NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445673 |
2kkc   |
16361 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kkc
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 2038
_Distance_constraint_stats_list.Viol_count 1657
_Distance_constraint_stats_list.Viol_total 472.148
_Distance_constraint_stats_list.Viol_max 0.291
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 4 MET 0.099 0.037 20 0 "[ . 1 . 2]"
1 5 SER 0.245 0.034 19 0 "[ . 1 . 2]"
1 6 LEU 0.527 0.070 19 0 "[ . 1 . 2]"
1 7 THR 0.341 0.032 19 0 "[ . 1 . 2]"
1 8 VAL 0.256 0.027 20 0 "[ . 1 . 2]"
1 9 LYS 0.086 0.021 20 0 "[ . 1 . 2]"
1 10 ALA 0.043 0.012 10 0 "[ . 1 . 2]"
1 11 TYR 0.114 0.014 11 0 "[ . 1 . 2]"
1 12 LEU 0.346 0.042 13 0 "[ . 1 . 2]"
1 13 LEU 0.525 0.042 13 0 "[ . 1 . 2]"
1 14 GLY 0.056 0.021 12 0 "[ . 1 . 2]"
1 15 LYS 0.241 0.062 10 0 "[ . 1 . 2]"
1 16 GLU 0.442 0.062 10 0 "[ . 1 . 2]"
1 17 GLU 0.244 0.054 19 0 "[ . 1 . 2]"
1 18 ALA 0.011 0.005 13 0 "[ . 1 . 2]"
1 19 ALA 0.027 0.009 10 0 "[ . 1 . 2]"
1 20 ARG 0.050 0.007 16 0 "[ . 1 . 2]"
1 21 GLU 0.100 0.021 8 0 "[ . 1 . 2]"
1 22 ILE 0.006 0.002 15 0 "[ . 1 . 2]"
1 23 ARG 0.007 0.005 19 0 "[ . 1 . 2]"
1 24 ARG 0.080 0.010 16 0 "[ . 1 . 2]"
1 25 PHE 0.235 0.027 20 0 "[ . 1 . 2]"
1 26 SER 0.076 0.014 19 0 "[ . 1 . 2]"
1 27 PHE 0.302 0.070 19 0 "[ . 1 . 2]"
1 28 CYS 0.202 0.063 19 0 "[ . 1 . 2]"
1 29 PHE 0.305 0.037 20 0 "[ . 1 . 2]"
1 30 SER 0.403 0.050 20 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLU 0.654 0.050 20 0 "[ . 1 . 2]"
1 33 PRO 0.069 0.038 7 0 "[ . 1 . 2]"
1 34 GLU 0.731 0.172 7 0 "[ . 1 . 2]"
1 35 ALA 0.093 0.047 19 0 "[ . 1 . 2]"
1 36 GLU 0.337 0.073 10 0 "[ . 1 . 2]"
1 37 ALA 0.150 0.046 16 0 "[ . 1 . 2]"
1 38 ALA 1.377 0.291 20 0 "[ . 1 . 2]"
1 39 ALA 0.719 0.291 20 0 "[ . 1 . 2]"
1 40 GLY 1.128 0.253 16 0 "[ . 1 . 2]"
1 41 PRO 0.173 0.054 7 0 "[ . 1 . 2]"
1 42 GLY 0.037 0.016 10 0 "[ . 1 . 2]"
1 43 PRO 0.070 0.020 8 0 "[ . 1 . 2]"
1 44 CYS 1.001 0.200 17 0 "[ . 1 . 2]"
1 45 GLU 0.763 0.200 17 0 "[ . 1 . 2]"
1 46 ARG 0.220 0.069 18 0 "[ . 1 . 2]"
1 47 LEU 0.866 0.051 18 0 "[ . 1 . 2]"
1 48 LEU 1.462 0.059 14 0 "[ . 1 . 2]"
1 49 SER 2.007 0.063 11 0 "[ . 1 . 2]"
1 50 ARG 2.098 0.062 5 0 "[ . 1 . 2]"
1 51 VAL 0.561 0.023 4 0 "[ . 1 . 2]"
1 52 ALA 0.246 0.020 12 0 "[ . 1 . 2]"
1 53 VAL 2.702 0.063 11 0 "[ . 1 . 2]"
1 54 LEU 2.069 0.062 5 0 "[ . 1 . 2]"
1 55 PHE 0.119 0.016 19 0 "[ . 1 . 2]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 2.069 0.177 15 0 "[ . 1 . 2]"
1 59 ARG 0.715 0.039 12 0 "[ . 1 . 2]"
1 60 PRO 0.332 0.027 1 0 "[ . 1 . 2]"
1 61 GLY 0.007 0.005 6 0 "[ . 1 . 2]"
1 62 GLY 0.567 0.052 15 0 "[ . 1 . 2]"
1 63 PHE 1.125 0.067 11 0 "[ . 1 . 2]"
1 64 GLN 0.199 0.018 15 0 "[ . 1 . 2]"
1 65 ALA 0.230 0.020 14 0 "[ . 1 . 2]"
1 66 HIS 0.114 0.016 12 0 "[ . 1 . 2]"
1 67 TYR 0.246 0.016 14 0 "[ . 1 . 2]"
1 68 ARG 0.216 0.030 8 0 "[ . 1 . 2]"
1 69 ALA 0.123 0.013 4 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.104 0.030 8 0 "[ . 1 . 2]"
1 73 ASP 0.267 0.078 8 0 "[ . 1 . 2]"
1 74 LEU 0.483 0.078 8 0 "[ . 1 . 2]"
1 75 VAL 0.236 0.017 18 0 "[ . 1 . 2]"
1 76 ALA 0.175 0.018 4 0 "[ . 1 . 2]"
1 77 PHE 0.265 0.017 18 0 "[ . 1 . 2]"
1 78 SER 0.219 0.020 8 0 "[ . 1 . 2]"
1 79 SER 0.314 0.036 12 0 "[ . 1 . 2]"
1 80 ASP 0.110 0.028 9 0 "[ . 1 . 2]"
1 81 GLU 0.523 0.062 13 0 "[ . 1 . 2]"
1 82 GLU 0.249 0.026 10 0 "[ . 1 . 2]"
1 83 LEU 1.067 0.071 13 0 "[ . 1 . 2]"
1 84 THR 2.057 0.084 20 0 "[ . 1 . 2]"
1 85 MET 1.518 0.084 20 0 "[ . 1 . 2]"
1 86 ALA 0.225 0.025 13 0 "[ . 1 . 2]"
1 87 MET 0.079 0.014 13 0 "[ . 1 . 2]"
1 88 SER 0.164 0.021 14 0 "[ . 1 . 2]"
1 89 TYR 0.282 0.021 14 0 "[ . 1 . 2]"
1 90 VAL 0.394 0.035 7 0 "[ . 1 . 2]"
1 91 LYS 0.194 0.074 12 0 "[ . 1 . 2]"
1 92 ASP 0.020 0.020 13 0 "[ . 1 . 2]"
1 93 ASP 0.327 0.035 7 0 "[ . 1 . 2]"
1 94 ILE 0.094 0.020 13 0 "[ . 1 . 2]"
1 95 PHE 0.222 0.018 10 0 "[ . 1 . 2]"
1 96 ARG 0.274 0.070 5 0 "[ . 1 . 2]"
1 97 ILE 0.187 0.069 5 0 "[ . 1 . 2]"
1 98 TYR 0.368 0.019 5 0 "[ . 1 . 2]"
1 99 ILE 0.636 0.042 11 0 "[ . 1 . 2]"
1 100 LYS 1.051 0.056 15 0 "[ . 1 . 2]"
1 101 GLU 1.403 0.177 15 0 "[ . 1 . 2]"
1 102 LYS 0.464 0.063 15 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 4 MET H 1 4 MET ME . . 4.860 4.389 3.413 4.864 0.004 18 0 "[ . 1 . 2]" 1
2 1 4 MET H 1 4 MET HG2 . . 4.670 3.670 2.421 4.680 0.010 20 0 "[ . 1 . 2]" 1
3 1 4 MET H 1 4 MET HG3 . . 4.670 3.331 2.240 4.647 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET H 1 29 PHE QB . . 4.560 3.172 2.027 4.597 0.037 20 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 4 MET ME . . 4.450 4.159 3.406 4.408 . 0 0 "[ . 1 . 2]" 1
6 1 4 MET HA 1 4 MET HG2 . . 3.820 2.781 2.359 3.648 . 0 0 "[ . 1 . 2]" 1
7 1 4 MET HA 1 4 MET HG3 . . 3.820 3.071 2.332 3.803 . 0 0 "[ . 1 . 2]" 1
8 1 4 MET HA 1 5 SER H . . 3.300 2.406 2.143 2.664 . 0 0 "[ . 1 . 2]" 1
9 1 4 MET HA 1 5 SER HA . . 4.780 4.436 4.371 4.484 . 0 0 "[ . 1 . 2]" 1
10 1 4 MET HA 1 6 LEU QD . . 5.410 5.090 4.463 5.402 . 0 0 "[ . 1 . 2]" 1
11 1 4 MET QB 1 4 MET ME . . 2.680 2.038 1.952 2.125 . 0 0 "[ . 1 . 2]" 1
12 1 4 MET QB 1 5 SER H . . 3.860 2.606 1.946 3.524 . 0 0 "[ . 1 . 2]" 1
13 1 4 MET QB 1 6 LEU QD . . 4.450 3.266 2.924 3.594 . 0 0 "[ . 1 . 2]" 1
14 1 4 MET QB 1 29 PHE H . . 4.660 4.163 3.568 4.662 0.002 6 0 "[ . 1 . 2]" 1
15 1 4 MET QB 1 29 PHE QB . . 4.930 2.667 1.911 4.378 . 0 0 "[ . 1 . 2]" 1
16 1 4 MET QB 1 29 PHE QD . . 4.880 3.146 2.407 4.766 . 0 0 "[ . 1 . 2]" 1
17 1 4 MET HB2 1 5 SER H . . 4.630 3.669 2.861 4.520 . 0 0 "[ . 1 . 2]" 1
18 1 4 MET HB3 1 5 SER H . . 4.630 2.726 1.963 3.831 . 0 0 "[ . 1 . 2]" 1
19 1 4 MET ME 1 4 MET QG . . 3.570 2.422 2.327 2.531 . 0 0 "[ . 1 . 2]" 1
20 1 4 MET ME 1 5 SER H . . 4.570 4.090 2.746 4.567 . 0 0 "[ . 1 . 2]" 1
21 1 4 MET ME 1 6 LEU MD1 . . 4.320 3.974 3.067 4.326 0.006 8 0 "[ . 1 . 2]" 1
22 1 4 MET ME 1 6 LEU QD . . 3.770 2.869 2.093 3.540 . 0 0 "[ . 1 . 2]" 1
23 1 4 MET ME 1 6 LEU MD2 . . 4.320 2.978 2.128 3.765 . 0 0 "[ . 1 . 2]" 1
24 1 4 MET ME 1 29 PHE QB . . 5.340 3.585 2.541 4.788 . 0 0 "[ . 1 . 2]" 1
25 1 4 MET ME 1 29 PHE QD . . 4.370 3.207 2.561 4.053 . 0 0 "[ . 1 . 2]" 1
26 1 4 MET ME 1 29 PHE QE . . 4.890 3.573 2.528 4.776 . 0 0 "[ . 1 . 2]" 1
27 1 4 MET QG 1 5 SER H . . 4.460 3.627 1.892 4.421 . 0 0 "[ . 1 . 2]" 1
28 1 4 MET QG 1 6 LEU QD . . 4.850 4.462 2.906 4.854 0.004 5 0 "[ . 1 . 2]" 1
29 1 5 SER H 1 6 LEU H . . 4.690 4.460 4.406 4.520 . 0 0 "[ . 1 . 2]" 1
30 1 5 SER H 1 6 LEU QD . . 4.510 3.878 3.257 4.515 0.005 19 0 "[ . 1 . 2]" 1
31 1 5 SER H 1 6 LEU HG . . 4.920 4.386 3.930 4.902 . 0 0 "[ . 1 . 2]" 1
32 1 5 SER HA 1 6 LEU H . . 3.040 2.304 2.187 2.349 . 0 0 "[ . 1 . 2]" 1
33 1 5 SER HA 1 6 LEU QB . . 5.500 4.466 4.316 4.557 . 0 0 "[ . 1 . 2]" 1
34 1 5 SER HA 1 6 LEU QD . . 4.620 3.630 2.619 4.135 . 0 0 "[ . 1 . 2]" 1
35 1 5 SER HA 1 6 LEU HG . . 4.140 3.449 3.174 4.087 . 0 0 "[ . 1 . 2]" 1
36 1 5 SER HA 1 27 PHE H . . 4.740 4.521 3.747 4.741 0.001 15 0 "[ . 1 . 2]" 1
37 1 5 SER HA 1 27 PHE HB3 . . 5.210 5.041 4.778 5.244 0.034 19 0 "[ . 1 . 2]" 1
38 1 5 SER HA 1 28 CYS HA . . 3.540 2.709 2.537 3.109 . 0 0 "[ . 1 . 2]" 1
39 1 5 SER HA 1 28 CYS HB2 . . 5.500 5.418 4.693 5.533 0.033 7 0 "[ . 1 . 2]" 1
40 1 5 SER HA 1 28 CYS HB3 . . 5.500 5.229 4.730 5.505 0.005 2 0 "[ . 1 . 2]" 1
41 1 5 SER QB 1 6 LEU H . . 2.970 2.683 2.527 2.997 0.027 20 0 "[ . 1 . 2]" 1
42 1 5 SER QB 1 6 LEU QB . . 5.340 4.949 4.773 5.096 . 0 0 "[ . 1 . 2]" 1
43 1 5 SER QB 1 6 LEU HG . . 5.340 4.695 4.517 5.050 . 0 0 "[ . 1 . 2]" 1
44 1 5 SER QB 1 26 SER QB . . 3.360 2.880 2.220 3.359 . 0 0 "[ . 1 . 2]" 1
45 1 5 SER QB 1 27 PHE H . . 4.980 3.588 3.185 3.900 . 0 0 "[ . 1 . 2]" 1
46 1 5 SER QB 1 27 PHE HA . . 5.340 4.850 4.383 5.346 0.006 20 0 "[ . 1 . 2]" 1
47 1 5 SER QB 1 28 CYS HA . . 4.650 3.585 2.967 4.608 . 0 0 "[ . 1 . 2]" 1
48 1 5 SER HB2 1 28 CYS HA . . 5.500 4.302 3.345 5.412 . 0 0 "[ . 1 . 2]" 1
49 1 5 SER HB3 1 28 CYS HA . . 5.500 3.902 3.119 5.014 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU H 1 6 LEU QD . . 3.650 3.241 2.328 3.645 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU H 1 6 LEU HG . . 4.040 2.973 2.668 3.455 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU H 1 7 THR H . . 4.610 4.262 4.012 4.411 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU H 1 7 THR HA . . 4.990 4.738 4.508 4.866 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU H 1 7 THR MG . . 5.500 5.434 5.193 5.532 0.032 19 0 "[ . 1 . 2]" 1
55 1 6 LEU H 1 26 SER HA . . 4.570 4.232 3.609 4.440 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU H 1 27 PHE H . . 3.320 2.741 2.167 2.937 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU H 1 27 PHE HB3 . . 4.360 3.320 2.943 3.600 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU H 1 27 PHE QD . . 4.540 4.360 4.112 4.610 0.070 19 0 "[ . 1 . 2]" 1
59 1 6 LEU H 1 28 CYS HA . . 4.170 3.911 3.755 4.137 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU H 1 29 PHE QD . . 5.500 5.369 5.078 5.520 0.020 20 0 "[ . 1 . 2]" 1
61 1 6 LEU HA 1 6 LEU QD . . 3.730 2.418 2.036 3.221 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU HA 1 7 THR H . . 3.170 2.178 2.139 2.291 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU HA 1 7 THR HA . . 4.530 4.359 4.335 4.399 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU HA 1 93 ASP QB . . 3.740 2.992 2.057 3.741 0.001 17 0 "[ . 1 . 2]" 1
65 1 6 LEU QB 1 6 LEU MD1 . . 3.210 2.056 1.963 2.123 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QB 1 6 LEU MD2 . . 3.210 2.182 1.945 2.307 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU QB 1 7 THR H . . 3.970 3.071 2.668 3.377 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU QB 1 8 VAL H . . 5.500 5.208 4.909 5.408 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QB 1 8 VAL QG . . 4.850 4.035 3.377 4.845 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU QB 1 26 SER HA . . 5.500 5.455 4.986 5.514 0.014 7 0 "[ . 1 . 2]" 1
71 1 6 LEU QB 1 27 PHE H . . 4.490 4.072 3.620 4.322 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU QB 1 29 PHE QD . . 5.040 4.398 4.076 5.060 0.020 19 0 "[ . 1 . 2]" 1
73 1 6 LEU QB 1 93 ASP HA . . 4.970 3.323 2.655 3.899 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU QB 1 93 ASP HB2 . . 5.480 3.656 2.662 5.359 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU QB 1 93 ASP QB . . 4.790 3.341 2.609 4.315 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU QB 1 93 ASP HB3 . . 5.480 4.369 2.967 5.301 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU QB 1 95 PHE H . . 5.500 4.256 3.983 4.435 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU QB 1 95 PHE HB2 . . 5.120 4.112 3.910 4.358 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU QB 1 95 PHE QD . . 5.500 5.452 5.280 5.518 0.018 10 0 "[ . 1 . 2]" 1
80 1 6 LEU QD 1 27 PHE QE . . 5.090 4.599 3.796 5.085 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU QD 1 29 PHE HA . . 4.860 2.958 2.097 3.993 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU QD 1 29 PHE QB . . 3.160 2.703 1.889 3.173 0.013 2 0 "[ . 1 . 2]" 1
83 1 6 LEU QD 1 29 PHE QD . . 3.680 2.080 1.852 2.607 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU QD 1 29 PHE QE . . 4.220 2.821 2.087 4.229 0.009 19 0 "[ . 1 . 2]" 1
85 1 6 LEU QD 1 87 MET HA . . 5.440 5.214 4.629 5.440 0.000 20 0 "[ . 1 . 2]" 1
86 1 6 LEU QD 1 87 MET QB . . 4.850 3.994 3.236 4.423 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU QD 1 87 MET ME . . 2.940 2.413 1.968 2.797 . 0 0 "[ . 1 . 2]" 1
88 1 6 LEU QD 1 93 ASP HA . . 3.970 2.405 1.930 2.897 . 0 0 "[ . 1 . 2]" 1
89 1 6 LEU QD 1 93 ASP QB . . 4.270 2.425 1.888 3.099 . 0 0 "[ . 1 . 2]" 1
90 1 6 LEU MD1 1 29 PHE H . . 5.500 4.294 3.047 5.442 . 0 0 "[ . 1 . 2]" 1
91 1 6 LEU MD1 1 29 PHE HB2 . . 5.390 3.152 1.907 4.113 . 0 0 "[ . 1 . 2]" 1
92 1 6 LEU MD1 1 29 PHE HB3 . . 5.390 4.078 1.926 5.168 . 0 0 "[ . 1 . 2]" 1
93 1 6 LEU MD1 1 29 PHE QD . . 4.310 2.203 1.884 2.632 . 0 0 "[ . 1 . 2]" 1
94 1 6 LEU MD1 1 93 ASP HA . . 4.680 3.910 3.018 4.693 0.013 10 0 "[ . 1 . 2]" 1
95 1 6 LEU MD2 1 29 PHE H . . 5.500 5.308 4.843 5.510 0.010 10 0 "[ . 1 . 2]" 1
96 1 6 LEU MD2 1 29 PHE HB2 . . 5.390 3.812 3.164 5.389 . 0 0 "[ . 1 . 2]" 1
97 1 6 LEU MD2 1 29 PHE HB3 . . 5.390 4.862 4.249 5.380 . 0 0 "[ . 1 . 2]" 1
98 1 6 LEU MD2 1 29 PHE QD . . 4.310 3.097 1.992 4.298 . 0 0 "[ . 1 . 2]" 1
99 1 6 LEU MD2 1 93 ASP HA . . 4.680 2.461 1.934 3.125 . 0 0 "[ . 1 . 2]" 1
100 1 6 LEU HG 1 7 THR H . . 5.500 5.069 4.671 5.354 . 0 0 "[ . 1 . 2]" 1
101 1 6 LEU HG 1 29 PHE H . . 5.470 4.582 4.005 5.476 0.006 12 0 "[ . 1 . 2]" 1
102 1 6 LEU HG 1 87 MET ME . . 4.950 4.576 4.190 4.953 0.003 11 0 "[ . 1 . 2]" 1
103 1 7 THR H 1 7 THR HB . . 3.520 3.351 3.003 3.496 . 0 0 "[ . 1 . 2]" 1
104 1 7 THR H 1 7 THR MG . . 3.810 3.231 2.951 3.671 . 0 0 "[ . 1 . 2]" 1
105 1 7 THR H 1 8 VAL H . . 4.930 4.547 4.455 4.601 . 0 0 "[ . 1 . 2]" 1
106 1 7 THR H 1 8 VAL QG . . 5.350 4.926 4.505 5.364 0.014 15 0 "[ . 1 . 2]" 1
107 1 7 THR H 1 26 SER HA . . 5.200 4.652 4.318 5.126 . 0 0 "[ . 1 . 2]" 1
108 1 7 THR H 1 27 PHE H . . 4.970 4.584 4.321 4.924 . 0 0 "[ . 1 . 2]" 1
109 1 7 THR H 1 93 ASP QB . . 3.760 3.551 3.015 3.760 0.000 19 0 "[ . 1 . 2]" 1
110 1 7 THR H 1 94 ILE HG12 . . 5.500 4.279 3.782 4.655 . 0 0 "[ . 1 . 2]" 1
111 1 7 THR H 1 95 PHE H . . 5.350 4.709 4.213 5.104 . 0 0 "[ . 1 . 2]" 1
112 1 7 THR HA 1 7 THR MG . . 2.620 2.116 2.026 2.192 . 0 0 "[ . 1 . 2]" 1
113 1 7 THR HA 1 8 VAL H . . 2.840 2.168 2.143 2.206 . 0 0 "[ . 1 . 2]" 1
114 1 7 THR HA 1 8 VAL HB . . 5.020 4.620 4.550 4.719 . 0 0 "[ . 1 . 2]" 1
115 1 7 THR HA 1 8 VAL QG . . 3.660 3.534 3.430 3.634 . 0 0 "[ . 1 . 2]" 1
116 1 7 THR HA 1 25 PHE H . . 5.500 4.100 3.522 4.394 . 0 0 "[ . 1 . 2]" 1
117 1 7 THR HA 1 26 SER HA . . 3.500 2.728 2.435 3.297 . 0 0 "[ . 1 . 2]" 1
118 1 7 THR HA 1 26 SER HB2 . . 5.500 5.210 4.816 5.514 0.014 19 0 "[ . 1 . 2]" 1
119 1 7 THR HA 1 26 SER HB3 . . 5.500 4.954 4.432 5.512 0.012 19 0 "[ . 1 . 2]" 1
120 1 7 THR HA 1 27 PHE H . . 3.660 3.262 2.954 3.686 0.026 20 0 "[ . 1 . 2]" 1
121 1 7 THR HB 1 8 VAL H . . 3.960 3.416 3.080 3.855 . 0 0 "[ . 1 . 2]" 1
122 1 7 THR HB 1 9 LYS QD . . 5.400 4.509 4.053 4.977 . 0 0 "[ . 1 . 2]" 1
123 1 7 THR HB 1 24 ARG HB2 . . 5.500 3.670 3.022 5.505 0.005 18 0 "[ . 1 . 2]" 1
124 1 7 THR HB 1 24 ARG QB . . 4.620 3.444 2.964 4.147 . 0 0 "[ . 1 . 2]" 1
125 1 7 THR HB 1 24 ARG HB3 . . 5.500 4.608 4.064 5.480 . 0 0 "[ . 1 . 2]" 1
126 1 7 THR HB 1 94 ILE HA . . 4.020 3.807 3.568 4.027 0.007 19 0 "[ . 1 . 2]" 1
127 1 7 THR HB 1 94 ILE MD . . 4.430 4.426 4.366 4.438 0.008 13 0 "[ . 1 . 2]" 1
128 1 7 THR HB 1 94 ILE HG12 . . 4.010 3.553 3.387 3.745 . 0 0 "[ . 1 . 2]" 1
129 1 7 THR HB 1 94 ILE HG13 . . 5.500 5.228 5.013 5.467 . 0 0 "[ . 1 . 2]" 1
130 1 7 THR HB 1 94 ILE MG . . 4.110 3.420 3.141 3.812 . 0 0 "[ . 1 . 2]" 1
131 1 7 THR MG 1 8 VAL H . . 3.380 3.234 2.918 3.397 0.017 19 0 "[ . 1 . 2]" 1
132 1 7 THR MG 1 8 VAL QG . . 5.100 4.383 4.059 4.683 . 0 0 "[ . 1 . 2]" 1
133 1 7 THR MG 1 24 ARG HA . . 4.920 4.789 4.086 4.930 0.010 16 0 "[ . 1 . 2]" 1
134 1 7 THR MG 1 24 ARG QB . . 2.980 2.797 2.053 2.981 0.001 12 0 "[ . 1 . 2]" 1
135 1 7 THR MG 1 24 ARG QD . . 4.310 3.564 2.477 4.195 . 0 0 "[ . 1 . 2]" 1
136 1 7 THR MG 1 24 ARG QG . . 3.500 2.988 2.275 3.508 0.008 18 0 "[ . 1 . 2]" 1
137 1 7 THR MG 1 25 PHE H . . 4.170 3.717 3.076 4.154 . 0 0 "[ . 1 . 2]" 1
138 1 7 THR MG 1 26 SER HA . . 4.510 3.022 2.531 3.824 . 0 0 "[ . 1 . 2]" 1
139 1 7 THR MG 1 26 SER HB2 . . 5.500 4.632 3.969 5.294 . 0 0 "[ . 1 . 2]" 1
140 1 7 THR MG 1 26 SER HB3 . . 5.500 4.163 3.176 5.407 . 0 0 "[ . 1 . 2]" 1
141 1 7 THR MG 1 27 PHE H . . 4.890 4.349 3.926 4.854 . 0 0 "[ . 1 . 2]" 1
142 1 8 VAL H 1 8 VAL HB . . 3.510 2.833 2.535 3.183 . 0 0 "[ . 1 . 2]" 1
143 1 8 VAL H 1 8 VAL MG1 . . 4.260 2.977 1.910 3.862 . 0 0 "[ . 1 . 2]" 1
144 1 8 VAL H 1 8 VAL QG . . 3.100 2.279 1.905 2.729 . 0 0 "[ . 1 . 2]" 1
145 1 8 VAL H 1 8 VAL MG2 . . 4.260 3.162 2.337 3.852 . 0 0 "[ . 1 . 2]" 1
146 1 8 VAL H 1 24 ARG HA . . 4.650 4.285 4.008 4.655 0.005 8 0 "[ . 1 . 2]" 1
147 1 8 VAL H 1 24 ARG QB . . 3.900 3.409 2.969 3.895 . 0 0 "[ . 1 . 2]" 1
148 1 8 VAL H 1 25 PHE H . . 3.000 2.698 2.393 2.979 . 0 0 "[ . 1 . 2]" 1
149 1 8 VAL H 1 25 PHE QD . . 4.930 4.434 3.964 4.752 . 0 0 "[ . 1 . 2]" 1
150 1 8 VAL H 1 25 PHE QE . . 5.500 4.895 4.412 5.239 . 0 0 "[ . 1 . 2]" 1
151 1 8 VAL H 1 26 SER HA . . 4.470 4.009 3.778 4.306 . 0 0 "[ . 1 . 2]" 1
152 1 8 VAL H 1 27 PHE H . . 4.250 4.143 3.936 4.257 0.007 19 0 "[ . 1 . 2]" 1
153 1 8 VAL H 1 27 PHE HB3 . . 5.440 4.803 4.355 5.157 . 0 0 "[ . 1 . 2]" 1
154 1 8 VAL HA 1 9 LYS H . . 3.110 2.150 2.139 2.183 . 0 0 "[ . 1 . 2]" 1
155 1 8 VAL HA 1 95 PHE H . . 3.080 2.483 2.303 2.830 . 0 0 "[ . 1 . 2]" 1
156 1 8 VAL HA 1 95 PHE HB3 . . 4.480 2.481 2.048 2.909 . 0 0 "[ . 1 . 2]" 1
157 1 8 VAL HB 1 9 LYS H . . 4.730 4.275 3.982 4.400 . 0 0 "[ . 1 . 2]" 1
158 1 8 VAL HB 1 25 PHE H . . 5.000 4.074 3.089 5.027 0.027 20 0 "[ . 1 . 2]" 1
159 1 8 VAL HB 1 25 PHE QE . . 4.920 3.777 2.658 4.925 0.005 12 0 "[ . 1 . 2]" 1
160 1 8 VAL QG 1 9 LYS H . . 3.390 2.765 2.335 2.955 . 0 0 "[ . 1 . 2]" 1
161 1 8 VAL QG 1 10 ALA HA . . 4.840 4.163 3.863 4.463 . 0 0 "[ . 1 . 2]" 1
162 1 8 VAL QG 1 25 PHE H . . 4.360 3.223 2.198 4.186 . 0 0 "[ . 1 . 2]" 1
163 1 8 VAL QG 1 25 PHE QD . . 4.770 3.288 2.845 3.762 . 0 0 "[ . 1 . 2]" 1
164 1 8 VAL QG 1 25 PHE QE . . 2.700 2.492 2.159 2.724 0.024 19 0 "[ . 1 . 2]" 1
165 1 8 VAL QG 1 26 SER HA . . 4.960 4.411 4.141 4.851 . 0 0 "[ . 1 . 2]" 1
166 1 8 VAL QG 1 27 PHE H . . 4.550 3.673 3.048 4.068 . 0 0 "[ . 1 . 2]" 1
167 1 8 VAL QG 1 27 PHE HA . . 4.970 4.248 3.876 4.652 . 0 0 "[ . 1 . 2]" 1
168 1 8 VAL QG 1 27 PHE HB2 . . 3.500 2.256 1.884 2.585 . 0 0 "[ . 1 . 2]" 1
169 1 8 VAL QG 1 27 PHE HB3 . . 3.630 3.001 2.136 3.634 0.004 16 0 "[ . 1 . 2]" 1
170 1 8 VAL QG 1 47 LEU QD . . 3.650 2.151 1.913 2.452 . 0 0 "[ . 1 . 2]" 1
171 1 8 VAL QG 1 87 MET ME . . 5.440 3.811 2.790 4.779 . 0 0 "[ . 1 . 2]" 1
172 1 8 VAL QG 1 95 PHE H . . 4.610 3.561 3.256 3.809 . 0 0 "[ . 1 . 2]" 1
173 1 8 VAL QG 1 95 PHE HB2 . . 4.700 3.466 2.695 3.965 . 0 0 "[ . 1 . 2]" 1
174 1 8 VAL QG 1 95 PHE HB3 . . 4.520 2.220 1.937 2.763 . 0 0 "[ . 1 . 2]" 1
175 1 8 VAL QG 1 96 ARG H . . 5.130 4.729 4.521 5.083 . 0 0 "[ . 1 . 2]" 1
176 1 8 VAL QG 1 96 ARG HA . . 5.100 3.905 3.689 4.249 . 0 0 "[ . 1 . 2]" 1
177 1 8 VAL QG 1 97 ILE H . . 5.440 4.320 4.051 4.714 . 0 0 "[ . 1 . 2]" 1
178 1 8 VAL QG 1 97 ILE MD . . 3.340 2.475 2.144 2.738 . 0 0 "[ . 1 . 2]" 1
179 1 8 VAL QG 1 97 ILE QG . . 3.620 2.770 2.505 3.104 . 0 0 "[ . 1 . 2]" 1
180 1 8 VAL MG1 1 9 LYS H . . 4.500 3.391 2.351 4.163 . 0 0 "[ . 1 . 2]" 1
181 1 8 VAL MG1 1 25 PHE H . . 4.950 3.522 2.204 4.795 . 0 0 "[ . 1 . 2]" 1
182 1 8 VAL MG1 1 25 PHE QE . . 3.830 2.677 2.449 3.420 . 0 0 "[ . 1 . 2]" 1
183 1 8 VAL MG1 1 95 PHE QD . . 3.890 2.995 1.909 3.900 0.010 11 0 "[ . 1 . 2]" 1
184 1 8 VAL MG2 1 9 LYS H . . 4.500 3.547 2.567 4.208 . 0 0 "[ . 1 . 2]" 1
185 1 8 VAL MG2 1 25 PHE H . . 4.950 4.422 4.100 4.617 . 0 0 "[ . 1 . 2]" 1
186 1 8 VAL MG2 1 25 PHE QE . . 3.830 3.329 2.212 3.832 0.002 6 0 "[ . 1 . 2]" 1
187 1 8 VAL MG2 1 95 PHE QD . . 3.890 2.316 1.932 3.101 . 0 0 "[ . 1 . 2]" 1
188 1 9 LYS H 1 9 LYS HB2 . . 3.760 2.435 2.213 2.735 . 0 0 "[ . 1 . 2]" 1
189 1 9 LYS H 1 9 LYS HB3 . . 3.800 3.628 3.483 3.766 . 0 0 "[ . 1 . 2]" 1
190 1 9 LYS H 1 9 LYS QD . . 4.970 4.047 3.587 4.646 . 0 0 "[ . 1 . 2]" 1
191 1 9 LYS H 1 9 LYS HG2 . . 4.240 3.706 2.652 4.244 0.004 11 0 "[ . 1 . 2]" 1
192 1 9 LYS H 1 9 LYS QG . . 3.410 2.726 2.185 3.145 . 0 0 "[ . 1 . 2]" 1
193 1 9 LYS H 1 9 LYS HG3 . . 4.240 2.904 2.214 3.724 . 0 0 "[ . 1 . 2]" 1
194 1 9 LYS H 1 10 ALA H . . 4.690 4.451 4.121 4.570 . 0 0 "[ . 1 . 2]" 1
195 1 9 LYS H 1 24 ARG QB . . 5.340 4.202 3.618 5.159 . 0 0 "[ . 1 . 2]" 1
196 1 9 LYS H 1 25 PHE H . . 5.500 5.428 5.124 5.521 0.021 20 0 "[ . 1 . 2]" 1
197 1 9 LYS H 1 94 ILE MG . . 3.680 3.168 2.747 3.542 . 0 0 "[ . 1 . 2]" 1
198 1 9 LYS H 1 95 PHE H . . 3.530 3.382 3.049 3.537 0.007 2 0 "[ . 1 . 2]" 1
199 1 9 LYS H 1 95 PHE HB2 . . 5.500 5.257 4.860 5.497 . 0 0 "[ . 1 . 2]" 1
200 1 9 LYS H 1 95 PHE HB3 . . 4.290 3.854 3.484 4.152 . 0 0 "[ . 1 . 2]" 1
201 1 9 LYS H 1 96 ARG H . . 4.940 4.641 4.344 4.908 . 0 0 "[ . 1 . 2]" 1
202 1 9 LYS H 1 96 ARG HA . . 3.790 3.086 2.628 3.631 . 0 0 "[ . 1 . 2]" 1
203 1 9 LYS H 1 96 ARG QB . . 5.340 4.771 4.289 5.086 . 0 0 "[ . 1 . 2]" 1
204 1 9 LYS HA 1 9 LYS QG . . 3.710 2.430 2.278 2.728 . 0 0 "[ . 1 . 2]" 1
205 1 9 LYS HA 1 10 ALA H . . 3.360 2.182 2.141 2.277 . 0 0 "[ . 1 . 2]" 1
206 1 9 LYS HA 1 10 ALA MB . . 4.530 3.925 3.808 4.043 . 0 0 "[ . 1 . 2]" 1
207 1 9 LYS HA 1 24 ARG HA . . 3.710 2.899 2.621 3.252 . 0 0 "[ . 1 . 2]" 1
208 1 9 LYS HA 1 25 PHE H . . 4.850 4.461 4.164 4.768 . 0 0 "[ . 1 . 2]" 1
209 1 9 LYS HB2 1 9 LYS QE . . 4.040 3.145 2.295 4.042 0.002 14 0 "[ . 1 . 2]" 1
210 1 9 LYS HB2 1 10 ALA H . . 5.050 4.204 3.811 4.517 . 0 0 "[ . 1 . 2]" 1
211 1 9 LYS HB2 1 96 ARG H . . 5.250 4.912 4.170 5.242 . 0 0 "[ . 1 . 2]" 1
212 1 9 LYS HB3 1 11 TYR QE . . 4.320 3.657 2.753 4.162 . 0 0 "[ . 1 . 2]" 1
213 1 9 LYS HB3 1 24 ARG QD . . 5.220 4.391 3.429 5.222 0.002 19 0 "[ . 1 . 2]" 1
214 1 9 LYS HB3 1 96 ARG HA . . 5.040 4.038 3.086 4.483 . 0 0 "[ . 1 . 2]" 1
215 1 9 LYS HB3 1 96 ARG QB . . 5.340 4.605 3.255 5.260 . 0 0 "[ . 1 . 2]" 1
216 1 9 LYS QD 1 94 ILE MG . . 3.440 2.474 1.868 3.442 0.002 5 0 "[ . 1 . 2]" 1
217 1 9 LYS QE 1 22 ILE MD . . 4.930 4.694 4.191 4.931 0.001 7 0 "[ . 1 . 2]" 1
218 1 9 LYS QE 1 22 ILE MG . . 3.960 3.351 2.211 3.961 0.001 6 0 "[ . 1 . 2]" 1
219 1 9 LYS QE 1 94 ILE MD . . 5.030 4.467 3.532 4.997 . 0 0 "[ . 1 . 2]" 1
220 1 9 LYS QE 1 94 ILE MG . . 4.870 3.708 2.323 4.631 . 0 0 "[ . 1 . 2]" 1
221 1 9 LYS QG 1 24 ARG QD . . 3.990 2.559 1.959 3.970 . 0 0 "[ . 1 . 2]" 1
222 1 10 ALA H 1 10 ALA MB . . 3.600 2.365 2.175 2.482 . 0 0 "[ . 1 . 2]" 1
223 1 10 ALA H 1 11 TYR H . . 4.670 4.462 4.329 4.566 . 0 0 "[ . 1 . 2]" 1
224 1 10 ALA H 1 11 TYR HA . . 5.240 4.976 4.823 5.225 . 0 0 "[ . 1 . 2]" 1
225 1 10 ALA H 1 22 ILE MG . . 4.400 3.842 3.182 4.402 0.002 15 0 "[ . 1 . 2]" 1
226 1 10 ALA H 1 24 ARG HA . . 4.030 3.647 3.108 4.024 . 0 0 "[ . 1 . 2]" 1
227 1 10 ALA H 1 24 ARG QD . . 5.500 5.279 4.611 5.508 0.008 19 0 "[ . 1 . 2]" 1
228 1 10 ALA H 1 55 PHE QE . . 4.750 4.411 3.688 4.729 . 0 0 "[ . 1 . 2]" 1
229 1 10 ALA HA 1 11 TYR H . . 3.410 2.226 2.143 2.299 . 0 0 "[ . 1 . 2]" 1
230 1 10 ALA HA 1 11 TYR HA . . 5.110 4.406 4.380 4.426 . 0 0 "[ . 1 . 2]" 1
231 1 10 ALA HA 1 11 TYR HB2 . . 5.070 4.506 4.428 4.658 . 0 0 "[ . 1 . 2]" 1
232 1 10 ALA HA 1 11 TYR QD . . 4.230 3.706 3.083 4.039 . 0 0 "[ . 1 . 2]" 1
233 1 10 ALA HA 1 55 PHE QE . . 4.820 4.548 4.094 4.806 . 0 0 "[ . 1 . 2]" 1
234 1 10 ALA HA 1 97 ILE H . . 4.170 3.013 2.757 3.235 . 0 0 "[ . 1 . 2]" 1
235 1 10 ALA HA 1 97 ILE HB . . 4.790 4.665 4.430 4.793 0.003 7 0 "[ . 1 . 2]" 1
236 1 10 ALA HA 1 97 ILE MD . . 3.690 3.491 3.192 3.663 . 0 0 "[ . 1 . 2]" 1
237 1 10 ALA HA 1 97 ILE QG . . 2.800 2.236 1.968 2.363 . 0 0 "[ . 1 . 2]" 1
238 1 10 ALA HA 1 97 ILE MG . . 4.820 4.776 4.627 4.832 0.012 10 0 "[ . 1 . 2]" 1
239 1 10 ALA HA 1 99 ILE MD . . 5.080 3.765 3.499 4.024 . 0 0 "[ . 1 . 2]" 1
240 1 10 ALA MB 1 11 TYR H . . 3.650 2.869 2.640 3.222 . 0 0 "[ . 1 . 2]" 1
241 1 10 ALA MB 1 22 ILE MG . . 5.400 4.659 4.214 5.242 . 0 0 "[ . 1 . 2]" 1
242 1 10 ALA MB 1 24 ARG HA . . 4.570 4.302 3.816 4.559 . 0 0 "[ . 1 . 2]" 1
243 1 10 ALA MB 1 51 VAL MG1 . . 3.670 2.979 2.685 3.188 . 0 0 "[ . 1 . 2]" 1
244 1 10 ALA MB 1 51 VAL MG2 . . 4.610 2.792 2.518 3.165 . 0 0 "[ . 1 . 2]" 1
245 1 10 ALA MB 1 55 PHE QE . . 3.340 1.985 1.919 2.101 . 0 0 "[ . 1 . 2]" 1
246 1 10 ALA MB 1 55 PHE HZ . . 3.630 2.545 2.151 3.050 . 0 0 "[ . 1 . 2]" 1
247 1 10 ALA MB 1 97 ILE H . . 5.080 4.438 4.175 4.678 . 0 0 "[ . 1 . 2]" 1
248 1 10 ALA MB 1 97 ILE MD . . 4.030 2.633 1.964 2.948 . 0 0 "[ . 1 . 2]" 1
249 1 10 ALA MB 1 97 ILE MG . . 5.500 4.850 4.572 5.034 . 0 0 "[ . 1 . 2]" 1
250 1 10 ALA MB 1 99 ILE H . . 5.200 4.129 3.909 4.406 . 0 0 "[ . 1 . 2]" 1
251 1 10 ALA MB 1 99 ILE MD . . 3.760 2.681 2.389 3.044 . 0 0 "[ . 1 . 2]" 1
252 1 10 ALA MB 1 99 ILE QG . . 3.680 2.040 1.822 2.258 . 0 0 "[ . 1 . 2]" 1
253 1 11 TYR H 1 11 TYR HB2 . . 3.310 2.598 2.441 2.678 . 0 0 "[ . 1 . 2]" 1
254 1 11 TYR H 1 11 TYR HB3 . . 3.940 3.750 3.654 3.800 . 0 0 "[ . 1 . 2]" 1
255 1 11 TYR H 1 11 TYR QD . . 3.410 2.990 2.727 3.315 . 0 0 "[ . 1 . 2]" 1
256 1 11 TYR H 1 11 TYR QE . . 5.230 4.914 4.598 5.148 . 0 0 "[ . 1 . 2]" 1
257 1 11 TYR H 1 97 ILE H . . 4.140 3.938 3.616 4.139 . 0 0 "[ . 1 . 2]" 1
258 1 11 TYR H 1 97 ILE MD . . 5.000 4.641 4.313 4.970 . 0 0 "[ . 1 . 2]" 1
259 1 11 TYR H 1 97 ILE QG . . 4.610 3.318 2.965 3.551 . 0 0 "[ . 1 . 2]" 1
260 1 11 TYR H 1 98 TYR H . . 5.290 4.991 4.776 5.129 . 0 0 "[ . 1 . 2]" 1
261 1 11 TYR H 1 98 TYR HA . . 4.110 3.058 2.653 3.433 . 0 0 "[ . 1 . 2]" 1
262 1 11 TYR H 1 99 ILE H . . 3.860 2.794 2.506 3.127 . 0 0 "[ . 1 . 2]" 1
263 1 11 TYR H 1 99 ILE HB . . 4.490 4.149 3.755 4.480 . 0 0 "[ . 1 . 2]" 1
264 1 11 TYR H 1 99 ILE MD . . 4.090 3.823 3.701 4.072 . 0 0 "[ . 1 . 2]" 1
265 1 11 TYR H 1 99 ILE QG . . 3.420 2.514 2.253 2.854 . 0 0 "[ . 1 . 2]" 1
266 1 11 TYR HA 1 22 ILE HA . . 4.020 3.544 3.241 3.946 . 0 0 "[ . 1 . 2]" 1
267 1 11 TYR HA 1 22 ILE MG . . 4.400 3.994 3.571 4.384 . 0 0 "[ . 1 . 2]" 1
268 1 11 TYR HB2 1 13 LEU MD1 . . 5.500 4.642 4.387 5.048 . 0 0 "[ . 1 . 2]" 1
269 1 11 TYR HB2 1 13 LEU MD2 . . 5.500 3.402 3.042 4.405 . 0 0 "[ . 1 . 2]" 1
270 1 11 TYR HB2 1 19 ALA MB . . 5.500 5.269 4.907 5.436 . 0 0 "[ . 1 . 2]" 1
271 1 11 TYR HB2 1 97 ILE H . . 5.300 4.899 4.637 5.219 . 0 0 "[ . 1 . 2]" 1
272 1 11 TYR HB2 1 98 TYR HA . . 4.000 2.552 2.213 2.811 . 0 0 "[ . 1 . 2]" 1
273 1 11 TYR HB2 1 98 TYR QD . . 4.680 3.819 3.359 4.247 . 0 0 "[ . 1 . 2]" 1
274 1 11 TYR HB2 1 99 ILE H . . 4.120 3.436 3.258 3.563 . 0 0 "[ . 1 . 2]" 1
275 1 11 TYR HB2 1 99 ILE MD . . 5.500 5.502 5.485 5.514 0.014 11 0 "[ . 1 . 2]" 1
276 1 11 TYR HB3 1 13 LEU QD . . 3.630 2.911 2.694 3.583 . 0 0 "[ . 1 . 2]" 1
277 1 11 TYR HB3 1 13 LEU HG . . 5.500 4.722 4.048 5.244 . 0 0 "[ . 1 . 2]" 1
278 1 11 TYR HB3 1 19 ALA MB . . 3.880 3.742 3.431 3.885 0.005 10 0 "[ . 1 . 2]" 1
279 1 11 TYR HB3 1 20 ARG H . . 5.500 5.383 5.096 5.507 0.007 16 0 "[ . 1 . 2]" 1
280 1 11 TYR HB3 1 98 TYR HA . . 4.740 4.130 3.732 4.406 . 0 0 "[ . 1 . 2]" 1
281 1 11 TYR HB3 1 99 ILE H . . 5.110 4.569 4.386 4.707 . 0 0 "[ . 1 . 2]" 1
282 1 11 TYR QD 1 19 ALA MB . . 3.290 3.082 2.692 3.292 0.002 5 0 "[ . 1 . 2]" 1
283 1 11 TYR QD 1 22 ILE MD . . 3.810 2.748 1.923 3.780 . 0 0 "[ . 1 . 2]" 1
284 1 11 TYR QD 1 97 ILE H . . 3.670 3.021 2.753 3.388 . 0 0 "[ . 1 . 2]" 1
285 1 11 TYR QD 1 98 TYR HA . . 4.710 3.527 3.102 3.812 . 0 0 "[ . 1 . 2]" 1
286 1 11 TYR QE 1 22 ILE MD . . 3.580 2.798 2.311 3.549 . 0 0 "[ . 1 . 2]" 1
287 1 11 TYR QE 1 96 ARG HA . . 4.040 3.484 2.940 3.940 . 0 0 "[ . 1 . 2]" 1
288 1 11 TYR QE 1 96 ARG HB2 . . 3.840 3.433 2.009 3.841 0.001 19 0 "[ . 1 . 2]" 1
289 1 11 TYR QE 1 96 ARG QB . . 3.340 2.172 1.971 2.532 . 0 0 "[ . 1 . 2]" 1
290 1 11 TYR QE 1 96 ARG HB3 . . 3.840 2.373 2.007 3.517 . 0 0 "[ . 1 . 2]" 1
291 1 11 TYR QE 1 96 ARG QD . . 4.450 3.606 2.217 4.454 0.004 12 0 "[ . 1 . 2]" 1
292 1 11 TYR QE 1 97 ILE H . . 4.470 3.522 3.138 3.936 . 0 0 "[ . 1 . 2]" 1
293 1 12 LEU HA 1 12 LEU MD1 . . 4.130 2.444 1.987 3.801 . 0 0 "[ . 1 . 2]" 1
294 1 12 LEU HA 1 12 LEU QD . . 3.140 2.056 1.981 2.231 . 0 0 "[ . 1 . 2]" 1
295 1 12 LEU HA 1 12 LEU MD2 . . 4.130 2.996 2.099 3.867 . 0 0 "[ . 1 . 2]" 1
296 1 12 LEU HA 1 12 LEU HG . . 3.890 3.388 2.607 3.669 . 0 0 "[ . 1 . 2]" 1
297 1 12 LEU HA 1 13 LEU H . . 3.090 2.183 2.148 2.211 . 0 0 "[ . 1 . 2]" 1
298 1 12 LEU HA 1 13 LEU HB2 . . 5.500 4.827 4.682 4.894 . 0 0 "[ . 1 . 2]" 1
299 1 12 LEU HA 1 99 ILE H . . 3.830 3.651 3.488 3.823 . 0 0 "[ . 1 . 2]" 1
300 1 12 LEU HA 1 99 ILE HB . . 3.650 2.461 2.276 2.684 . 0 0 "[ . 1 . 2]" 1
301 1 12 LEU HA 1 99 ILE MD . . 5.360 5.186 5.037 5.340 . 0 0 "[ . 1 . 2]" 1
302 1 12 LEU HA 1 99 ILE MG . . 3.990 3.685 3.499 3.959 . 0 0 "[ . 1 . 2]" 1
303 1 12 LEU HA 1 100 LYS H . . 5.500 5.467 5.384 5.507 0.007 8 0 "[ . 1 . 2]" 1
304 1 12 LEU HB2 1 12 LEU QD . . 2.840 2.181 2.050 2.401 . 0 0 "[ . 1 . 2]" 1
305 1 12 LEU HB2 1 20 ARG H . . 5.500 4.467 3.907 5.371 . 0 0 "[ . 1 . 2]" 1
306 1 12 LEU HB2 1 21 GLU HB2 . . 4.270 3.751 2.457 4.275 0.005 16 0 "[ . 1 . 2]" 1
307 1 12 LEU HB2 1 21 GLU HB3 . . 4.270 3.356 2.315 4.268 . 0 0 "[ . 1 . 2]" 1
308 1 12 LEU HB2 1 55 PHE QB . . 5.210 4.126 3.329 4.789 . 0 0 "[ . 1 . 2]" 1
309 1 12 LEU HB3 1 12 LEU QD . . 2.930 2.237 2.036 2.366 . 0 0 "[ . 1 . 2]" 1
310 1 12 LEU HB3 1 20 ARG H . . 5.290 2.948 2.466 3.781 . 0 0 "[ . 1 . 2]" 1
311 1 12 LEU HB3 1 20 ARG QD . . 5.340 4.504 3.846 5.341 0.001 12 0 "[ . 1 . 2]" 1
312 1 12 LEU HB3 1 21 GLU H . . 3.010 2.117 1.940 2.521 . 0 0 "[ . 1 . 2]" 1
313 1 12 LEU HB3 1 21 GLU HB2 . . 4.970 3.432 2.541 4.275 . 0 0 "[ . 1 . 2]" 1
314 1 12 LEU HB3 1 21 GLU QB . . 4.360 2.924 2.294 3.443 . 0 0 "[ . 1 . 2]" 1
315 1 12 LEU HB3 1 21 GLU HB3 . . 4.970 3.540 2.322 4.773 . 0 0 "[ . 1 . 2]" 1
316 1 12 LEU HB3 1 55 PHE QE . . 4.340 3.640 2.915 4.252 . 0 0 "[ . 1 . 2]" 1
317 1 12 LEU QD 1 13 LEU H . . 3.160 1.950 1.883 2.015 . 0 0 "[ . 1 . 2]" 1
318 1 12 LEU QD 1 13 LEU QD . . 3.880 3.877 3.716 3.922 0.042 13 0 "[ . 1 . 2]" 1
319 1 12 LEU QD 1 13 LEU HG . . 5.440 3.990 3.913 4.100 . 0 0 "[ . 1 . 2]" 1
320 1 12 LEU QD 1 20 ARG H . . 4.700 3.805 3.403 4.279 . 0 0 "[ . 1 . 2]" 1
321 1 12 LEU QD 1 20 ARG HB2 . . 4.850 2.753 2.082 3.660 . 0 0 "[ . 1 . 2]" 1
322 1 12 LEU QD 1 20 ARG HB3 . . 3.490 2.783 1.976 3.488 . 0 0 "[ . 1 . 2]" 1
323 1 12 LEU QD 1 20 ARG QD . . 4.010 2.824 2.218 3.597 . 0 0 "[ . 1 . 2]" 1
324 1 12 LEU QD 1 20 ARG QG . . 4.870 3.437 2.429 4.167 . 0 0 "[ . 1 . 2]" 1
325 1 12 LEU QD 1 21 GLU QB . . 3.650 2.708 1.891 3.655 0.005 20 0 "[ . 1 . 2]" 1
326 1 12 LEU QD 1 21 GLU QG . . 5.270 4.009 2.714 5.117 . 0 0 "[ . 1 . 2]" 1
327 1 12 LEU QD 1 55 PHE QB . . 4.200 2.327 1.949 2.864 . 0 0 "[ . 1 . 2]" 1
328 1 12 LEU QD 1 55 PHE QD . . 3.720 2.406 1.918 2.912 . 0 0 "[ . 1 . 2]" 1
329 1 12 LEU QD 1 55 PHE QE . . 4.520 3.279 2.934 3.711 . 0 0 "[ . 1 . 2]" 1
330 1 12 LEU QD 1 58 LEU QB . . 4.070 3.503 2.534 3.760 . 0 0 "[ . 1 . 2]" 1
331 1 12 LEU QD 1 58 LEU QD . . 3.460 1.864 1.710 2.093 . 0 0 "[ . 1 . 2]" 1
332 1 12 LEU QD 1 58 LEU HG . . 4.580 3.744 3.596 3.951 . 0 0 "[ . 1 . 2]" 1
333 1 12 LEU QD 1 99 ILE HB . . 3.940 2.724 1.972 3.493 . 0 0 "[ . 1 . 2]" 1
334 1 12 LEU QD 1 100 LYS HA . . 3.860 3.319 2.977 3.516 . 0 0 "[ . 1 . 2]" 1
335 1 12 LEU QD 1 101 GLU H . . 4.270 3.519 3.202 3.749 . 0 0 "[ . 1 . 2]" 1
336 1 12 LEU QD 1 101 GLU QG . . 4.110 3.311 3.061 3.594 . 0 0 "[ . 1 . 2]" 1
337 1 12 LEU MD1 1 55 PHE QD . . 4.450 3.557 1.922 4.098 . 0 0 "[ . 1 . 2]" 1
338 1 12 LEU MD1 1 101 GLU QG . . 5.500 3.536 3.119 4.942 . 0 0 "[ . 1 . 2]" 1
339 1 12 LEU MD2 1 55 PHE QD . . 4.450 2.676 1.983 4.333 . 0 0 "[ . 1 . 2]" 1
340 1 12 LEU MD2 1 101 GLU QG . . 5.500 4.551 3.113 5.178 . 0 0 "[ . 1 . 2]" 1
341 1 12 LEU HG 1 13 LEU H . . 4.430 3.763 2.901 4.449 0.019 11 0 "[ . 1 . 2]" 1
342 1 12 LEU HG 1 20 ARG HB2 . . 4.880 3.163 2.001 4.871 . 0 0 "[ . 1 . 2]" 1
343 1 12 LEU HG 1 21 GLU H . . 4.410 3.969 3.507 4.431 0.021 8 0 "[ . 1 . 2]" 1
344 1 12 LEU HG 1 99 ILE MG . . 5.500 4.968 3.417 5.507 0.007 12 0 "[ . 1 . 2]" 1
345 1 13 LEU H 1 13 LEU MD1 . . 4.020 3.941 3.530 4.024 0.004 12 0 "[ . 1 . 2]" 1
346 1 13 LEU H 1 13 LEU MD2 . . 4.020 3.253 2.884 4.026 0.006 13 0 "[ . 1 . 2]" 1
347 1 13 LEU H 1 13 LEU HG . . 3.160 2.552 2.368 2.765 . 0 0 "[ . 1 . 2]" 1
348 1 13 LEU H 1 14 GLY H . . 4.530 4.341 4.179 4.508 . 0 0 "[ . 1 . 2]" 1
349 1 13 LEU H 1 20 ARG H . . 4.940 4.708 4.529 4.909 . 0 0 "[ . 1 . 2]" 1
350 1 13 LEU H 1 99 ILE H . . 4.950 4.694 4.379 4.887 . 0 0 "[ . 1 . 2]" 1
351 1 13 LEU H 1 100 LYS HA . . 4.070 3.341 3.185 3.488 . 0 0 "[ . 1 . 2]" 1
352 1 13 LEU H 1 100 LYS HG2 . . 4.650 3.786 3.523 4.041 . 0 0 "[ . 1 . 2]" 1
353 1 13 LEU H 1 100 LYS HG3 . . 4.580 4.295 4.125 4.472 . 0 0 "[ . 1 . 2]" 1
354 1 13 LEU HA 1 13 LEU MD1 . . 4.000 3.910 3.854 3.980 . 0 0 "[ . 1 . 2]" 1
355 1 13 LEU HA 1 13 LEU QD . . 2.980 2.289 2.161 2.518 . 0 0 "[ . 1 . 2]" 1
356 1 13 LEU HA 1 13 LEU MD2 . . 4.000 2.306 2.172 2.546 . 0 0 "[ . 1 . 2]" 1
357 1 13 LEU HA 1 14 GLY QA . . 4.360 3.899 3.888 3.919 . 0 0 "[ . 1 . 2]" 1
358 1 13 LEU HA 1 20 ARG H . . 4.330 3.377 3.080 3.602 . 0 0 "[ . 1 . 2]" 1
359 1 13 LEU HA 1 21 GLU H . . 5.500 5.345 5.025 5.511 0.011 1 0 "[ . 1 . 2]" 1
360 1 13 LEU HB2 1 14 GLY H . . 4.590 3.975 3.455 4.252 . 0 0 "[ . 1 . 2]" 1
361 1 13 LEU HB2 1 14 GLY QA . . 5.330 4.498 4.276 4.675 . 0 0 "[ . 1 . 2]" 1
362 1 13 LEU HB2 1 100 LYS HA . . 3.910 3.553 3.365 3.844 . 0 0 "[ . 1 . 2]" 1
363 1 13 LEU HB2 1 100 LYS HB2 . . 5.250 4.902 4.541 5.213 . 0 0 "[ . 1 . 2]" 1
364 1 13 LEU HB2 1 100 LYS HD3 . . 4.490 4.381 4.230 4.496 0.006 10 0 "[ . 1 . 2]" 1
365 1 13 LEU HB3 1 13 LEU QD . . 2.980 2.080 2.024 2.134 . 0 0 "[ . 1 . 2]" 1
366 1 13 LEU HB3 1 14 GLY H . . 3.640 3.316 2.746 3.590 . 0 0 "[ . 1 . 2]" 1
367 1 13 LEU HB3 1 14 GLY HA2 . . 5.500 5.067 4.919 5.188 . 0 0 "[ . 1 . 2]" 1
368 1 13 LEU HB3 1 14 GLY QA . . 4.680 4.624 4.439 4.701 0.021 12 0 "[ . 1 . 2]" 1
369 1 13 LEU HB3 1 14 GLY HA3 . . 5.500 5.343 5.039 5.510 0.010 8 0 "[ . 1 . 2]" 1
370 1 13 LEU HB3 1 17 GLU H . . 4.070 3.976 3.873 4.081 0.011 11 0 "[ . 1 . 2]" 1
371 1 13 LEU HB3 1 17 GLU HA . . 3.910 2.040 1.992 2.313 . 0 0 "[ . 1 . 2]" 1
372 1 13 LEU HB3 1 100 LYS HE2 . . 4.390 3.039 2.653 3.354 . 0 0 "[ . 1 . 2]" 1
373 1 13 LEU HB3 1 100 LYS QE . . 3.730 2.907 2.627 3.130 . 0 0 "[ . 1 . 2]" 1
374 1 13 LEU HB3 1 100 LYS HE3 . . 4.390 3.847 3.316 4.391 0.001 3 0 "[ . 1 . 2]" 1
375 1 13 LEU QD 1 14 GLY H . . 4.060 3.876 3.716 4.062 0.002 13 0 "[ . 1 . 2]" 1
376 1 13 LEU QD 1 17 GLU H . . 5.400 4.586 4.352 4.734 . 0 0 "[ . 1 . 2]" 1
377 1 13 LEU QD 1 17 GLU HA . . 3.240 2.928 2.574 3.205 . 0 0 "[ . 1 . 2]" 1
378 1 13 LEU QD 1 17 GLU QB . . 3.460 2.973 1.932 3.471 0.011 16 0 "[ . 1 . 2]" 1
379 1 13 LEU QD 1 17 GLU QG . . 4.580 3.249 2.050 4.189 . 0 0 "[ . 1 . 2]" 1
380 1 13 LEU QD 1 18 ALA H . . 4.670 3.965 3.446 4.295 . 0 0 "[ . 1 . 2]" 1
381 1 13 LEU QD 1 18 ALA HA . . 4.190 3.874 3.142 4.192 0.002 1 0 "[ . 1 . 2]" 1
382 1 13 LEU QD 1 19 ALA H . . 4.220 3.921 2.675 4.229 0.009 10 0 "[ . 1 . 2]" 1
383 1 13 LEU QD 1 19 ALA HA . . 3.350 3.077 2.722 3.323 . 0 0 "[ . 1 . 2]" 1
384 1 13 LEU QD 1 20 ARG H . . 4.280 3.825 3.546 4.281 0.001 13 0 "[ . 1 . 2]" 1
385 1 13 LEU QD 1 74 LEU QD . . 3.870 3.151 2.823 3.531 . 0 0 "[ . 1 . 2]" 1
386 1 13 LEU QD 1 98 TYR H . . 5.390 5.161 4.919 5.351 . 0 0 "[ . 1 . 2]" 1
387 1 13 LEU QD 1 98 TYR HA . . 4.200 3.502 3.302 3.840 . 0 0 "[ . 1 . 2]" 1
388 1 13 LEU QD 1 98 TYR HB2 . . 3.790 3.685 3.414 3.800 0.010 18 0 "[ . 1 . 2]" 1
389 1 13 LEU QD 1 98 TYR HB3 . . 3.490 2.295 1.973 2.576 . 0 0 "[ . 1 . 2]" 1
390 1 13 LEU QD 1 98 TYR QD . . 2.530 2.109 1.941 2.358 . 0 0 "[ . 1 . 2]" 1
391 1 13 LEU QD 1 98 TYR QE . . 4.320 3.429 3.176 3.746 . 0 0 "[ . 1 . 2]" 1
392 1 13 LEU QD 1 99 ILE H . . 4.260 3.694 3.494 3.984 . 0 0 "[ . 1 . 2]" 1
393 1 13 LEU QD 1 99 ILE HA . . 5.440 4.873 4.624 5.074 . 0 0 "[ . 1 . 2]" 1
394 1 13 LEU QD 1 100 LYS HA . . 4.380 3.997 3.869 4.064 . 0 0 "[ . 1 . 2]" 1
395 1 13 LEU QD 1 100 LYS HB2 . . 4.010 3.882 3.729 3.992 . 0 0 "[ . 1 . 2]" 1
396 1 13 LEU QD 1 100 LYS HD2 . . 4.680 2.903 2.703 3.143 . 0 0 "[ . 1 . 2]" 1
397 1 13 LEU QD 1 100 LYS QE . . 3.710 1.917 1.827 1.979 . 0 0 "[ . 1 . 2]" 1
398 1 13 LEU QD 1 100 LYS HG2 . . 3.400 2.736 2.561 2.999 . 0 0 "[ . 1 . 2]" 1
399 1 13 LEU QD 1 100 LYS HG3 . . 3.880 1.959 1.907 2.004 . 0 0 "[ . 1 . 2]" 1
400 1 13 LEU QD 1 101 GLU H . . 5.440 5.442 5.410 5.469 0.029 15 0 "[ . 1 . 2]" 1
401 1 13 LEU MD1 1 17 GLU HA . . 4.710 3.478 2.882 4.138 . 0 0 "[ . 1 . 2]" 1
402 1 13 LEU MD1 1 98 TYR HB3 . . 4.440 2.327 1.987 2.686 . 0 0 "[ . 1 . 2]" 1
403 1 13 LEU MD1 1 98 TYR QE . . 4.950 4.011 3.838 4.337 . 0 0 "[ . 1 . 2]" 1
404 1 13 LEU MD2 1 17 GLU HA . . 4.710 3.275 2.607 3.652 . 0 0 "[ . 1 . 2]" 1
405 1 13 LEU MD2 1 98 TYR HB3 . . 4.440 3.666 3.308 4.160 . 0 0 "[ . 1 . 2]" 1
406 1 13 LEU MD2 1 98 TYR QE . . 4.950 3.733 3.381 4.096 . 0 0 "[ . 1 . 2]" 1
407 1 13 LEU HG 1 98 TYR HA . . 5.250 4.356 4.161 4.598 . 0 0 "[ . 1 . 2]" 1
408 1 13 LEU HG 1 99 ILE H . . 5.500 3.816 3.561 4.406 . 0 0 "[ . 1 . 2]" 1
409 1 13 LEU HG 1 100 LYS HG3 . . 4.130 3.014 2.580 4.022 . 0 0 "[ . 1 . 2]" 1
410 1 14 GLY H 1 15 LYS HA . . 5.500 5.283 5.095 5.477 . 0 0 "[ . 1 . 2]" 1
411 1 14 GLY H 1 17 GLU H . . 4.820 3.461 2.438 4.000 . 0 0 "[ . 1 . 2]" 1
412 1 14 GLY H 1 18 ALA H . . 4.160 3.076 2.487 3.878 . 0 0 "[ . 1 . 2]" 1
413 1 14 GLY H 1 19 ALA HA . . 5.450 5.083 4.711 5.441 . 0 0 "[ . 1 . 2]" 1
414 1 14 GLY H 1 20 ARG H . . 4.520 4.188 3.568 4.524 0.004 3 0 "[ . 1 . 2]" 1
415 1 14 GLY H 1 20 ARG HB2 . . 4.730 3.693 2.778 4.691 . 0 0 "[ . 1 . 2]" 1
416 1 14 GLY H 1 20 ARG QD . . 5.340 3.544 3.011 5.148 . 0 0 "[ . 1 . 2]" 1
417 1 14 GLY H 1 20 ARG QG . . 4.990 3.311 2.248 4.988 . 0 0 "[ . 1 . 2]" 1
418 1 14 GLY QA 1 15 LYS HA . . 4.720 3.935 3.929 3.942 . 0 0 "[ . 1 . 2]" 1
419 1 14 GLY QA 1 15 LYS QB . . 4.740 3.909 3.809 4.373 . 0 0 "[ . 1 . 2]" 1
420 1 14 GLY QA 1 20 ARG QD . . 3.520 2.303 1.909 3.511 . 0 0 "[ . 1 . 2]" 1
421 1 14 GLY QA 1 20 ARG QG . . 4.310 3.095 2.091 4.099 . 0 0 "[ . 1 . 2]" 1
422 1 14 GLY HA2 1 20 ARG HD2 . . 4.910 3.228 2.587 4.150 . 0 0 "[ . 1 . 2]" 1
423 1 14 GLY HA2 1 20 ARG HD3 . . 4.910 3.875 2.939 4.884 . 0 0 "[ . 1 . 2]" 1
424 1 14 GLY HA2 1 20 ARG HG2 . . 5.500 5.323 4.524 5.507 0.007 15 0 "[ . 1 . 2]" 1
425 1 14 GLY HA2 1 20 ARG HG3 . . 5.500 4.319 2.897 5.456 . 0 0 "[ . 1 . 2]" 1
426 1 14 GLY HA3 1 20 ARG HD2 . . 4.910 2.506 1.998 4.273 . 0 0 "[ . 1 . 2]" 1
427 1 14 GLY HA3 1 20 ARG HD3 . . 4.910 3.615 2.431 4.663 . 0 0 "[ . 1 . 2]" 1
428 1 14 GLY HA3 1 20 ARG HG2 . . 5.500 4.378 3.352 5.444 . 0 0 "[ . 1 . 2]" 1
429 1 14 GLY HA3 1 20 ARG HG3 . . 5.500 3.342 2.175 4.714 . 0 0 "[ . 1 . 2]" 1
430 1 15 LYS HA 1 15 LYS QD . . 4.220 3.689 3.435 4.089 . 0 0 "[ . 1 . 2]" 1
431 1 15 LYS HA 1 15 LYS QG . . 2.770 2.429 2.207 2.659 . 0 0 "[ . 1 . 2]" 1
432 1 15 LYS QB 1 15 LYS QD . . 2.770 2.066 1.974 2.153 . 0 0 "[ . 1 . 2]" 1
433 1 15 LYS QB 1 15 LYS QE . . 4.010 3.319 2.730 3.693 . 0 0 "[ . 1 . 2]" 1
434 1 15 LYS QB 1 16 GLU H . . 4.080 2.618 2.315 2.861 . 0 0 "[ . 1 . 2]" 1
435 1 15 LYS HB2 1 15 LYS QD . . 3.290 2.971 1.992 3.292 0.002 19 0 "[ . 1 . 2]" 1
436 1 15 LYS HB2 1 15 LYS QE . . 4.730 3.902 2.880 4.411 . 0 0 "[ . 1 . 2]" 1
437 1 15 LYS HB2 1 16 GLU H . . 4.650 3.693 2.340 4.112 . 0 0 "[ . 1 . 2]" 1
438 1 15 LYS HB3 1 15 LYS QD . . 3.290 2.280 2.041 3.337 0.047 10 0 "[ . 1 . 2]" 1
439 1 15 LYS HB3 1 15 LYS QE . . 4.730 3.636 2.869 4.010 . 0 0 "[ . 1 . 2]" 1
440 1 15 LYS HB3 1 16 GLU H . . 4.650 2.863 2.364 3.885 . 0 0 "[ . 1 . 2]" 1
441 1 15 LYS QD 1 16 GLU HB2 . . 4.900 4.655 4.258 4.915 0.015 11 0 "[ . 1 . 2]" 1
442 1 15 LYS QD 1 16 GLU QG . . 3.640 2.576 2.168 3.216 . 0 0 "[ . 1 . 2]" 1
443 1 15 LYS QE 1 15 LYS HG2 . . 3.330 2.712 2.000 3.303 . 0 0 "[ . 1 . 2]" 1
444 1 15 LYS QE 1 15 LYS QG . . 2.860 2.153 1.981 2.365 . 0 0 "[ . 1 . 2]" 1
445 1 15 LYS QE 1 15 LYS HG3 . . 3.330 2.484 2.060 3.251 . 0 0 "[ . 1 . 2]" 1
446 1 15 LYS QE 1 16 GLU QG . . 4.190 3.842 3.431 4.200 0.010 10 0 "[ . 1 . 2]" 1
447 1 15 LYS QG 1 16 GLU QG . . 4.420 4.169 3.569 4.482 0.062 10 0 "[ . 1 . 2]" 1
448 1 15 LYS HG2 1 16 GLU QG . . 5.090 4.555 3.668 4.974 . 0 0 "[ . 1 . 2]" 1
449 1 15 LYS HG3 1 16 GLU QG . . 5.090 4.908 4.526 5.103 0.013 11 0 "[ . 1 . 2]" 1
450 1 16 GLU H 1 16 GLU HB2 . . 3.000 2.534 2.352 2.704 . 0 0 "[ . 1 . 2]" 1
451 1 16 GLU H 1 16 GLU HB3 . . 3.800 3.640 3.574 3.680 . 0 0 "[ . 1 . 2]" 1
452 1 16 GLU H 1 16 GLU QG . . 3.200 2.426 1.923 3.204 0.004 1 0 "[ . 1 . 2]" 1
453 1 16 GLU H 1 17 GLU H . . 4.000 2.584 2.091 2.784 . 0 0 "[ . 1 . 2]" 1
454 1 16 GLU HA 1 16 GLU HB3 . . 2.550 2.448 2.357 2.544 . 0 0 "[ . 1 . 2]" 1
455 1 16 GLU HA 1 16 GLU QG . . 2.890 2.525 2.344 2.799 . 0 0 "[ . 1 . 2]" 1
456 1 16 GLU HA 1 17 GLU HA . . 5.200 5.080 4.937 5.254 0.054 19 0 "[ . 1 . 2]" 1
457 1 16 GLU HA 1 17 GLU QB . . 4.600 4.132 3.755 4.361 . 0 0 "[ . 1 . 2]" 1
458 1 16 GLU HA 1 18 ALA H . . 5.000 4.683 4.380 5.002 0.002 10 0 "[ . 1 . 2]" 1
459 1 16 GLU HB2 1 16 GLU QG . . 2.400 2.277 2.139 2.426 0.026 1 0 "[ . 1 . 2]" 1
460 1 16 GLU HB2 1 17 GLU HA . . 5.500 5.275 4.873 5.507 0.007 6 0 "[ . 1 . 2]" 1
461 1 16 GLU HB2 1 18 ALA H . . 4.430 3.296 2.703 3.957 . 0 0 "[ . 1 . 2]" 1
462 1 16 GLU HB3 1 17 GLU H . . 4.980 4.329 3.983 4.531 . 0 0 "[ . 1 . 2]" 1
463 1 16 GLU QG 1 18 ALA H . . 5.500 4.923 4.494 5.374 . 0 0 "[ . 1 . 2]" 1
464 1 17 GLU H 1 17 GLU QB . . 3.550 3.282 2.968 3.418 . 0 0 "[ . 1 . 2]" 1
465 1 17 GLU H 1 17 GLU QG . . 3.500 2.879 2.564 3.442 . 0 0 "[ . 1 . 2]" 1
466 1 17 GLU H 1 18 ALA H . . 3.050 2.762 2.659 2.901 . 0 0 "[ . 1 . 2]" 1
467 1 17 GLU HA 1 17 GLU QG . . 2.620 2.403 2.179 2.571 . 0 0 "[ . 1 . 2]" 1
468 1 17 GLU HA 1 18 ALA HA . . 5.030 4.513 4.438 4.600 . 0 0 "[ . 1 . 2]" 1
469 1 17 GLU HA 1 18 ALA MB . . 4.690 4.600 4.484 4.680 . 0 0 "[ . 1 . 2]" 1
470 1 17 GLU QB 1 18 ALA H . . 3.980 3.830 3.724 3.895 . 0 0 "[ . 1 . 2]" 1
471 1 17 GLU QB 1 18 ALA HA . . 4.490 4.252 4.167 4.279 . 0 0 "[ . 1 . 2]" 1
472 1 17 GLU QG 1 18 ALA H . . 5.340 4.553 4.414 4.845 . 0 0 "[ . 1 . 2]" 1
473 1 18 ALA H 1 18 ALA MB . . 3.140 2.313 2.145 2.473 . 0 0 "[ . 1 . 2]" 1
474 1 18 ALA HA 1 19 ALA MB . . 4.190 4.025 3.730 4.195 0.005 13 0 "[ . 1 . 2]" 1
475 1 18 ALA MB 1 19 ALA H . . 4.420 2.746 2.088 3.719 . 0 0 "[ . 1 . 2]" 1
476 1 19 ALA H 1 19 ALA MB . . 2.930 2.355 2.025 2.879 . 0 0 "[ . 1 . 2]" 1
477 1 19 ALA H 1 20 ARG H . . 5.190 4.060 2.980 4.424 . 0 0 "[ . 1 . 2]" 1
478 1 19 ALA HA 1 20 ARG H . . 3.280 2.196 2.141 2.512 . 0 0 "[ . 1 . 2]" 1
479 1 19 ALA HA 1 20 ARG HB2 . . 4.550 4.371 4.288 4.512 . 0 0 "[ . 1 . 2]" 1
480 1 19 ALA HA 1 21 GLU H . . 4.430 3.705 3.434 4.046 . 0 0 "[ . 1 . 2]" 1
481 1 19 ALA MB 1 20 ARG H . . 3.720 3.443 3.294 3.716 . 0 0 "[ . 1 . 2]" 1
482 1 19 ALA MB 1 20 ARG HA . . 4.570 4.309 4.174 4.445 . 0 0 "[ . 1 . 2]" 1
483 1 19 ALA MB 1 20 ARG HB2 . . 5.390 5.221 5.121 5.381 . 0 0 "[ . 1 . 2]" 1
484 1 19 ALA MB 1 21 GLU H . . 4.620 3.940 3.519 4.327 . 0 0 "[ . 1 . 2]" 1
485 1 19 ALA MB 1 22 ILE MD . . 3.380 2.668 2.161 3.351 . 0 0 "[ . 1 . 2]" 1
486 1 20 ARG H 1 20 ARG QD . . 5.340 4.374 4.140 4.828 . 0 0 "[ . 1 . 2]" 1
487 1 20 ARG H 1 20 ARG HG2 . . 4.780 4.109 3.520 4.719 . 0 0 "[ . 1 . 2]" 1
488 1 20 ARG H 1 20 ARG QG . . 4.080 3.355 2.735 4.049 . 0 0 "[ . 1 . 2]" 1
489 1 20 ARG H 1 20 ARG HG3 . . 4.780 3.589 2.840 4.409 . 0 0 "[ . 1 . 2]" 1
490 1 20 ARG H 1 21 GLU H . . 3.780 2.359 2.115 2.723 . 0 0 "[ . 1 . 2]" 1
491 1 20 ARG HA 1 20 ARG HD2 . . 4.930 4.360 3.793 4.709 . 0 0 "[ . 1 . 2]" 1
492 1 20 ARG HA 1 20 ARG QD . . 4.210 3.828 3.282 4.062 . 0 0 "[ . 1 . 2]" 1
493 1 20 ARG HA 1 20 ARG HD3 . . 4.930 4.329 3.456 4.589 . 0 0 "[ . 1 . 2]" 1
494 1 20 ARG HA 1 20 ARG HG2 . . 3.610 2.532 2.146 3.205 . 0 0 "[ . 1 . 2]" 1
495 1 20 ARG HA 1 20 ARG QG . . 3.110 2.172 2.107 2.285 . 0 0 "[ . 1 . 2]" 1
496 1 20 ARG HA 1 20 ARG HG3 . . 3.610 2.809 2.137 3.581 . 0 0 "[ . 1 . 2]" 1
497 1 20 ARG HA 1 21 GLU QB . . 5.300 4.723 4.442 5.070 . 0 0 "[ . 1 . 2]" 1
498 1 20 ARG HB2 1 20 ARG QD . . 3.380 2.526 2.135 3.220 . 0 0 "[ . 1 . 2]" 1
499 1 20 ARG HB2 1 21 GLU H . . 3.750 3.103 2.604 3.752 0.002 2 0 "[ . 1 . 2]" 1
500 1 20 ARG HB3 1 20 ARG HD2 . . 4.100 3.328 2.127 3.666 . 0 0 "[ . 1 . 2]" 1
501 1 20 ARG HB3 1 20 ARG QD . . 3.460 2.415 2.064 2.757 . 0 0 "[ . 1 . 2]" 1
502 1 20 ARG HB3 1 20 ARG HD3 . . 4.100 2.548 2.082 3.337 . 0 0 "[ . 1 . 2]" 1
503 1 20 ARG HB3 1 21 GLU HA . . 5.060 4.651 4.430 4.982 . 0 0 "[ . 1 . 2]" 1
504 1 20 ARG HB3 1 21 GLU QB . . 3.620 3.399 3.131 3.623 0.003 19 0 "[ . 1 . 2]" 1
505 1 20 ARG QD 1 20 ARG QG . . 2.180 2.055 2.012 2.090 . 0 0 "[ . 1 . 2]" 1
506 1 20 ARG QD 1 21 GLU QB . . 5.180 4.948 4.281 5.181 0.001 5 0 "[ . 1 . 2]" 1
507 1 20 ARG QG 1 21 GLU H . . 4.890 4.299 3.982 4.450 . 0 0 "[ . 1 . 2]" 1
508 1 21 GLU H 1 21 GLU HG2 . . 5.500 4.746 3.755 5.226 . 0 0 "[ . 1 . 2]" 1
509 1 21 GLU H 1 21 GLU QG . . 4.820 4.117 3.582 4.397 . 0 0 "[ . 1 . 2]" 1
510 1 21 GLU H 1 21 GLU HG3 . . 5.500 4.601 3.993 5.116 . 0 0 "[ . 1 . 2]" 1
511 1 21 GLU HA 1 21 GLU QG . . 3.680 2.495 2.158 3.020 . 0 0 "[ . 1 . 2]" 1
512 1 21 GLU QB 1 55 PHE QE . . 4.490 2.037 1.933 2.325 . 0 0 "[ . 1 . 2]" 1
513 1 21 GLU HB2 1 55 PHE QE . . 5.120 3.304 2.203 3.911 . 0 0 "[ . 1 . 2]" 1
514 1 21 GLU HB3 1 55 PHE QE . . 5.120 2.095 1.995 2.346 . 0 0 "[ . 1 . 2]" 1
515 1 22 ILE H 1 22 ILE MD . . 4.410 3.937 2.881 4.300 . 0 0 "[ . 1 . 2]" 1
516 1 22 ILE H 1 22 ILE MG . . 4.030 3.923 3.860 3.965 . 0 0 "[ . 1 . 2]" 1
517 1 22 ILE H 1 55 PHE QE . . 4.590 3.817 3.420 4.266 . 0 0 "[ . 1 . 2]" 1
518 1 22 ILE H 1 55 PHE HZ . . 5.450 4.876 4.611 5.128 . 0 0 "[ . 1 . 2]" 1
519 1 22 ILE HA 1 22 ILE MD . . 3.940 3.209 1.972 3.878 . 0 0 "[ . 1 . 2]" 1
520 1 22 ILE HB 1 22 ILE MD . . 3.610 2.661 2.180 3.230 . 0 0 "[ . 1 . 2]" 1
521 1 22 ILE MD 1 22 ILE MG . . 3.010 2.053 1.919 2.932 . 0 0 "[ . 1 . 2]" 1
522 1 22 ILE QG 1 22 ILE MG . . 3.170 2.281 2.052 2.337 . 0 0 "[ . 1 . 2]" 1
523 1 23 ARG QB 1 54 LEU MD1 . . 4.430 3.003 2.527 3.387 . 0 0 "[ . 1 . 2]" 1
524 1 23 ARG QB 1 54 LEU MD2 . . 4.140 3.028 2.625 3.497 . 0 0 "[ . 1 . 2]" 1
525 1 23 ARG HB2 1 54 LEU HB3 . . 4.170 3.474 2.761 4.168 . 0 0 "[ . 1 . 2]" 1
526 1 23 ARG HB3 1 54 LEU HB3 . . 4.170 3.022 2.635 3.603 . 0 0 "[ . 1 . 2]" 1
527 1 23 ARG QG 1 54 LEU MD2 . . 3.320 2.537 1.924 3.325 0.005 19 0 "[ . 1 . 2]" 1
528 1 24 ARG H 1 24 ARG QB . . 3.310 3.065 2.696 3.249 . 0 0 "[ . 1 . 2]" 1
529 1 24 ARG H 1 24 ARG HG2 . . 5.250 2.474 1.947 4.499 . 0 0 "[ . 1 . 2]" 1
530 1 24 ARG H 1 24 ARG QG . . 4.630 2.315 1.937 3.169 . 0 0 "[ . 1 . 2]" 1
531 1 24 ARG H 1 24 ARG HG3 . . 5.250 3.516 3.027 4.063 . 0 0 "[ . 1 . 2]" 1
532 1 24 ARG HA 1 24 ARG QD . . 5.080 4.111 3.653 4.360 . 0 0 "[ . 1 . 2]" 1
533 1 24 ARG HA 1 24 ARG QG . . 3.670 3.269 2.465 3.417 . 0 0 "[ . 1 . 2]" 1
534 1 24 ARG HA 1 25 PHE H . . 3.420 2.321 2.164 2.430 . 0 0 "[ . 1 . 2]" 1
535 1 24 ARG HA 1 25 PHE QD . . 5.040 3.363 3.032 3.897 . 0 0 "[ . 1 . 2]" 1
536 1 24 ARG QB 1 24 ARG QD . . 3.300 2.110 2.006 2.389 . 0 0 "[ . 1 . 2]" 1
537 1 24 ARG QB 1 25 PHE H . . 4.080 2.607 2.359 3.100 . 0 0 "[ . 1 . 2]" 1
538 1 24 ARG HB2 1 24 ARG QD . . 3.850 2.743 2.306 3.184 . 0 0 "[ . 1 . 2]" 1
539 1 24 ARG HB3 1 24 ARG QD . . 3.850 2.264 2.040 3.167 . 0 0 "[ . 1 . 2]" 1
540 1 24 ARG QD 1 94 ILE MG . . 4.860 4.662 3.918 4.863 0.003 13 0 "[ . 1 . 2]" 1
541 1 25 PHE H 1 25 PHE QD . . 4.410 2.918 2.457 3.274 . 0 0 "[ . 1 . 2]" 1
542 1 25 PHE HA 1 25 PHE QD . . 4.280 3.721 3.705 3.729 . 0 0 "[ . 1 . 2]" 1
543 1 25 PHE HA 1 26 SER H . . 3.550 2.378 2.239 2.481 . 0 0 "[ . 1 . 2]" 1
544 1 25 PHE HA 1 26 SER HA . . 4.620 4.323 4.310 4.338 . 0 0 "[ . 1 . 2]" 1
545 1 25 PHE HA 1 26 SER QB . . 4.760 4.392 4.062 4.762 0.002 7 0 "[ . 1 . 2]" 1
546 1 25 PHE HA 1 54 LEU MD1 . . 5.230 4.874 4.074 5.179 . 0 0 "[ . 1 . 2]" 1
547 1 25 PHE HB2 1 26 SER H . . 5.150 2.526 2.319 2.903 . 0 0 "[ . 1 . 2]" 1
548 1 25 PHE HB2 1 26 SER QB . . 5.340 4.705 4.245 5.165 . 0 0 "[ . 1 . 2]" 1
549 1 25 PHE HB3 1 26 SER H . . 4.620 3.841 3.708 4.106 . 0 0 "[ . 1 . 2]" 1
550 1 25 PHE HB3 1 54 LEU MD1 . . 4.130 2.893 1.986 3.292 . 0 0 "[ . 1 . 2]" 1
551 1 25 PHE HB3 1 54 LEU MD2 . . 3.870 3.384 2.999 3.675 . 0 0 "[ . 1 . 2]" 1
552 1 25 PHE QD 1 54 LEU MD1 . . 4.110 2.151 1.927 2.584 . 0 0 "[ . 1 . 2]" 1
553 1 25 PHE QD 1 54 LEU MD2 . . 4.290 3.744 3.367 4.277 . 0 0 "[ . 1 . 2]" 1
554 1 25 PHE QE 1 47 LEU HA . . 4.420 3.773 3.371 4.063 . 0 0 "[ . 1 . 2]" 1
555 1 25 PHE QE 1 47 LEU QD . . 3.010 2.624 2.025 2.998 . 0 0 "[ . 1 . 2]" 1
556 1 25 PHE QE 1 50 ARG H . . 5.350 5.013 4.748 5.299 . 0 0 "[ . 1 . 2]" 1
557 1 25 PHE QE 1 50 ARG QD . . 5.260 4.654 4.090 5.108 . 0 0 "[ . 1 . 2]" 1
558 1 25 PHE QE 1 50 ARG HG2 . . 4.860 3.910 3.708 4.298 . 0 0 "[ . 1 . 2]" 1
559 1 25 PHE QE 1 51 VAL H . . 4.490 4.129 3.682 4.508 0.018 19 0 "[ . 1 . 2]" 1
560 1 25 PHE QE 1 51 VAL MG2 . . 3.530 3.049 2.700 3.473 . 0 0 "[ . 1 . 2]" 1
561 1 25 PHE QE 1 54 LEU MD1 . . 4.420 2.930 2.423 3.796 . 0 0 "[ . 1 . 2]" 1
562 1 26 SER HA 1 27 PHE H . . 3.210 2.144 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
563 1 26 SER HA 1 27 PHE HB2 . . 5.240 4.487 4.304 4.622 . 0 0 "[ . 1 . 2]" 1
564 1 26 SER HA 1 27 PHE HB3 . . 5.000 4.689 4.597 4.815 . 0 0 "[ . 1 . 2]" 1
565 1 26 SER QB 1 27 PHE H . . 3.830 3.350 3.034 3.782 . 0 0 "[ . 1 . 2]" 1
566 1 27 PHE H 1 27 PHE HB3 . . 3.530 2.642 2.528 2.799 . 0 0 "[ . 1 . 2]" 1
567 1 27 PHE H 1 27 PHE QD . . 4.450 4.296 4.250 4.367 . 0 0 "[ . 1 . 2]" 1
568 1 27 PHE H 1 28 CYS H . . 4.710 4.514 4.398 4.562 . 0 0 "[ . 1 . 2]" 1
569 1 27 PHE HA 1 27 PHE QD . . 3.910 2.541 2.344 2.976 . 0 0 "[ . 1 . 2]" 1
570 1 27 PHE HA 1 28 CYS QB . . 4.500 4.188 3.975 4.503 0.003 7 0 "[ . 1 . 2]" 1
571 1 27 PHE HB2 1 28 CYS H . . 5.230 3.985 3.915 4.205 . 0 0 "[ . 1 . 2]" 1
572 1 27 PHE HB3 1 28 CYS H . . 3.930 3.715 3.442 3.993 0.063 19 0 "[ . 1 . 2]" 1
573 1 27 PHE QD 1 28 CYS H . . 4.770 3.019 2.798 3.338 . 0 0 "[ . 1 . 2]" 1
574 1 27 PHE QD 1 29 PHE H . . 5.310 5.085 4.402 5.317 0.007 15 0 "[ . 1 . 2]" 1
575 1 27 PHE QE 1 29 PHE HA . . 4.760 4.168 3.175 4.768 0.008 7 0 "[ . 1 . 2]" 1
576 1 27 PHE QE 1 47 LEU H . . 4.200 3.967 2.861 4.201 0.001 17 0 "[ . 1 . 2]" 1
577 1 27 PHE QE 1 47 LEU HA . . 4.690 4.099 2.245 4.625 . 0 0 "[ . 1 . 2]" 1
578 1 27 PHE QE 1 47 LEU HB2 . . 5.360 3.948 2.189 4.588 . 0 0 "[ . 1 . 2]" 1
579 1 27 PHE QE 1 47 LEU HB3 . . 5.470 5.022 3.520 5.469 . 0 0 "[ . 1 . 2]" 1
580 1 27 PHE QE 1 87 MET ME . . 4.240 3.072 2.122 4.174 . 0 0 "[ . 1 . 2]" 1
581 1 28 CYS H 1 28 CYS QB . . 3.640 2.275 2.114 2.688 . 0 0 "[ . 1 . 2]" 1
582 1 28 CYS H 1 29 PHE H . . 4.820 4.564 4.481 4.607 . 0 0 "[ . 1 . 2]" 1
583 1 28 CYS QB 1 29 PHE H . . 3.350 3.048 2.859 3.324 . 0 0 "[ . 1 . 2]" 1
584 1 28 CYS QB 1 30 SER H . . 4.690 2.316 2.141 2.688 . 0 0 "[ . 1 . 2]" 1
585 1 29 PHE H 1 29 PHE HB2 . . 3.650 2.597 2.311 3.639 . 0 0 "[ . 1 . 2]" 1
586 1 29 PHE H 1 29 PHE HB3 . . 3.650 2.695 2.409 3.032 . 0 0 "[ . 1 . 2]" 1
587 1 29 PHE H 1 29 PHE QD . . 4.320 3.976 2.306 4.215 . 0 0 "[ . 1 . 2]" 1
588 1 29 PHE H 1 30 SER H . . 2.660 2.571 2.375 2.693 0.033 10 0 "[ . 1 . 2]" 1
589 1 29 PHE H 1 30 SER QB . . 5.000 4.482 4.287 4.835 . 0 0 "[ . 1 . 2]" 1
590 1 29 PHE HA 1 29 PHE QD . . 4.230 2.559 2.003 3.698 . 0 0 "[ . 1 . 2]" 1
591 1 29 PHE HA 1 30 SER H . . 3.480 3.235 3.014 3.438 . 0 0 "[ . 1 . 2]" 1
592 1 30 SER H 1 30 SER QB . . 3.440 2.293 2.074 2.838 . 0 0 "[ . 1 . 2]" 1
593 1 30 SER HA 1 31 PRO HD2 . . 3.360 2.510 2.505 2.525 . 0 0 "[ . 1 . 2]" 1
594 1 30 SER HA 1 31 PRO HD3 . . 3.250 2.346 2.344 2.354 . 0 0 "[ . 1 . 2]" 1
595 1 30 SER HA 1 31 PRO QG . . 4.430 4.072 4.069 4.082 . 0 0 "[ . 1 . 2]" 1
596 1 30 SER QB 1 31 PRO HA . . 4.680 4.491 4.476 4.535 . 0 0 "[ . 1 . 2]" 1
597 1 30 SER QB 1 31 PRO QG . . 4.560 3.484 3.427 3.641 . 0 0 "[ . 1 . 2]" 1
598 1 30 SER QB 1 32 GLU H . . 3.380 2.824 2.699 2.880 . 0 0 "[ . 1 . 2]" 1
599 1 30 SER QB 1 32 GLU QG . . 5.340 5.356 5.338 5.390 0.050 20 0 "[ . 1 . 2]" 1
600 1 30 SER HB2 1 31 PRO HD2 . . 4.720 3.294 2.005 3.654 . 0 0 "[ . 1 . 2]" 1
601 1 30 SER HB3 1 31 PRO HD2 . . 4.720 2.179 2.014 2.773 . 0 0 "[ . 1 . 2]" 1
602 1 31 PRO HA 1 32 GLU QG . . 4.310 3.866 3.752 4.236 . 0 0 "[ . 1 . 2]" 1
603 1 31 PRO QB 1 32 GLU H . . 3.860 2.886 2.843 2.983 . 0 0 "[ . 1 . 2]" 1
604 1 31 PRO HB2 1 32 GLU H . . 4.630 2.969 2.921 3.079 . 0 0 "[ . 1 . 2]" 1
605 1 31 PRO HB3 1 32 GLU H . . 4.630 3.930 3.902 3.993 . 0 0 "[ . 1 . 2]" 1
606 1 31 PRO HD2 1 32 GLU H . . 3.120 2.725 2.684 2.746 . 0 0 "[ . 1 . 2]" 1
607 1 31 PRO HD3 1 32 GLU H . . 4.020 3.862 3.847 3.870 . 0 0 "[ . 1 . 2]" 1
608 1 31 PRO QG 1 32 GLU H . . 4.690 1.971 1.928 2.071 . 0 0 "[ . 1 . 2]" 1
609 1 32 GLU H 1 32 GLU QB . . 2.840 2.811 2.610 2.872 0.032 20 0 "[ . 1 . 2]" 1
610 1 32 GLU H 1 32 GLU QG . . 3.100 3.095 3.002 3.138 0.038 7 0 "[ . 1 . 2]" 1
611 1 32 GLU H 1 33 PRO HD2 . . 4.820 4.807 4.804 4.812 . 0 0 "[ . 1 . 2]" 1
612 1 32 GLU HA 1 32 GLU QG . . 3.270 2.458 2.369 2.513 . 0 0 "[ . 1 . 2]" 1
613 1 32 GLU HA 1 33 PRO HD2 . . 3.020 2.401 2.390 2.415 . 0 0 "[ . 1 . 2]" 1
614 1 32 GLU HA 1 33 PRO HD3 . . 2.830 2.298 2.294 2.304 . 0 0 "[ . 1 . 2]" 1
615 1 32 GLU QB 1 32 GLU QG . . 2.390 2.081 2.027 2.087 . 0 0 "[ . 1 . 2]" 1
616 1 32 GLU QB 1 33 PRO HD2 . . 3.440 1.961 1.954 1.973 . 0 0 "[ . 1 . 2]" 1
617 1 32 GLU QB 1 33 PRO HD3 . . 4.220 3.333 3.322 3.345 . 0 0 "[ . 1 . 2]" 1
618 1 32 GLU HB2 1 33 PRO HD2 . . 3.920 3.528 3.488 3.573 . 0 0 "[ . 1 . 2]" 1
619 1 32 GLU HB3 1 33 PRO HD2 . . 3.920 1.971 1.964 1.983 . 0 0 "[ . 1 . 2]" 1
620 1 32 GLU QG 1 33 PRO HD2 . . 4.060 3.372 3.163 3.603 . 0 0 "[ . 1 . 2]" 1
621 1 32 GLU QG 1 33 PRO HD3 . . 4.180 4.083 3.938 4.218 0.038 7 0 "[ . 1 . 2]" 1
622 1 33 PRO QB 1 34 GLU H . . 4.080 3.048 2.849 3.460 . 0 0 "[ . 1 . 2]" 1
623 1 33 PRO QB 1 46 ARG QD . . 3.350 2.601 1.949 3.352 0.002 16 0 "[ . 1 . 2]" 1
624 1 33 PRO QB 1 46 ARG QG . . 3.760 2.832 2.043 3.674 . 0 0 "[ . 1 . 2]" 1
625 1 33 PRO HD2 1 34 GLU H . . 3.670 2.703 2.647 2.743 . 0 0 "[ . 1 . 2]" 1
626 1 33 PRO HD2 1 42 GLY HA2 . . 4.450 2.933 2.251 3.857 . 0 0 "[ . 1 . 2]" 1
627 1 33 PRO HD2 1 42 GLY HA3 . . 4.440 2.716 1.998 4.296 . 0 0 "[ . 1 . 2]" 1
628 1 33 PRO HD3 1 34 GLU H . . 3.910 3.858 3.836 3.886 . 0 0 "[ . 1 . 2]" 1
629 1 33 PRO HD3 1 42 GLY HA2 . . 4.730 3.371 1.995 4.408 . 0 0 "[ . 1 . 2]" 1
630 1 33 PRO HD3 1 42 GLY HA3 . . 4.690 3.162 2.124 4.377 . 0 0 "[ . 1 . 2]" 1
631 1 33 PRO QG 1 34 GLU H . . 4.460 2.176 1.934 2.755 . 0 0 "[ . 1 . 2]" 1
632 1 33 PRO QG 1 42 GLY HA3 . . 5.180 3.637 2.287 4.884 . 0 0 "[ . 1 . 2]" 1
633 1 33 PRO QG 1 46 ARG QD . . 4.340 2.950 1.943 3.851 . 0 0 "[ . 1 . 2]" 1
634 1 33 PRO QG 1 46 ARG QG . . 3.350 2.603 1.910 3.355 0.005 10 0 "[ . 1 . 2]" 1
635 1 33 PRO HG2 1 34 GLU H . . 5.150 2.192 1.942 2.794 . 0 0 "[ . 1 . 2]" 1
636 1 33 PRO HG2 1 42 GLY HA2 . . 4.630 3.440 2.350 4.637 0.007 16 0 "[ . 1 . 2]" 1
637 1 33 PRO HG3 1 34 GLU H . . 5.150 3.749 3.561 4.198 . 0 0 "[ . 1 . 2]" 1
638 1 33 PRO HG3 1 42 GLY HA2 . . 4.630 3.111 1.992 4.561 . 0 0 "[ . 1 . 2]" 1
639 1 34 GLU H 1 34 GLU HB2 . . 3.830 2.804 2.076 3.652 . 0 0 "[ . 1 . 2]" 1
640 1 34 GLU H 1 34 GLU QB . . 3.050 2.531 2.057 2.898 . 0 0 "[ . 1 . 2]" 1
641 1 34 GLU H 1 34 GLU HB3 . . 3.830 3.218 2.451 3.865 0.035 9 0 "[ . 1 . 2]" 1
642 1 34 GLU H 1 34 GLU QG . . 4.580 3.563 1.931 4.469 . 0 0 "[ . 1 . 2]" 1
643 1 34 GLU H 1 35 ALA H . . 4.590 4.461 4.335 4.637 0.047 19 0 "[ . 1 . 2]" 1
644 1 34 GLU HA 1 34 GLU QG . . 3.180 2.816 2.224 3.352 0.172 7 0 "[ . 1 . 2]" 1
645 1 34 GLU HA 1 35 ALA H . . 3.550 2.428 2.142 2.717 . 0 0 "[ . 1 . 2]" 1
646 1 34 GLU HA 1 35 ALA MB . . 4.500 3.941 3.844 4.089 . 0 0 "[ . 1 . 2]" 1
647 1 34 GLU QB 1 35 ALA H . . 3.850 2.784 1.919 3.674 . 0 0 "[ . 1 . 2]" 1
648 1 34 GLU QB 1 37 ALA HA . . 5.340 4.268 2.569 5.229 . 0 0 "[ . 1 . 2]" 1
649 1 34 GLU QB 1 37 ALA MB . . 4.280 2.720 1.912 4.186 . 0 0 "[ . 1 . 2]" 1
650 1 34 GLU QB 1 38 ALA H . . 3.680 2.308 1.863 3.406 . 0 0 "[ . 1 . 2]" 1
651 1 34 GLU QB 1 38 ALA HA . . 4.100 3.753 2.347 4.105 0.005 9 0 "[ . 1 . 2]" 1
652 1 34 GLU QB 1 38 ALA MB . . 4.680 2.434 1.895 3.903 . 0 0 "[ . 1 . 2]" 1
653 1 34 GLU HB2 1 35 ALA H . . 4.380 3.692 2.884 4.378 . 0 0 "[ . 1 . 2]" 1
654 1 34 GLU HB2 1 37 ALA MB . . 5.080 3.419 2.588 5.086 0.006 19 0 "[ . 1 . 2]" 1
655 1 34 GLU HB2 1 38 ALA H . . 4.240 3.103 1.946 4.200 . 0 0 "[ . 1 . 2]" 1
656 1 34 GLU HB2 1 38 ALA MB . . 5.310 3.045 1.908 4.429 . 0 0 "[ . 1 . 2]" 1
657 1 34 GLU HB3 1 35 ALA H . . 4.380 2.988 1.948 4.323 . 0 0 "[ . 1 . 2]" 1
658 1 34 GLU HB3 1 37 ALA MB . . 5.080 2.943 1.964 5.099 0.019 7 0 "[ . 1 . 2]" 1
659 1 34 GLU HB3 1 38 ALA H . . 4.240 2.664 1.978 4.248 0.008 18 0 "[ . 1 . 2]" 1
660 1 34 GLU HB3 1 38 ALA MB . . 5.310 3.135 2.024 4.993 . 0 0 "[ . 1 . 2]" 1
661 1 34 GLU QG 1 35 ALA H . . 4.760 3.100 1.933 4.400 . 0 0 "[ . 1 . 2]" 1
662 1 34 GLU QG 1 37 ALA H . . 4.860 3.007 1.876 4.557 . 0 0 "[ . 1 . 2]" 1
663 1 34 GLU QG 1 37 ALA HA . . 5.340 4.289 1.986 5.302 . 0 0 "[ . 1 . 2]" 1
664 1 34 GLU QG 1 37 ALA MB . . 4.150 2.574 1.893 4.172 0.022 19 0 "[ . 1 . 2]" 1
665 1 34 GLU QG 1 38 ALA H . . 3.040 2.959 1.941 3.078 0.038 19 0 "[ . 1 . 2]" 1
666 1 34 GLU QG 1 38 ALA HA . . 5.340 4.317 2.005 5.344 0.004 20 0 "[ . 1 . 2]" 1
667 1 34 GLU QG 1 38 ALA MB . . 4.330 3.381 1.934 4.093 . 0 0 "[ . 1 . 2]" 1
668 1 34 GLU HG2 1 35 ALA H . . 5.500 4.040 2.310 4.948 . 0 0 "[ . 1 . 2]" 1
669 1 34 GLU HG3 1 35 ALA H . . 5.500 3.367 1.941 5.022 . 0 0 "[ . 1 . 2]" 1
670 1 35 ALA H 1 35 ALA MB . . 3.570 2.345 2.126 2.542 . 0 0 "[ . 1 . 2]" 1
671 1 35 ALA MB 1 36 GLU H . . 3.130 2.744 2.178 3.138 0.008 16 0 "[ . 1 . 2]" 1
672 1 35 ALA MB 1 36 GLU HA . . 4.810 3.984 3.750 4.203 . 0 0 "[ . 1 . 2]" 1
673 1 35 ALA MB 1 36 GLU QG . . 4.530 3.082 2.652 3.807 . 0 0 "[ . 1 . 2]" 1
674 1 36 GLU H 1 36 GLU HB2 . . 2.760 2.436 2.172 2.645 . 0 0 "[ . 1 . 2]" 1
675 1 36 GLU H 1 36 GLU HB3 . . 3.770 3.630 3.444 3.774 0.004 19 0 "[ . 1 . 2]" 1
676 1 36 GLU H 1 36 GLU QG . . 3.170 2.997 2.044 3.190 0.020 10 0 "[ . 1 . 2]" 1
677 1 36 GLU H 1 37 ALA H . . 2.850 2.296 1.891 2.778 . 0 0 "[ . 1 . 2]" 1
678 1 36 GLU HA 1 36 GLU HG2 . . 3.550 2.630 2.253 3.531 . 0 0 "[ . 1 . 2]" 1
679 1 36 GLU HA 1 36 GLU QG . . 2.730 2.440 2.192 2.747 0.017 10 0 "[ . 1 . 2]" 1
680 1 36 GLU HA 1 36 GLU HG3 . . 3.550 3.040 2.426 3.623 0.073 10 0 "[ . 1 . 2]" 1
681 1 36 GLU HB2 1 37 ALA H . . 2.980 2.497 2.006 2.975 . 0 0 "[ . 1 . 2]" 1
682 1 36 GLU HB3 1 37 ALA H . . 3.540 3.261 2.722 3.567 0.027 9 0 "[ . 1 . 2]" 1
683 1 36 GLU HB3 1 37 ALA HA . . 5.500 4.345 3.836 5.083 . 0 0 "[ . 1 . 2]" 1
684 1 37 ALA MB 1 38 ALA H . . 3.380 2.554 1.920 3.426 0.046 16 0 "[ . 1 . 2]" 1
685 1 38 ALA H 1 38 ALA MB . . 3.580 2.217 2.026 2.815 . 0 0 "[ . 1 . 2]" 1
686 1 38 ALA HA 1 39 ALA H . . 3.260 2.441 2.141 3.551 0.291 20 0 "[ . 1 . 2]" 1
687 1 38 ALA MB 1 39 ALA H . . 3.980 2.788 1.924 3.611 . 0 0 "[ . 1 . 2]" 1
688 1 38 ALA MB 1 40 GLY H . . 5.070 3.388 2.662 5.323 0.253 16 0 "[ . 1 . 2]" 1
689 1 39 ALA HA 1 40 GLY H . . 2.740 2.679 2.251 2.863 0.123 7 0 "[ . 1 . 2]" 1
690 1 39 ALA MB 1 40 GLY H . . 5.250 3.467 2.060 3.724 . 0 0 "[ . 1 . 2]" 1
691 1 39 ALA MB 1 40 GLY HA2 . . 4.960 4.739 4.155 4.915 . 0 0 "[ . 1 . 2]" 1
692 1 39 ALA MB 1 40 GLY HA3 . . 5.380 4.127 3.779 4.200 . 0 0 "[ . 1 . 2]" 1
693 1 40 GLY H 1 40 GLY HA3 . . 2.950 2.855 2.298 2.956 0.006 18 0 "[ . 1 . 2]" 1
694 1 40 GLY H 1 41 PRO QD . . 3.130 2.978 2.352 3.184 0.054 7 0 "[ . 1 . 2]" 1
695 1 40 GLY HA2 1 41 PRO QD . . 3.480 3.452 3.442 3.466 . 0 0 "[ . 1 . 2]" 1
696 1 40 GLY HA3 1 41 PRO HA . . 4.480 4.378 4.377 4.380 . 0 0 "[ . 1 . 2]" 1
697 1 40 GLY HA3 1 41 PRO HB3 . . 5.040 4.877 4.864 4.909 . 0 0 "[ . 1 . 2]" 1
698 1 40 GLY HA3 1 41 PRO QD . . 3.090 2.187 2.156 2.257 . 0 0 "[ . 1 . 2]" 1
699 1 40 GLY HA3 1 41 PRO HG2 . . 5.330 4.643 4.603 4.729 . 0 0 "[ . 1 . 2]" 1
700 1 40 GLY HA3 1 41 PRO QG . . 4.450 4.105 4.072 4.177 . 0 0 "[ . 1 . 2]" 1
701 1 40 GLY HA3 1 41 PRO HG3 . . 5.330 4.575 4.541 4.650 . 0 0 "[ . 1 . 2]" 1
702 1 41 PRO HA 1 42 GLY H . . 2.860 2.601 2.509 2.659 . 0 0 "[ . 1 . 2]" 1
703 1 41 PRO HA 1 42 GLY HA2 . . 5.270 4.663 4.526 4.733 . 0 0 "[ . 1 . 2]" 1
704 1 41 PRO HA 1 42 GLY HA3 . . 4.800 4.323 4.313 4.339 . 0 0 "[ . 1 . 2]" 1
705 1 41 PRO HA 1 44 CYS QB . . 4.990 4.295 3.922 4.981 . 0 0 "[ . 1 . 2]" 1
706 1 41 PRO HB2 1 42 GLY H . . 4.270 2.162 2.039 2.366 . 0 0 "[ . 1 . 2]" 1
707 1 41 PRO HB2 1 43 PRO QD . . 4.930 4.379 4.226 4.608 . 0 0 "[ . 1 . 2]" 1
708 1 41 PRO HB2 1 44 CYS HB2 . . 5.500 5.383 4.537 5.512 0.012 9 0 "[ . 1 . 2]" 1
709 1 41 PRO HB2 1 44 CYS QB . . 4.700 3.725 2.824 4.700 . 0 0 "[ . 1 . 2]" 1
710 1 41 PRO HB2 1 44 CYS HB3 . . 5.500 3.821 2.852 5.378 . 0 0 "[ . 1 . 2]" 1
711 1 41 PRO HB3 1 42 GLY H . . 3.320 3.248 3.198 3.336 0.016 10 0 "[ . 1 . 2]" 1
712 1 41 PRO QG 1 42 GLY H . . 4.310 3.827 3.725 3.990 . 0 0 "[ . 1 . 2]" 1
713 1 41 PRO HG2 1 42 GLY H . . 4.890 4.041 3.925 4.225 . 0 0 "[ . 1 . 2]" 1
714 1 41 PRO HG3 1 42 GLY H . . 4.890 4.737 4.634 4.903 0.013 10 0 "[ . 1 . 2]" 1
715 1 42 GLY H 1 43 PRO QD . . 3.710 2.404 2.120 2.634 . 0 0 "[ . 1 . 2]" 1
716 1 42 GLY HA2 1 45 GLU H . . 4.800 4.545 4.376 4.677 . 0 0 "[ . 1 . 2]" 1
717 1 42 GLY HA3 1 43 PRO HA . . 4.550 4.378 4.377 4.379 . 0 0 "[ . 1 . 2]" 1
718 1 42 GLY HA3 1 43 PRO HD2 . . 3.620 2.563 2.487 2.649 . 0 0 "[ . 1 . 2]" 1
719 1 42 GLY HA3 1 43 PRO HD3 . . 3.620 2.376 2.335 2.428 . 0 0 "[ . 1 . 2]" 1
720 1 42 GLY HA3 1 43 PRO HG2 . . 5.500 4.645 4.581 4.717 . 0 0 "[ . 1 . 2]" 1
721 1 42 GLY HA3 1 43 PRO HG3 . . 5.500 4.577 4.525 4.639 . 0 0 "[ . 1 . 2]" 1
722 1 43 PRO HA 1 44 CYS HA . . 4.940 4.813 4.747 4.863 . 0 0 "[ . 1 . 2]" 1
723 1 43 PRO HA 1 45 GLU H . . 5.070 4.848 4.460 4.964 . 0 0 "[ . 1 . 2]" 1
724 1 43 PRO HA 1 46 ARG H . . 3.710 3.605 3.283 3.730 0.020 8 0 "[ . 1 . 2]" 1
725 1 43 PRO HA 1 46 ARG QB . . 3.850 2.444 1.981 2.716 . 0 0 "[ . 1 . 2]" 1
726 1 43 PRO HA 1 46 ARG QD . . 5.100 4.351 2.619 5.105 0.005 11 0 "[ . 1 . 2]" 1
727 1 43 PRO HA 1 46 ARG QG . . 5.010 3.666 3.031 4.312 . 0 0 "[ . 1 . 2]" 1
728 1 43 PRO HA 1 47 LEU H . . 4.850 3.919 3.471 4.413 . 0 0 "[ . 1 . 2]" 1
729 1 43 PRO HA 1 83 LEU QD . . 5.440 4.888 4.578 5.115 . 0 0 "[ . 1 . 2]" 1
730 1 43 PRO HB2 1 44 CYS H . . 3.450 3.092 2.925 3.368 . 0 0 "[ . 1 . 2]" 1
731 1 43 PRO HB2 1 44 CYS HA . . 4.160 3.990 3.928 4.091 . 0 0 "[ . 1 . 2]" 1
732 1 43 PRO HB2 1 44 CYS QB . . 5.340 4.449 4.286 4.713 . 0 0 "[ . 1 . 2]" 1
733 1 43 PRO HB2 1 83 LEU HB2 . . 4.400 3.443 2.970 3.834 . 0 0 "[ . 1 . 2]" 1
734 1 43 PRO HB2 1 83 LEU MD1 . . 4.290 3.584 2.896 4.130 . 0 0 "[ . 1 . 2]" 1
735 1 43 PRO HB2 1 83 LEU QD . . 3.580 3.260 2.801 3.509 . 0 0 "[ . 1 . 2]" 1
736 1 43 PRO HB2 1 83 LEU MD2 . . 4.290 3.803 3.618 4.031 . 0 0 "[ . 1 . 2]" 1
737 1 43 PRO HB2 1 83 LEU HG . . 2.700 2.362 1.988 2.705 0.005 14 0 "[ . 1 . 2]" 1
738 1 43 PRO QD 1 44 CYS H . . 3.550 2.645 2.602 2.689 . 0 0 "[ . 1 . 2]" 1
739 1 43 PRO QD 1 80 ASP HA . . 4.750 3.172 2.734 3.606 . 0 0 "[ . 1 . 2]" 1
740 1 43 PRO HD2 1 44 CYS H . . 4.060 2.695 2.647 2.743 . 0 0 "[ . 1 . 2]" 1
741 1 43 PRO HD3 1 44 CYS H . . 4.060 3.852 3.836 3.869 . 0 0 "[ . 1 . 2]" 1
742 1 43 PRO HG2 1 44 CYS H . . 3.050 2.109 1.942 2.411 . 0 0 "[ . 1 . 2]" 1
743 1 43 PRO HG2 1 44 CYS HA . . 4.650 4.179 4.113 4.262 . 0 0 "[ . 1 . 2]" 1
744 1 43 PRO HG2 1 80 ASP HA . . 3.330 2.145 1.987 2.387 . 0 0 "[ . 1 . 2]" 1
745 1 43 PRO HG2 1 80 ASP HB2 . . 5.500 3.197 2.654 4.060 . 0 0 "[ . 1 . 2]" 1
746 1 43 PRO HG2 1 80 ASP QB . . 4.830 2.815 2.368 3.484 . 0 0 "[ . 1 . 2]" 1
747 1 43 PRO HG2 1 80 ASP HB3 . . 5.500 3.330 2.531 4.784 . 0 0 "[ . 1 . 2]" 1
748 1 43 PRO HG2 1 83 LEU QD . . 3.360 3.095 2.772 3.366 0.006 17 0 "[ . 1 . 2]" 1
749 1 43 PRO HG2 1 83 LEU HG . . 4.390 2.956 2.118 3.597 . 0 0 "[ . 1 . 2]" 1
750 1 44 CYS H 1 44 CYS HB2 . . 4.130 2.665 2.568 3.580 . 0 0 "[ . 1 . 2]" 1
751 1 44 CYS H 1 44 CYS QB . . 3.510 2.264 2.239 2.629 . 0 0 "[ . 1 . 2]" 1
752 1 44 CYS H 1 44 CYS HB3 . . 4.130 2.459 2.403 2.705 . 0 0 "[ . 1 . 2]" 1
753 1 44 CYS H 1 45 GLU H . . 3.040 2.860 2.663 2.962 . 0 0 "[ . 1 . 2]" 1
754 1 44 CYS H 1 45 GLU HA . . 5.500 5.413 5.260 5.488 . 0 0 "[ . 1 . 2]" 1
755 1 44 CYS H 1 46 ARG H . . 4.440 3.979 3.704 4.456 0.016 18 0 "[ . 1 . 2]" 1
756 1 44 CYS H 1 47 LEU H . . 4.910 4.694 4.477 4.851 . 0 0 "[ . 1 . 2]" 1
757 1 44 CYS H 1 80 ASP HA . . 3.470 3.074 2.796 3.191 . 0 0 "[ . 1 . 2]" 1
758 1 44 CYS H 1 80 ASP QB . . 3.910 3.467 3.101 3.938 0.028 9 0 "[ . 1 . 2]" 1
759 1 44 CYS H 1 83 LEU QD . . 3.150 3.172 3.157 3.221 0.071 13 0 "[ . 1 . 2]" 1
760 1 44 CYS HA 1 44 CYS QB . . 2.310 2.312 2.177 2.335 0.025 12 0 "[ . 1 . 2]" 1
761 1 44 CYS HA 1 46 ARG H . . 5.500 4.290 4.031 4.792 . 0 0 "[ . 1 . 2]" 1
762 1 44 CYS HA 1 47 LEU H . . 3.920 3.620 3.339 3.916 . 0 0 "[ . 1 . 2]" 1
763 1 44 CYS HA 1 47 LEU HB2 . . 4.930 4.283 3.950 4.761 . 0 0 "[ . 1 . 2]" 1
764 1 44 CYS HA 1 47 LEU HB3 . . 4.360 2.916 2.691 3.385 . 0 0 "[ . 1 . 2]" 1
765 1 44 CYS HA 1 47 LEU QD . . 4.230 3.580 3.208 3.842 . 0 0 "[ . 1 . 2]" 1
766 1 44 CYS HA 1 48 LEU QD . . 4.170 3.613 2.925 4.182 0.012 9 0 "[ . 1 . 2]" 1
767 1 44 CYS HA 1 80 ASP HA . . 5.250 4.717 4.166 5.003 . 0 0 "[ . 1 . 2]" 1
768 1 44 CYS HA 1 83 LEU HB2 . . 5.200 4.899 4.329 5.194 . 0 0 "[ . 1 . 2]" 1
769 1 44 CYS HA 1 83 LEU QD . . 3.350 2.403 1.917 2.598 . 0 0 "[ . 1 . 2]" 1
770 1 44 CYS HA 1 83 LEU HG . . 4.730 2.912 2.541 3.147 . 0 0 "[ . 1 . 2]" 1
771 1 44 CYS QB 1 45 GLU H . . 3.000 2.355 2.271 3.200 0.200 17 0 "[ . 1 . 2]" 1
772 1 44 CYS QB 1 45 GLU QB . . 4.680 3.920 3.785 4.330 . 0 0 "[ . 1 . 2]" 1
773 1 44 CYS QB 1 48 LEU QD . . 4.810 3.816 3.618 4.113 . 0 0 "[ . 1 . 2]" 1
774 1 44 CYS QB 1 48 LEU HG . . 5.340 4.751 4.286 5.365 0.025 14 0 "[ . 1 . 2]" 1
775 1 44 CYS QB 1 79 SER HA . . 4.310 3.049 2.654 3.300 . 0 0 "[ . 1 . 2]" 1
776 1 44 CYS QB 1 80 ASP HA . . 3.930 2.972 2.608 3.186 . 0 0 "[ . 1 . 2]" 1
777 1 44 CYS QB 1 83 LEU HB2 . . 5.180 4.085 3.981 4.197 . 0 0 "[ . 1 . 2]" 1
778 1 44 CYS QB 1 83 LEU HB3 . . 5.340 5.156 5.029 5.280 . 0 0 "[ . 1 . 2]" 1
779 1 44 CYS QB 1 83 LEU QD . . 3.640 1.897 1.864 2.051 . 0 0 "[ . 1 . 2]" 1
780 1 44 CYS HB2 1 79 SER HA . . 4.960 3.428 3.074 3.683 . 0 0 "[ . 1 . 2]" 1
781 1 44 CYS HB2 1 80 ASP HA . . 4.620 3.183 2.678 4.630 0.010 17 0 "[ . 1 . 2]" 1
782 1 44 CYS HB3 1 79 SER HA . . 4.960 3.426 2.901 3.727 . 0 0 "[ . 1 . 2]" 1
783 1 44 CYS HB3 1 80 ASP HA . . 4.620 3.786 2.922 3.987 . 0 0 "[ . 1 . 2]" 1
784 1 45 GLU H 1 45 GLU QB . . 2.590 2.309 2.226 2.587 . 0 0 "[ . 1 . 2]" 1
785 1 45 GLU H 1 45 GLU HG2 . . 4.730 3.885 1.938 4.591 . 0 0 "[ . 1 . 2]" 1
786 1 45 GLU H 1 45 GLU QG . . 3.950 3.484 1.924 3.998 0.048 18 0 "[ . 1 . 2]" 1
787 1 45 GLU H 1 45 GLU HG3 . . 4.730 4.126 3.017 4.593 . 0 0 "[ . 1 . 2]" 1
788 1 45 GLU H 1 46 ARG H . . 3.100 2.684 2.423 2.937 . 0 0 "[ . 1 . 2]" 1
789 1 45 GLU H 1 48 LEU HB2 . . 5.350 5.022 4.887 5.274 . 0 0 "[ . 1 . 2]" 1
790 1 45 GLU HA 1 45 GLU HG2 . . 4.240 3.598 2.652 3.851 . 0 0 "[ . 1 . 2]" 1
791 1 45 GLU HA 1 45 GLU QG . . 3.610 2.951 2.516 3.339 . 0 0 "[ . 1 . 2]" 1
792 1 45 GLU HA 1 45 GLU HG3 . . 4.240 3.189 2.591 3.890 . 0 0 "[ . 1 . 2]" 1
793 1 45 GLU HA 1 48 LEU H . . 4.330 3.834 3.396 4.156 . 0 0 "[ . 1 . 2]" 1
794 1 45 GLU HA 1 48 LEU HB2 . . 4.050 2.841 2.546 3.136 . 0 0 "[ . 1 . 2]" 1
795 1 45 GLU HA 1 48 LEU HB3 . . 4.850 4.405 4.045 4.743 . 0 0 "[ . 1 . 2]" 1
796 1 45 GLU HA 1 48 LEU QD . . 3.680 3.387 2.989 3.739 0.059 14 0 "[ . 1 . 2]" 1
797 1 45 GLU HA 1 48 LEU HG . . 5.440 4.207 3.911 4.467 . 0 0 "[ . 1 . 2]" 1
798 1 45 GLU HA 1 49 SER H . . 4.590 4.254 4.032 4.415 . 0 0 "[ . 1 . 2]" 1
799 1 45 GLU QG 1 46 ARG H . . 5.030 3.223 1.975 3.708 . 0 0 "[ . 1 . 2]" 1
800 1 45 GLU QG 1 46 ARG HA . . 3.590 3.452 3.209 3.659 0.069 18 0 "[ . 1 . 2]" 1
801 1 46 ARG H 1 46 ARG HA . . 2.910 2.841 2.767 2.888 . 0 0 "[ . 1 . 2]" 1
802 1 46 ARG H 1 46 ARG QB . . 3.260 2.163 2.044 2.426 . 0 0 "[ . 1 . 2]" 1
803 1 46 ARG H 1 46 ARG QD . . 4.740 4.008 2.467 4.698 . 0 0 "[ . 1 . 2]" 1
804 1 46 ARG H 1 46 ARG QG . . 3.790 3.068 2.234 3.830 0.040 8 0 "[ . 1 . 2]" 1
805 1 46 ARG H 1 47 LEU H . . 2.890 2.624 2.408 2.859 . 0 0 "[ . 1 . 2]" 1
806 1 46 ARG H 1 47 LEU HB3 . . 4.790 4.569 4.396 4.791 0.001 18 0 "[ . 1 . 2]" 1
807 1 46 ARG HA 1 46 ARG QD . . 4.140 3.015 2.066 4.108 . 0 0 "[ . 1 . 2]" 1
808 1 46 ARG HA 1 46 ARG QG . . 3.520 2.342 2.118 2.640 . 0 0 "[ . 1 . 2]" 1
809 1 46 ARG HA 1 49 SER H . . 4.020 3.705 3.516 3.888 . 0 0 "[ . 1 . 2]" 1
810 1 46 ARG HA 1 49 SER HB3 . . 4.170 3.911 3.449 4.180 0.010 11 0 "[ . 1 . 2]" 1
811 1 46 ARG QB 1 46 ARG QD . . 3.380 2.267 1.978 2.710 . 0 0 "[ . 1 . 2]" 1
812 1 46 ARG QB 1 47 LEU H . . 4.180 2.590 2.340 2.915 . 0 0 "[ . 1 . 2]" 1
813 1 46 ARG QB 1 47 LEU HA . . 4.490 3.806 3.684 3.919 . 0 0 "[ . 1 . 2]" 1
814 1 46 ARG QB 1 47 LEU HB2 . . 4.720 4.232 4.167 4.299 . 0 0 "[ . 1 . 2]" 1
815 1 46 ARG QB 1 47 LEU HB3 . . 4.820 4.437 4.308 4.628 . 0 0 "[ . 1 . 2]" 1
816 1 46 ARG HB2 1 47 LEU HB3 . . 5.500 4.850 4.519 5.171 . 0 0 "[ . 1 . 2]" 1
817 1 46 ARG HB3 1 47 LEU HB3 . . 5.500 5.174 4.732 5.501 0.001 2 0 "[ . 1 . 2]" 1
818 1 46 ARG QG 1 47 LEU H . . 4.730 4.322 3.994 4.675 . 0 0 "[ . 1 . 2]" 1
819 1 47 LEU H 1 47 LEU HB3 . . 2.940 2.280 2.234 2.431 . 0 0 "[ . 1 . 2]" 1
820 1 47 LEU H 1 47 LEU MD1 . . 4.390 4.199 3.970 4.261 . 0 0 "[ . 1 . 2]" 1
821 1 47 LEU H 1 47 LEU QD . . 3.860 3.737 3.570 3.773 . 0 0 "[ . 1 . 2]" 1
822 1 47 LEU H 1 47 LEU MD2 . . 4.390 4.192 4.046 4.235 . 0 0 "[ . 1 . 2]" 1
823 1 47 LEU H 1 47 LEU HG . . 4.830 4.296 4.198 4.609 . 0 0 "[ . 1 . 2]" 1
824 1 47 LEU H 1 48 LEU H . . 5.180 2.732 2.516 2.958 . 0 0 "[ . 1 . 2]" 1
825 1 47 LEU H 1 83 LEU HG . . 5.500 5.270 4.663 5.485 . 0 0 "[ . 1 . 2]" 1
826 1 47 LEU HA 1 47 LEU MD1 . . 4.140 2.335 2.148 3.489 . 0 0 "[ . 1 . 2]" 1
827 1 47 LEU HA 1 47 LEU QD . . 3.170 2.246 1.976 2.360 . 0 0 "[ . 1 . 2]" 1
828 1 47 LEU HA 1 47 LEU MD2 . . 4.140 3.810 1.987 3.942 . 0 0 "[ . 1 . 2]" 1
829 1 47 LEU HA 1 47 LEU HG . . 3.870 3.441 3.411 3.700 . 0 0 "[ . 1 . 2]" 1
830 1 47 LEU HA 1 48 LEU QD . . 5.440 4.914 4.390 5.264 . 0 0 "[ . 1 . 2]" 1
831 1 47 LEU HA 1 50 ARG H . . 3.560 3.487 3.391 3.563 0.003 13 0 "[ . 1 . 2]" 1
832 1 47 LEU HA 1 50 ARG HB2 . . 4.350 3.647 3.498 3.790 . 0 0 "[ . 1 . 2]" 1
833 1 47 LEU HA 1 51 VAL H . . 4.440 4.255 4.043 4.460 0.020 4 0 "[ . 1 . 2]" 1
834 1 47 LEU HA 1 97 ILE MD . . 5.500 5.426 5.126 5.517 0.017 6 0 "[ . 1 . 2]" 1
835 1 47 LEU HB2 1 48 LEU H . . 4.030 3.866 3.747 3.931 . 0 0 "[ . 1 . 2]" 1
836 1 47 LEU HB3 1 47 LEU QD . . 2.700 2.267 2.003 2.358 . 0 0 "[ . 1 . 2]" 1
837 1 47 LEU HB3 1 48 LEU H . . 3.910 2.459 2.283 2.563 . 0 0 "[ . 1 . 2]" 1
838 1 47 LEU HB3 1 48 LEU QD . . 4.170 3.529 2.735 4.124 . 0 0 "[ . 1 . 2]" 1
839 1 47 LEU HB3 1 48 LEU HG . . 5.500 4.315 3.392 5.551 0.051 18 0 "[ . 1 . 2]" 1
840 1 47 LEU QD 1 48 LEU H . . 3.580 3.487 2.258 3.591 0.011 6 0 "[ . 1 . 2]" 1
841 1 47 LEU QD 1 48 LEU HA . . 3.700 3.645 2.407 3.723 0.023 1 0 "[ . 1 . 2]" 1
842 1 47 LEU QD 1 48 LEU QD . . 3.320 3.004 1.914 3.336 0.016 8 0 "[ . 1 . 2]" 1
843 1 47 LEU QD 1 50 ARG H . . 4.450 4.091 3.924 4.273 . 0 0 "[ . 1 . 2]" 1
844 1 47 LEU QD 1 50 ARG HB2 . . 4.200 3.235 3.024 3.367 . 0 0 "[ . 1 . 2]" 1
845 1 47 LEU QD 1 63 PHE QE . . 5.130 4.654 3.856 4.958 . 0 0 "[ . 1 . 2]" 1
846 1 47 LEU QD 1 77 PHE QE . . 2.790 2.319 1.971 2.795 0.005 15 0 "[ . 1 . 2]" 1
847 1 47 LEU QD 1 77 PHE HZ . . 3.520 1.951 1.880 2.086 . 0 0 "[ . 1 . 2]" 1
848 1 47 LEU QD 1 83 LEU QD . . 2.500 2.175 1.900 2.545 0.045 13 0 "[ . 1 . 2]" 1
849 1 47 LEU QD 1 95 PHE QE . . 4.510 2.378 2.001 3.429 . 0 0 "[ . 1 . 2]" 1
850 1 47 LEU QD 1 97 ILE MD . . 2.870 1.892 1.764 2.079 . 0 0 "[ . 1 . 2]" 1
851 1 47 LEU QD 1 97 ILE MG . . 3.900 2.971 2.618 3.188 . 0 0 "[ . 1 . 2]" 1
852 1 47 LEU MD1 1 48 LEU H . . 4.120 3.905 2.275 4.038 . 0 0 "[ . 1 . 2]" 1
853 1 47 LEU MD1 1 48 LEU HA . . 4.590 3.843 2.443 3.963 . 0 0 "[ . 1 . 2]" 1
854 1 47 LEU MD1 1 77 PHE HZ . . 4.480 3.933 1.975 4.379 . 0 0 "[ . 1 . 2]" 1
855 1 47 LEU MD1 1 97 ILE MD . . 3.450 2.244 2.102 2.561 . 0 0 "[ . 1 . 2]" 1
856 1 47 LEU MD2 1 48 LEU H . . 4.120 3.974 3.797 4.055 . 0 0 "[ . 1 . 2]" 1
857 1 47 LEU MD2 1 48 LEU HA . . 4.590 4.544 3.618 4.609 0.019 14 0 "[ . 1 . 2]" 1
858 1 47 LEU MD2 1 77 PHE HZ . . 4.480 2.067 1.883 4.214 . 0 0 "[ . 1 . 2]" 1
859 1 47 LEU MD2 1 97 ILE MD . . 3.450 2.057 1.854 2.507 . 0 0 "[ . 1 . 2]" 1
860 1 47 LEU HG 1 48 LEU HA . . 5.190 3.284 3.113 5.237 0.047 13 0 "[ . 1 . 2]" 1
861 1 47 LEU HG 1 48 LEU QD . . 4.170 2.753 2.176 4.211 0.041 13 0 "[ . 1 . 2]" 1
862 1 47 LEU HG 1 51 VAL MG2 . . 5.240 2.756 2.416 4.379 . 0 0 "[ . 1 . 2]" 1
863 1 48 LEU H 1 48 LEU HB2 . . 3.490 2.373 2.198 2.501 . 0 0 "[ . 1 . 2]" 1
864 1 48 LEU H 1 48 LEU MD1 . . 4.050 3.748 3.683 3.983 . 0 0 "[ . 1 . 2]" 1
865 1 48 LEU H 1 48 LEU QD . . 3.370 2.695 1.929 3.136 . 0 0 "[ . 1 . 2]" 1
866 1 48 LEU H 1 48 LEU MD2 . . 4.050 2.822 1.933 3.372 . 0 0 "[ . 1 . 2]" 1
867 1 48 LEU H 1 48 LEU HG . . 4.150 2.876 2.257 3.891 . 0 0 "[ . 1 . 2]" 1
868 1 48 LEU H 1 49 SER H . . 2.920 2.693 2.676 2.757 . 0 0 "[ . 1 . 2]" 1
869 1 48 LEU H 1 49 SER HB2 . . 5.330 4.522 4.489 4.585 . 0 0 "[ . 1 . 2]" 1
870 1 48 LEU H 1 50 ARG H . . 4.830 4.548 4.453 4.663 . 0 0 "[ . 1 . 2]" 1
871 1 48 LEU H 1 51 VAL H . . 5.250 5.067 5.006 5.154 . 0 0 "[ . 1 . 2]" 1
872 1 48 LEU H 1 77 PHE QE . . 5.180 4.709 4.142 5.004 . 0 0 "[ . 1 . 2]" 1
873 1 48 LEU HA 1 48 LEU QD . . 2.810 1.958 1.889 2.127 . 0 0 "[ . 1 . 2]" 1
874 1 48 LEU HA 1 48 LEU HG . . 3.800 3.333 3.057 3.707 . 0 0 "[ . 1 . 2]" 1
875 1 48 LEU HA 1 51 VAL H . . 4.190 3.674 3.571 3.852 . 0 0 "[ . 1 . 2]" 1
876 1 48 LEU HA 1 51 VAL HB . . 3.750 2.810 2.649 2.928 . 0 0 "[ . 1 . 2]" 1
877 1 48 LEU HA 1 51 VAL MG1 . . 4.180 4.095 3.924 4.195 0.015 13 0 "[ . 1 . 2]" 1
878 1 48 LEU HA 1 51 VAL MG2 . . 3.660 2.711 2.412 2.980 . 0 0 "[ . 1 . 2]" 1
879 1 48 LEU HA 1 52 ALA H . . 4.690 4.345 4.232 4.498 . 0 0 "[ . 1 . 2]" 1
880 1 48 LEU HA 1 63 PHE HZ . . 4.240 2.299 1.998 2.825 . 0 0 "[ . 1 . 2]" 1
881 1 48 LEU HB2 1 48 LEU MD1 . . 3.240 2.628 2.284 3.193 . 0 0 "[ . 1 . 2]" 1
882 1 48 LEU HB2 1 48 LEU MD2 . . 3.240 2.914 2.388 3.195 . 0 0 "[ . 1 . 2]" 1
883 1 48 LEU HB2 1 49 SER H . . 3.200 3.059 2.961 3.156 . 0 0 "[ . 1 . 2]" 1
884 1 48 LEU HB3 1 49 SER H . . 4.420 3.828 3.613 3.967 . 0 0 "[ . 1 . 2]" 1
885 1 48 LEU HB3 1 49 SER HA . . 5.290 4.378 4.177 4.538 . 0 0 "[ . 1 . 2]" 1
886 1 48 LEU QD 1 49 SER H . . 4.600 4.132 3.883 4.283 . 0 0 "[ . 1 . 2]" 1
887 1 48 LEU QD 1 51 VAL HB . . 3.680 3.469 3.091 3.691 0.011 13 0 "[ . 1 . 2]" 1
888 1 48 LEU QD 1 51 VAL MG1 . . 4.170 3.719 3.367 3.970 . 0 0 "[ . 1 . 2]" 1
889 1 48 LEU QD 1 51 VAL MG2 . . 4.030 3.119 2.873 3.331 . 0 0 "[ . 1 . 2]" 1
890 1 48 LEU QD 1 52 ALA H . . 5.440 5.046 4.696 5.320 . 0 0 "[ . 1 . 2]" 1
891 1 48 LEU QD 1 63 PHE QE . . 3.330 2.327 2.135 2.548 . 0 0 "[ . 1 . 2]" 1
892 1 48 LEU QD 1 63 PHE HZ . . 3.020 2.317 2.190 2.472 . 0 0 "[ . 1 . 2]" 1
893 1 48 LEU QD 1 64 GLN HE22 . . 5.000 4.128 3.925 4.374 . 0 0 "[ . 1 . 2]" 1
894 1 48 LEU QD 1 65 ALA H . . 4.310 2.951 2.760 3.140 . 0 0 "[ . 1 . 2]" 1
895 1 48 LEU QD 1 65 ALA MB . . 2.470 2.415 2.189 2.490 0.020 14 0 "[ . 1 . 2]" 1
896 1 48 LEU QD 1 77 PHE QD . . 4.430 3.793 3.219 4.176 . 0 0 "[ . 1 . 2]" 1
897 1 48 LEU QD 1 77 PHE QE . . 3.440 2.903 2.031 3.442 0.002 8 0 "[ . 1 . 2]" 1
898 1 48 LEU QD 1 77 PHE HZ . . 4.220 3.421 2.789 3.738 . 0 0 "[ . 1 . 2]" 1
899 1 48 LEU QD 1 78 SER HA . . 3.320 3.007 2.700 3.338 0.018 14 0 "[ . 1 . 2]" 1
900 1 48 LEU QD 1 78 SER QB . . 4.860 3.456 3.112 4.220 . 0 0 "[ . 1 . 2]" 1
901 1 48 LEU QD 1 99 ILE MD . . 3.750 3.592 3.379 3.756 0.006 19 0 "[ . 1 . 2]" 1
902 1 48 LEU QD 1 99 ILE MG . . 4.930 4.169 3.943 4.425 . 0 0 "[ . 1 . 2]" 1
903 1 48 LEU MD1 1 49 SER H . . 5.390 4.865 4.732 4.939 . 0 0 "[ . 1 . 2]" 1
904 1 48 LEU MD1 1 63 PHE QE . . 4.710 3.493 2.143 4.309 . 0 0 "[ . 1 . 2]" 1
905 1 48 LEU MD1 1 77 PHE QE . . 4.090 4.072 3.959 4.101 0.011 15 0 "[ . 1 . 2]" 1
906 1 48 LEU MD2 1 49 SER H . . 5.390 4.481 4.126 4.725 . 0 0 "[ . 1 . 2]" 1
907 1 48 LEU MD2 1 63 PHE QE . . 4.710 2.985 2.227 4.231 . 0 0 "[ . 1 . 2]" 1
908 1 48 LEU MD2 1 77 PHE QE . . 4.090 3.010 2.036 3.698 . 0 0 "[ . 1 . 2]" 1
909 1 48 LEU HG 1 49 SER H . . 5.500 4.861 4.501 5.414 . 0 0 "[ . 1 . 2]" 1
910 1 48 LEU HG 1 78 SER QB . . 5.500 5.180 4.429 5.520 0.020 8 0 "[ . 1 . 2]" 1
911 1 49 SER H 1 49 SER HB2 . . 2.850 2.097 2.079 2.117 . 0 0 "[ . 1 . 2]" 1
912 1 49 SER H 1 49 SER HB3 . . 3.730 3.333 3.237 3.420 . 0 0 "[ . 1 . 2]" 1
913 1 49 SER H 1 50 ARG H . . 3.800 2.618 2.542 2.701 . 0 0 "[ . 1 . 2]" 1
914 1 49 SER H 1 50 ARG QD . . 4.520 4.546 4.532 4.571 0.051 5 0 "[ . 1 . 2]" 1
915 1 49 SER H 1 51 VAL H . . 4.360 4.178 4.075 4.341 . 0 0 "[ . 1 . 2]" 1
916 1 49 SER H 1 51 VAL HB . . 5.280 5.181 5.049 5.303 0.023 4 0 "[ . 1 . 2]" 1
917 1 49 SER H 1 51 VAL MG2 . . 5.040 4.688 4.491 4.983 . 0 0 "[ . 1 . 2]" 1
918 1 49 SER H 1 52 ALA H . . 5.010 4.845 4.775 4.909 . 0 0 "[ . 1 . 2]" 1
919 1 49 SER HA 1 51 VAL HB . . 5.500 5.463 5.345 5.519 0.019 5 0 "[ . 1 . 2]" 1
920 1 49 SER HA 1 52 ALA H . . 4.210 3.784 3.672 3.865 . 0 0 "[ . 1 . 2]" 1
921 1 49 SER HA 1 52 ALA MB . . 3.630 3.064 2.939 3.183 . 0 0 "[ . 1 . 2]" 1
922 1 49 SER HA 1 53 VAL QG . . 4.900 4.657 4.574 4.755 . 0 0 "[ . 1 . 2]" 1
923 1 49 SER HB2 1 50 ARG H . . 3.350 2.973 2.791 3.178 . 0 0 "[ . 1 . 2]" 1
924 1 49 SER HB2 1 53 VAL QG . . 5.440 5.478 5.464 5.503 0.063 11 0 "[ . 1 . 2]" 1
925 1 49 SER HB3 1 50 ARG H . . 3.290 2.896 2.746 2.971 . 0 0 "[ . 1 . 2]" 1
926 1 49 SER HB3 1 50 ARG HB3 . . 5.500 5.529 5.493 5.552 0.052 17 0 "[ . 1 . 2]" 1
927 1 49 SER HB3 1 50 ARG HG2 . . 4.960 3.839 3.773 3.899 . 0 0 "[ . 1 . 2]" 1
928 1 49 SER HB3 1 53 VAL QG . . 4.960 4.271 4.197 4.381 . 0 0 "[ . 1 . 2]" 1
929 1 50 ARG H 1 50 ARG HB2 . . 2.830 2.715 2.705 2.731 . 0 0 "[ . 1 . 2]" 1
930 1 50 ARG H 1 50 ARG HB3 . . 3.740 3.579 3.575 3.584 . 0 0 "[ . 1 . 2]" 1
931 1 50 ARG H 1 50 ARG QD . . 3.770 2.663 2.558 2.745 . 0 0 "[ . 1 . 2]" 1
932 1 50 ARG H 1 50 ARG HG2 . . 2.900 1.949 1.934 1.990 . 0 0 "[ . 1 . 2]" 1
933 1 50 ARG H 1 51 VAL H . . 3.900 2.716 2.640 2.794 . 0 0 "[ . 1 . 2]" 1
934 1 50 ARG H 1 51 VAL MG2 . . 4.450 4.091 3.941 4.182 . 0 0 "[ . 1 . 2]" 1
935 1 50 ARG H 1 52 ALA H . . 4.190 4.018 3.977 4.072 . 0 0 "[ . 1 . 2]" 1
936 1 50 ARG H 1 53 VAL H . . 5.160 5.010 4.956 5.075 . 0 0 "[ . 1 . 2]" 1
937 1 50 ARG H 1 54 LEU MD1 . . 4.710 4.722 4.661 4.739 0.029 16 0 "[ . 1 . 2]" 1
938 1 50 ARG HA 1 50 ARG HB2 . . 3.020 3.012 3.010 3.017 . 0 0 "[ . 1 . 2]" 1
939 1 50 ARG HA 1 50 ARG QD . . 3.260 2.160 2.075 2.224 . 0 0 "[ . 1 . 2]" 1
940 1 50 ARG HA 1 50 ARG HG2 . . 3.960 3.381 3.358 3.409 . 0 0 "[ . 1 . 2]" 1
941 1 50 ARG HA 1 50 ARG HG3 . . 4.130 3.802 3.762 3.818 . 0 0 "[ . 1 . 2]" 1
942 1 50 ARG HA 1 52 ALA H . . 4.930 3.988 3.945 4.015 . 0 0 "[ . 1 . 2]" 1
943 1 50 ARG HA 1 52 ALA MB . . 4.680 4.570 4.509 4.633 . 0 0 "[ . 1 . 2]" 1
944 1 50 ARG HA 1 53 VAL H . . 3.370 3.383 3.340 3.412 0.042 7 0 "[ . 1 . 2]" 1
945 1 50 ARG HA 1 53 VAL HB . . 4.330 4.285 4.276 4.293 . 0 0 "[ . 1 . 2]" 1
946 1 50 ARG HA 1 53 VAL MG1 . . 4.740 1.911 1.892 1.919 . 0 0 "[ . 1 . 2]" 1
947 1 50 ARG HA 1 53 VAL QG . . 3.210 1.909 1.891 1.918 . 0 0 "[ . 1 . 2]" 1
948 1 50 ARG HA 1 53 VAL MG2 . . 4.740 4.529 4.497 4.553 . 0 0 "[ . 1 . 2]" 1
949 1 50 ARG HA 1 54 LEU H . . 5.300 4.082 4.026 4.122 . 0 0 "[ . 1 . 2]" 1
950 1 50 ARG HA 1 54 LEU HG . . 4.780 3.482 3.443 3.544 . 0 0 "[ . 1 . 2]" 1
951 1 50 ARG HB2 1 51 VAL MG2 . . 3.740 3.115 3.045 3.190 . 0 0 "[ . 1 . 2]" 1
952 1 50 ARG HB3 1 50 ARG QD . . 3.880 2.644 2.397 3.009 . 0 0 "[ . 1 . 2]" 1
953 1 50 ARG HB3 1 51 VAL H . . 3.820 3.670 3.617 3.742 . 0 0 "[ . 1 . 2]" 1
954 1 50 ARG QD 1 53 VAL HB . . 5.420 5.279 5.136 5.435 0.015 12 0 "[ . 1 . 2]" 1
955 1 50 ARG QD 1 53 VAL QG . . 3.770 3.068 2.916 3.241 . 0 0 "[ . 1 . 2]" 1
956 1 50 ARG QD 1 54 LEU MD1 . . 4.640 4.290 3.990 4.614 . 0 0 "[ . 1 . 2]" 1
957 1 50 ARG QD 1 54 LEU HG . . 5.050 4.744 4.454 5.112 0.062 5 0 "[ . 1 . 2]" 1
958 1 50 ARG HG2 1 51 VAL H . . 3.860 3.808 3.784 3.872 0.012 8 0 "[ . 1 . 2]" 1
959 1 50 ARG HG2 1 51 VAL MG2 . . 4.720 4.651 4.581 4.710 . 0 0 "[ . 1 . 2]" 1
960 1 50 ARG HG2 1 53 VAL QG . . 5.370 4.692 4.658 4.728 . 0 0 "[ . 1 . 2]" 1
961 1 50 ARG HG2 1 54 LEU MD1 . . 4.990 4.579 4.507 4.627 . 0 0 "[ . 1 . 2]" 1
962 1 50 ARG HG3 1 54 LEU MD1 . . 4.640 4.013 3.899 4.085 . 0 0 "[ . 1 . 2]" 1
963 1 51 VAL H 1 51 VAL HB . . 3.850 2.647 2.606 2.678 . 0 0 "[ . 1 . 2]" 1
964 1 51 VAL H 1 51 VAL MG1 . . 4.290 3.764 3.761 3.767 . 0 0 "[ . 1 . 2]" 1
965 1 51 VAL H 1 51 VAL MG2 . . 2.760 2.044 1.924 2.140 . 0 0 "[ . 1 . 2]" 1
966 1 51 VAL H 1 52 ALA H . . 3.230 2.801 2.788 2.808 . 0 0 "[ . 1 . 2]" 1
967 1 51 VAL H 1 52 ALA MB . . 4.630 4.466 4.431 4.482 . 0 0 "[ . 1 . 2]" 1
968 1 51 VAL H 1 53 VAL H . . 4.590 4.603 4.591 4.612 0.022 1 0 "[ . 1 . 2]" 1
969 1 51 VAL H 1 54 LEU H . . 4.820 4.689 4.671 4.707 . 0 0 "[ . 1 . 2]" 1
970 1 51 VAL H 1 54 LEU MD1 . . 4.030 3.483 3.375 3.581 . 0 0 "[ . 1 . 2]" 1
971 1 51 VAL HA 1 51 VAL MG1 . . 3.470 2.388 2.333 2.406 . 0 0 "[ . 1 . 2]" 1
972 1 51 VAL HA 1 51 VAL MG2 . . 3.040 2.380 2.340 2.432 . 0 0 "[ . 1 . 2]" 1
973 1 51 VAL HA 1 52 ALA H . . 3.540 3.499 3.498 3.502 . 0 0 "[ . 1 . 2]" 1
974 1 51 VAL HA 1 52 ALA HA . . 5.340 4.770 4.764 4.774 . 0 0 "[ . 1 . 2]" 1
975 1 51 VAL HA 1 53 VAL H . . 5.010 4.778 4.759 4.798 . 0 0 "[ . 1 . 2]" 1
976 1 51 VAL HA 1 54 LEU H . . 3.670 3.501 3.483 3.522 . 0 0 "[ . 1 . 2]" 1
977 1 51 VAL HA 1 54 LEU HA . . 5.500 5.284 5.258 5.310 . 0 0 "[ . 1 . 2]" 1
978 1 51 VAL HA 1 54 LEU HB2 . . 3.730 2.373 2.344 2.404 . 0 0 "[ . 1 . 2]" 1
979 1 51 VAL HA 1 54 LEU HB3 . . 4.120 3.967 3.937 4.011 . 0 0 "[ . 1 . 2]" 1
980 1 51 VAL HA 1 54 LEU MD1 . . 4.330 2.687 2.470 2.810 . 0 0 "[ . 1 . 2]" 1
981 1 51 VAL HA 1 54 LEU HG . . 4.950 3.905 3.825 3.956 . 0 0 "[ . 1 . 2]" 1
982 1 51 VAL HA 1 55 PHE H . . 4.200 3.778 3.726 3.839 . 0 0 "[ . 1 . 2]" 1
983 1 51 VAL HA 1 55 PHE QD . . 5.040 2.763 2.436 3.705 . 0 0 "[ . 1 . 2]" 1
984 1 51 VAL HA 1 55 PHE QE . . 4.770 3.607 3.349 4.311 . 0 0 "[ . 1 . 2]" 1
985 1 51 VAL HB 1 52 ALA H . . 3.970 2.823 2.809 2.834 . 0 0 "[ . 1 . 2]" 1
986 1 51 VAL HB 1 52 ALA MB . . 4.210 4.001 3.968 4.026 . 0 0 "[ . 1 . 2]" 1
987 1 51 VAL HB 1 55 PHE H . . 5.500 5.484 5.438 5.516 0.016 19 0 "[ . 1 . 2]" 1
988 1 51 VAL HB 1 63 PHE HZ . . 3.610 2.188 1.996 2.470 . 0 0 "[ . 1 . 2]" 1
989 1 51 VAL HB 1 99 ILE MD . . 4.750 3.780 3.501 4.007 . 0 0 "[ . 1 . 2]" 1
990 1 51 VAL MG1 1 52 ALA H . . 3.860 3.649 3.592 3.679 . 0 0 "[ . 1 . 2]" 1
991 1 51 VAL MG1 1 52 ALA HA . . 3.840 3.583 3.495 3.704 . 0 0 "[ . 1 . 2]" 1
992 1 51 VAL MG1 1 52 ALA MB . . 4.410 4.256 4.176 4.302 . 0 0 "[ . 1 . 2]" 1
993 1 51 VAL MG1 1 55 PHE H . . 4.360 3.850 3.731 3.894 . 0 0 "[ . 1 . 2]" 1
994 1 51 VAL MG1 1 55 PHE QB . . 3.550 2.738 2.643 2.856 . 0 0 "[ . 1 . 2]" 1
995 1 51 VAL MG1 1 55 PHE QD . . 3.710 1.945 1.879 2.639 . 0 0 "[ . 1 . 2]" 1
996 1 51 VAL MG1 1 55 PHE QE . . 3.600 2.739 2.571 3.323 . 0 0 "[ . 1 . 2]" 1
997 1 51 VAL MG1 1 63 PHE QE . . 4.040 2.300 1.963 2.730 . 0 0 "[ . 1 . 2]" 1
998 1 51 VAL MG1 1 63 PHE HZ . . 4.670 3.128 2.886 3.328 . 0 0 "[ . 1 . 2]" 1
999 1 51 VAL MG1 1 99 ILE HB . . 4.570 3.639 3.420 3.944 . 0 0 "[ . 1 . 2]" 1
1000 1 51 VAL MG1 1 99 ILE QG . . 3.160 2.106 1.893 2.346 . 0 0 "[ . 1 . 2]" 1
1001 1 51 VAL MG2 1 52 ALA H . . 3.940 3.880 3.847 3.912 . 0 0 "[ . 1 . 2]" 1
1002 1 51 VAL MG2 1 54 LEU HB2 . . 5.500 4.269 4.247 4.297 . 0 0 "[ . 1 . 2]" 1
1003 1 51 VAL MG2 1 54 LEU MD1 . . 4.710 3.302 3.175 3.426 . 0 0 "[ . 1 . 2]" 1
1004 1 51 VAL MG2 1 55 PHE QE . . 3.960 3.658 3.411 3.967 0.007 19 0 "[ . 1 . 2]" 1
1005 1 51 VAL MG2 1 97 ILE MD . . 4.430 2.667 2.337 2.945 . 0 0 "[ . 1 . 2]" 1
1006 1 51 VAL MG2 1 99 ILE MD . . 3.470 2.107 1.914 2.535 . 0 0 "[ . 1 . 2]" 1
1007 1 52 ALA H 1 52 ALA MB . . 2.820 2.214 2.149 2.242 . 0 0 "[ . 1 . 2]" 1
1008 1 52 ALA H 1 53 VAL H . . 3.120 2.692 2.683 2.705 . 0 0 "[ . 1 . 2]" 1
1009 1 52 ALA H 1 53 VAL HB . . 5.350 5.309 5.292 5.327 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ALA H 1 53 VAL QG . . 4.810 3.684 3.663 3.702 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ALA H 1 54 LEU MD1 . . 4.870 4.824 4.739 4.883 0.013 5 0 "[ . 1 . 2]" 1
1012 1 52 ALA HA 1 53 VAL QG . . 5.060 4.782 4.772 4.790 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ALA HA 1 55 PHE H . . 4.130 3.524 3.470 3.562 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ALA HA 1 55 PHE QB . . 4.640 3.691 3.622 3.798 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ALA HA 1 58 LEU QD . . 4.750 3.733 3.588 4.150 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ALA HA 1 60 PRO HA . . 4.530 3.659 3.552 3.773 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ALA HA 1 63 PHE QE . . 4.400 3.672 3.025 4.166 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ALA MB 1 53 VAL H . . 3.260 2.302 2.287 2.329 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ALA MB 1 53 VAL HA . . 4.350 3.778 3.729 3.808 . 0 0 "[ . 1 . 2]" 1
1020 1 52 ALA MB 1 53 VAL HB . . 3.960 3.859 3.827 3.896 . 0 0 "[ . 1 . 2]" 1
1021 1 52 ALA MB 1 53 VAL MG1 . . 4.890 3.565 3.542 3.598 . 0 0 "[ . 1 . 2]" 1
1022 1 52 ALA MB 1 53 VAL QG . . 3.580 3.475 3.458 3.501 . 0 0 "[ . 1 . 2]" 1
1023 1 52 ALA MB 1 53 VAL MG2 . . 4.890 4.813 4.795 4.830 . 0 0 "[ . 1 . 2]" 1
1024 1 52 ALA MB 1 54 LEU H . . 4.370 4.150 4.139 4.160 . 0 0 "[ . 1 . 2]" 1
1025 1 52 ALA MB 1 58 LEU QD . . 5.440 4.288 4.127 4.686 . 0 0 "[ . 1 . 2]" 1
1026 1 52 ALA MB 1 60 PRO HA . . 3.760 2.281 2.225 2.342 . 0 0 "[ . 1 . 2]" 1
1027 1 52 ALA MB 1 60 PRO HB2 . . 4.840 3.550 3.436 3.693 . 0 0 "[ . 1 . 2]" 1
1028 1 52 ALA MB 1 60 PRO HD3 . . 5.500 5.495 5.448 5.519 0.019 6 0 "[ . 1 . 2]" 1
1029 1 52 ALA MB 1 60 PRO QG . . 5.350 4.724 4.640 4.798 . 0 0 "[ . 1 . 2]" 1
1030 1 52 ALA MB 1 61 GLY HA2 . . 4.190 3.990 3.887 4.195 0.005 6 0 "[ . 1 . 2]" 1
1031 1 52 ALA MB 1 62 GLY H . . 5.220 5.162 4.865 5.240 0.020 12 0 "[ . 1 . 2]" 1
1032 1 52 ALA MB 1 63 PHE QE . . 4.100 2.631 2.473 2.831 . 0 0 "[ . 1 . 2]" 1
1033 1 53 VAL H 1 53 VAL HB . . 3.290 2.696 2.685 2.708 . 0 0 "[ . 1 . 2]" 1
1034 1 53 VAL H 1 53 VAL MG1 . . 3.940 1.990 1.973 2.005 . 0 0 "[ . 1 . 2]" 1
1035 1 53 VAL H 1 53 VAL QG . . 2.850 1.982 1.966 1.997 . 0 0 "[ . 1 . 2]" 1
1036 1 53 VAL H 1 53 VAL MG2 . . 3.940 3.764 3.762 3.765 . 0 0 "[ . 1 . 2]" 1
1037 1 53 VAL H 1 54 LEU H . . 3.370 2.521 2.511 2.532 . 0 0 "[ . 1 . 2]" 1
1038 1 53 VAL H 1 54 LEU HA . . 5.310 5.143 5.134 5.154 . 0 0 "[ . 1 . 2]" 1
1039 1 53 VAL H 1 54 LEU HB2 . . 5.150 4.706 4.682 4.729 . 0 0 "[ . 1 . 2]" 1
1040 1 53 VAL H 1 54 LEU HG . . 4.190 4.222 4.211 4.246 0.056 12 0 "[ . 1 . 2]" 1
1041 1 53 VAL HA 1 53 VAL MG1 . . 3.260 3.199 3.198 3.199 . 0 0 "[ . 1 . 2]" 1
1042 1 53 VAL HA 1 53 VAL QG . . 2.770 2.284 2.270 2.323 . 0 0 "[ . 1 . 2]" 1
1043 1 53 VAL HA 1 53 VAL MG2 . . 3.260 2.338 2.323 2.385 . 0 0 "[ . 1 . 2]" 1
1044 1 53 VAL HA 1 54 LEU HG . . 5.380 5.305 5.250 5.353 . 0 0 "[ . 1 . 2]" 1
1045 1 53 VAL HA 1 55 PHE H . . 4.610 4.343 4.283 4.399 . 0 0 "[ . 1 . 2]" 1
1046 1 53 VAL HA 1 56 PRO HB3 . . 4.850 4.103 4.014 4.263 . 0 0 "[ . 1 . 2]" 1
1047 1 53 VAL HB 1 54 LEU H . . 4.350 4.190 4.183 4.198 . 0 0 "[ . 1 . 2]" 1
1048 1 53 VAL HB 1 54 LEU MD2 . . 5.500 5.536 5.518 5.558 0.058 10 0 "[ . 1 . 2]" 1
1049 1 53 VAL HB 1 54 LEU HG . . 5.340 5.161 5.102 5.212 . 0 0 "[ . 1 . 2]" 1
1050 1 53 VAL QG 1 54 LEU H . . 3.200 2.322 2.303 2.343 . 0 0 "[ . 1 . 2]" 1
1051 1 53 VAL QG 1 54 LEU HA . . 3.340 3.180 3.137 3.203 . 0 0 "[ . 1 . 2]" 1
1052 1 53 VAL QG 1 54 LEU HB2 . . 5.440 3.733 3.722 3.753 . 0 0 "[ . 1 . 2]" 1
1053 1 53 VAL QG 1 54 LEU MD2 . . 3.740 2.852 2.840 2.867 . 0 0 "[ . 1 . 2]" 1
1054 1 53 VAL QG 1 55 PHE H . . 4.470 4.130 4.107 4.154 . 0 0 "[ . 1 . 2]" 1
1055 1 53 VAL QG 1 56 PRO HB3 . . 5.320 4.671 4.579 4.764 . 0 0 "[ . 1 . 2]" 1
1056 1 53 VAL QG 1 56 PRO QG . . 5.440 4.717 4.608 4.861 . 0 0 "[ . 1 . 2]" 1
1057 1 53 VAL MG1 1 54 LEU H . . 4.220 2.343 2.324 2.366 . 0 0 "[ . 1 . 2]" 1
1058 1 53 VAL MG1 1 54 LEU HA . . 3.900 3.495 3.477 3.508 . 0 0 "[ . 1 . 2]" 1
1059 1 53 VAL MG1 1 54 LEU MD1 . . 5.240 3.449 3.366 3.510 . 0 0 "[ . 1 . 2]" 1
1060 1 53 VAL MG2 1 54 LEU H . . 4.220 3.771 3.730 3.790 . 0 0 "[ . 1 . 2]" 1
1061 1 53 VAL MG2 1 54 LEU HA . . 3.900 3.657 3.570 3.719 . 0 0 "[ . 1 . 2]" 1
1062 1 53 VAL MG2 1 54 LEU MD1 . . 5.240 5.015 4.964 5.070 . 0 0 "[ . 1 . 2]" 1
1063 1 54 LEU H 1 54 LEU HB2 . . 4.100 2.413 2.396 2.429 . 0 0 "[ . 1 . 2]" 1
1064 1 54 LEU H 1 54 LEU HB3 . . 4.140 3.611 3.603 3.620 . 0 0 "[ . 1 . 2]" 1
1065 1 54 LEU H 1 54 LEU MD1 . . 4.120 3.620 3.570 3.666 . 0 0 "[ . 1 . 2]" 1
1066 1 54 LEU H 1 54 LEU MD2 . . 3.960 3.737 3.706 3.770 . 0 0 "[ . 1 . 2]" 1
1067 1 54 LEU H 1 54 LEU HG . . 4.480 2.582 2.555 2.607 . 0 0 "[ . 1 . 2]" 1
1068 1 54 LEU H 1 55 PHE H . . 2.880 2.314 2.271 2.365 . 0 0 "[ . 1 . 2]" 1
1069 1 54 LEU H 1 55 PHE QB . . 5.010 4.501 4.444 4.610 . 0 0 "[ . 1 . 2]" 1
1070 1 54 LEU HA 1 54 LEU MD1 . . 4.030 3.898 3.885 3.907 . 0 0 "[ . 1 . 2]" 1
1071 1 54 LEU HA 1 54 LEU MD2 . . 2.400 2.325 2.260 2.365 . 0 0 "[ . 1 . 2]" 1
1072 1 54 LEU HA 1 54 LEU HG . . 3.430 2.979 2.967 2.995 . 0 0 "[ . 1 . 2]" 1
1073 1 54 LEU HA 1 56 PRO QD . . 4.000 3.326 3.233 3.421 . 0 0 "[ . 1 . 2]" 1
1074 1 54 LEU HB2 1 54 LEU HG . . 2.870 2.523 2.504 2.537 . 0 0 "[ . 1 . 2]" 1
1075 1 54 LEU HB2 1 55 PHE H . . 4.040 2.799 2.726 2.872 . 0 0 "[ . 1 . 2]" 1
1076 1 54 LEU HB2 1 55 PHE QD . . 4.420 3.107 2.097 4.030 . 0 0 "[ . 1 . 2]" 1
1077 1 54 LEU HB3 1 54 LEU MD2 . . 3.160 2.169 2.147 2.195 . 0 0 "[ . 1 . 2]" 1
1078 1 54 LEU HB3 1 55 PHE H . . 3.920 3.769 3.705 3.841 . 0 0 "[ . 1 . 2]" 1
1079 1 54 LEU HB3 1 55 PHE QD . . 4.200 3.842 3.041 4.201 0.001 19 0 "[ . 1 . 2]" 1
1080 1 54 LEU HB3 1 55 PHE QE . . 4.550 3.943 3.118 4.293 . 0 0 "[ . 1 . 2]" 1
1081 1 54 LEU MD1 1 55 PHE H . . 4.600 4.581 4.484 4.612 0.012 12 0 "[ . 1 . 2]" 1
1082 1 54 LEU MD1 1 55 PHE QD . . 5.400 4.107 3.513 4.740 . 0 0 "[ . 1 . 2]" 1
1083 1 54 LEU MD2 1 55 PHE H . . 5.260 4.797 4.772 4.830 . 0 0 "[ . 1 . 2]" 1
1084 1 54 LEU MD2 1 55 PHE QD . . 5.500 5.211 4.657 5.399 . 0 0 "[ . 1 . 2]" 1
1085 1 55 PHE H 1 55 PHE QE . . 5.310 5.017 4.747 5.249 . 0 0 "[ . 1 . 2]" 1
1086 1 55 PHE H 1 56 PRO HA . . 4.840 4.612 4.559 4.670 . 0 0 "[ . 1 . 2]" 1
1087 1 55 PHE H 1 56 PRO QD . . 5.040 3.098 3.041 3.172 . 0 0 "[ . 1 . 2]" 1
1088 1 55 PHE H 1 56 PRO QG . . 5.190 5.034 4.985 5.106 . 0 0 "[ . 1 . 2]" 1
1089 1 55 PHE H 1 57 ALA H . . 5.450 5.120 5.084 5.179 . 0 0 "[ . 1 . 2]" 1
1090 1 55 PHE H 1 58 LEU QD . . 5.240 4.773 4.158 4.989 . 0 0 "[ . 1 . 2]" 1
1091 1 55 PHE HA 1 56 PRO HA . . 4.850 4.656 4.645 4.667 . 0 0 "[ . 1 . 2]" 1
1092 1 55 PHE HA 1 56 PRO QD . . 3.660 2.057 2.029 2.086 . 0 0 "[ . 1 . 2]" 1
1093 1 55 PHE HA 1 56 PRO QG . . 4.280 3.933 3.912 3.955 . 0 0 "[ . 1 . 2]" 1
1094 1 55 PHE QB 1 57 ALA H . . 3.720 3.541 3.463 3.623 . 0 0 "[ . 1 . 2]" 1
1095 1 55 PHE QB 1 58 LEU H . . 4.310 3.739 3.657 3.784 . 0 0 "[ . 1 . 2]" 1
1096 1 55 PHE QB 1 58 LEU QB . . 5.340 4.639 4.468 4.801 . 0 0 "[ . 1 . 2]" 1
1097 1 55 PHE QB 1 58 LEU QD . . 4.090 2.347 2.038 2.536 . 0 0 "[ . 1 . 2]" 1
1098 1 55 PHE QB 1 58 LEU HG . . 4.850 3.202 3.008 4.061 . 0 0 "[ . 1 . 2]" 1
1099 1 55 PHE QD 1 57 ALA H . . 5.500 4.525 4.425 4.820 . 0 0 "[ . 1 . 2]" 1
1100 1 55 PHE QD 1 58 LEU QD . . 4.550 3.645 3.501 3.809 . 0 0 "[ . 1 . 2]" 1
1101 1 55 PHE QE 1 99 ILE QG . . 4.490 2.910 1.967 3.829 . 0 0 "[ . 1 . 2]" 1
1102 1 56 PRO HA 1 57 ALA HA . . 5.010 4.877 4.875 4.880 . 0 0 "[ . 1 . 2]" 1
1103 1 56 PRO HA 1 57 ALA MB . . 5.110 4.887 4.867 4.911 . 0 0 "[ . 1 . 2]" 1
1104 1 56 PRO HB2 1 57 ALA HA . . 4.800 4.291 4.262 4.309 . 0 0 "[ . 1 . 2]" 1
1105 1 56 PRO QD 1 57 ALA H . . 3.430 2.762 2.726 2.784 . 0 0 "[ . 1 . 2]" 1
1106 1 56 PRO QG 1 57 ALA HA . . 4.230 4.082 4.069 4.088 . 0 0 "[ . 1 . 2]" 1
1107 1 56 PRO QG 1 57 ALA MB . . 4.670 3.974 3.887 4.047 . 0 0 "[ . 1 . 2]" 1
1108 1 57 ALA H 1 57 ALA MB . . 3.580 2.089 2.023 2.214 . 0 0 "[ . 1 . 2]" 1
1109 1 57 ALA H 1 58 LEU H . . 4.490 2.707 2.704 2.712 . 0 0 "[ . 1 . 2]" 1
1110 1 57 ALA MB 1 58 LEU H . . 4.830 2.932 2.868 2.975 . 0 0 "[ . 1 . 2]" 1
1111 1 58 LEU H 1 58 LEU QB . . 3.480 3.017 2.860 3.081 . 0 0 "[ . 1 . 2]" 1
1112 1 58 LEU H 1 58 LEU MD1 . . 4.960 3.656 3.561 4.088 . 0 0 "[ . 1 . 2]" 1
1113 1 58 LEU H 1 58 LEU MD2 . . 4.960 3.008 2.055 3.220 . 0 0 "[ . 1 . 2]" 1
1114 1 58 LEU H 1 58 LEU HG . . 4.600 2.070 2.006 2.795 . 0 0 "[ . 1 . 2]" 1
1115 1 58 LEU HA 1 58 LEU MD1 . . 4.570 3.848 3.780 4.024 . 0 0 "[ . 1 . 2]" 1
1116 1 58 LEU HA 1 58 LEU QD . . 3.610 3.421 3.370 3.443 . 0 0 "[ . 1 . 2]" 1
1117 1 58 LEU HA 1 58 LEU MD2 . . 4.570 3.848 3.630 3.944 . 0 0 "[ . 1 . 2]" 1
1118 1 58 LEU HA 1 59 ARG H . . 3.430 2.652 2.630 2.729 . 0 0 "[ . 1 . 2]" 1
1119 1 58 LEU HA 1 59 ARG HB2 . . 5.500 4.979 4.943 5.164 . 0 0 "[ . 1 . 2]" 1
1120 1 58 LEU QB 1 58 LEU QD . . 2.640 1.738 1.717 1.868 . 0 0 "[ . 1 . 2]" 1
1121 1 58 LEU QB 1 59 ARG H . . 3.230 1.925 1.912 1.940 . 0 0 "[ . 1 . 2]" 1
1122 1 58 LEU QB 1 101 GLU HA . . 4.830 3.782 3.719 4.010 . 0 0 "[ . 1 . 2]" 1
1123 1 58 LEU QB 1 101 GLU QG . . 4.520 2.770 2.654 2.899 . 0 0 "[ . 1 . 2]" 1
1124 1 58 LEU HB2 1 59 ARG H . . 3.890 1.935 1.922 1.949 . 0 0 "[ . 1 . 2]" 1
1125 1 58 LEU HB2 1 101 GLU HA . . 5.500 3.969 3.893 4.243 . 0 0 "[ . 1 . 2]" 1
1126 1 58 LEU HB2 1 101 GLU QG . . 5.210 3.574 3.015 3.796 . 0 0 "[ . 1 . 2]" 1
1127 1 58 LEU HB3 1 59 ARG H . . 3.890 3.442 3.366 3.511 . 0 0 "[ . 1 . 2]" 1
1128 1 58 LEU HB3 1 101 GLU HA . . 5.500 4.764 4.598 5.088 . 0 0 "[ . 1 . 2]" 1
1129 1 58 LEU HB3 1 101 GLU QG . . 5.210 2.894 2.723 3.096 . 0 0 "[ . 1 . 2]" 1
1130 1 58 LEU QD 1 59 ARG H . . 3.310 2.600 2.459 2.998 . 0 0 "[ . 1 . 2]" 1
1131 1 58 LEU QD 1 59 ARG QG . . 4.540 4.419 4.265 4.557 0.017 15 0 "[ . 1 . 2]" 1
1132 1 58 LEU QD 1 62 GLY H . . 3.830 3.818 3.692 3.882 0.052 15 0 "[ . 1 . 2]" 1
1133 1 58 LEU QD 1 63 PHE H . . 4.500 4.278 4.224 4.414 . 0 0 "[ . 1 . 2]" 1
1134 1 58 LEU QD 1 63 PHE HA . . 3.900 3.754 3.730 3.780 . 0 0 "[ . 1 . 2]" 1
1135 1 58 LEU QD 1 63 PHE HB2 . . 3.910 2.567 2.526 2.692 . 0 0 "[ . 1 . 2]" 1
1136 1 58 LEU QD 1 63 PHE HB3 . . 3.550 1.902 1.875 2.000 . 0 0 "[ . 1 . 2]" 1
1137 1 58 LEU QD 1 63 PHE QD . . 3.770 2.802 2.573 3.002 . 0 0 "[ . 1 . 2]" 1
1138 1 58 LEU QD 1 64 GLN H . . 5.440 4.624 4.563 4.708 . 0 0 "[ . 1 . 2]" 1
1139 1 58 LEU QD 1 99 ILE MG . . 3.630 2.645 2.369 2.802 . 0 0 "[ . 1 . 2]" 1
1140 1 58 LEU QD 1 101 GLU H . . 4.850 3.092 2.959 3.252 . 0 0 "[ . 1 . 2]" 1
1141 1 58 LEU QD 1 101 GLU HA . . 3.400 2.585 2.450 2.676 . 0 0 "[ . 1 . 2]" 1
1142 1 58 LEU QD 1 101 GLU QB . . 3.410 1.878 1.790 1.937 . 0 0 "[ . 1 . 2]" 1
1143 1 58 LEU QD 1 101 GLU QG . . 4.310 2.672 2.456 3.080 . 0 0 "[ . 1 . 2]" 1
1144 1 58 LEU QD 1 102 LYS H . . 3.880 3.891 3.876 3.943 0.063 15 0 "[ . 1 . 2]" 1
1145 1 58 LEU MD1 1 63 PHE QD . . 5.060 2.839 2.585 3.045 . 0 0 "[ . 1 . 2]" 1
1146 1 58 LEU MD1 1 101 GLU QG . . 5.220 3.814 3.174 3.994 . 0 0 "[ . 1 . 2]" 1
1147 1 58 LEU MD2 1 63 PHE QD . . 5.060 4.352 4.092 4.744 . 0 0 "[ . 1 . 2]" 1
1148 1 58 LEU MD2 1 101 GLU QG . . 5.220 2.780 2.495 4.165 . 0 0 "[ . 1 . 2]" 1
1149 1 58 LEU HG 1 59 ARG HB2 . . 5.500 5.463 4.391 5.539 0.039 12 0 "[ . 1 . 2]" 1
1150 1 58 LEU HG 1 63 PHE HB2 . . 5.500 5.539 5.450 5.567 0.067 11 0 "[ . 1 . 2]" 1
1151 1 58 LEU HG 1 99 ILE MG . . 5.500 4.738 4.605 4.903 . 0 0 "[ . 1 . 2]" 1
1152 1 58 LEU HG 1 101 GLU HA . . 5.500 5.413 5.213 5.480 . 0 0 "[ . 1 . 2]" 1
1153 1 58 LEU HG 1 101 GLU QG . . 5.030 5.050 5.030 5.207 0.177 15 0 "[ . 1 . 2]" 1
1154 1 59 ARG H 1 59 ARG HB2 . . 3.880 2.332 2.296 2.455 . 0 0 "[ . 1 . 2]" 1
1155 1 59 ARG H 1 59 ARG HB3 . . 3.900 3.559 3.548 3.588 . 0 0 "[ . 1 . 2]" 1
1156 1 59 ARG H 1 59 ARG HD2 . . 5.500 3.456 2.148 4.336 . 0 0 "[ . 1 . 2]" 1
1157 1 59 ARG H 1 59 ARG HD3 . . 5.500 4.156 2.223 5.071 . 0 0 "[ . 1 . 2]" 1
1158 1 59 ARG H 1 59 ARG HG2 . . 4.700 3.869 3.547 4.030 . 0 0 "[ . 1 . 2]" 1
1159 1 59 ARG H 1 59 ARG QG . . 3.930 2.677 2.332 3.271 . 0 0 "[ . 1 . 2]" 1
1160 1 59 ARG H 1 59 ARG HG3 . . 4.700 2.745 2.361 3.474 . 0 0 "[ . 1 . 2]" 1
1161 1 59 ARG H 1 60 PRO HD2 . . 5.240 4.739 4.732 4.764 . 0 0 "[ . 1 . 2]" 1
1162 1 59 ARG H 1 60 PRO HD3 . . 5.170 5.045 5.029 5.050 . 0 0 "[ . 1 . 2]" 1
1163 1 59 ARG H 1 62 GLY HA3 . . 5.500 4.921 4.797 5.414 . 0 0 "[ . 1 . 2]" 1
1164 1 59 ARG HA 1 59 ARG HD2 . . 5.290 4.228 3.200 4.682 . 0 0 "[ . 1 . 2]" 1
1165 1 59 ARG HA 1 59 ARG QD . . 4.570 3.812 3.043 4.111 . 0 0 "[ . 1 . 2]" 1
1166 1 59 ARG HA 1 59 ARG HD3 . . 5.290 4.387 3.805 4.745 . 0 0 "[ . 1 . 2]" 1
1167 1 59 ARG HA 1 59 ARG HG2 . . 4.080 2.854 2.406 3.570 . 0 0 "[ . 1 . 2]" 1
1168 1 59 ARG HA 1 59 ARG QG . . 3.450 2.332 2.218 2.411 . 0 0 "[ . 1 . 2]" 1
1169 1 59 ARG HA 1 59 ARG HG3 . . 4.080 2.607 2.242 3.025 . 0 0 "[ . 1 . 2]" 1
1170 1 59 ARG HA 1 60 PRO HD2 . . 3.350 2.455 2.411 2.471 . 0 0 "[ . 1 . 2]" 1
1171 1 59 ARG HA 1 60 PRO HD3 . . 3.370 2.321 2.303 2.328 . 0 0 "[ . 1 . 2]" 1
1172 1 59 ARG HA 1 60 PRO QG . . 4.570 4.036 4.008 4.047 . 0 0 "[ . 1 . 2]" 1
1173 1 59 ARG HB2 1 59 ARG QD . . 2.390 2.203 1.991 2.391 0.001 3 0 "[ . 1 . 2]" 1
1174 1 59 ARG HB2 1 59 ARG QG . . 2.530 2.420 2.310 2.503 . 0 0 "[ . 1 . 2]" 1
1175 1 59 ARG HB2 1 60 PRO HA . . 5.500 5.489 5.339 5.527 0.027 1 0 "[ . 1 . 2]" 1
1176 1 59 ARG HB2 1 60 PRO HD2 . . 4.300 3.605 3.569 3.635 . 0 0 "[ . 1 . 2]" 1
1177 1 59 ARG HB2 1 60 PRO HD3 . . 4.950 4.691 4.663 4.708 . 0 0 "[ . 1 . 2]" 1
1178 1 59 ARG HB2 1 62 GLY H . . 3.600 2.925 2.755 3.598 . 0 0 "[ . 1 . 2]" 1
1179 1 59 ARG HB2 1 62 GLY HA3 . . 4.020 2.684 2.560 3.082 . 0 0 "[ . 1 . 2]" 1
1180 1 59 ARG HB2 1 63 PHE QD . . 5.500 4.618 4.438 4.877 . 0 0 "[ . 1 . 2]" 1
1181 1 59 ARG HB2 1 101 GLU HA . . 5.500 5.113 4.814 5.512 0.012 11 0 "[ . 1 . 2]" 1
1182 1 59 ARG HB3 1 59 ARG QD . . 3.510 2.737 2.348 3.264 . 0 0 "[ . 1 . 2]" 1
1183 1 59 ARG HB3 1 59 ARG QG . . 2.550 2.242 2.134 2.376 . 0 0 "[ . 1 . 2]" 1
1184 1 59 ARG HB3 1 60 PRO HA . . 5.000 4.784 4.754 4.900 . 0 0 "[ . 1 . 2]" 1
1185 1 59 ARG HB3 1 60 PRO HD2 . . 2.400 1.993 1.978 2.029 . 0 0 "[ . 1 . 2]" 1
1186 1 59 ARG HB3 1 60 PRO HD3 . . 3.970 3.443 3.429 3.475 . 0 0 "[ . 1 . 2]" 1
1187 1 59 ARG QD 1 62 GLY HA3 . . 4.700 2.822 2.240 3.827 . 0 0 "[ . 1 . 2]" 1
1188 1 59 ARG QG 1 60 PRO HD2 . . 3.920 2.794 2.648 3.205 . 0 0 "[ . 1 . 2]" 1
1189 1 59 ARG QG 1 60 PRO HD3 . . 4.630 3.627 3.535 3.974 . 0 0 "[ . 1 . 2]" 1
1190 1 60 PRO HA 1 61 GLY HA2 . . 4.900 4.545 4.542 4.548 . 0 0 "[ . 1 . 2]" 1
1191 1 60 PRO HA 1 61 GLY HA3 . . 5.500 5.166 5.131 5.182 . 0 0 "[ . 1 . 2]" 1
1192 1 60 PRO HB2 1 61 GLY HA3 . . 4.940 4.064 4.028 4.131 . 0 0 "[ . 1 . 2]" 1
1193 1 61 GLY H 1 62 GLY H . . 5.200 2.490 2.215 3.290 . 0 0 "[ . 1 . 2]" 1
1194 1 61 GLY HA2 1 62 GLY H . . 3.310 2.976 2.557 3.127 . 0 0 "[ . 1 . 2]" 1
1195 1 61 GLY HA2 1 63 PHE H . . 4.850 3.793 3.653 4.194 . 0 0 "[ . 1 . 2]" 1
1196 1 62 GLY H 1 63 PHE H . . 3.350 3.139 2.561 3.323 . 0 0 "[ . 1 . 2]" 1
1197 1 62 GLY H 1 63 PHE HA . . 5.180 5.047 4.652 5.190 0.010 5 0 "[ . 1 . 2]" 1
1198 1 62 GLY H 1 63 PHE HB3 . . 4.300 4.039 3.682 4.200 . 0 0 "[ . 1 . 2]" 1
1199 1 62 GLY H 1 63 PHE QD . . 3.350 2.837 2.180 3.126 . 0 0 "[ . 1 . 2]" 1
1200 1 62 GLY H 1 102 LYS H . . 5.500 5.401 5.136 5.495 . 0 0 "[ . 1 . 2]" 1
1201 1 62 GLY H 1 102 LYS QE . . 5.500 4.860 4.449 5.038 . 0 0 "[ . 1 . 2]" 1
1202 1 62 GLY H 1 102 LYS HG3 . . 5.500 5.496 5.449 5.507 0.007 15 0 "[ . 1 . 2]" 1
1203 1 62 GLY HA2 1 102 LYS HB2 . . 5.010 3.665 3.635 3.683 . 0 0 "[ . 1 . 2]" 1
1204 1 62 GLY HA2 1 102 LYS HB3 . . 5.050 5.042 5.014 5.090 0.040 15 0 "[ . 1 . 2]" 1
1205 1 62 GLY HA2 1 102 LYS QD . . 4.360 4.326 4.082 4.364 0.004 12 0 "[ . 1 . 2]" 1
1206 1 62 GLY HA3 1 101 GLU HA . . 5.500 5.489 5.291 5.520 0.020 14 0 "[ . 1 . 2]" 1
1207 1 62 GLY HA3 1 102 LYS H . . 4.440 4.246 4.119 4.299 . 0 0 "[ . 1 . 2]" 1
1208 1 62 GLY HA3 1 102 LYS HB3 . . 5.500 5.206 5.075 5.268 . 0 0 "[ . 1 . 2]" 1
1209 1 62 GLY HA3 1 102 LYS QD . . 5.500 5.261 4.772 5.368 . 0 0 "[ . 1 . 2]" 1
1210 1 62 GLY HA3 1 102 LYS QE . . 4.740 3.389 3.143 3.817 . 0 0 "[ . 1 . 2]" 1
1211 1 63 PHE H 1 63 PHE HB3 . . 3.570 3.213 3.189 3.267 . 0 0 "[ . 1 . 2]" 1
1212 1 63 PHE H 1 63 PHE QD . . 3.590 2.633 2.449 2.943 . 0 0 "[ . 1 . 2]" 1
1213 1 63 PHE H 1 64 GLN H . . 4.510 4.385 4.370 4.400 . 0 0 "[ . 1 . 2]" 1
1214 1 63 PHE H 1 101 GLU HA . . 5.020 4.744 4.609 4.785 . 0 0 "[ . 1 . 2]" 1
1215 1 63 PHE H 1 102 LYS H . . 4.420 4.203 4.110 4.245 . 0 0 "[ . 1 . 2]" 1
1216 1 63 PHE H 1 102 LYS HB2 . . 4.650 4.644 4.517 4.661 0.011 17 0 "[ . 1 . 2]" 1
1217 1 63 PHE H 1 102 LYS QD . . 5.030 4.586 4.344 5.028 . 0 0 "[ . 1 . 2]" 1
1218 1 63 PHE H 1 102 LYS QE . . 4.020 3.367 2.904 3.704 . 0 0 "[ . 1 . 2]" 1
1219 1 63 PHE H 1 102 LYS HG3 . . 4.690 3.303 3.168 3.627 . 0 0 "[ . 1 . 2]" 1
1220 1 63 PHE HA 1 63 PHE QD . . 4.250 3.718 3.709 3.726 . 0 0 "[ . 1 . 2]" 1
1221 1 63 PHE HA 1 64 GLN H . . 3.330 2.342 2.303 2.409 . 0 0 "[ . 1 . 2]" 1
1222 1 63 PHE HA 1 64 GLN HB2 . . 5.290 4.042 3.990 4.099 . 0 0 "[ . 1 . 2]" 1
1223 1 63 PHE HA 1 64 GLN HG2 . . 5.500 4.800 4.622 5.086 . 0 0 "[ . 1 . 2]" 1
1224 1 63 PHE HA 1 99 ILE MG . . 5.160 5.071 4.933 5.146 . 0 0 "[ . 1 . 2]" 1
1225 1 63 PHE HA 1 100 LYS H . . 5.410 5.027 4.888 5.085 . 0 0 "[ . 1 . 2]" 1
1226 1 63 PHE HA 1 101 GLU HA . . 3.340 2.394 2.290 2.454 . 0 0 "[ . 1 . 2]" 1
1227 1 63 PHE HA 1 101 GLU QB . . 5.340 4.065 3.978 4.125 . 0 0 "[ . 1 . 2]" 1
1228 1 63 PHE HA 1 101 GLU QG . . 5.330 5.330 5.205 5.367 0.037 18 0 "[ . 1 . 2]" 1
1229 1 63 PHE HA 1 102 LYS H . . 2.830 1.970 1.947 2.035 . 0 0 "[ . 1 . 2]" 1
1230 1 63 PHE HA 1 102 LYS HB2 . . 5.450 3.603 3.515 3.671 . 0 0 "[ . 1 . 2]" 1
1231 1 63 PHE HA 1 102 LYS HB3 . . 5.150 4.652 4.582 4.777 . 0 0 "[ . 1 . 2]" 1
1232 1 63 PHE HA 1 102 LYS QD . . 4.830 4.163 3.966 4.575 . 0 0 "[ . 1 . 2]" 1
1233 1 63 PHE HA 1 102 LYS QE . . 4.720 3.933 3.536 4.137 . 0 0 "[ . 1 . 2]" 1
1234 1 63 PHE HA 1 102 LYS HG2 . . 3.700 3.146 2.949 3.581 . 0 0 "[ . 1 . 2]" 1
1235 1 63 PHE HA 1 102 LYS HG3 . . 4.090 2.152 2.028 2.460 . 0 0 "[ . 1 . 2]" 1
1236 1 63 PHE HB2 1 64 GLN H . . 4.310 2.649 2.472 2.721 . 0 0 "[ . 1 . 2]" 1
1237 1 63 PHE HB2 1 99 ILE MD . . 5.370 5.136 4.902 5.236 . 0 0 "[ . 1 . 2]" 1
1238 1 63 PHE HB2 1 99 ILE MG . . 3.440 3.112 2.918 3.207 . 0 0 "[ . 1 . 2]" 1
1239 1 63 PHE HB2 1 101 GLU H . . 4.650 4.044 3.982 4.145 . 0 0 "[ . 1 . 2]" 1
1240 1 63 PHE HB2 1 101 GLU HA . . 4.000 2.250 2.195 2.406 . 0 0 "[ . 1 . 2]" 1
1241 1 63 PHE HB2 1 101 GLU QG . . 5.390 4.963 4.935 5.000 . 0 0 "[ . 1 . 2]" 1
1242 1 63 PHE HB2 1 102 LYS H . . 4.170 3.669 3.608 3.834 . 0 0 "[ . 1 . 2]" 1
1243 1 63 PHE HB3 1 64 GLN H . . 4.380 3.971 3.852 4.011 . 0 0 "[ . 1 . 2]" 1
1244 1 63 PHE HB3 1 99 ILE MG . . 4.350 4.082 3.833 4.163 . 0 0 "[ . 1 . 2]" 1
1245 1 63 PHE HB3 1 101 GLU H . . 5.500 4.836 4.547 4.988 . 0 0 "[ . 1 . 2]" 1
1246 1 63 PHE HB3 1 101 GLU HA . . 3.890 2.368 2.233 2.474 . 0 0 "[ . 1 . 2]" 1
1247 1 63 PHE HB3 1 101 GLU QG . . 5.500 5.103 4.960 5.186 . 0 0 "[ . 1 . 2]" 1
1248 1 63 PHE HB3 1 102 LYS H . . 3.960 3.391 3.328 3.449 . 0 0 "[ . 1 . 2]" 1
1249 1 63 PHE QD 1 64 GLN H . . 3.880 3.277 3.057 3.430 . 0 0 "[ . 1 . 2]" 1
1250 1 63 PHE QD 1 64 GLN HA . . 4.780 3.902 3.613 4.089 . 0 0 "[ . 1 . 2]" 1
1251 1 63 PHE QD 1 64 GLN HB2 . . 5.500 5.310 5.121 5.438 . 0 0 "[ . 1 . 2]" 1
1252 1 63 PHE QD 1 65 ALA MB . . 4.170 3.586 3.435 3.715 . 0 0 "[ . 1 . 2]" 1
1253 1 63 PHE QD 1 99 ILE MD . . 4.220 3.276 3.029 3.407 . 0 0 "[ . 1 . 2]" 1
1254 1 63 PHE QD 1 99 ILE MG . . 3.480 2.119 1.959 2.364 . 0 0 "[ . 1 . 2]" 1
1255 1 63 PHE QD 1 101 GLU HA . . 4.750 4.174 4.143 4.212 . 0 0 "[ . 1 . 2]" 1
1256 1 63 PHE QD 1 102 LYS H . . 5.330 4.943 4.904 4.997 . 0 0 "[ . 1 . 2]" 1
1257 1 63 PHE QE 1 65 ALA H . . 4.670 4.310 3.864 4.606 . 0 0 "[ . 1 . 2]" 1
1258 1 63 PHE QE 1 65 ALA MB . . 3.020 2.767 2.485 3.024 0.004 11 0 "[ . 1 . 2]" 1
1259 1 63 PHE QE 1 99 ILE MD . . 4.440 2.660 2.469 3.033 . 0 0 "[ . 1 . 2]" 1
1260 1 63 PHE QE 1 99 ILE MG . . 5.340 2.636 2.368 2.923 . 0 0 "[ . 1 . 2]" 1
1261 1 64 GLN H 1 64 GLN HB2 . . 3.140 2.493 2.427 2.545 . 0 0 "[ . 1 . 2]" 1
1262 1 64 GLN H 1 64 GLN HB3 . . 3.900 3.445 3.349 3.508 . 0 0 "[ . 1 . 2]" 1
1263 1 64 GLN H 1 64 GLN HG2 . . 4.690 3.979 3.807 4.180 . 0 0 "[ . 1 . 2]" 1
1264 1 64 GLN H 1 64 GLN HG3 . . 5.200 4.759 4.653 4.854 . 0 0 "[ . 1 . 2]" 1
1265 1 64 GLN H 1 65 ALA H . . 4.500 4.322 4.256 4.411 . 0 0 "[ . 1 . 2]" 1
1266 1 64 GLN H 1 99 ILE HA . . 5.230 5.144 4.956 5.202 . 0 0 "[ . 1 . 2]" 1
1267 1 64 GLN H 1 99 ILE MG . . 4.410 4.378 4.241 4.419 0.009 12 0 "[ . 1 . 2]" 1
1268 1 64 GLN H 1 100 LYS H . . 3.390 3.369 3.222 3.400 0.010 1 0 "[ . 1 . 2]" 1
1269 1 64 GLN H 1 100 LYS HB3 . . 5.260 4.148 4.073 4.274 . 0 0 "[ . 1 . 2]" 1
1270 1 64 GLN H 1 101 GLU HA . . 3.810 3.594 3.542 3.702 . 0 0 "[ . 1 . 2]" 1
1271 1 64 GLN H 1 102 LYS H . . 4.250 3.881 3.823 3.995 . 0 0 "[ . 1 . 2]" 1
1272 1 64 GLN H 1 102 LYS HA . . 5.190 4.770 4.584 4.875 . 0 0 "[ . 1 . 2]" 1
1273 1 64 GLN H 1 102 LYS HB2 . . 5.500 5.477 5.393 5.510 0.010 1 0 "[ . 1 . 2]" 1
1274 1 64 GLN H 1 102 LYS QD . . 5.500 4.678 4.366 5.283 . 0 0 "[ . 1 . 2]" 1
1275 1 64 GLN H 1 102 LYS HG2 . . 4.940 3.646 3.432 4.200 . 0 0 "[ . 1 . 2]" 1
1276 1 64 GLN H 1 102 LYS HG3 . . 5.020 3.574 3.491 3.825 . 0 0 "[ . 1 . 2]" 1
1277 1 64 GLN HA 1 64 GLN HE21 . . 4.370 3.077 3.010 3.138 . 0 0 "[ . 1 . 2]" 1
1278 1 64 GLN HA 1 64 GLN HE22 . . 3.930 3.452 3.393 3.508 . 0 0 "[ . 1 . 2]" 1
1279 1 64 GLN HA 1 64 GLN HG2 . . 3.420 2.692 2.657 2.732 . 0 0 "[ . 1 . 2]" 1
1280 1 64 GLN HA 1 64 GLN HG3 . . 3.800 3.573 3.566 3.582 . 0 0 "[ . 1 . 2]" 1
1281 1 64 GLN HA 1 65 ALA H . . 2.750 2.154 2.142 2.180 . 0 0 "[ . 1 . 2]" 1
1282 1 64 GLN HA 1 65 ALA MB . . 4.130 3.980 3.961 3.996 . 0 0 "[ . 1 . 2]" 1
1283 1 64 GLN HB2 1 64 GLN HE21 . . 3.800 3.539 3.526 3.565 . 0 0 "[ . 1 . 2]" 1
1284 1 64 GLN HB2 1 64 GLN HE22 . . 5.160 4.863 4.859 4.872 . 0 0 "[ . 1 . 2]" 1
1285 1 64 GLN HB2 1 65 ALA H . . 4.640 4.448 4.357 4.508 . 0 0 "[ . 1 . 2]" 1
1286 1 64 GLN HB2 1 102 LYS HG2 . . 3.840 3.160 2.986 3.547 . 0 0 "[ . 1 . 2]" 1
1287 1 64 GLN HB3 1 64 GLN HE21 . . 3.540 2.011 1.990 2.058 . 0 0 "[ . 1 . 2]" 1
1288 1 64 GLN HB3 1 64 GLN HE22 . . 3.910 3.597 3.573 3.643 . 0 0 "[ . 1 . 2]" 1
1289 1 64 GLN HB3 1 65 ALA H . . 3.690 3.496 3.289 3.640 . 0 0 "[ . 1 . 2]" 1
1290 1 64 GLN HB3 1 65 ALA MB . . 5.500 4.951 4.851 5.023 . 0 0 "[ . 1 . 2]" 1
1291 1 64 GLN HB3 1 100 LYS HB2 . . 5.200 4.729 4.487 4.933 . 0 0 "[ . 1 . 2]" 1
1292 1 64 GLN HE21 1 64 GLN HG3 . . 3.160 2.750 2.740 2.757 . 0 0 "[ . 1 . 2]" 1
1293 1 64 GLN HE21 1 65 ALA H . . 3.900 2.953 2.808 3.089 . 0 0 "[ . 1 . 2]" 1
1294 1 64 GLN HE21 1 65 ALA MB . . 4.370 4.358 4.249 4.386 0.016 11 0 "[ . 1 . 2]" 1
1295 1 64 GLN HE21 1 66 HIS H . . 5.500 5.189 4.751 5.462 . 0 0 "[ . 1 . 2]" 1
1296 1 64 GLN HE21 1 76 ALA HA . . 4.540 2.857 2.690 3.056 . 0 0 "[ . 1 . 2]" 1
1297 1 64 GLN HE21 1 76 ALA MB . . 4.290 1.947 1.887 2.077 . 0 0 "[ . 1 . 2]" 1
1298 1 64 GLN HE21 1 77 PHE H . . 3.850 3.581 3.478 3.843 . 0 0 "[ . 1 . 2]" 1
1299 1 64 GLN HE22 1 65 ALA H . . 3.840 2.956 2.709 3.060 . 0 0 "[ . 1 . 2]" 1
1300 1 64 GLN HE22 1 76 ALA HA . . 4.210 3.558 3.241 3.849 . 0 0 "[ . 1 . 2]" 1
1301 1 64 GLN HE22 1 76 ALA MB . . 3.360 2.949 2.762 3.102 . 0 0 "[ . 1 . 2]" 1
1302 1 64 GLN HE22 1 77 PHE H . . 3.640 3.200 2.964 3.410 . 0 0 "[ . 1 . 2]" 1
1303 1 64 GLN HG2 1 65 ALA H . . 4.760 4.547 4.408 4.615 . 0 0 "[ . 1 . 2]" 1
1304 1 64 GLN HG2 1 76 ALA MB . . 4.310 4.155 4.033 4.312 0.002 18 0 "[ . 1 . 2]" 1
1305 1 64 GLN HG2 1 102 LYS QD . . 3.850 2.908 2.443 3.695 . 0 0 "[ . 1 . 2]" 1
1306 1 64 GLN HG2 1 102 LYS HG2 . . 5.310 3.868 3.549 4.232 . 0 0 "[ . 1 . 2]" 1
1307 1 64 GLN HG3 1 65 ALA H . . 4.940 4.865 4.739 4.958 0.018 15 0 "[ . 1 . 2]" 1
1308 1 64 GLN HG3 1 76 ALA MB . . 3.580 2.869 2.752 3.014 . 0 0 "[ . 1 . 2]" 1
1309 1 65 ALA H 1 65 ALA MB . . 3.070 2.275 2.234 2.316 . 0 0 "[ . 1 . 2]" 1
1310 1 65 ALA H 1 66 HIS H . . 4.530 4.479 4.450 4.540 0.010 12 0 "[ . 1 . 2]" 1
1311 1 65 ALA H 1 76 ALA HA . . 4.900 4.633 4.299 4.918 0.018 4 0 "[ . 1 . 2]" 1
1312 1 65 ALA H 1 76 ALA MB . . 4.680 4.382 4.099 4.636 . 0 0 "[ . 1 . 2]" 1
1313 1 65 ALA H 1 77 PHE H . . 4.720 4.448 4.139 4.729 0.009 17 0 "[ . 1 . 2]" 1
1314 1 65 ALA H 1 77 PHE QE . . 5.250 4.720 4.553 4.807 . 0 0 "[ . 1 . 2]" 1
1315 1 65 ALA H 1 99 ILE MD . . 4.540 4.405 4.167 4.544 0.004 15 0 "[ . 1 . 2]" 1
1316 1 65 ALA H 1 100 LYS H . . 5.170 4.932 4.832 5.061 . 0 0 "[ . 1 . 2]" 1
1317 1 65 ALA HA 1 98 TYR H . . 4.940 4.678 4.532 4.856 . 0 0 "[ . 1 . 2]" 1
1318 1 65 ALA HA 1 99 ILE MD . . 4.010 2.806 2.680 2.954 . 0 0 "[ . 1 . 2]" 1
1319 1 65 ALA MB 1 66 HIS H . . 3.690 3.091 2.907 3.189 . 0 0 "[ . 1 . 2]" 1
1320 1 65 ALA MB 1 66 HIS HA . . 5.130 4.182 4.121 4.221 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ALA MB 1 77 PHE QD . . 3.780 3.487 3.389 3.629 . 0 0 "[ . 1 . 2]" 1
1322 1 65 ALA MB 1 77 PHE QE . . 3.030 2.190 2.043 2.488 . 0 0 "[ . 1 . 2]" 1
1323 1 65 ALA MB 1 77 PHE HZ . . 4.070 2.407 2.256 2.577 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ALA MB 1 97 ILE HB . . 3.400 2.903 2.715 3.142 . 0 0 "[ . 1 . 2]" 1
1325 1 65 ALA MB 1 99 ILE HA . . 4.490 3.304 3.067 3.662 . 0 0 "[ . 1 . 2]" 1
1326 1 65 ALA MB 1 99 ILE MD . . 3.220 2.113 1.846 2.442 . 0 0 "[ . 1 . 2]" 1
1327 1 65 ALA MB 1 99 ILE QG . . 4.480 4.010 3.747 4.326 . 0 0 "[ . 1 . 2]" 1
1328 1 65 ALA MB 1 99 ILE MG . . 4.050 3.457 3.264 3.880 . 0 0 "[ . 1 . 2]" 1
1329 1 66 HIS H 1 67 TYR H . . 4.870 4.482 4.447 4.535 . 0 0 "[ . 1 . 2]" 1
1330 1 66 HIS H 1 74 LEU QD . . 5.440 3.983 3.755 4.369 . 0 0 "[ . 1 . 2]" 1
1331 1 66 HIS H 1 76 ALA MB . . 5.500 4.969 4.752 5.113 . 0 0 "[ . 1 . 2]" 1
1332 1 66 HIS H 1 97 ILE HA . . 5.500 5.207 4.629 5.478 . 0 0 "[ . 1 . 2]" 1
1333 1 66 HIS H 1 97 ILE HB . . 4.720 4.056 3.654 4.338 . 0 0 "[ . 1 . 2]" 1
1334 1 66 HIS H 1 97 ILE MG . . 5.190 4.977 4.598 5.176 . 0 0 "[ . 1 . 2]" 1
1335 1 66 HIS H 1 98 TYR H . . 3.580 3.198 2.817 3.459 . 0 0 "[ . 1 . 2]" 1
1336 1 66 HIS H 1 98 TYR HB2 . . 3.680 3.209 3.088 3.386 . 0 0 "[ . 1 . 2]" 1
1337 1 66 HIS H 1 98 TYR HB3 . . 4.700 4.201 4.034 4.489 . 0 0 "[ . 1 . 2]" 1
1338 1 66 HIS H 1 98 TYR QD . . 5.500 4.823 4.648 5.032 . 0 0 "[ . 1 . 2]" 1
1339 1 66 HIS H 1 99 ILE H . . 5.070 4.820 4.664 4.918 . 0 0 "[ . 1 . 2]" 1
1340 1 66 HIS H 1 99 ILE MD . . 3.990 3.878 3.602 3.992 0.002 10 0 "[ . 1 . 2]" 1
1341 1 66 HIS H 1 99 ILE QG . . 5.500 5.370 5.140 5.494 . 0 0 "[ . 1 . 2]" 1
1342 1 66 HIS H 1 100 LYS H . . 4.600 4.487 4.280 4.616 0.016 12 0 "[ . 1 . 2]" 1
1343 1 66 HIS HA 1 75 VAL H . . 4.680 3.699 3.498 3.931 . 0 0 "[ . 1 . 2]" 1
1344 1 66 HIS HA 1 75 VAL HB . . 5.500 4.850 4.515 5.080 . 0 0 "[ . 1 . 2]" 1
1345 1 66 HIS HA 1 76 ALA H . . 4.470 4.000 3.857 4.165 . 0 0 "[ . 1 . 2]" 1
1346 1 66 HIS HA 1 76 ALA HA . . 3.430 2.199 2.015 2.395 . 0 0 "[ . 1 . 2]" 1
1347 1 66 HIS HA 1 76 ALA MB . . 3.990 3.770 3.603 3.969 . 0 0 "[ . 1 . 2]" 1
1348 1 66 HIS HA 1 77 PHE H . . 4.140 2.786 2.582 2.943 . 0 0 "[ . 1 . 2]" 1
1349 1 66 HIS HA 1 77 PHE QD . . 4.140 2.996 2.490 3.201 . 0 0 "[ . 1 . 2]" 1
1350 1 66 HIS HA 1 77 PHE QE . . 4.710 4.041 3.430 4.372 . 0 0 "[ . 1 . 2]" 1
1351 1 66 HIS HA 1 98 TYR H . . 5.080 4.750 4.464 4.919 . 0 0 "[ . 1 . 2]" 1
1352 1 66 HIS HB2 1 74 LEU MD1 . . 4.890 2.875 2.509 3.571 . 0 0 "[ . 1 . 2]" 1
1353 1 66 HIS HB2 1 74 LEU QD . . 3.810 2.163 2.010 2.363 . 0 0 "[ . 1 . 2]" 1
1354 1 66 HIS HB2 1 74 LEU MD2 . . 4.890 2.247 2.090 2.415 . 0 0 "[ . 1 . 2]" 1
1355 1 66 HIS HB2 1 75 VAL H . . 5.170 4.466 4.176 4.869 . 0 0 "[ . 1 . 2]" 1
1356 1 66 HIS HB2 1 76 ALA HA . . 4.650 4.520 4.340 4.657 0.007 7 0 "[ . 1 . 2]" 1
1357 1 66 HIS HB2 1 98 TYR HB2 . . 4.940 2.271 1.995 2.532 . 0 0 "[ . 1 . 2]" 1
1358 1 66 HIS HB2 1 98 TYR HB3 . . 5.110 3.534 3.379 3.633 . 0 0 "[ . 1 . 2]" 1
1359 1 66 HIS HB2 1 98 TYR QD . . 4.970 4.088 3.558 4.464 . 0 0 "[ . 1 . 2]" 1
1360 1 66 HIS HB3 1 67 TYR H . . 4.840 2.982 2.420 3.200 . 0 0 "[ . 1 . 2]" 1
1361 1 66 HIS HB3 1 74 LEU HB2 . . 5.500 3.874 3.720 4.154 . 0 0 "[ . 1 . 2]" 1
1362 1 66 HIS HB3 1 74 LEU MD1 . . 5.040 3.313 2.867 3.981 . 0 0 "[ . 1 . 2]" 1
1363 1 66 HIS HB3 1 74 LEU QD . . 3.670 2.092 1.908 2.649 . 0 0 "[ . 1 . 2]" 1
1364 1 66 HIS HB3 1 74 LEU MD2 . . 5.040 2.116 1.931 2.691 . 0 0 "[ . 1 . 2]" 1
1365 1 66 HIS HB3 1 75 VAL H . . 3.810 2.833 2.480 3.230 . 0 0 "[ . 1 . 2]" 1
1366 1 66 HIS HB3 1 76 ALA H . . 4.300 4.140 3.848 4.312 0.012 16 0 "[ . 1 . 2]" 1
1367 1 66 HIS HB3 1 76 ALA HA . . 4.530 3.794 3.389 4.036 . 0 0 "[ . 1 . 2]" 1
1368 1 66 HIS HB3 1 76 ALA MB . . 4.750 4.442 3.901 4.653 . 0 0 "[ . 1 . 2]" 1
1369 1 66 HIS HB3 1 98 TYR HB2 . . 4.890 3.764 3.582 4.005 . 0 0 "[ . 1 . 2]" 1
1370 1 66 HIS HB3 1 98 TYR HB3 . . 5.240 5.163 4.994 5.247 0.007 18 0 "[ . 1 . 2]" 1
1371 1 66 HIS HD2 1 76 ALA H . . 4.250 3.178 2.260 4.235 . 0 0 "[ . 1 . 2]" 1
1372 1 66 HIS HD2 1 76 ALA HA . . 4.380 2.759 1.986 3.515 . 0 0 "[ . 1 . 2]" 1
1373 1 66 HIS HD2 1 76 ALA MB . . 3.910 2.570 2.165 3.129 . 0 0 "[ . 1 . 2]" 1
1374 1 67 TYR H 1 67 TYR QD . . 3.840 2.430 2.035 2.868 . 0 0 "[ . 1 . 2]" 1
1375 1 67 TYR H 1 67 TYR QE . . 4.560 4.227 3.987 4.430 . 0 0 "[ . 1 . 2]" 1
1376 1 67 TYR H 1 74 LEU HA . . 4.740 4.028 3.519 4.459 . 0 0 "[ . 1 . 2]" 1
1377 1 67 TYR H 1 74 LEU HB3 . . 4.930 4.719 4.240 4.931 0.001 15 0 "[ . 1 . 2]" 1
1378 1 67 TYR H 1 74 LEU QD . . 4.590 3.501 2.960 4.063 . 0 0 "[ . 1 . 2]" 1
1379 1 67 TYR H 1 75 VAL H . . 2.810 2.519 2.162 2.808 . 0 0 "[ . 1 . 2]" 1
1380 1 67 TYR H 1 75 VAL HA . . 4.720 4.627 4.469 4.725 0.005 13 0 "[ . 1 . 2]" 1
1381 1 67 TYR H 1 75 VAL HB . . 4.860 3.463 3.134 3.644 . 0 0 "[ . 1 . 2]" 1
1382 1 67 TYR H 1 75 VAL MG1 . . 4.560 4.369 4.174 4.531 . 0 0 "[ . 1 . 2]" 1
1383 1 67 TYR H 1 75 VAL QG . . 4.010 3.938 3.729 4.026 0.016 14 0 "[ . 1 . 2]" 1
1384 1 67 TYR H 1 75 VAL MG2 . . 4.560 4.483 4.123 4.571 0.011 18 0 "[ . 1 . 2]" 1
1385 1 67 TYR H 1 76 ALA H . . 5.010 4.790 4.648 4.945 . 0 0 "[ . 1 . 2]" 1
1386 1 67 TYR H 1 76 ALA HA . . 5.150 3.943 3.579 4.352 . 0 0 "[ . 1 . 2]" 1
1387 1 67 TYR H 1 77 PHE H . . 4.530 3.831 3.473 4.326 . 0 0 "[ . 1 . 2]" 1
1388 1 67 TYR H 1 77 PHE QD . . 4.020 2.952 2.612 3.281 . 0 0 "[ . 1 . 2]" 1
1389 1 67 TYR H 1 98 TYR H . . 4.910 4.835 4.536 4.926 0.016 3 0 "[ . 1 . 2]" 1
1390 1 67 TYR HA 1 67 TYR QD . . 4.470 3.719 3.706 3.731 . 0 0 "[ . 1 . 2]" 1
1391 1 67 TYR HA 1 68 ARG H . . 3.460 2.199 2.177 2.235 . 0 0 "[ . 1 . 2]" 1
1392 1 67 TYR HA 1 68 ARG QB . . 4.790 4.267 4.164 4.362 . 0 0 "[ . 1 . 2]" 1
1393 1 67 TYR HA 1 86 ALA MB . . 5.200 5.045 4.703 5.202 0.002 1 0 "[ . 1 . 2]" 1
1394 1 67 TYR HA 1 97 ILE HA . . 4.190 2.968 2.571 3.166 . 0 0 "[ . 1 . 2]" 1
1395 1 67 TYR HA 1 97 ILE HB . . 5.090 4.215 3.873 4.542 . 0 0 "[ . 1 . 2]" 1
1396 1 67 TYR HA 1 97 ILE MG . . 4.780 3.034 2.719 3.479 . 0 0 "[ . 1 . 2]" 1
1397 1 67 TYR HA 1 98 TYR H . . 3.570 3.370 3.191 3.499 . 0 0 "[ . 1 . 2]" 1
1398 1 67 TYR HA 1 98 TYR QD . . 4.060 3.376 3.240 3.497 . 0 0 "[ . 1 . 2]" 1
1399 1 67 TYR HA 1 98 TYR QE . . 4.820 4.718 4.367 4.825 0.005 13 0 "[ . 1 . 2]" 1
1400 1 67 TYR HB2 1 68 ARG H . . 3.340 3.074 2.947 3.157 . 0 0 "[ . 1 . 2]" 1
1401 1 67 TYR HB2 1 68 ARG QB . . 5.340 5.070 4.698 5.334 . 0 0 "[ . 1 . 2]" 1
1402 1 67 TYR HB2 1 83 LEU QD . . 5.440 5.379 5.194 5.448 0.008 9 0 "[ . 1 . 2]" 1
1403 1 67 TYR HB2 1 86 ALA HA . . 4.890 4.730 4.225 4.901 0.011 17 0 "[ . 1 . 2]" 1
1404 1 67 TYR HB2 1 86 ALA MB . . 4.400 3.018 2.694 3.189 . 0 0 "[ . 1 . 2]" 1
1405 1 67 TYR HB2 1 97 ILE MG . . 5.320 2.993 2.858 3.371 . 0 0 "[ . 1 . 2]" 1
1406 1 67 TYR HB2 1 98 TYR H . . 5.500 5.362 5.091 5.510 0.010 6 0 "[ . 1 . 2]" 1
1407 1 67 TYR HB3 1 68 ARG H . . 4.400 4.212 4.148 4.252 . 0 0 "[ . 1 . 2]" 1
1408 1 67 TYR HB3 1 86 ALA MB . . 4.100 3.461 3.123 3.651 . 0 0 "[ . 1 . 2]" 1
1409 1 67 TYR HB3 1 97 ILE HA . . 5.040 4.353 4.058 4.744 . 0 0 "[ . 1 . 2]" 1
1410 1 67 TYR QD 1 68 ARG H . . 4.670 3.677 3.541 3.912 . 0 0 "[ . 1 . 2]" 1
1411 1 67 TYR QD 1 69 ALA HA . . 5.110 3.559 3.131 3.789 . 0 0 "[ . 1 . 2]" 1
1412 1 67 TYR QD 1 75 VAL H . . 5.180 4.081 3.833 4.217 . 0 0 "[ . 1 . 2]" 1
1413 1 67 TYR QD 1 75 VAL HB . . 4.640 3.281 3.143 3.412 . 0 0 "[ . 1 . 2]" 1
1414 1 67 TYR QD 1 77 PHE H . . 5.180 3.230 3.038 3.582 . 0 0 "[ . 1 . 2]" 1
1415 1 67 TYR QD 1 77 PHE QD . . 3.470 1.994 1.990 2.003 . 0 0 "[ . 1 . 2]" 1
1416 1 67 TYR QD 1 77 PHE QE . . 4.340 4.072 3.959 4.166 . 0 0 "[ . 1 . 2]" 1
1417 1 67 TYR QD 1 86 ALA HA . . 4.980 3.422 2.994 3.812 . 0 0 "[ . 1 . 2]" 1
1418 1 67 TYR QD 1 86 ALA MB . . 4.230 2.926 2.521 3.287 . 0 0 "[ . 1 . 2]" 1
1419 1 67 TYR QE 1 69 ALA H . . 5.150 4.868 4.298 5.160 0.010 17 0 "[ . 1 . 2]" 1
1420 1 67 TYR QE 1 69 ALA HA . . 4.490 3.114 2.507 3.472 . 0 0 "[ . 1 . 2]" 1
1421 1 67 TYR QE 1 69 ALA MB . . 4.210 2.967 2.384 3.366 . 0 0 "[ . 1 . 2]" 1
1422 1 67 TYR QE 1 75 VAL H . . 5.260 4.751 4.565 4.891 . 0 0 "[ . 1 . 2]" 1
1423 1 67 TYR QE 1 75 VAL HB . . 4.680 2.690 2.502 2.805 . 0 0 "[ . 1 . 2]" 1
1424 1 67 TYR QE 1 75 VAL MG1 . . 5.000 2.203 2.007 2.460 . 0 0 "[ . 1 . 2]" 1
1425 1 67 TYR QE 1 75 VAL QG . . 3.850 2.186 1.999 2.429 . 0 0 "[ . 1 . 2]" 1
1426 1 67 TYR QE 1 75 VAL MG2 . . 5.000 3.708 3.579 3.784 . 0 0 "[ . 1 . 2]" 1
1427 1 67 TYR QE 1 77 PHE HB3 . . 4.270 2.540 2.345 2.962 . 0 0 "[ . 1 . 2]" 1
1428 1 67 TYR QE 1 77 PHE QD . . 4.340 4.036 3.930 4.111 . 0 0 "[ . 1 . 2]" 1
1429 1 67 TYR QE 1 86 ALA H . . 5.500 4.839 4.334 5.335 . 0 0 "[ . 1 . 2]" 1
1430 1 67 TYR QE 1 86 ALA HA . . 4.660 3.244 2.632 3.854 . 0 0 "[ . 1 . 2]" 1
1431 1 67 TYR QE 1 86 ALA MB . . 4.630 3.567 3.139 4.095 . 0 0 "[ . 1 . 2]" 1
1432 1 68 ARG H 1 68 ARG HB2 . . 3.710 3.117 2.148 3.611 . 0 0 "[ . 1 . 2]" 1
1433 1 68 ARG H 1 68 ARG QB . . 3.150 2.384 2.128 2.588 . 0 0 "[ . 1 . 2]" 1
1434 1 68 ARG H 1 68 ARG HB3 . . 3.710 2.876 2.384 3.553 . 0 0 "[ . 1 . 2]" 1
1435 1 68 ARG H 1 68 ARG HD2 . . 5.250 4.646 4.256 5.139 . 0 0 "[ . 1 . 2]" 1
1436 1 68 ARG H 1 68 ARG QD . . 4.550 4.180 3.947 4.552 0.002 10 0 "[ . 1 . 2]" 1
1437 1 68 ARG H 1 68 ARG HD3 . . 5.250 4.808 4.230 5.254 0.004 11 0 "[ . 1 . 2]" 1
1438 1 68 ARG H 1 68 ARG QG . . 3.250 2.486 2.092 3.048 . 0 0 "[ . 1 . 2]" 1
1439 1 68 ARG H 1 69 ALA H . . 4.780 4.538 4.408 4.615 . 0 0 "[ . 1 . 2]" 1
1440 1 68 ARG H 1 69 ALA HA . . 5.450 5.358 5.306 5.405 . 0 0 "[ . 1 . 2]" 1
1441 1 68 ARG H 1 74 LEU HA . . 5.200 4.811 4.442 5.132 . 0 0 "[ . 1 . 2]" 1
1442 1 68 ARG H 1 74 LEU QD . . 4.170 3.706 3.363 4.168 . 0 0 "[ . 1 . 2]" 1
1443 1 68 ARG H 1 75 VAL H . . 5.290 5.046 4.790 5.294 0.004 11 0 "[ . 1 . 2]" 1
1444 1 68 ARG H 1 86 ALA MB . . 5.500 5.474 5.274 5.511 0.011 7 0 "[ . 1 . 2]" 1
1445 1 68 ARG H 1 97 ILE HA . . 4.610 4.099 3.865 4.374 . 0 0 "[ . 1 . 2]" 1
1446 1 68 ARG H 1 98 TYR QD . . 3.870 3.810 3.668 3.876 0.006 7 0 "[ . 1 . 2]" 1
1447 1 68 ARG H 1 98 TYR QE . . 4.010 3.902 3.470 4.009 . 0 0 "[ . 1 . 2]" 1
1448 1 68 ARG HA 1 69 ALA H . . 3.170 2.177 2.141 2.261 . 0 0 "[ . 1 . 2]" 1
1449 1 68 ARG QB 1 68 ARG QD . . 3.280 2.103 1.959 2.305 . 0 0 "[ . 1 . 2]" 1
1450 1 68 ARG QB 1 69 ALA H . . 3.700 3.148 2.765 3.545 . 0 0 "[ . 1 . 2]" 1
1451 1 68 ARG QB 1 72 GLY H . . 4.980 4.297 4.017 4.757 . 0 0 "[ . 1 . 2]" 1
1452 1 68 ARG QB 1 72 GLY HA2 . . 4.700 2.834 2.467 3.457 . 0 0 "[ . 1 . 2]" 1
1453 1 68 ARG QB 1 72 GLY HA3 . . 5.070 4.364 3.921 5.030 . 0 0 "[ . 1 . 2]" 1
1454 1 68 ARG QB 1 73 ASP H . . 5.340 4.841 4.408 5.216 . 0 0 "[ . 1 . 2]" 1
1455 1 68 ARG QB 1 74 LEU QD . . 4.600 3.551 2.946 4.411 . 0 0 "[ . 1 . 2]" 1
1456 1 68 ARG QB 1 98 TYR QE . . 3.980 3.285 2.847 3.725 . 0 0 "[ . 1 . 2]" 1
1457 1 68 ARG HB2 1 68 ARG HD2 . . 4.180 2.810 2.168 3.719 . 0 0 "[ . 1 . 2]" 1
1458 1 68 ARG HB2 1 68 ARG HD3 . . 4.180 2.930 1.995 4.014 . 0 0 "[ . 1 . 2]" 1
1459 1 68 ARG HB3 1 68 ARG HD2 . . 4.180 3.205 2.104 4.127 . 0 0 "[ . 1 . 2]" 1
1460 1 68 ARG HB3 1 68 ARG HD3 . . 4.180 3.212 2.420 3.618 . 0 0 "[ . 1 . 2]" 1
1461 1 68 ARG QD 1 69 ALA H . . 4.660 3.719 3.196 4.593 . 0 0 "[ . 1 . 2]" 1
1462 1 68 ARG QD 1 72 GLY H . . 4.510 4.220 3.449 4.514 0.004 17 0 "[ . 1 . 2]" 1
1463 1 68 ARG QD 1 72 GLY HA3 . . 4.830 4.133 2.964 4.834 0.004 13 0 "[ . 1 . 2]" 1
1464 1 68 ARG HD2 1 72 GLY HA2 . . 4.770 3.359 2.100 3.910 . 0 0 "[ . 1 . 2]" 1
1465 1 68 ARG HD2 1 72 GLY HA3 . . 5.500 4.842 3.341 5.530 0.030 8 0 "[ . 1 . 2]" 1
1466 1 68 ARG HD3 1 72 GLY HA2 . . 4.770 3.413 2.170 4.126 . 0 0 "[ . 1 . 2]" 1
1467 1 68 ARG HD3 1 72 GLY HA3 . . 5.500 4.751 2.996 5.504 0.004 1 0 "[ . 1 . 2]" 1
1468 1 68 ARG QG 1 69 ALA H . . 4.650 4.197 3.778 4.505 . 0 0 "[ . 1 . 2]" 1
1469 1 68 ARG QG 1 72 GLY HA2 . . 5.230 4.394 3.124 4.977 . 0 0 "[ . 1 . 2]" 1
1470 1 68 ARG QG 1 74 LEU QD . . 4.500 3.832 2.443 4.512 0.012 8 0 "[ . 1 . 2]" 1
1471 1 68 ARG HG2 1 69 ALA H . . 5.500 4.976 3.883 5.504 0.004 20 0 "[ . 1 . 2]" 1
1472 1 68 ARG HG3 1 69 ALA H . . 5.500 4.739 4.088 5.483 . 0 0 "[ . 1 . 2]" 1
1473 1 69 ALA H 1 69 ALA MB . . 3.110 2.348 2.262 2.427 . 0 0 "[ . 1 . 2]" 1
1474 1 69 ALA H 1 72 GLY H . . 3.990 3.027 2.695 3.396 . 0 0 "[ . 1 . 2]" 1
1475 1 69 ALA H 1 73 ASP H . . 3.990 3.369 2.618 3.951 . 0 0 "[ . 1 . 2]" 1
1476 1 69 ALA H 1 73 ASP QB . . 5.340 4.464 3.932 5.079 . 0 0 "[ . 1 . 2]" 1
1477 1 69 ALA H 1 74 LEU HA . . 4.710 4.432 4.241 4.604 . 0 0 "[ . 1 . 2]" 1
1478 1 69 ALA H 1 74 LEU QD . . 4.910 4.897 4.836 4.923 0.013 4 0 "[ . 1 . 2]" 1
1479 1 69 ALA H 1 75 VAL H . . 5.000 4.885 4.589 5.010 0.010 17 0 "[ . 1 . 2]" 1
1480 1 69 ALA H 1 75 VAL QG . . 4.080 3.737 3.443 4.011 . 0 0 "[ . 1 . 2]" 1
1481 1 69 ALA HA 1 70 GLU QG . . 5.080 4.420 4.229 4.763 . 0 0 "[ . 1 . 2]" 1
1482 1 69 ALA HA 1 75 VAL QG . . 5.210 4.678 4.354 4.968 . 0 0 "[ . 1 . 2]" 1
1483 1 69 ALA HA 1 89 TYR QD . . 4.130 3.752 3.315 4.135 0.005 10 0 "[ . 1 . 2]" 1
1484 1 69 ALA HA 1 89 TYR QE . . 4.000 3.704 3.210 4.008 0.008 16 0 "[ . 1 . 2]" 1
1485 1 69 ALA MB 1 70 GLU QG . . 5.140 2.848 2.681 3.119 . 0 0 "[ . 1 . 2]" 1
1486 1 69 ALA MB 1 72 GLY H . . 3.910 3.017 2.844 3.226 . 0 0 "[ . 1 . 2]" 1
1487 1 69 ALA MB 1 72 GLY HA2 . . 5.500 4.631 4.434 4.805 . 0 0 "[ . 1 . 2]" 1
1488 1 69 ALA MB 1 73 ASP H . . 4.460 3.623 3.016 4.133 . 0 0 "[ . 1 . 2]" 1
1489 1 69 ALA MB 1 73 ASP QB . . 5.340 4.034 3.327 4.838 . 0 0 "[ . 1 . 2]" 1
1490 1 69 ALA MB 1 75 VAL H . . 5.330 4.777 4.575 4.908 . 0 0 "[ . 1 . 2]" 1
1491 1 69 ALA MB 1 75 VAL QG . . 3.520 2.611 2.349 2.864 . 0 0 "[ . 1 . 2]" 1
1492 1 69 ALA MB 1 89 TYR QE . . 4.050 3.330 2.818 3.721 . 0 0 "[ . 1 . 2]" 1
1493 1 70 GLU QG 1 71 ARG H . . 5.340 2.174 1.926 2.450 . 0 0 "[ . 1 . 2]" 1
1494 1 70 GLU QG 1 71 ARG QG . . 4.380 2.423 2.011 2.880 . 0 0 "[ . 1 . 2]" 1
1495 1 70 GLU QG 1 72 GLY H . . 4.780 4.295 4.139 4.456 . 0 0 "[ . 1 . 2]" 1
1496 1 70 GLU QG 1 89 TYR QE . . 4.900 2.719 2.062 3.491 . 0 0 "[ . 1 . 2]" 1
1497 1 70 GLU HG2 1 71 ARG QG . . 5.080 3.641 2.936 4.066 . 0 0 "[ . 1 . 2]" 1
1498 1 70 GLU HG3 1 71 ARG QG . . 5.080 2.468 2.023 2.947 . 0 0 "[ . 1 . 2]" 1
1499 1 71 ARG H 1 71 ARG HB2 . . 3.670 2.363 2.196 2.688 . 0 0 "[ . 1 . 2]" 1
1500 1 71 ARG H 1 71 ARG QB . . 3.120 2.330 2.174 2.616 . 0 0 "[ . 1 . 2]" 1
1501 1 71 ARG H 1 71 ARG HB3 . . 3.670 3.564 3.476 3.626 . 0 0 "[ . 1 . 2]" 1
1502 1 71 ARG H 1 71 ARG QG . . 3.150 2.608 1.996 3.107 . 0 0 "[ . 1 . 2]" 1
1503 1 71 ARG HA 1 71 ARG HD2 . . 5.500 4.196 3.056 4.848 . 0 0 "[ . 1 . 2]" 1
1504 1 71 ARG HA 1 71 ARG QD . . 4.750 3.441 2.124 4.186 . 0 0 "[ . 1 . 2]" 1
1505 1 71 ARG HA 1 71 ARG HD3 . . 5.500 3.760 2.149 4.844 . 0 0 "[ . 1 . 2]" 1
1506 1 71 ARG HA 1 71 ARG QG . . 3.580 2.427 2.164 2.816 . 0 0 "[ . 1 . 2]" 1
1507 1 71 ARG QB 1 71 ARG QD . . 3.260 2.161 1.915 2.327 . 0 0 "[ . 1 . 2]" 1
1508 1 71 ARG QB 1 72 GLY H . . 4.170 2.908 2.876 2.955 . 0 0 "[ . 1 . 2]" 1
1509 1 71 ARG QB 1 73 ASP H . . 4.370 2.807 2.621 3.360 . 0 0 "[ . 1 . 2]" 1
1510 1 71 ARG QG 1 72 GLY H . . 5.300 4.293 3.898 4.480 . 0 0 "[ . 1 . 2]" 1
1511 1 71 ARG QG 1 73 ASP H . . 5.500 4.791 4.442 5.301 . 0 0 "[ . 1 . 2]" 1
1512 1 72 GLY H 1 72 GLY HA2 . . 2.820 2.389 2.342 2.428 . 0 0 "[ . 1 . 2]" 1
1513 1 73 ASP H 1 73 ASP QB . . 3.630 2.513 2.284 3.051 . 0 0 "[ . 1 . 2]" 1
1514 1 73 ASP H 1 74 LEU H . . 4.650 4.572 4.423 4.647 . 0 0 "[ . 1 . 2]" 1
1515 1 73 ASP HA 1 74 LEU H . . 2.720 2.459 2.306 2.587 . 0 0 "[ . 1 . 2]" 1
1516 1 73 ASP HA 1 74 LEU HB2 . . 4.910 4.509 4.365 4.796 . 0 0 "[ . 1 . 2]" 1
1517 1 73 ASP HA 1 74 LEU HG . . 5.500 4.121 3.772 4.376 . 0 0 "[ . 1 . 2]" 1
1518 1 73 ASP QB 1 74 LEU H . . 3.730 2.295 2.036 2.635 . 0 0 "[ . 1 . 2]" 1
1519 1 73 ASP QB 1 74 LEU HB2 . . 4.680 4.330 4.146 4.442 . 0 0 "[ . 1 . 2]" 1
1520 1 73 ASP QB 1 74 LEU HB3 . . 5.340 5.343 5.286 5.418 0.078 8 0 "[ . 1 . 2]" 1
1521 1 73 ASP QB 1 74 LEU HG . . 5.340 5.041 4.580 5.348 0.008 8 0 "[ . 1 . 2]" 1
1522 1 73 ASP QB 1 75 VAL H . . 5.340 5.107 4.769 5.349 0.009 16 0 "[ . 1 . 2]" 1
1523 1 73 ASP QB 1 75 VAL QG . . 4.320 3.407 3.140 3.763 . 0 0 "[ . 1 . 2]" 1
1524 1 73 ASP HB2 1 74 LEU H . . 4.260 3.257 2.095 3.882 . 0 0 "[ . 1 . 2]" 1
1525 1 73 ASP HB3 1 74 LEU H . . 4.260 2.677 2.050 3.574 . 0 0 "[ . 1 . 2]" 1
1526 1 74 LEU H 1 74 LEU HB3 . . 3.760 3.559 3.488 3.664 . 0 0 "[ . 1 . 2]" 1
1527 1 74 LEU H 1 74 LEU MD1 . . 4.030 3.972 3.881 4.024 . 0 0 "[ . 1 . 2]" 1
1528 1 74 LEU H 1 74 LEU MD2 . . 4.030 3.897 3.480 4.039 0.009 4 0 "[ . 1 . 2]" 1
1529 1 74 LEU H 1 74 LEU HG . . 4.400 3.100 2.750 3.282 . 0 0 "[ . 1 . 2]" 1
1530 1 74 LEU H 1 75 VAL H . . 4.550 4.455 4.312 4.551 0.001 8 0 "[ . 1 . 2]" 1
1531 1 74 LEU HA 1 74 LEU MD1 . . 4.460 3.816 3.803 3.828 . 0 0 "[ . 1 . 2]" 1
1532 1 74 LEU HA 1 74 LEU QD . . 3.360 2.021 1.943 2.116 . 0 0 "[ . 1 . 2]" 1
1533 1 74 LEU HA 1 74 LEU MD2 . . 4.460 2.028 1.948 2.127 . 0 0 "[ . 1 . 2]" 1
1534 1 74 LEU HA 1 74 LEU HG . . 4.170 2.939 2.818 3.190 . 0 0 "[ . 1 . 2]" 1
1535 1 74 LEU HA 1 75 VAL H . . 2.930 2.156 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
1536 1 74 LEU HA 1 75 VAL HA . . 4.980 4.400 4.393 4.408 . 0 0 "[ . 1 . 2]" 1
1537 1 74 LEU HA 1 75 VAL HB . . 5.450 4.614 4.563 4.678 . 0 0 "[ . 1 . 2]" 1
1538 1 74 LEU HA 1 75 VAL QG . . 4.560 3.612 3.385 3.797 . 0 0 "[ . 1 . 2]" 1
1539 1 74 LEU HA 1 76 ALA H . . 5.500 5.496 5.433 5.516 0.016 17 0 "[ . 1 . 2]" 1
1540 1 74 LEU HB2 1 75 VAL H . . 5.000 4.333 4.269 4.421 . 0 0 "[ . 1 . 2]" 1
1541 1 74 LEU HB3 1 74 LEU MD1 . . 3.530 2.384 2.298 2.440 . 0 0 "[ . 1 . 2]" 1
1542 1 74 LEU HB3 1 74 LEU QD . . 2.940 2.100 2.052 2.137 . 0 0 "[ . 1 . 2]" 1
1543 1 74 LEU HB3 1 74 LEU MD2 . . 3.530 2.335 2.285 2.438 . 0 0 "[ . 1 . 2]" 1
1544 1 74 LEU HB3 1 75 VAL H . . 3.770 3.335 3.185 3.546 . 0 0 "[ . 1 . 2]" 1
1545 1 74 LEU HB3 1 75 VAL HA . . 4.670 4.385 4.253 4.615 . 0 0 "[ . 1 . 2]" 1
1546 1 74 LEU HB3 1 76 ALA H . . 5.110 4.525 4.376 4.803 . 0 0 "[ . 1 . 2]" 1
1547 1 74 LEU QD 1 75 VAL H . . 3.570 3.010 2.699 3.542 . 0 0 "[ . 1 . 2]" 1
1548 1 74 LEU QD 1 98 TYR H . . 4.220 3.654 3.420 3.966 . 0 0 "[ . 1 . 2]" 1
1549 1 74 LEU QD 1 98 TYR HB2 . . 3.990 2.219 1.954 2.540 . 0 0 "[ . 1 . 2]" 1
1550 1 74 LEU QD 1 98 TYR HB3 . . 3.030 2.951 2.672 3.038 0.008 5 0 "[ . 1 . 2]" 1
1551 1 74 LEU QD 1 98 TYR QD . . 3.610 2.647 2.413 2.891 . 0 0 "[ . 1 . 2]" 1
1552 1 74 LEU QD 1 100 LYS QE . . 4.230 4.047 3.720 4.238 0.008 15 0 "[ . 1 . 2]" 1
1553 1 74 LEU MD1 1 98 TYR HB3 . . 3.800 3.354 3.107 3.547 . 0 0 "[ . 1 . 2]" 1
1554 1 74 LEU MD1 1 98 TYR QD . . 4.940 3.491 3.118 3.798 . 0 0 "[ . 1 . 2]" 1
1555 1 74 LEU MD2 1 98 TYR HB3 . . 3.800 3.282 2.879 3.423 . 0 0 "[ . 1 . 2]" 1
1556 1 74 LEU MD2 1 98 TYR QD . . 4.940 2.750 2.481 3.032 . 0 0 "[ . 1 . 2]" 1
1557 1 74 LEU HG 1 75 VAL H . . 5.500 4.939 4.743 5.230 . 0 0 "[ . 1 . 2]" 1
1558 1 75 VAL H 1 75 VAL MG1 . . 4.070 3.870 3.839 3.912 . 0 0 "[ . 1 . 2]" 1
1559 1 75 VAL H 1 75 VAL QG . . 3.030 2.741 2.624 2.875 . 0 0 "[ . 1 . 2]" 1
1560 1 75 VAL H 1 75 VAL MG2 . . 4.070 2.804 2.666 2.965 . 0 0 "[ . 1 . 2]" 1
1561 1 75 VAL H 1 76 ALA H . . 4.440 4.023 3.958 4.138 . 0 0 "[ . 1 . 2]" 1
1562 1 75 VAL H 1 76 ALA MB . . 5.500 5.237 5.166 5.349 . 0 0 "[ . 1 . 2]" 1
1563 1 75 VAL H 1 77 PHE H . . 5.500 5.404 5.332 5.507 0.007 15 0 "[ . 1 . 2]" 1
1564 1 75 VAL HA 1 75 VAL MG1 . . 3.540 2.323 2.228 2.389 . 0 0 "[ . 1 . 2]" 1
1565 1 75 VAL HA 1 75 VAL QG . . 3.090 2.070 2.049 2.111 . 0 0 "[ . 1 . 2]" 1
1566 1 75 VAL HA 1 75 VAL MG2 . . 3.540 2.329 2.276 2.448 . 0 0 "[ . 1 . 2]" 1
1567 1 75 VAL HA 1 76 ALA H . . 2.670 2.178 2.164 2.186 . 0 0 "[ . 1 . 2]" 1
1568 1 75 VAL HA 1 76 ALA HA . . 5.350 4.454 4.437 4.463 . 0 0 "[ . 1 . 2]" 1
1569 1 75 VAL HA 1 76 ALA MB . . 4.030 3.955 3.930 4.036 0.006 4 0 "[ . 1 . 2]" 1
1570 1 75 VAL HA 1 77 PHE H . . 5.500 5.495 5.361 5.517 0.017 18 0 "[ . 1 . 2]" 1
1571 1 75 VAL HB 1 76 ALA H . . 4.490 4.407 4.372 4.429 . 0 0 "[ . 1 . 2]" 1
1572 1 75 VAL HB 1 76 ALA HA . . 5.500 5.261 5.178 5.336 . 0 0 "[ . 1 . 2]" 1
1573 1 75 VAL QG 1 76 ALA H . . 3.170 3.074 2.976 3.153 . 0 0 "[ . 1 . 2]" 1
1574 1 75 VAL QG 1 77 PHE HB2 . . 5.050 4.684 4.505 4.844 . 0 0 "[ . 1 . 2]" 1
1575 1 75 VAL MG1 1 76 ALA H . . 4.290 3.162 3.045 3.254 . 0 0 "[ . 1 . 2]" 1
1576 1 75 VAL MG2 1 76 ALA H . . 4.290 4.191 4.143 4.270 . 0 0 "[ . 1 . 2]" 1
1577 1 76 ALA H 1 76 ALA MB . . 2.870 2.046 2.023 2.228 . 0 0 "[ . 1 . 2]" 1
1578 1 76 ALA H 1 77 PHE H . . 4.440 4.344 4.278 4.355 . 0 0 "[ . 1 . 2]" 1
1579 1 76 ALA HA 1 77 PHE H . . 3.230 2.169 2.164 2.194 . 0 0 "[ . 1 . 2]" 1
1580 1 76 ALA HA 1 77 PHE QD . . 4.750 3.902 3.723 3.973 . 0 0 "[ . 1 . 2]" 1
1581 1 76 ALA MB 1 77 PHE H . . 3.570 3.446 3.417 3.503 . 0 0 "[ . 1 . 2]" 1
1582 1 77 PHE H 1 77 PHE HB2 . . 4.070 3.668 3.656 3.688 . 0 0 "[ . 1 . 2]" 1
1583 1 77 PHE H 1 77 PHE QD . . 4.000 2.321 2.169 2.413 . 0 0 "[ . 1 . 2]" 1
1584 1 77 PHE H 1 77 PHE QE . . 4.160 4.092 3.960 4.160 . 0 0 "[ . 1 . 2]" 1
1585 1 77 PHE H 1 82 GLU QG . . 5.340 5.136 4.245 5.353 0.013 19 0 "[ . 1 . 2]" 1
1586 1 77 PHE HA 1 82 GLU HB2 . . 5.500 3.960 3.556 4.566 . 0 0 "[ . 1 . 2]" 1
1587 1 77 PHE HA 1 82 GLU HB3 . . 5.500 3.548 2.915 4.075 . 0 0 "[ . 1 . 2]" 1
1588 1 77 PHE HA 1 82 GLU QG . . 4.730 2.708 1.990 3.493 . 0 0 "[ . 1 . 2]" 1
1589 1 77 PHE HB2 1 79 SER H . . 4.760 3.310 3.208 3.421 . 0 0 "[ . 1 . 2]" 1
1590 1 77 PHE HB2 1 82 GLU H . . 5.030 4.817 4.679 5.015 . 0 0 "[ . 1 . 2]" 1
1591 1 77 PHE HB2 1 82 GLU HA . . 4.900 4.545 4.391 4.767 . 0 0 "[ . 1 . 2]" 1
1592 1 77 PHE HB2 1 82 GLU QG . . 5.100 2.796 2.078 3.139 . 0 0 "[ . 1 . 2]" 1
1593 1 77 PHE HB3 1 82 GLU QG . . 5.040 3.470 2.342 4.016 . 0 0 "[ . 1 . 2]" 1
1594 1 77 PHE QD 1 78 SER HA . . 4.980 3.161 3.030 3.503 . 0 0 "[ . 1 . 2]" 1
1595 1 77 PHE QD 1 79 SER H . . 4.340 2.941 2.660 3.318 . 0 0 "[ . 1 . 2]" 1
1596 1 77 PHE QD 1 83 LEU QD . . 3.750 2.103 1.908 2.306 . 0 0 "[ . 1 . 2]" 1
1597 1 77 PHE QD 1 97 ILE MG . . 4.690 3.952 3.737 4.346 . 0 0 "[ . 1 . 2]" 1
1598 1 77 PHE QE 1 83 LEU MD1 . . 4.310 2.692 2.264 3.036 . 0 0 "[ . 1 . 2]" 1
1599 1 77 PHE QE 1 83 LEU QD . . 3.300 2.288 2.002 2.682 . 0 0 "[ . 1 . 2]" 1
1600 1 77 PHE QE 1 83 LEU MD2 . . 4.310 2.510 2.082 3.027 . 0 0 "[ . 1 . 2]" 1
1601 1 77 PHE QE 1 95 PHE HZ . . 4.780 4.094 3.672 4.785 0.005 7 0 "[ . 1 . 2]" 1
1602 1 77 PHE QE 1 97 ILE HB . . 4.720 2.795 2.461 3.115 . 0 0 "[ . 1 . 2]" 1
1603 1 77 PHE QE 1 97 ILE MD . . 4.530 3.117 2.765 3.716 . 0 0 "[ . 1 . 2]" 1
1604 1 77 PHE QE 1 97 ILE MG . . 3.770 2.411 2.146 2.883 . 0 0 "[ . 1 . 2]" 1
1605 1 77 PHE QE 1 98 TYR H . . 4.670 4.273 3.844 4.647 . 0 0 "[ . 1 . 2]" 1
1606 1 77 PHE HZ 1 97 ILE HB . . 4.780 3.909 3.263 4.471 . 0 0 "[ . 1 . 2]" 1
1607 1 77 PHE HZ 1 97 ILE MD . . 3.850 2.527 1.991 2.896 . 0 0 "[ . 1 . 2]" 1
1608 1 77 PHE HZ 1 97 ILE MG . . 4.200 2.945 2.398 3.374 . 0 0 "[ . 1 . 2]" 1
1609 1 78 SER HA 1 79 SER H . . 3.470 2.848 2.680 2.968 . 0 0 "[ . 1 . 2]" 1
1610 1 78 SER QB 1 79 SER H . . 4.130 4.026 3.872 4.063 . 0 0 "[ . 1 . 2]" 1
1611 1 79 SER H 1 79 SER QB . . 3.210 2.870 2.742 3.073 . 0 0 "[ . 1 . 2]" 1
1612 1 79 SER H 1 80 ASP H . . 4.810 4.300 4.251 4.357 . 0 0 "[ . 1 . 2]" 1
1613 1 79 SER H 1 82 GLU H . . 4.080 3.793 3.629 3.892 . 0 0 "[ . 1 . 2]" 1
1614 1 79 SER H 1 82 GLU QB . . 3.840 2.512 2.316 2.721 . 0 0 "[ . 1 . 2]" 1
1615 1 79 SER H 1 83 LEU H . . 4.660 4.355 4.221 4.457 . 0 0 "[ . 1 . 2]" 1
1616 1 79 SER H 1 83 LEU QD . . 3.250 2.896 2.742 3.021 . 0 0 "[ . 1 . 2]" 1
1617 1 79 SER HA 1 82 GLU H . . 4.660 4.498 4.415 4.562 . 0 0 "[ . 1 . 2]" 1
1618 1 79 SER HA 1 83 LEU H . . 5.500 5.511 5.459 5.536 0.036 12 0 "[ . 1 . 2]" 1
1619 1 79 SER QB 1 82 GLU H . . 4.080 2.781 2.602 2.938 . 0 0 "[ . 1 . 2]" 1
1620 1 79 SER HB2 1 80 ASP H . . 4.520 3.970 3.640 4.184 . 0 0 "[ . 1 . 2]" 1
1621 1 79 SER HB2 1 82 GLU H . . 4.770 3.563 2.635 4.567 . 0 0 "[ . 1 . 2]" 1
1622 1 79 SER HB3 1 80 ASP H . . 4.520 3.252 2.699 3.964 . 0 0 "[ . 1 . 2]" 1
1623 1 79 SER HB3 1 82 GLU H . . 4.770 3.293 2.682 4.115 . 0 0 "[ . 1 . 2]" 1
1624 1 80 ASP HA 1 83 LEU H . . 3.600 3.193 3.097 3.320 . 0 0 "[ . 1 . 2]" 1
1625 1 80 ASP HA 1 83 LEU HB2 . . 4.170 2.594 2.375 2.783 . 0 0 "[ . 1 . 2]" 1
1626 1 80 ASP HA 1 83 LEU HB3 . . 4.400 4.236 4.003 4.428 0.028 13 0 "[ . 1 . 2]" 1
1627 1 80 ASP HA 1 83 LEU QD . . 4.130 2.435 2.202 2.578 . 0 0 "[ . 1 . 2]" 1
1628 1 80 ASP HA 1 83 LEU HG . . 4.670 3.719 3.517 3.932 . 0 0 "[ . 1 . 2]" 1
1629 1 80 ASP HA 1 84 THR H . . 4.250 4.101 3.969 4.264 0.014 13 0 "[ . 1 . 2]" 1
1630 1 80 ASP QB 1 81 GLU H . . 3.640 3.179 2.487 3.431 . 0 0 "[ . 1 . 2]" 1
1631 1 80 ASP QB 1 83 LEU QD . . 4.900 4.019 3.810 4.221 . 0 0 "[ . 1 . 2]" 1
1632 1 80 ASP QB 1 84 THR H . . 5.340 4.652 4.402 5.151 . 0 0 "[ . 1 . 2]" 1
1633 1 80 ASP QB 1 84 THR HB . . 5.340 4.785 4.458 5.348 0.008 17 0 "[ . 1 . 2]" 1
1634 1 80 ASP HB2 1 81 GLU H . . 4.180 3.633 2.576 3.999 . 0 0 "[ . 1 . 2]" 1
1635 1 80 ASP HB3 1 81 GLU H . . 4.180 3.707 2.516 3.990 . 0 0 "[ . 1 . 2]" 1
1636 1 81 GLU H 1 81 GLU HB2 . . 4.040 3.585 3.567 3.594 . 0 0 "[ . 1 . 2]" 1
1637 1 81 GLU H 1 81 GLU HB3 . . 3.020 2.495 2.354 2.646 . 0 0 "[ . 1 . 2]" 1
1638 1 81 GLU H 1 81 GLU QG . . 3.220 2.264 2.052 2.567 . 0 0 "[ . 1 . 2]" 1
1639 1 81 GLU H 1 82 GLU H . . 3.710 2.664 2.579 2.731 . 0 0 "[ . 1 . 2]" 1
1640 1 81 GLU H 1 83 LEU H . . 4.240 4.153 4.072 4.245 0.005 9 0 "[ . 1 . 2]" 1
1641 1 81 GLU H 1 84 THR H . . 5.210 5.062 4.987 5.127 . 0 0 "[ . 1 . 2]" 1
1642 1 81 GLU HA 1 82 GLU HA . . 4.910 4.703 4.698 4.706 . 0 0 "[ . 1 . 2]" 1
1643 1 81 GLU HA 1 83 LEU H . . 4.460 4.271 4.194 4.377 . 0 0 "[ . 1 . 2]" 1
1644 1 81 GLU HA 1 84 THR H . . 4.030 3.800 3.745 3.845 . 0 0 "[ . 1 . 2]" 1
1645 1 81 GLU HA 1 84 THR HB . . 3.790 3.813 3.789 3.852 0.062 13 0 "[ . 1 . 2]" 1
1646 1 81 GLU HA 1 84 THR MG . . 2.640 2.380 2.159 2.579 . 0 0 "[ . 1 . 2]" 1
1647 1 81 GLU HA 1 85 MET H . . 4.980 4.625 4.450 4.841 . 0 0 "[ . 1 . 2]" 1
1648 1 81 GLU HB2 1 82 GLU H . . 4.320 3.985 3.773 4.119 . 0 0 "[ . 1 . 2]" 1
1649 1 81 GLU HB3 1 82 GLU H . . 4.100 4.048 3.924 4.126 0.026 10 0 "[ . 1 . 2]" 1
1650 1 81 GLU QG 1 82 GLU H . . 4.380 2.299 2.004 2.481 . 0 0 "[ . 1 . 2]" 1
1651 1 81 GLU QG 1 82 GLU HA . . 4.460 3.504 3.215 4.209 . 0 0 "[ . 1 . 2]" 1
1652 1 81 GLU HG2 1 82 GLU H . . 5.010 2.862 2.014 3.991 . 0 0 "[ . 1 . 2]" 1
1653 1 81 GLU HG3 1 82 GLU H . . 5.010 2.754 2.120 3.803 . 0 0 "[ . 1 . 2]" 1
1654 1 82 GLU H 1 82 GLU HG2 . . 5.130 3.383 2.369 4.636 . 0 0 "[ . 1 . 2]" 1
1655 1 82 GLU H 1 82 GLU QG . . 4.320 3.070 2.346 4.088 . 0 0 "[ . 1 . 2]" 1
1656 1 82 GLU H 1 82 GLU HG3 . . 5.130 3.963 3.495 4.588 . 0 0 "[ . 1 . 2]" 1
1657 1 82 GLU H 1 83 LEU H . . 3.860 2.394 2.381 2.411 . 0 0 "[ . 1 . 2]" 1
1658 1 82 GLU H 1 83 LEU HB2 . . 4.670 4.338 4.310 4.365 . 0 0 "[ . 1 . 2]" 1
1659 1 82 GLU H 1 83 LEU QD . . 3.430 3.430 3.376 3.455 0.025 13 0 "[ . 1 . 2]" 1
1660 1 82 GLU H 1 84 THR H . . 4.320 4.267 4.217 4.319 . 0 0 "[ . 1 . 2]" 1
1661 1 82 GLU H 1 85 MET H . . 5.300 4.921 4.800 5.011 . 0 0 "[ . 1 . 2]" 1
1662 1 82 GLU HA 1 82 GLU QG . . 3.400 2.668 2.121 2.990 . 0 0 "[ . 1 . 2]" 1
1663 1 82 GLU HA 1 85 MET H . . 4.270 3.688 3.584 3.769 . 0 0 "[ . 1 . 2]" 1
1664 1 82 GLU HA 1 85 MET HB2 . . 3.980 3.375 3.244 3.496 . 0 0 "[ . 1 . 2]" 1
1665 1 82 GLU HA 1 85 MET HB3 . . 3.820 3.464 3.292 3.521 . 0 0 "[ . 1 . 2]" 1
1666 1 82 GLU HA 1 86 ALA H . . 4.580 4.244 3.957 4.509 . 0 0 "[ . 1 . 2]" 1
1667 1 82 GLU HB2 1 83 LEU H . . 5.460 3.066 2.735 3.752 . 0 0 "[ . 1 . 2]" 1
1668 1 82 GLU HB3 1 83 LEU H . . 5.460 3.515 2.879 3.807 . 0 0 "[ . 1 . 2]" 1
1669 1 82 GLU QG 1 83 LEU H . . 5.200 4.324 4.083 4.684 . 0 0 "[ . 1 . 2]" 1
1670 1 83 LEU H 1 83 LEU HB2 . . 3.040 2.220 2.199 2.246 . 0 0 "[ . 1 . 2]" 1
1671 1 83 LEU H 1 83 LEU MD1 . . 4.050 3.742 3.644 3.812 . 0 0 "[ . 1 . 2]" 1
1672 1 83 LEU H 1 83 LEU QD . . 3.450 2.186 2.118 2.247 . 0 0 "[ . 1 . 2]" 1
1673 1 83 LEU H 1 83 LEU MD2 . . 4.050 2.201 2.131 2.264 . 0 0 "[ . 1 . 2]" 1
1674 1 83 LEU H 1 83 LEU HG . . 5.000 4.015 3.984 4.055 . 0 0 "[ . 1 . 2]" 1
1675 1 83 LEU H 1 84 THR H . . 3.930 2.663 2.605 2.721 . 0 0 "[ . 1 . 2]" 1
1676 1 83 LEU H 1 84 THR MG . . 4.340 3.997 3.898 4.087 . 0 0 "[ . 1 . 2]" 1
1677 1 83 LEU H 1 85 MET H . . 4.010 3.890 3.847 3.925 . 0 0 "[ . 1 . 2]" 1
1678 1 83 LEU HA 1 83 LEU MD1 . . 3.970 2.027 1.942 2.108 . 0 0 "[ . 1 . 2]" 1
1679 1 83 LEU HA 1 83 LEU QD . . 3.130 1.960 1.899 2.022 . 0 0 "[ . 1 . 2]" 1
1680 1 83 LEU HA 1 83 LEU MD2 . . 3.970 2.613 2.555 2.690 . 0 0 "[ . 1 . 2]" 1
1681 1 83 LEU HA 1 83 LEU HG . . 3.770 3.684 3.674 3.691 . 0 0 "[ . 1 . 2]" 1
1682 1 83 LEU HA 1 85 MET H . . 4.700 3.973 3.929 4.070 . 0 0 "[ . 1 . 2]" 1
1683 1 83 LEU HA 1 86 ALA H . . 3.440 3.210 3.129 3.340 . 0 0 "[ . 1 . 2]" 1
1684 1 83 LEU HA 1 86 ALA MB . . 3.560 2.526 2.320 2.616 . 0 0 "[ . 1 . 2]" 1
1685 1 83 LEU HB2 1 83 LEU MD1 . . 3.520 3.191 3.186 3.194 . 0 0 "[ . 1 . 2]" 1
1686 1 83 LEU HB2 1 83 LEU QD . . 3.070 2.279 2.257 2.296 . 0 0 "[ . 1 . 2]" 1
1687 1 83 LEU HB2 1 83 LEU MD2 . . 3.520 2.334 2.308 2.354 . 0 0 "[ . 1 . 2]" 1
1688 1 83 LEU HB2 1 84 THR H . . 3.190 2.524 2.491 2.562 . 0 0 "[ . 1 . 2]" 1
1689 1 83 LEU HB2 1 84 THR HA . . 4.620 4.534 4.498 4.567 . 0 0 "[ . 1 . 2]" 1
1690 1 83 LEU HB2 1 85 MET H . . 5.060 4.803 4.779 4.819 . 0 0 "[ . 1 . 2]" 1
1691 1 83 LEU HB3 1 83 LEU QD . . 3.080 2.272 2.241 2.310 . 0 0 "[ . 1 . 2]" 1
1692 1 83 LEU HB3 1 84 THR H . . 4.130 3.126 3.099 3.162 . 0 0 "[ . 1 . 2]" 1
1693 1 83 LEU HB3 1 84 THR HB . . 5.290 4.836 4.766 4.876 . 0 0 "[ . 1 . 2]" 1
1694 1 83 LEU QD 1 84 THR H . . 3.890 3.790 3.757 3.816 . 0 0 "[ . 1 . 2]" 1
1695 1 83 LEU QD 1 84 THR HA . . 5.420 4.992 4.965 5.029 . 0 0 "[ . 1 . 2]" 1
1696 1 83 LEU QD 1 86 ALA H . . 4.610 4.263 4.213 4.338 . 0 0 "[ . 1 . 2]" 1
1697 1 83 LEU QD 1 86 ALA HA . . 5.440 5.399 5.358 5.465 0.025 13 0 "[ . 1 . 2]" 1
1698 1 83 LEU QD 1 86 ALA MB . . 3.110 2.947 2.910 3.015 . 0 0 "[ . 1 . 2]" 1
1699 1 83 LEU QD 1 87 MET H . . 5.180 4.493 4.277 4.812 . 0 0 "[ . 1 . 2]" 1
1700 1 83 LEU QD 1 95 PHE QE . . 3.710 2.679 2.146 2.931 . 0 0 "[ . 1 . 2]" 1
1701 1 83 LEU QD 1 95 PHE HZ . . 3.120 3.007 2.678 3.124 0.004 9 0 "[ . 1 . 2]" 1
1702 1 83 LEU MD1 1 84 THR H . . 4.690 4.570 4.563 4.578 . 0 0 "[ . 1 . 2]" 1
1703 1 83 LEU MD2 1 84 THR H . . 4.690 4.047 3.995 4.089 . 0 0 "[ . 1 . 2]" 1
1704 1 83 LEU HG 1 84 THR H . . 5.310 4.894 4.872 4.939 . 0 0 "[ . 1 . 2]" 1
1705 1 84 THR H 1 84 THR HA . . 2.890 2.762 2.757 2.791 . 0 0 "[ . 1 . 2]" 1
1706 1 84 THR H 1 84 THR HB . . 3.600 2.363 2.342 2.388 . 0 0 "[ . 1 . 2]" 1
1707 1 84 THR H 1 84 THR MG . . 3.300 2.482 2.435 2.525 . 0 0 "[ . 1 . 2]" 1
1708 1 84 THR H 1 85 MET H . . 3.100 2.760 2.686 2.774 . 0 0 "[ . 1 . 2]" 1
1709 1 84 THR H 1 85 MET HB3 . . 5.500 5.506 5.475 5.514 0.014 20 0 "[ . 1 . 2]" 1
1710 1 84 THR H 1 86 ALA H . . 4.330 4.300 4.143 4.352 0.022 14 0 "[ . 1 . 2]" 1
1711 1 84 THR HA 1 84 THR MG . . 3.360 3.190 3.188 3.193 . 0 0 "[ . 1 . 2]" 1
1712 1 84 THR HA 1 87 MET H . . 4.520 3.918 3.739 4.025 . 0 0 "[ . 1 . 2]" 1
1713 1 84 THR HA 1 87 MET QB . . 4.240 3.418 3.066 4.254 0.014 13 0 "[ . 1 . 2]" 1
1714 1 84 THR HA 1 87 MET QG . . 4.800 3.350 2.369 3.830 . 0 0 "[ . 1 . 2]" 1
1715 1 84 THR HB 1 85 MET H . . 4.060 3.927 3.911 3.939 . 0 0 "[ . 1 . 2]" 1
1716 1 84 THR HB 1 85 MET HB2 . . 5.500 5.567 5.540 5.584 0.084 20 0 "[ . 1 . 2]" 1
1717 1 84 THR MG 1 85 MET H . . 3.250 2.019 1.987 2.046 . 0 0 "[ . 1 . 2]" 1
1718 1 84 THR MG 1 85 MET HA . . 3.700 3.280 3.256 3.319 . 0 0 "[ . 1 . 2]" 1
1719 1 84 THR MG 1 85 MET HB3 . . 5.190 4.069 4.038 4.095 . 0 0 "[ . 1 . 2]" 1
1720 1 84 THR MG 1 85 MET QG . . 5.420 4.043 3.740 4.329 . 0 0 "[ . 1 . 2]" 1
1721 1 84 THR MG 1 86 ALA H . . 4.250 4.192 4.126 4.227 . 0 0 "[ . 1 . 2]" 1
1722 1 85 MET H 1 85 MET HA . . 2.920 2.890 2.889 2.891 . 0 0 "[ . 1 . 2]" 1
1723 1 85 MET H 1 85 MET HB2 . . 3.510 2.313 2.285 2.321 . 0 0 "[ . 1 . 2]" 1
1724 1 85 MET H 1 85 MET HB3 . . 3.450 2.881 2.872 2.922 . 0 0 "[ . 1 . 2]" 1
1725 1 85 MET H 1 85 MET ME . . 4.470 4.110 3.521 4.467 . 0 0 "[ . 1 . 2]" 1
1726 1 85 MET H 1 86 ALA H . . 4.030 2.406 2.353 2.436 . 0 0 "[ . 1 . 2]" 1
1727 1 85 MET H 1 86 ALA HA . . 5.060 5.045 5.000 5.065 0.005 14 0 "[ . 1 . 2]" 1
1728 1 85 MET H 1 86 ALA MB . . 4.080 4.040 3.948 4.079 . 0 0 "[ . 1 . 2]" 1
1729 1 85 MET H 1 87 MET H . . 4.640 4.048 3.789 4.170 . 0 0 "[ . 1 . 2]" 1
1730 1 85 MET HA 1 85 MET HB2 . . 2.740 2.671 2.666 2.693 . 0 0 "[ . 1 . 2]" 1
1731 1 85 MET HA 1 85 MET ME . . 4.190 3.844 2.111 4.194 0.004 10 0 "[ . 1 . 2]" 1
1732 1 85 MET HA 1 85 MET QG . . 2.850 2.276 2.094 2.575 . 0 0 "[ . 1 . 2]" 1
1733 1 85 MET HA 1 87 MET H . . 4.610 4.372 4.014 4.611 0.001 11 0 "[ . 1 . 2]" 1
1734 1 85 MET HA 1 88 SER H . . 4.210 3.391 3.184 3.562 . 0 0 "[ . 1 . 2]" 1
1735 1 85 MET HA 1 88 SER HB2 . . 4.690 2.756 2.235 3.344 . 0 0 "[ . 1 . 2]" 1
1736 1 85 MET HA 1 88 SER QB . . 3.980 2.652 2.188 3.127 . 0 0 "[ . 1 . 2]" 1
1737 1 85 MET HA 1 88 SER HB3 . . 4.690 3.484 3.115 4.144 . 0 0 "[ . 1 . 2]" 1
1738 1 85 MET HB2 1 85 MET ME . . 2.700 2.358 1.986 2.689 . 0 0 "[ . 1 . 2]" 1
1739 1 85 MET HB2 1 86 ALA H . . 3.770 3.542 3.480 3.674 . 0 0 "[ . 1 . 2]" 1
1740 1 85 MET HB2 1 86 ALA HA . . 5.500 5.427 5.384 5.461 . 0 0 "[ . 1 . 2]" 1
1741 1 85 MET HB3 1 86 ALA H . . 3.830 2.665 2.552 2.915 . 0 0 "[ . 1 . 2]" 1
1742 1 85 MET HB3 1 86 ALA HA . . 4.680 3.901 3.857 3.978 . 0 0 "[ . 1 . 2]" 1
1743 1 85 MET HB3 1 86 ALA MB . . 5.140 3.956 3.872 4.042 . 0 0 "[ . 1 . 2]" 1
1744 1 85 MET HB3 1 89 TYR QE . . 4.600 3.230 2.924 3.451 . 0 0 "[ . 1 . 2]" 1
1745 1 85 MET ME 1 85 MET QG . . 3.400 2.308 2.119 2.573 . 0 0 "[ . 1 . 2]" 1
1746 1 85 MET ME 1 89 TYR QE . . 5.100 4.853 4.264 5.110 0.010 14 0 "[ . 1 . 2]" 1
1747 1 85 MET QG 1 86 ALA HA . . 5.350 4.549 4.479 4.671 . 0 0 "[ . 1 . 2]" 1
1748 1 85 MET QG 1 88 SER H . . 4.870 4.622 4.369 4.763 . 0 0 "[ . 1 . 2]" 1
1749 1 85 MET QG 1 88 SER QB . . 4.930 3.271 3.074 3.601 . 0 0 "[ . 1 . 2]" 1
1750 1 85 MET QG 1 89 TYR QE . . 4.760 2.565 2.212 2.924 . 0 0 "[ . 1 . 2]" 1
1751 1 86 ALA H 1 86 ALA MB . . 3.240 2.135 2.032 2.235 . 0 0 "[ . 1 . 2]" 1
1752 1 86 ALA H 1 87 MET H . . 3.200 2.764 2.604 2.845 . 0 0 "[ . 1 . 2]" 1
1753 1 86 ALA H 1 87 MET QG . . 4.820 4.351 4.055 4.753 . 0 0 "[ . 1 . 2]" 1
1754 1 86 ALA H 1 89 TYR QD . . 4.660 4.282 4.140 4.441 . 0 0 "[ . 1 . 2]" 1
1755 1 86 ALA H 1 89 TYR QE . . 4.610 4.279 3.932 4.549 . 0 0 "[ . 1 . 2]" 1
1756 1 86 ALA HA 1 88 SER H . . 4.210 3.919 3.812 4.054 . 0 0 "[ . 1 . 2]" 1
1757 1 86 ALA HA 1 89 TYR H . . 4.260 3.696 3.531 3.993 . 0 0 "[ . 1 . 2]" 1
1758 1 86 ALA HA 1 89 TYR HB2 . . 4.270 3.777 3.546 4.225 . 0 0 "[ . 1 . 2]" 1
1759 1 86 ALA HA 1 89 TYR QD . . 3.420 2.109 1.999 2.423 . 0 0 "[ . 1 . 2]" 1
1760 1 86 ALA HA 1 89 TYR QE . . 3.930 3.037 2.741 3.286 . 0 0 "[ . 1 . 2]" 1
1761 1 86 ALA MB 1 87 MET H . . 4.390 2.541 2.388 2.880 . 0 0 "[ . 1 . 2]" 1
1762 1 86 ALA MB 1 87 MET HA . . 4.950 3.755 3.691 3.871 . 0 0 "[ . 1 . 2]" 1
1763 1 86 ALA MB 1 88 SER H . . 5.410 4.249 4.175 4.424 . 0 0 "[ . 1 . 2]" 1
1764 1 86 ALA MB 1 89 TYR H . . 5.370 4.572 4.433 4.776 . 0 0 "[ . 1 . 2]" 1
1765 1 86 ALA MB 1 89 TYR QD . . 4.410 3.728 3.634 3.927 . 0 0 "[ . 1 . 2]" 1
1766 1 86 ALA MB 1 95 PHE QD . . 4.800 4.050 3.681 4.371 . 0 0 "[ . 1 . 2]" 1
1767 1 86 ALA MB 1 95 PHE QE . . 4.000 2.306 2.006 2.676 . 0 0 "[ . 1 . 2]" 1
1768 1 86 ALA MB 1 95 PHE HZ . . 2.660 2.436 1.952 2.663 0.003 6 0 "[ . 1 . 2]" 1
1769 1 87 MET H 1 87 MET QB . . 3.440 2.443 2.260 2.601 . 0 0 "[ . 1 . 2]" 1
1770 1 87 MET H 1 87 MET ME . . 4.760 4.559 3.678 4.769 0.009 11 0 "[ . 1 . 2]" 1
1771 1 87 MET H 1 87 MET QG . . 4.320 2.276 2.050 2.624 . 0 0 "[ . 1 . 2]" 1
1772 1 87 MET H 1 88 SER H . . 4.650 2.585 2.444 2.673 . 0 0 "[ . 1 . 2]" 1
1773 1 87 MET H 1 89 TYR H . . 5.050 4.219 4.125 4.265 . 0 0 "[ . 1 . 2]" 1
1774 1 87 MET H 1 90 VAL QG . . 5.090 4.300 3.985 4.795 . 0 0 "[ . 1 . 2]" 1
1775 1 87 MET H 1 95 PHE QE . . 4.850 4.573 3.860 4.857 0.007 3 0 "[ . 1 . 2]" 1
1776 1 87 MET HA 1 87 MET ME . . 4.200 3.979 3.461 4.199 . 0 0 "[ . 1 . 2]" 1
1777 1 87 MET HA 1 90 VAL H . . 3.480 3.244 3.034 3.474 . 0 0 "[ . 1 . 2]" 1
1778 1 87 MET HA 1 90 VAL HB . . 4.520 3.539 2.732 4.456 . 0 0 "[ . 1 . 2]" 1
1779 1 87 MET HA 1 90 VAL QG . . 3.140 2.137 1.900 2.578 . 0 0 "[ . 1 . 2]" 1
1780 1 87 MET QB 1 90 VAL QG . . 5.280 3.492 2.799 3.968 . 0 0 "[ . 1 . 2]" 1
1781 1 87 MET ME 1 95 PHE HB2 . . 4.160 3.093 2.397 3.864 . 0 0 "[ . 1 . 2]" 1
1782 1 87 MET ME 1 95 PHE HB3 . . 4.500 3.864 3.002 4.507 0.007 14 0 "[ . 1 . 2]" 1
1783 1 87 MET ME 1 95 PHE QD . . 4.170 3.491 2.775 4.058 . 0 0 "[ . 1 . 2]" 1
1784 1 87 MET ME 1 95 PHE QE . . 4.590 4.219 3.586 4.597 0.007 14 0 "[ . 1 . 2]" 1
1785 1 88 SER H 1 88 SER HB2 . . 3.680 2.369 2.240 2.720 . 0 0 "[ . 1 . 2]" 1
1786 1 88 SER H 1 88 SER HB3 . . 3.680 2.860 2.607 3.583 . 0 0 "[ . 1 . 2]" 1
1787 1 88 SER H 1 89 TYR H . . 4.130 2.566 2.511 2.649 . 0 0 "[ . 1 . 2]" 1
1788 1 88 SER H 1 89 TYR HB2 . . 4.820 4.795 4.649 4.837 0.017 14 0 "[ . 1 . 2]" 1
1789 1 88 SER H 1 89 TYR QD . . 3.440 3.438 3.349 3.461 0.021 14 0 "[ . 1 . 2]" 1
1790 1 88 SER H 1 90 VAL H . . 4.530 4.217 3.921 4.533 0.003 1 0 "[ . 1 . 2]" 1
1791 1 88 SER HA 1 88 SER QB . . 2.540 2.433 2.291 2.482 . 0 0 "[ . 1 . 2]" 1
1792 1 88 SER HA 1 89 TYR H . . 3.550 3.448 3.425 3.464 . 0 0 "[ . 1 . 2]" 1
1793 1 88 SER HA 1 89 TYR HA . . 4.880 4.687 4.639 4.732 . 0 0 "[ . 1 . 2]" 1
1794 1 88 SER QB 1 89 TYR H . . 4.200 2.953 2.893 3.031 . 0 0 "[ . 1 . 2]" 1
1795 1 88 SER QB 1 89 TYR HA . . 4.440 4.064 3.941 4.192 . 0 0 "[ . 1 . 2]" 1
1796 1 88 SER QB 1 89 TYR QD . . 4.730 3.378 3.226 3.530 . 0 0 "[ . 1 . 2]" 1
1797 1 88 SER QB 1 89 TYR QE . . 5.180 3.759 3.527 4.014 . 0 0 "[ . 1 . 2]" 1
1798 1 89 TYR H 1 89 TYR HB2 . . 3.520 2.451 2.373 2.511 . 0 0 "[ . 1 . 2]" 1
1799 1 89 TYR H 1 90 VAL QG . . 3.600 3.545 3.281 3.618 0.018 13 0 "[ . 1 . 2]" 1
1800 1 89 TYR HA 1 89 TYR QD . . 3.390 3.030 2.998 3.071 . 0 0 "[ . 1 . 2]" 1
1801 1 89 TYR HA 1 89 TYR QE . . 5.020 4.687 4.638 4.732 . 0 0 "[ . 1 . 2]" 1
1802 1 89 TYR HB2 1 90 VAL H . . 3.660 2.775 2.342 3.322 . 0 0 "[ . 1 . 2]" 1
1803 1 89 TYR HB3 1 90 VAL H . . 4.270 3.739 3.315 4.144 . 0 0 "[ . 1 . 2]" 1
1804 1 90 VAL H 1 90 VAL HB . . 2.900 2.601 2.514 2.676 . 0 0 "[ . 1 . 2]" 1
1805 1 90 VAL H 1 90 VAL MG1 . . 3.870 2.974 1.919 3.818 . 0 0 "[ . 1 . 2]" 1
1806 1 90 VAL H 1 90 VAL QG . . 3.020 2.126 1.913 2.427 . 0 0 "[ . 1 . 2]" 1
1807 1 90 VAL H 1 90 VAL MG2 . . 3.870 2.943 1.946 3.777 . 0 0 "[ . 1 . 2]" 1
1808 1 90 VAL HA 1 90 VAL MG1 . . 3.320 2.733 2.270 3.202 . 0 0 "[ . 1 . 2]" 1
1809 1 90 VAL HA 1 90 VAL MG2 . . 3.320 2.367 2.290 2.473 . 0 0 "[ . 1 . 2]" 1
1810 1 90 VAL HA 1 92 ASP H . . 5.500 3.540 3.216 3.995 . 0 0 "[ . 1 . 2]" 1
1811 1 90 VAL QG 1 92 ASP H . . 4.420 2.169 1.914 2.499 . 0 0 "[ . 1 . 2]" 1
1812 1 90 VAL QG 1 92 ASP QB . . 3.940 2.878 2.430 3.203 . 0 0 "[ . 1 . 2]" 1
1813 1 90 VAL QG 1 93 ASP H . . 4.160 4.164 4.040 4.195 0.035 7 0 "[ . 1 . 2]" 1
1814 1 90 VAL QG 1 93 ASP HA . . 3.790 3.690 3.263 3.825 0.035 13 0 "[ . 1 . 2]" 1
1815 1 90 VAL QG 1 93 ASP QB . . 5.280 4.868 4.657 4.999 . 0 0 "[ . 1 . 2]" 1
1816 1 90 VAL QG 1 94 ILE H . . 4.210 2.753 2.389 3.189 . 0 0 "[ . 1 . 2]" 1
1817 1 90 VAL QG 1 94 ILE HB . . 4.320 3.732 3.299 4.173 . 0 0 "[ . 1 . 2]" 1
1818 1 90 VAL QG 1 95 PHE H . . 4.630 4.001 3.725 4.386 . 0 0 "[ . 1 . 2]" 1
1819 1 90 VAL QG 1 95 PHE HA . . 3.290 2.534 2.144 3.046 . 0 0 "[ . 1 . 2]" 1
1820 1 90 VAL QG 1 95 PHE HB2 . . 3.700 3.184 2.726 3.687 . 0 0 "[ . 1 . 2]" 1
1821 1 90 VAL QG 1 95 PHE HB3 . . 4.690 4.317 3.875 4.697 0.007 20 0 "[ . 1 . 2]" 1
1822 1 90 VAL QG 1 95 PHE QD . . 3.660 2.253 1.880 2.958 . 0 0 "[ . 1 . 2]" 1
1823 1 90 VAL QG 1 96 ARG H . . 4.510 3.471 2.867 4.113 . 0 0 "[ . 1 . 2]" 1
1824 1 90 VAL MG1 1 92 ASP H . . 5.040 3.113 1.916 4.267 . 0 0 "[ . 1 . 2]" 1
1825 1 90 VAL MG1 1 95 PHE H . . 5.310 4.457 3.864 5.296 . 0 0 "[ . 1 . 2]" 1
1826 1 90 VAL MG1 1 95 PHE HA . . 3.770 2.983 2.330 3.683 . 0 0 "[ . 1 . 2]" 1
1827 1 90 VAL MG2 1 92 ASP H . . 5.040 3.450 1.917 4.743 . 0 0 "[ . 1 . 2]" 1
1828 1 90 VAL MG2 1 95 PHE H . . 5.310 4.692 4.105 5.037 . 0 0 "[ . 1 . 2]" 1
1829 1 90 VAL MG2 1 95 PHE HA . . 3.770 2.853 2.222 3.616 . 0 0 "[ . 1 . 2]" 1
1830 1 91 LYS HA 1 91 LYS QD . . 4.110 3.102 2.040 4.184 0.074 12 0 "[ . 1 . 2]" 1
1831 1 91 LYS HA 1 91 LYS HG2 . . 3.880 2.919 2.254 3.926 0.046 12 0 "[ . 1 . 2]" 1
1832 1 91 LYS HA 1 91 LYS QG . . 3.260 2.503 2.180 3.334 0.074 12 0 "[ . 1 . 2]" 1
1833 1 91 LYS HA 1 91 LYS HG3 . . 3.880 3.092 2.201 3.806 . 0 0 "[ . 1 . 2]" 1
1834 1 91 LYS QB 1 91 LYS QD . . 3.160 2.216 1.949 2.578 . 0 0 "[ . 1 . 2]" 1
1835 1 91 LYS QE 1 91 LYS HG2 . . 3.780 2.686 2.100 3.495 . 0 0 "[ . 1 . 2]" 1
1836 1 91 LYS QE 1 91 LYS HG3 . . 3.780 2.687 2.130 3.501 . 0 0 "[ . 1 . 2]" 1
1837 1 92 ASP H 1 93 ASP H . . 4.620 4.417 4.330 4.475 . 0 0 "[ . 1 . 2]" 1
1838 1 92 ASP HA 1 93 ASP H . . 3.250 2.715 2.666 2.728 . 0 0 "[ . 1 . 2]" 1
1839 1 92 ASP HA 1 94 ILE H . . 4.330 4.275 4.205 4.350 0.020 13 0 "[ . 1 . 2]" 1
1840 1 92 ASP QB 1 93 ASP H . . 2.540 1.979 1.918 2.078 . 0 0 "[ . 1 . 2]" 1
1841 1 92 ASP QB 1 93 ASP HA . . 5.300 4.165 4.152 4.188 . 0 0 "[ . 1 . 2]" 1
1842 1 92 ASP QB 1 94 ILE H . . 2.990 2.415 2.289 2.605 . 0 0 "[ . 1 . 2]" 1
1843 1 92 ASP QB 1 94 ILE MD . . 4.060 3.735 3.502 4.031 . 0 0 "[ . 1 . 2]" 1
1844 1 92 ASP HB2 1 93 ASP H . . 3.000 2.810 2.660 2.930 . 0 0 "[ . 1 . 2]" 1
1845 1 92 ASP HB2 1 94 ILE MD . . 4.740 4.221 3.860 4.726 . 0 0 "[ . 1 . 2]" 1
1846 1 92 ASP HB3 1 93 ASP H . . 3.000 2.024 1.945 2.153 . 0 0 "[ . 1 . 2]" 1
1847 1 92 ASP HB3 1 94 ILE MD . . 4.740 4.174 3.898 4.371 . 0 0 "[ . 1 . 2]" 1
1848 1 93 ASP H 1 94 ILE H . . 4.070 2.632 2.263 2.849 . 0 0 "[ . 1 . 2]" 1
1849 1 93 ASP H 1 94 ILE MD . . 4.710 4.443 4.322 4.615 . 0 0 "[ . 1 . 2]" 1
1850 1 93 ASP H 1 94 ILE HG12 . . 5.500 4.780 4.519 5.081 . 0 0 "[ . 1 . 2]" 1
1851 1 93 ASP H 1 94 ILE HG13 . . 4.360 3.237 3.067 3.466 . 0 0 "[ . 1 . 2]" 1
1852 1 93 ASP QB 1 94 ILE HG12 . . 5.340 4.682 4.213 4.984 . 0 0 "[ . 1 . 2]" 1
1853 1 94 ILE H 1 94 ILE HB . . 3.680 2.683 2.553 2.823 . 0 0 "[ . 1 . 2]" 1
1854 1 94 ILE H 1 94 ILE MD . . 4.470 4.067 3.827 4.219 . 0 0 "[ . 1 . 2]" 1
1855 1 94 ILE H 1 94 ILE HG12 . . 4.670 3.870 3.558 4.014 . 0 0 "[ . 1 . 2]" 1
1856 1 94 ILE H 1 94 ILE HG13 . . 3.000 2.780 2.405 2.936 . 0 0 "[ . 1 . 2]" 1
1857 1 94 ILE H 1 95 PHE H . . 4.420 4.296 4.146 4.424 0.004 8 0 "[ . 1 . 2]" 1
1858 1 94 ILE H 1 95 PHE HA . . 5.140 4.851 4.671 5.050 . 0 0 "[ . 1 . 2]" 1
1859 1 94 ILE HA 1 94 ILE MD . . 3.920 3.828 3.812 3.852 . 0 0 "[ . 1 . 2]" 1
1860 1 94 ILE HA 1 94 ILE HG12 . . 3.260 2.536 2.500 2.595 . 0 0 "[ . 1 . 2]" 1
1861 1 94 ILE HA 1 94 ILE HG13 . . 3.170 3.085 2.991 3.169 . 0 0 "[ . 1 . 2]" 1
1862 1 94 ILE HA 1 94 ILE MG . . 3.260 2.359 2.299 2.396 . 0 0 "[ . 1 . 2]" 1
1863 1 94 ILE HA 1 95 PHE H . . 3.260 2.147 2.139 2.198 . 0 0 "[ . 1 . 2]" 1
1864 1 94 ILE HB 1 94 ILE MD . . 3.220 2.355 2.295 2.386 . 0 0 "[ . 1 . 2]" 1
1865 1 94 ILE HB 1 95 PHE H . . 4.410 4.209 4.015 4.312 . 0 0 "[ . 1 . 2]" 1
1866 1 94 ILE HB 1 95 PHE HA . . 5.130 4.847 4.703 4.901 . 0 0 "[ . 1 . 2]" 1
1867 1 94 ILE MD 1 94 ILE MG . . 2.450 2.053 1.958 2.116 . 0 0 "[ . 1 . 2]" 1
1868 1 94 ILE MD 1 95 PHE H . . 5.420 5.158 4.883 5.275 . 0 0 "[ . 1 . 2]" 1
1869 1 94 ILE HG12 1 94 ILE MG . . 3.350 2.377 2.305 2.415 . 0 0 "[ . 1 . 2]" 1
1870 1 94 ILE HG12 1 95 PHE H . . 4.910 4.462 4.257 4.611 . 0 0 "[ . 1 . 2]" 1
1871 1 94 ILE HG13 1 95 PHE H . . 5.420 5.110 5.019 5.178 . 0 0 "[ . 1 . 2]" 1
1872 1 94 ILE MG 1 95 PHE H . . 3.480 2.645 2.205 2.938 . 0 0 "[ . 1 . 2]" 1
1873 1 94 ILE MG 1 96 ARG H . . 4.050 3.807 3.642 4.044 . 0 0 "[ . 1 . 2]" 1
1874 1 94 ILE MG 1 96 ARG HA . . 4.270 3.998 3.811 4.159 . 0 0 "[ . 1 . 2]" 1
1875 1 94 ILE MG 1 96 ARG HD2 . . 5.500 3.882 2.019 5.331 . 0 0 "[ . 1 . 2]" 1
1876 1 94 ILE MG 1 96 ARG QD . . 4.750 3.231 2.007 4.270 . 0 0 "[ . 1 . 2]" 1
1877 1 94 ILE MG 1 96 ARG HD3 . . 5.500 3.803 2.769 4.833 . 0 0 "[ . 1 . 2]" 1
1878 1 95 PHE H 1 95 PHE HB2 . . 3.350 2.885 2.711 3.155 . 0 0 "[ . 1 . 2]" 1
1879 1 95 PHE H 1 95 PHE HB3 . . 3.290 2.567 2.519 2.693 . 0 0 "[ . 1 . 2]" 1
1880 1 95 PHE H 1 95 PHE QD . . 4.500 4.271 4.258 4.351 . 0 0 "[ . 1 . 2]" 1
1881 1 95 PHE H 1 96 ARG H . . 4.320 4.247 4.183 4.329 0.009 13 0 "[ . 1 . 2]" 1
1882 1 95 PHE HA 1 95 PHE QD . . 3.760 2.092 2.031 2.202 . 0 0 "[ . 1 . 2]" 1
1883 1 95 PHE HA 1 96 ARG H . . 2.810 2.151 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
1884 1 95 PHE HA 1 96 ARG HA . . 4.890 4.405 4.393 4.412 . 0 0 "[ . 1 . 2]" 1
1885 1 95 PHE HA 1 96 ARG QB . . 5.030 4.457 4.258 4.605 . 0 0 "[ . 1 . 2]" 1
1886 1 95 PHE HB2 1 96 ARG H . . 4.590 4.420 4.338 4.500 . 0 0 "[ . 1 . 2]" 1
1887 1 95 PHE HB3 1 96 ARG H . . 4.590 4.358 4.273 4.410 . 0 0 "[ . 1 . 2]" 1
1888 1 95 PHE QD 1 96 ARG H . . 3.590 3.038 2.853 3.585 . 0 0 "[ . 1 . 2]" 1
1889 1 95 PHE QE 1 96 ARG H . . 4.930 4.530 4.315 4.890 . 0 0 "[ . 1 . 2]" 1
1890 1 95 PHE QE 1 97 ILE HB . . 5.500 4.887 4.746 5.113 . 0 0 "[ . 1 . 2]" 1
1891 1 95 PHE QE 1 97 ILE MG . . 4.010 2.521 2.344 2.675 . 0 0 "[ . 1 . 2]" 1
1892 1 95 PHE HZ 1 97 ILE MG . . 4.470 2.628 2.507 3.228 . 0 0 "[ . 1 . 2]" 1
1893 1 96 ARG H 1 96 ARG HB2 . . 3.680 2.802 2.289 3.671 . 0 0 "[ . 1 . 2]" 1
1894 1 96 ARG H 1 96 ARG QB . . 3.040 2.548 2.263 2.898 . 0 0 "[ . 1 . 2]" 1
1895 1 96 ARG H 1 96 ARG HB3 . . 3.680 3.457 2.670 3.691 0.011 7 0 "[ . 1 . 2]" 1
1896 1 96 ARG H 1 96 ARG HD2 . . 4.870 4.124 2.493 4.832 . 0 0 "[ . 1 . 2]" 1
1897 1 96 ARG H 1 96 ARG QD . . 4.230 3.442 2.137 4.252 0.022 3 0 "[ . 1 . 2]" 1
1898 1 96 ARG H 1 96 ARG HD3 . . 4.870 3.866 2.154 4.880 0.010 11 0 "[ . 1 . 2]" 1
1899 1 96 ARG H 1 97 ILE QG . . 5.490 5.124 5.035 5.259 . 0 0 "[ . 1 . 2]" 1
1900 1 96 ARG H 1 97 ILE MG . . 4.240 4.130 4.021 4.245 0.005 14 0 "[ . 1 . 2]" 1
1901 1 96 ARG HA 1 96 ARG HD2 . . 5.500 4.546 3.393 5.239 . 0 0 "[ . 1 . 2]" 1
1902 1 96 ARG HA 1 96 ARG QD . . 4.700 3.941 3.253 4.220 . 0 0 "[ . 1 . 2]" 1
1903 1 96 ARG HA 1 96 ARG HD3 . . 5.500 4.430 3.684 5.012 . 0 0 "[ . 1 . 2]" 1
1904 1 96 ARG HA 1 97 ILE H . . 3.360 2.220 2.150 2.317 . 0 0 "[ . 1 . 2]" 1
1905 1 96 ARG HA 1 97 ILE HA . . 4.760 4.449 4.404 4.490 . 0 0 "[ . 1 . 2]" 1
1906 1 96 ARG HA 1 97 ILE QG . . 5.280 3.416 3.345 3.539 . 0 0 "[ . 1 . 2]" 1
1907 1 96 ARG HA 1 97 ILE MG . . 4.590 3.875 3.761 3.963 . 0 0 "[ . 1 . 2]" 1
1908 1 96 ARG QB 1 97 ILE H . . 3.540 2.896 2.599 3.191 . 0 0 "[ . 1 . 2]" 1
1909 1 96 ARG QB 1 98 TYR QE . . 4.650 4.184 3.810 4.529 . 0 0 "[ . 1 . 2]" 1
1910 1 96 ARG HB2 1 96 ARG HD2 . . 3.960 3.035 2.500 3.938 . 0 0 "[ . 1 . 2]" 1
1911 1 96 ARG HB2 1 96 ARG HD3 . . 3.960 3.034 2.049 3.799 . 0 0 "[ . 1 . 2]" 1
1912 1 96 ARG HB2 1 97 ILE H . . 4.360 3.729 2.857 4.152 . 0 0 "[ . 1 . 2]" 1
1913 1 96 ARG HB2 1 98 TYR QE . . 5.500 4.711 3.884 5.244 . 0 0 "[ . 1 . 2]" 1
1914 1 96 ARG HB3 1 96 ARG HD2 . . 3.960 3.109 2.176 4.030 0.070 5 0 "[ . 1 . 2]" 1
1915 1 96 ARG HB3 1 96 ARG HD3 . . 3.960 2.939 2.005 3.768 . 0 0 "[ . 1 . 2]" 1
1916 1 96 ARG HB3 1 97 ILE H . . 4.360 3.231 2.652 4.147 . 0 0 "[ . 1 . 2]" 1
1917 1 96 ARG HB3 1 98 TYR QE . . 5.500 4.905 4.378 5.516 0.016 12 0 "[ . 1 . 2]" 1
1918 1 96 ARG QD 1 97 ILE H . . 5.340 5.170 4.789 5.409 0.069 5 0 "[ . 1 . 2]" 1
1919 1 97 ILE H 1 97 ILE MD . . 4.130 4.046 3.933 4.103 . 0 0 "[ . 1 . 2]" 1
1920 1 97 ILE H 1 97 ILE QG . . 3.480 2.364 2.245 2.435 . 0 0 "[ . 1 . 2]" 1
1921 1 97 ILE H 1 97 ILE MG . . 3.400 3.315 3.208 3.378 . 0 0 "[ . 1 . 2]" 1
1922 1 97 ILE H 1 98 TYR H . . 4.520 4.371 4.317 4.426 . 0 0 "[ . 1 . 2]" 1
1923 1 97 ILE H 1 98 TYR QE . . 5.500 5.428 5.132 5.507 0.007 7 0 "[ . 1 . 2]" 1
1924 1 97 ILE HA 1 97 ILE MD . . 4.230 4.169 4.157 4.180 . 0 0 "[ . 1 . 2]" 1
1925 1 97 ILE HA 1 97 ILE MG . . 3.370 2.195 2.134 2.292 . 0 0 "[ . 1 . 2]" 1
1926 1 97 ILE HA 1 98 TYR H . . 3.290 2.314 2.242 2.462 . 0 0 "[ . 1 . 2]" 1
1927 1 97 ILE HA 1 98 TYR HB2 . . 4.840 4.539 4.468 4.603 . 0 0 "[ . 1 . 2]" 1
1928 1 97 ILE HA 1 98 TYR QD . . 4.060 2.910 2.799 3.004 . 0 0 "[ . 1 . 2]" 1
1929 1 97 ILE HB 1 97 ILE MD . . 3.420 2.337 2.223 2.433 . 0 0 "[ . 1 . 2]" 1
1930 1 97 ILE HB 1 98 TYR H . . 3.880 2.612 2.237 2.826 . 0 0 "[ . 1 . 2]" 1
1931 1 97 ILE HB 1 98 TYR HA . . 5.500 4.523 4.416 4.571 . 0 0 "[ . 1 . 2]" 1
1932 1 97 ILE HB 1 99 ILE MD . . 3.750 2.944 2.717 3.112 . 0 0 "[ . 1 . 2]" 1
1933 1 97 ILE MD 1 97 ILE MG . . 2.900 2.116 1.936 2.286 . 0 0 "[ . 1 . 2]" 1
1934 1 97 ILE MD 1 98 TYR H . . 4.770 4.506 4.211 4.733 . 0 0 "[ . 1 . 2]" 1
1935 1 97 ILE MD 1 99 ILE HA . . 5.500 4.828 4.542 5.153 . 0 0 "[ . 1 . 2]" 1
1936 1 97 ILE MD 1 99 ILE MD . . 3.270 2.118 1.875 2.409 . 0 0 "[ . 1 . 2]" 1
1937 1 97 ILE MD 1 99 ILE QG . . 4.520 3.388 3.088 3.774 . 0 0 "[ . 1 . 2]" 1
1938 1 97 ILE MD 1 99 ILE MG . . 5.110 4.560 4.333 4.781 . 0 0 "[ . 1 . 2]" 1
1939 1 97 ILE QG 1 98 TYR HA . . 5.500 4.303 4.194 4.358 . 0 0 "[ . 1 . 2]" 1
1940 1 97 ILE QG 1 99 ILE H . . 5.500 4.331 4.115 4.519 . 0 0 "[ . 1 . 2]" 1
1941 1 97 ILE QG 1 99 ILE MD . . 3.840 2.537 2.263 2.800 . 0 0 "[ . 1 . 2]" 1
1942 1 97 ILE MG 1 98 TYR H . . 4.010 3.545 3.434 3.600 . 0 0 "[ . 1 . 2]" 1
1943 1 98 TYR H 1 98 TYR HB2 . . 3.610 2.452 2.405 2.510 . 0 0 "[ . 1 . 2]" 1
1944 1 98 TYR H 1 98 TYR QD . . 3.910 2.315 2.218 2.426 . 0 0 "[ . 1 . 2]" 1
1945 1 98 TYR H 1 99 ILE H . . 4.360 4.270 4.183 4.338 . 0 0 "[ . 1 . 2]" 1
1946 1 98 TYR H 1 99 ILE HA . . 5.290 4.968 4.864 5.022 . 0 0 "[ . 1 . 2]" 1
1947 1 98 TYR H 1 99 ILE MD . . 4.940 4.056 3.892 4.137 . 0 0 "[ . 1 . 2]" 1
1948 1 98 TYR H 1 99 ILE QG . . 5.100 4.928 4.785 5.073 . 0 0 "[ . 1 . 2]" 1
1949 1 98 TYR HA 1 98 TYR QD . . 4.510 3.140 3.113 3.153 . 0 0 "[ . 1 . 2]" 1
1950 1 98 TYR HA 1 99 ILE H . . 3.130 2.147 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
1951 1 98 TYR HA 1 99 ILE HA . . 5.060 4.408 4.397 4.416 . 0 0 "[ . 1 . 2]" 1
1952 1 98 TYR HA 1 99 ILE HB . . 5.240 4.762 4.719 4.797 . 0 0 "[ . 1 . 2]" 1
1953 1 98 TYR HA 1 99 ILE MD . . 4.610 4.120 3.957 4.238 . 0 0 "[ . 1 . 2]" 1
1954 1 98 TYR HA 1 99 ILE QG . . 4.650 3.712 3.623 3.773 . 0 0 "[ . 1 . 2]" 1
1955 1 98 TYR HA 1 100 LYS HG3 . . 5.500 5.497 5.416 5.519 0.019 5 0 "[ . 1 . 2]" 1
1956 1 98 TYR HB2 1 99 ILE H . . 5.410 4.419 4.370 4.466 . 0 0 "[ . 1 . 2]" 1
1957 1 98 TYR HB3 1 99 ILE H . . 4.120 3.652 3.559 3.725 . 0 0 "[ . 1 . 2]" 1
1958 1 98 TYR QD 1 99 ILE H . . 4.810 4.637 4.573 4.690 . 0 0 "[ . 1 . 2]" 1
1959 1 99 ILE H 1 99 ILE HB . . 3.320 2.623 2.585 2.664 . 0 0 "[ . 1 . 2]" 1
1960 1 99 ILE H 1 99 ILE MD . . 3.450 3.158 3.080 3.266 . 0 0 "[ . 1 . 2]" 1
1961 1 99 ILE H 1 99 ILE QG . . 3.500 2.196 2.134 2.266 . 0 0 "[ . 1 . 2]" 1
1962 1 99 ILE H 1 99 ILE MG . . 4.190 3.806 3.803 3.808 . 0 0 "[ . 1 . 2]" 1
1963 1 99 ILE H 1 100 LYS H . . 4.520 4.520 4.488 4.546 0.026 18 0 "[ . 1 . 2]" 1
1964 1 99 ILE H 1 100 LYS HG3 . . 5.080 4.998 4.917 5.059 . 0 0 "[ . 1 . 2]" 1
1965 1 99 ILE HA 1 99 ILE MD . . 4.010 2.073 1.963 2.191 . 0 0 "[ . 1 . 2]" 1
1966 1 99 ILE HA 1 99 ILE QG . . 3.440 3.051 3.020 3.085 . 0 0 "[ . 1 . 2]" 1
1967 1 99 ILE HA 1 99 ILE MG . . 3.270 2.310 2.214 2.381 . 0 0 "[ . 1 . 2]" 1
1968 1 99 ILE HA 1 100 LYS H . . 3.380 2.164 2.148 2.183 . 0 0 "[ . 1 . 2]" 1
1969 1 99 ILE HA 1 100 LYS HB3 . . 5.500 5.519 5.496 5.542 0.042 11 0 "[ . 1 . 2]" 1
1970 1 99 ILE HA 1 100 LYS HG3 . . 5.090 4.803 4.713 4.898 . 0 0 "[ . 1 . 2]" 1
1971 1 99 ILE HB 1 100 LYS H . . 5.060 4.029 3.942 4.115 . 0 0 "[ . 1 . 2]" 1
1972 1 99 ILE QG 1 99 ILE MG . . 3.240 2.277 2.194 2.330 . 0 0 "[ . 1 . 2]" 1
1973 1 99 ILE QG 1 100 LYS H . . 4.940 4.688 4.649 4.724 . 0 0 "[ . 1 . 2]" 1
1974 1 99 ILE MG 1 100 LYS H . . 2.940 2.458 2.141 2.623 . 0 0 "[ . 1 . 2]" 1
1975 1 99 ILE MG 1 100 LYS HA . . 4.420 3.570 3.433 3.705 . 0 0 "[ . 1 . 2]" 1
1976 1 99 ILE MG 1 100 LYS HG3 . . 5.500 5.242 5.119 5.341 . 0 0 "[ . 1 . 2]" 1
1977 1 99 ILE MG 1 101 GLU HA . . 4.670 4.410 4.339 4.478 . 0 0 "[ . 1 . 2]" 1
1978 1 99 ILE MG 1 101 GLU QG . . 5.500 5.111 5.021 5.177 . 0 0 "[ . 1 . 2]" 1
1979 1 100 LYS H 1 100 LYS HB2 . . 3.530 2.651 2.601 2.699 . 0 0 "[ . 1 . 2]" 1
1980 1 100 LYS H 1 100 LYS HB3 . . 4.170 3.627 3.577 3.668 . 0 0 "[ . 1 . 2]" 1
1981 1 100 LYS H 1 100 LYS HD2 . . 5.500 5.441 5.346 5.503 0.003 2 0 "[ . 1 . 2]" 1
1982 1 100 LYS H 1 100 LYS HD3 . . 5.500 5.472 5.420 5.507 0.007 2 0 "[ . 1 . 2]" 1
1983 1 100 LYS H 1 100 LYS HG2 . . 4.720 4.448 4.369 4.522 . 0 0 "[ . 1 . 2]" 1
1984 1 100 LYS H 1 101 GLU H . . 4.640 4.227 4.176 4.291 . 0 0 "[ . 1 . 2]" 1
1985 1 100 LYS HA 1 100 LYS HD2 . . 4.870 4.631 4.613 4.649 . 0 0 "[ . 1 . 2]" 1
1986 1 100 LYS HA 1 100 LYS HD3 . . 4.700 4.135 4.040 4.197 . 0 0 "[ . 1 . 2]" 1
1987 1 100 LYS HA 1 100 LYS HG2 . . 4.040 2.214 2.172 2.259 . 0 0 "[ . 1 . 2]" 1
1988 1 100 LYS HA 1 100 LYS HG3 . . 3.510 2.946 2.868 3.040 . 0 0 "[ . 1 . 2]" 1
1989 1 100 LYS HA 1 101 GLU H . . 3.130 2.155 2.148 2.167 . 0 0 "[ . 1 . 2]" 1
1990 1 100 LYS HA 1 101 GLU HA . . 4.450 4.365 4.360 4.370 . 0 0 "[ . 1 . 2]" 1
1991 1 100 LYS HA 1 101 GLU QB . . 5.150 4.460 4.440 4.527 . 0 0 "[ . 1 . 2]" 1
1992 1 100 LYS HA 1 101 GLU QG . . 4.380 3.756 3.644 3.815 . 0 0 "[ . 1 . 2]" 1
1993 1 100 LYS HB2 1 100 LYS HD2 . . 3.910 2.905 2.821 2.973 . 0 0 "[ . 1 . 2]" 1
1994 1 100 LYS HB2 1 100 LYS HD3 . . 4.150 3.031 2.963 3.103 . 0 0 "[ . 1 . 2]" 1
1995 1 100 LYS HB2 1 100 LYS HE2 . . 4.880 4.558 4.494 4.637 . 0 0 "[ . 1 . 2]" 1
1996 1 100 LYS HB2 1 100 LYS QE . . 4.260 4.148 4.113 4.169 . 0 0 "[ . 1 . 2]" 1
1997 1 100 LYS HB2 1 100 LYS HE3 . . 4.880 4.776 4.683 4.893 0.013 5 0 "[ . 1 . 2]" 1
1998 1 100 LYS HB3 1 100 LYS HD2 . . 3.680 3.103 3.037 3.170 . 0 0 "[ . 1 . 2]" 1
1999 1 100 LYS HB3 1 100 LYS HD3 . . 2.600 2.174 2.136 2.228 . 0 0 "[ . 1 . 2]" 1
2000 1 100 LYS HB3 1 101 GLU H . . 3.410 3.418 3.357 3.466 0.056 15 0 "[ . 1 . 2]" 1
2001 1 100 LYS HD2 1 100 LYS HG3 . . 2.740 2.316 2.293 2.339 . 0 0 "[ . 1 . 2]" 1
2002 1 100 LYS HD3 1 101 GLU QG . . 5.500 5.444 5.254 5.505 0.005 8 0 "[ . 1 . 2]" 1
2003 1 100 LYS HE2 1 100 LYS HG2 . . 4.160 2.175 2.098 2.362 . 0 0 "[ . 1 . 2]" 1
2004 1 100 LYS HE3 1 100 LYS HG2 . . 4.160 3.272 3.041 3.601 . 0 0 "[ . 1 . 2]" 1
2005 1 100 LYS HG2 1 101 GLU H . . 3.970 3.629 3.500 3.712 . 0 0 "[ . 1 . 2]" 1
2006 1 100 LYS HG2 1 101 GLU QG . . 5.500 4.544 4.334 4.674 . 0 0 "[ . 1 . 2]" 1
2007 1 100 LYS HG3 1 101 GLU H . . 5.100 4.865 4.752 4.972 . 0 0 "[ . 1 . 2]" 1
2008 1 101 GLU H 1 101 GLU QB . . 2.960 2.694 2.676 2.717 . 0 0 "[ . 1 . 2]" 1
2009 1 101 GLU H 1 101 GLU QG . . 3.580 1.972 1.899 2.048 . 0 0 "[ . 1 . 2]" 1
2010 1 101 GLU H 1 102 LYS H . . 4.690 4.563 4.534 4.594 . 0 0 "[ . 1 . 2]" 1
2011 1 101 GLU HA 1 101 GLU QG . . 3.330 3.341 3.321 3.352 0.022 20 0 "[ . 1 . 2]" 1
2012 1 101 GLU HA 1 102 LYS H . . 2.530 2.175 2.157 2.198 . 0 0 "[ . 1 . 2]" 1
2013 1 101 GLU HA 1 102 LYS HA . . 4.450 4.341 4.328 4.349 . 0 0 "[ . 1 . 2]" 1
2014 1 101 GLU HA 1 102 LYS HB2 . . 5.500 4.601 4.457 4.676 . 0 0 "[ . 1 . 2]" 1
2015 1 101 GLU HA 1 102 LYS HG2 . . 5.240 4.733 4.532 5.196 . 0 0 "[ . 1 . 2]" 1
2016 1 101 GLU HA 1 102 LYS HG3 . . 4.830 4.159 4.046 4.411 . 0 0 "[ . 1 . 2]" 1
2017 1 101 GLU QB 1 101 GLU QG . . 2.410 2.026 2.021 2.034 . 0 0 "[ . 1 . 2]" 1
2018 1 101 GLU QB 1 102 LYS H . . 3.120 3.034 2.937 3.122 0.002 11 0 "[ . 1 . 2]" 1
2019 1 101 GLU QG 1 102 LYS H . . 4.630 4.376 4.341 4.435 . 0 0 "[ . 1 . 2]" 1
2020 1 101 GLU QG 1 102 LYS HA . . 5.500 4.988 4.863 5.157 . 0 0 "[ . 1 . 2]" 1
2021 1 102 LYS H 1 102 LYS HB2 . . 3.220 2.443 2.284 2.532 . 0 0 "[ . 1 . 2]" 1
2022 1 102 LYS H 1 102 LYS HB3 . . 3.800 3.585 3.545 3.599 . 0 0 "[ . 1 . 2]" 1
2023 1 102 LYS H 1 102 LYS QD . . 4.640 4.344 4.256 4.508 . 0 0 "[ . 1 . 2]" 1
2024 1 102 LYS H 1 102 LYS HG2 . . 4.070 3.149 2.967 3.504 . 0 0 "[ . 1 . 2]" 1
2025 1 102 LYS H 1 102 LYS HG3 . . 3.290 2.487 2.364 2.719 . 0 0 "[ . 1 . 2]" 1
2026 1 102 LYS HA 1 102 LYS QD . . 4.090 3.713 3.647 3.794 . 0 0 "[ . 1 . 2]" 1
2027 1 102 LYS HA 1 102 LYS QE . . 5.120 4.516 4.379 4.822 . 0 0 "[ . 1 . 2]" 1
2028 1 102 LYS HA 1 102 LYS HG2 . . 3.530 2.369 2.252 2.441 . 0 0 "[ . 1 . 2]" 1
2029 1 102 LYS HA 1 102 LYS HG3 . . 4.020 3.348 3.150 3.433 . 0 0 "[ . 1 . 2]" 1
2030 1 102 LYS HB2 1 102 LYS QD . . 3.240 3.077 2.678 3.197 . 0 0 "[ . 1 . 2]" 1
2031 1 102 LYS HB2 1 102 LYS QE . . 3.780 2.424 2.146 3.209 . 0 0 "[ . 1 . 2]" 1
2032 1 102 LYS HB2 1 102 LYS HG3 . . 2.850 2.296 2.274 2.330 . 0 0 "[ . 1 . 2]" 1
2033 1 102 LYS HB3 1 102 LYS QD . . 2.760 2.236 2.078 2.313 . 0 0 "[ . 1 . 2]" 1
2034 1 102 LYS HB3 1 102 LYS QE . . 3.720 2.727 2.366 3.666 . 0 0 "[ . 1 . 2]" 1
2035 1 102 LYS HB3 1 102 LYS HG2 . . 2.870 2.620 2.572 2.653 . 0 0 "[ . 1 . 2]" 1
2036 1 102 LYS QD 1 102 LYS HG3 . . 2.780 2.396 2.351 2.532 . 0 0 "[ . 1 . 2]" 1
2037 1 102 LYS QE 1 102 LYS HG2 . . 3.550 3.295 3.175 3.425 . 0 0 "[ . 1 . 2]" 1
2038 1 102 LYS QE 1 102 LYS HG3 . . 3.360 2.304 1.995 2.419 . 0 0 "[ . 1 . 2]" 1
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