 0 0 "[ . 1 . 2]" 1
838 1 90 LEU HA 1 90 LEU HG . . 3.710 2.632 2.141 3.688 . 0 0 "[ . 1 . 2]" 1
839 1 90 LEU HA 1 91 LEU H . . 3.290 2.703 2.199 3.554 0.264 20 0 "[ . 1 . 2]" 1
840 1 90 LEU QB 1 91 LEU H . . 4.930 3.593 2.023 4.008 . 0 0 "[ . 1 . 2]" 1
841 1 91 LEU H 1 91 LEU QB . . 3.190 2.797 2.451 3.048 . 0 0 "[ . 1 . 2]" 1
842 1 91 LEU H 1 91 LEU QD . . 4.540 3.665 2.114 4.180 . 0 0 "[ . 1 . 2]" 1
843 1 91 LEU H 1 93 VAL QG . . 4.840 4.202 3.603 4.845 0.005 12 0 "[ . 1 . 2]" 1
844 1 91 LEU HA 1 91 LEU QB . . 2.660 2.467 2.289 2.531 . 0 0 "[ . 1 . 2]" 1
845 1 91 LEU HA 1 91 LEU QD . . 3.210 2.371 1.865 3.018 . 0 0 "[ . 1 . 2]" 1
846 1 91 LEU HA 1 91 LEU HG . . 4.040 3.076 2.166 3.698 . 0 0 "[ . 1 . 2]" 1
847 1 91 LEU QB 1 92 GLU H . . 3.190 2.695 2.176 3.331 0.141 20 0 "[ . 1 . 2]" 1
848 1 91 LEU QB 1 92 GLU QB . . 3.960 3.828 3.266 4.157 0.197 8 0 "[ . 1 . 2]" 1
849 1 91 LEU QD 1 92 GLU H . . 4.130 3.712 3.241 4.133 0.003 8 0 "[ . 1 . 2]" 1
850 1 91 LEU QD 1 92 GLU QB . . 4.710 4.376 3.704 4.737 0.027 16 0 "[ . 1 . 2]" 1
851 1 91 LEU QD 1 92 GLU QG . . 5.060 4.720 3.923 5.081 0.021 18 0 "[ . 1 . 2]" 1
852 1 92 GLU H 1 92 GLU QB . . 3.000 2.316 2.052 2.791 . 0 0 "[ . 1 . 2]" 1
853 1 92 GLU H 1 92 GLU QG . . 4.040 3.499 1.917 4.036 . 0 0 "[ . 1 . 2]" 1
854 1 92 GLU H 1 93 VAL H . . 3.050 2.437 2.153 2.640 . 0 0 "[ . 1 . 2]" 1
855 1 92 GLU H 1 93 VAL QG . . 4.380 3.827 3.590 4.073 . 0 0 "[ . 1 . 2]" 1
856 1 92 GLU HA 1 92 GLU QG . . 3.580 2.480 2.107 3.338 . 0 0 "[ . 1 . 2]" 1
857 1 92 GLU HA 1 93 VAL H . . 3.540 3.484 3.459 3.529 . 0 0 "[ . 1 . 2]" 1
858 1 92 GLU QB 1 93 VAL HA . . 4.230 4.137 3.953 4.340 0.110 8 0 "[ . 1 . 2]" 1
859 1 92 GLU QG 1 93 VAL QG . . 4.320 3.537 1.877 4.321 0.001 7 0 "[ . 1 . 2]" 1
860 1 93 VAL H 1 93 VAL HB . . 2.990 2.637 2.628 2.687 . 0 0 "[ . 1 . 2]" 1
861 1 93 VAL H 1 93 VAL QG . . 3.090 2.366 2.221 2.473 . 0 0 "[ . 1 . 2]" 1
862 1 93 VAL HA 1 93 VAL QG . . 3.230 2.052 2.031 2.083 . 0 0 "[ . 1 . 2]" 1
863 1 93 VAL HA 1 94 LEU H . . 2.810 2.284 2.282 2.301 . 0 0 "[ . 1 . 2]" 1
864 1 93 VAL HA 1 94 LEU QB . . 4.610 3.948 3.853 4.146 . 0 0 "[ . 1 . 2]" 1
865 1 93 VAL HB 1 94 LEU H . . 3.700 3.702 3.634 3.707 0.007 5 0 "[ . 1 . 2]" 1
866 1 93 VAL HB 1 94 LEU HA . . 4.400 4.396 4.388 4.420 0.020 6 0 "[ . 1 . 2]" 1
867 1 93 VAL QG 1 94 LEU H . . 3.270 2.037 1.929 2.101 . 0 0 "[ . 1 . 2]" 1
868 1 93 VAL QG 1 94 LEU HA . . 3.920 3.364 3.224 3.534 . 0 0 "[ . 1 . 2]" 1
869 1 93 VAL QG 1 94 LEU QB . . 4.650 4.009 3.904 4.146 . 0 0 "[ . 1 . 2]" 1
870 1 94 LEU H 1 94 LEU HB2 . . 4.090 3.470 2.679 4.063 . 0 0 "[ . 1 . 2]" 1
871 1 94 LEU H 1 94 LEU QB . . 3.230 2.948 2.592 3.228 . 0 0 "[ . 1 . 2]" 1
872 1 94 LEU H 1 94 LEU HB3 . . 4.090 3.283 2.981 3.633 . 0 0 "[ . 1 . 2]" 1
873 1 94 LEU HA 1 94 LEU QD . . 3.460 2.590 1.871 3.411 . 0 0 "[ . 1 . 2]" 1
874 1 94 LEU HA 1 95 PHE H . . 2.730 2.311 2.164 2.505 . 0 0 "[ . 1 . 2]" 1
875 1 94 LEU QB 1 95 PHE H . . 3.720 3.090 2.355 3.634 . 0 0 "[ . 1 . 2]" 1
876 1 94 LEU HB2 1 95 PHE H . . 4.390 3.636 2.377 4.387 . 0 0 "[ . 1 . 2]" 1
877 1 94 LEU HB3 1 95 PHE H . . 4.390 3.698 2.534 4.190 . 0 0 "[ . 1 . 2]" 1
878 1 94 LEU QD 1 95 PHE H . . 3.650 2.277 1.858 3.257 . 0 0 "[ . 1 . 2]" 1
879 1 94 LEU QD 1 96 ASN H . . 3.600 3.213 2.643 4.021 0.421 13 0 "[ . 1 . 2]" 1
880 1 94 LEU QD 1 96 ASN HD21 . . 4.310 2.645 1.874 4.231 . 0 0 "[ . 1 . 2]" 1
881 1 94 LEU QD 1 96 ASN QD . . 3.690 2.296 1.861 3.795 0.105 13 0 "[ . 1 . 2]" 1
882 1 94 LEU QD 1 96 ASN HD22 . . 4.310 2.865 1.877 4.289 . 0 0 "[ . 1 . 2]" 1
883 1 94 LEU QD 1 97 GLY H . . 4.970 4.756 4.208 4.982 0.012 6 0 "[ . 1 . 2]" 1
884 1 94 LEU HG 1 95 PHE H . . 4.540 3.798 1.966 4.542 0.002 3 0 "[ . 1 . 2]" 1
885 1 95 PHE H 1 95 PHE QB . . 3.040 2.746 2.298 3.038 . 0 0 "[ . 1 . 2]" 1
886 1 95 PHE H 1 96 ASN QD . . 4.090 3.538 2.348 4.471 0.381 13 0 "[ . 1 . 2]" 1
887 1 95 PHE HA 1 96 ASN H . . 3.330 2.262 2.139 2.761 . 0 0 "[ . 1 . 2]" 1
888 1 95 PHE HA 1 96 ASN HA . . 4.510 4.388 4.301 4.550 0.040 13 0 "[ . 1 . 2]" 1
889 1 95 PHE HA 1 97 GLY H . . 4.350 3.674 3.241 4.347 . 0 0 "[ . 1 . 2]" 1
890 1 95 PHE QB 1 96 ASN H . . 3.930 3.552 2.021 3.930 . 0 0 "[ . 1 . 2]" 1
891 1 96 ASN H 1 96 ASN QD . . 4.050 3.185 1.915 4.051 0.001 16 0 "[ . 1 . 2]" 1
892 1 96 ASN H 1 97 GLY H . . 3.260 2.264 1.901 2.733 . 0 0 "[ . 1 . 2]" 1
893 1 96 ASN H 1 98 PRO QG . . 4.450 4.370 4.189 4.451 0.001 19 0 "[ . 1 . 2]" 1
894 1 96 ASN HA 1 97 GLY H . . 3.010 2.911 2.606 3.021 0.011 6 0 "[ . 1 . 2]" 1
895 1 96 ASN QB 1 96 ASN QD . . 3.100 2.214 2.064 2.485 . 0 0 "[ . 1 . 2]" 1
896 1 97 GLY H 1 97 GLY QA . . 2.480 2.231 2.202 2.463 . 0 0 "[ . 1 . 2]" 1
897 1 97 GLY H 1 98 PRO QD . . 3.550 2.237 2.005 2.328 . 0 0 "[ . 1 . 2]" 1
898 1 97 GLY H 1 98 PRO QG . . 4.300 4.208 3.643 4.302 0.002 19 0 "[ . 1 . 2]" 1
899 1 97 GLY QA 1 98 PRO QD . . 2.830 2.091 2.053 2.187 . 0 0 "[ . 1 . 2]" 1
900 1 97 GLY QA 1 98 PRO QG . . 4.030 3.855 3.825 3.983 . 0 0 "[ . 1 . 2]" 1
901 1 98 PRO QB 1 99 LEU H . . 3.620 3.307 3.150 3.455 . 0 0 "[ . 1 . 2]" 1
902 1 99 LEU H 1 99 LEU QB . . 3.450 2.285 2.063 2.818 . 0 0 "[ . 1 . 2]" 1
903 1 99 LEU HA 1 100 GLU H . . 2.880 2.237 2.141 2.429 . 0 0 "[ . 1 . 2]" 1
904 1 100 GLU H 1 100 GLU QB . . 2.720 2.617 2.047 2.717 . 0 0 "[ . 1 . 2]" 1
905 1 100 GLU H 1 100 GLU QG . . 3.230 2.221 1.943 3.373 0.143 17 0 "[ . 1 . 2]" 1
906 1 100 GLU H 1 101 HIS H . . 4.050 2.499 2.449 2.701 . 0 0 "[ . 1 . 2]" 1
907 1 100 GLU HA 1 100 GLU QG . . 3.740 3.308 2.601 3.405 . 0 0 "[ . 1 . 2]" 1
908 1 100 GLU HA 1 101 HIS H . . 3.310 3.196 3.175 3.552 0.242 17 0 "[ . 1 . 2]" 1
909 1 100 GLU HA 1 101 HIS QB . . 3.720 3.820 3.751 4.154 0.434 17 0 "[ . 1 . 2]" 1
910 1 100 GLU QB 1 101 HIS H . . 4.160 3.861 2.585 3.931 . 0 0 "[ . 1 . 2]" 1
911 1 100 GLU QG 1 101 HIS QB . . 4.540 4.361 4.223 4.719 0.179 17 0 "[ . 1 . 2]" 1
912 1 101 HIS H 1 101 HIS QB . . 3.470 3.009 2.954 3.105 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 13, 2024 3:51:08 PM GMT (wattos1)