NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414592 |
2cto   |
11132 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cto
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 1502
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 27.430
_Distance_constraint_stats_list.Viol_max 0.072
_Distance_constraint_stats_list.Viol_rms 0.0011
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0070
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.003 0.003 19 0 "[ . 1 . 2]"
1 14 SER 0.003 0.003 19 0 "[ . 1 . 2]"
1 15 ARG 0.009 0.005 7 0 "[ . 1 . 2]"
1 16 ASN 0.020 0.020 7 0 "[ . 1 . 2]"
1 17 ALA 0.001 0.001 17 0 "[ . 1 . 2]"
1 18 TYR 0.055 0.018 17 0 "[ . 1 . 2]"
1 19 TYR 0.009 0.005 7 0 "[ . 1 . 2]"
1 20 PHE 0.004 0.002 14 0 "[ . 1 . 2]"
1 21 PHE 0.006 0.004 18 0 "[ . 1 . 2]"
1 22 VAL 0.013 0.007 17 0 "[ . 1 . 2]"
1 23 GLN 0.052 0.014 17 0 "[ . 1 . 2]"
1 24 GLU 0.001 0.001 11 0 "[ . 1 . 2]"
1 25 LYS 0.003 0.003 16 0 "[ . 1 . 2]"
1 26 ILE 0.023 0.005 10 0 "[ . 1 . 2]"
1 27 PRO 0.004 0.002 17 0 "[ . 1 . 2]"
1 28 GLU 0.007 0.003 16 0 "[ . 1 . 2]"
1 29 LEU 0.024 0.005 10 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.008 0.007 14 0 "[ . 1 . 2]"
1 32 ARG 0.048 0.037 14 0 "[ . 1 . 2]"
1 33 GLY 0.046 0.037 14 0 "[ . 1 . 2]"
1 34 LEU 0.025 0.004 11 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.016 0.006 18 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ARG 0.003 0.002 16 0 "[ . 1 . 2]"
1 39 VAL 0.014 0.013 17 0 "[ . 1 . 2]"
1 40 ALA 0.003 0.002 16 0 "[ . 1 . 2]"
1 41 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
1 42 ALA 0.013 0.006 18 0 "[ . 1 . 2]"
1 43 ILE 0.014 0.005 16 0 "[ . 1 . 2]"
1 44 PRO 0.013 0.008 4 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 15 0 "[ . 1 . 2]"
1 46 CYS 0.055 0.018 17 0 "[ . 1 . 2]"
1 47 SER 0.001 0.001 20 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.036 0.033 20 0 "[ . 1 . 2]"
1 50 TRP 0.043 0.033 20 0 "[ . 1 . 2]"
1 51 ALA 0.006 0.005 20 0 "[ . 1 . 2]"
1 52 LEU 0.062 0.020 15 0 "[ . 1 . 2]"
1 53 LEU 0.006 0.003 2 0 "[ . 1 . 2]"
1 54 ARG 0.002 0.001 2 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 19 0 "[ . 1 . 2]"
1 56 GLU 0.058 0.029 3 0 "[ . 1 . 2]"
1 57 GLU 0.007 0.003 2 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.007 0.005 10 0 "[ . 1 . 2]"
1 60 LYS 0.002 0.001 17 0 "[ . 1 . 2]"
1 61 TYR 0.012 0.006 17 0 "[ . 1 . 2]"
1 62 ALA 0.007 0.005 10 0 "[ . 1 . 2]"
1 63 GLU 0.236 0.072 17 0 "[ . 1 . 2]"
1 64 MET 0.033 0.008 7 0 "[ . 1 . 2]"
1 65 ALA 0.048 0.017 7 0 "[ . 1 . 2]"
1 66 ARG 0.356 0.052 12 0 "[ . 1 . 2]"
1 67 GLU 0.334 0.052 12 0 "[ . 1 . 2]"
1 68 TRP 0.108 0.030 7 0 "[ . 1 . 2]"
1 69 ARG 0.081 0.023 19 0 "[ . 1 . 2]"
1 70 ALA 0.010 0.010 20 0 "[ . 1 . 2]"
1 71 ALA 0.005 0.004 20 0 "[ . 1 . 2]"
1 72 GLN 0.019 0.010 20 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.015 0.010 20 0 "[ . 1 . 2]"
1 75 ASP 0.004 0.002 6 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.004 0.002 6 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLN 0.004 0.004 17 0 "[ . 1 . 2]"
1 83 LYS 0.123 0.065 13 0 "[ . 1 . 2]"
1 84 PRO 0.119 0.065 13 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.009 0.005 4 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 7 GLY QA 1 8 MET HA . . 4.070 3.969 3.932 4.024 . 0 0 "[ . 1 . 2]" 1
2 1 8 MET HA 1 9 PRO HA . . 4.510 4.402 4.391 4.422 . 0 0 "[ . 1 . 2]" 1
3 1 8 MET HA 1 9 PRO HD2 . . 3.430 2.263 2.112 2.384 . 0 0 "[ . 1 . 2]" 1
4 1 8 MET HA 1 9 PRO QD . . 2.980 2.016 1.939 2.081 . 0 0 "[ . 1 . 2]" 1
5 1 8 MET HA 1 9 PRO HD3 . . 3.430 2.266 2.255 2.293 . 0 0 "[ . 1 . 2]" 1
6 1 11 ARG HA 1 11 ARG QD . . 4.490 3.592 2.394 4.418 . 0 0 "[ . 1 . 2]" 1
7 1 11 ARG HA 1 11 ARG QG . . 3.790 2.654 2.207 3.437 . 0 0 "[ . 1 . 2]" 1
8 1 11 ARG QB 1 11 ARG QD . . 3.090 2.211 2.051 2.704 . 0 0 "[ . 1 . 2]" 1
9 1 11 ARG HB2 1 11 ARG QD . . 3.580 2.647 2.105 3.557 . 0 0 "[ . 1 . 2]" 1
10 1 11 ARG HB3 1 11 ARG QD . . 3.580 2.679 2.074 3.474 . 0 0 "[ . 1 . 2]" 1
11 1 12 LYS HA 1 12 LYS QD . . 4.810 3.426 2.006 4.480 . 0 0 "[ . 1 . 2]" 1
12 1 12 LYS HA 1 12 LYS QE . . 4.950 4.126 1.964 4.699 . 0 0 "[ . 1 . 2]" 1
13 1 12 LYS HA 1 12 LYS QG . . 3.900 2.481 2.196 3.340 . 0 0 "[ . 1 . 2]" 1
14 1 13 ALA MB 1 14 SER H . . 5.220 2.904 2.115 3.717 . 0 0 "[ . 1 . 2]" 1
15 1 13 ALA MB 1 14 SER QB . . 4.960 4.537 3.628 4.963 0.003 19 0 "[ . 1 . 2]" 1
16 1 14 SER QB 1 15 ARG H . . 5.500 2.697 2.043 3.802 . 0 0 "[ . 1 . 2]" 1
17 1 15 ARG HA 1 15 ARG QD . . 4.730 3.866 2.378 4.119 . 0 0 "[ . 1 . 2]" 1
18 1 15 ARG HA 1 16 ASN H . . 3.310 2.178 2.140 2.305 . 0 0 "[ . 1 . 2]" 1
19 1 15 ARG HA 1 16 ASN HA . . 4.720 4.421 4.392 4.509 . 0 0 "[ . 1 . 2]" 1
20 1 15 ARG HA 1 19 TYR H . . 4.600 4.489 4.247 4.605 0.005 7 0 "[ . 1 . 2]" 1
21 1 15 ARG HA 1 19 TYR HB2 . . 4.380 2.756 2.398 3.149 . 0 0 "[ . 1 . 2]" 1
22 1 15 ARG HA 1 19 TYR HB3 . . 4.380 2.838 2.473 3.168 . 0 0 "[ . 1 . 2]" 1
23 1 15 ARG HA 1 19 TYR QD . . 4.500 3.511 3.061 3.860 . 0 0 "[ . 1 . 2]" 1
24 1 15 ARG HB2 1 16 ASN H . . 4.740 4.207 3.873 4.439 . 0 0 "[ . 1 . 2]" 1
25 1 15 ARG HB2 1 20 PHE QE . . 4.300 3.499 2.421 3.969 . 0 0 "[ . 1 . 2]" 1
26 1 15 ARG HB2 1 68 TRP HE3 . . 5.060 4.664 3.536 5.064 0.004 10 0 "[ . 1 . 2]" 1
27 1 15 ARG HB3 1 16 ASN H . . 4.540 3.265 2.694 3.717 . 0 0 "[ . 1 . 2]" 1
28 1 15 ARG HB3 1 19 TYR H . . 5.500 5.349 4.937 5.497 . 0 0 "[ . 1 . 2]" 1
29 1 15 ARG HB3 1 19 TYR HB2 . . 5.240 4.111 3.702 4.588 . 0 0 "[ . 1 . 2]" 1
30 1 15 ARG HB3 1 19 TYR HB3 . . 5.240 3.076 2.571 3.437 . 0 0 "[ . 1 . 2]" 1
31 1 15 ARG HB3 1 19 TYR QD . . 4.680 3.074 2.296 3.563 . 0 0 "[ . 1 . 2]" 1
32 1 15 ARG HB3 1 19 TYR QE . . 4.820 4.135 3.272 4.821 0.001 7 0 "[ . 1 . 2]" 1
33 1 15 ARG HB3 1 20 PHE QE . . 4.180 2.714 2.163 3.106 . 0 0 "[ . 1 . 2]" 1
34 1 15 ARG HB3 1 20 PHE HZ . . 5.490 5.011 4.385 5.490 . 0 0 "[ . 1 . 2]" 1
35 1 15 ARG QD 1 19 TYR QD . . 4.560 3.643 2.631 4.427 . 0 0 "[ . 1 . 2]" 1
36 1 15 ARG QD 1 19 TYR QE . . 4.010 3.111 2.075 4.002 . 0 0 "[ . 1 . 2]" 1
37 1 15 ARG QD 1 20 PHE QE . . 5.260 3.573 3.148 4.111 . 0 0 "[ . 1 . 2]" 1
38 1 15 ARG QD 1 20 PHE HZ . . 5.340 4.815 4.251 5.340 . 0 0 "[ . 1 . 2]" 1
39 1 15 ARG QG 1 19 TYR QE . . 4.960 3.183 2.390 4.442 . 0 0 "[ . 1 . 2]" 1
40 1 16 ASN H 1 16 ASN QB . . 3.690 2.636 2.380 2.880 . 0 0 "[ . 1 . 2]" 1
41 1 16 ASN H 1 17 ALA H . . 5.050 4.415 4.350 4.515 . 0 0 "[ . 1 . 2]" 1
42 1 16 ASN H 1 18 TYR H . . 4.930 4.418 4.076 4.600 . 0 0 "[ . 1 . 2]" 1
43 1 16 ASN H 1 19 TYR H . . 4.270 2.814 2.607 2.959 . 0 0 "[ . 1 . 2]" 1
44 1 16 ASN H 1 19 TYR HA . . 4.580 4.467 4.271 4.571 . 0 0 "[ . 1 . 2]" 1
45 1 16 ASN H 1 19 TYR HB2 . . 3.930 2.503 2.198 2.814 . 0 0 "[ . 1 . 2]" 1
46 1 16 ASN H 1 19 TYR QB . . 3.440 1.946 1.795 2.181 . 0 0 "[ . 1 . 2]" 1
47 1 16 ASN H 1 19 TYR HB3 . . 3.930 2.051 1.899 2.459 . 0 0 "[ . 1 . 2]" 1
48 1 16 ASN H 1 19 TYR QD . . 4.900 3.908 3.732 4.129 . 0 0 "[ . 1 . 2]" 1
49 1 16 ASN H 1 65 ALA MB . . 4.790 4.424 4.091 4.714 . 0 0 "[ . 1 . 2]" 1
50 1 16 ASN HA 1 16 ASN HD21 . . 3.820 2.691 2.064 3.185 . 0 0 "[ . 1 . 2]" 1
51 1 16 ASN HA 1 16 ASN QD . . 3.210 2.620 2.047 3.039 . 0 0 "[ . 1 . 2]" 1
52 1 16 ASN HA 1 16 ASN HD22 . . 3.820 3.659 3.390 3.840 0.020 7 0 "[ . 1 . 2]" 1
53 1 16 ASN HA 1 17 ALA H . . 3.300 2.511 2.359 2.618 . 0 0 "[ . 1 . 2]" 1
54 1 16 ASN HA 1 17 ALA HA . . 4.420 4.311 4.298 4.328 . 0 0 "[ . 1 . 2]" 1
55 1 16 ASN HA 1 18 TYR H . . 4.630 4.476 4.173 4.613 . 0 0 "[ . 1 . 2]" 1
56 1 16 ASN HA 1 19 TYR H . . 4.780 4.597 4.431 4.774 . 0 0 "[ . 1 . 2]" 1
57 1 16 ASN HA 1 65 ALA MB . . 3.620 2.886 2.494 3.105 . 0 0 "[ . 1 . 2]" 1
58 1 16 ASN QB 1 17 ALA H . . 3.470 2.543 2.011 3.173 . 0 0 "[ . 1 . 2]" 1
59 1 16 ASN QB 1 18 TYR H . . 4.050 2.803 2.552 3.028 . 0 0 "[ . 1 . 2]" 1
60 1 16 ASN QB 1 65 ALA MB . . 4.600 4.415 4.030 4.594 . 0 0 "[ . 1 . 2]" 1
61 1 16 ASN HB2 1 17 ALA H . . 4.070 3.691 3.448 4.045 . 0 0 "[ . 1 . 2]" 1
62 1 16 ASN HB2 1 18 TYR H . . 4.830 3.885 3.163 4.650 . 0 0 "[ . 1 . 2]" 1
63 1 16 ASN HB2 1 65 ALA MB . . 5.460 5.147 4.670 5.437 . 0 0 "[ . 1 . 2]" 1
64 1 16 ASN HB3 1 17 ALA H . . 4.070 2.616 2.024 3.317 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASN HB3 1 18 TYR H . . 4.830 2.928 2.572 3.200 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASN HB3 1 65 ALA MB . . 5.460 4.839 4.281 5.258 . 0 0 "[ . 1 . 2]" 1
67 1 16 ASN QD 1 18 TYR H . . 5.330 4.928 2.284 5.327 . 0 0 "[ . 1 . 2]" 1
68 1 17 ALA H 1 17 ALA MB . . 3.580 2.167 2.054 2.258 . 0 0 "[ . 1 . 2]" 1
69 1 17 ALA H 1 18 TYR H . . 3.960 3.026 2.876 3.099 . 0 0 "[ . 1 . 2]" 1
70 1 17 ALA H 1 62 ALA HA . . 4.530 2.644 2.385 2.990 . 0 0 "[ . 1 . 2]" 1
71 1 17 ALA H 1 62 ALA MB . . 3.870 3.051 2.718 3.420 . 0 0 "[ . 1 . 2]" 1
72 1 17 ALA H 1 65 ALA MB . . 4.490 3.260 3.029 3.495 . 0 0 "[ . 1 . 2]" 1
73 1 17 ALA HA 1 19 TYR H . . 5.010 4.665 4.449 4.920 . 0 0 "[ . 1 . 2]" 1
74 1 17 ALA HA 1 20 PHE H . . 4.270 3.644 3.481 3.815 . 0 0 "[ . 1 . 2]" 1
75 1 17 ALA HA 1 20 PHE QB . . 3.980 2.723 2.504 2.899 . 0 0 "[ . 1 . 2]" 1
76 1 17 ALA HA 1 20 PHE QD . . 4.090 3.983 3.852 4.091 0.001 17 0 "[ . 1 . 2]" 1
77 1 17 ALA HA 1 21 PHE H . . 5.100 4.302 3.791 4.438 . 0 0 "[ . 1 . 2]" 1
78 1 17 ALA HA 1 50 TRP HH2 . . 4.830 4.210 4.021 4.386 . 0 0 "[ . 1 . 2]" 1
79 1 17 ALA HA 1 61 TYR HB2 . . 4.180 3.547 3.257 3.796 . 0 0 "[ . 1 . 2]" 1
80 1 17 ALA HA 1 65 ALA H . . 4.770 4.592 4.419 4.767 . 0 0 "[ . 1 . 2]" 1
81 1 17 ALA HA 1 65 ALA MB . . 3.150 2.933 2.667 3.146 . 0 0 "[ . 1 . 2]" 1
82 1 17 ALA MB 1 18 TYR H . . 3.280 2.526 2.348 2.721 . 0 0 "[ . 1 . 2]" 1
83 1 17 ALA MB 1 18 TYR HA . . 4.410 3.746 3.641 3.806 . 0 0 "[ . 1 . 2]" 1
84 1 17 ALA MB 1 18 TYR HB2 . . 4.950 4.021 3.921 4.094 . 0 0 "[ . 1 . 2]" 1
85 1 17 ALA MB 1 18 TYR QD . . 5.170 4.983 4.881 5.121 . 0 0 "[ . 1 . 2]" 1
86 1 17 ALA MB 1 19 TYR H . . 5.090 4.664 4.510 4.864 . 0 0 "[ . 1 . 2]" 1
87 1 17 ALA MB 1 20 PHE H . . 4.940 4.726 4.596 4.859 . 0 0 "[ . 1 . 2]" 1
88 1 17 ALA MB 1 21 PHE H . . 4.860 4.691 4.382 4.842 . 0 0 "[ . 1 . 2]" 1
89 1 17 ALA MB 1 50 TRP HH2 . . 3.320 2.060 1.848 2.381 . 0 0 "[ . 1 . 2]" 1
90 1 17 ALA MB 1 50 TRP HZ2 . . 3.590 2.907 2.587 3.203 . 0 0 "[ . 1 . 2]" 1
91 1 17 ALA MB 1 50 TRP HZ3 . . 4.700 3.783 3.424 4.128 . 0 0 "[ . 1 . 2]" 1
92 1 17 ALA MB 1 61 TYR H . . 4.240 3.708 3.473 4.069 . 0 0 "[ . 1 . 2]" 1
93 1 17 ALA MB 1 61 TYR HA . . 4.770 3.948 3.710 4.337 . 0 0 "[ . 1 . 2]" 1
94 1 17 ALA MB 1 61 TYR HB2 . . 3.700 2.156 1.980 2.663 . 0 0 "[ . 1 . 2]" 1
95 1 17 ALA MB 1 61 TYR HB3 . . 3.670 2.178 2.001 2.686 . 0 0 "[ . 1 . 2]" 1
96 1 17 ALA MB 1 61 TYR QD . . 4.240 3.806 3.681 4.125 . 0 0 "[ . 1 . 2]" 1
97 1 17 ALA MB 1 62 ALA H . . 3.100 2.288 2.055 2.530 . 0 0 "[ . 1 . 2]" 1
98 1 17 ALA MB 1 62 ALA HA . . 2.880 2.184 2.045 2.480 . 0 0 "[ . 1 . 2]" 1
99 1 18 TYR H 1 18 TYR HB2 . . 3.090 2.433 2.355 2.550 . 0 0 "[ . 1 . 2]" 1
100 1 18 TYR H 1 18 TYR HB3 . . 3.160 2.634 2.533 2.715 . 0 0 "[ . 1 . 2]" 1
101 1 18 TYR H 1 18 TYR QD . . 4.320 4.155 4.110 4.195 . 0 0 "[ . 1 . 2]" 1
102 1 18 TYR H 1 19 TYR H . . 3.490 2.795 2.620 2.927 . 0 0 "[ . 1 . 2]" 1
103 1 18 TYR H 1 20 PHE H . . 4.790 4.241 4.062 4.376 . 0 0 "[ . 1 . 2]" 1
104 1 18 TYR H 1 50 TRP HH2 . . 4.820 4.126 3.868 4.381 . 0 0 "[ . 1 . 2]" 1
105 1 18 TYR H 1 50 TRP HZ2 . . 4.700 4.101 3.927 4.440 . 0 0 "[ . 1 . 2]" 1
106 1 18 TYR HA 1 18 TYR QD . . 3.410 2.346 2.103 2.710 . 0 0 "[ . 1 . 2]" 1
107 1 18 TYR HA 1 18 TYR QE . . 4.590 4.421 4.316 4.558 . 0 0 "[ . 1 . 2]" 1
108 1 18 TYR HA 1 20 PHE H . . 4.630 4.493 4.327 4.621 . 0 0 "[ . 1 . 2]" 1
109 1 18 TYR HA 1 21 PHE H . . 3.890 3.458 3.307 3.653 . 0 0 "[ . 1 . 2]" 1
110 1 18 TYR HA 1 21 PHE HB2 . . 4.330 3.653 3.407 3.850 . 0 0 "[ . 1 . 2]" 1
111 1 18 TYR HA 1 21 PHE HB3 . . 3.880 2.692 2.500 2.864 . 0 0 "[ . 1 . 2]" 1
112 1 18 TYR HA 1 21 PHE QD . . 4.510 3.960 3.656 4.276 . 0 0 "[ . 1 . 2]" 1
113 1 18 TYR HA 1 22 VAL H . . 4.380 4.135 3.850 4.387 0.007 17 0 "[ . 1 . 2]" 1
114 1 18 TYR HA 1 22 VAL MG2 . . 5.280 3.937 3.643 4.205 . 0 0 "[ . 1 . 2]" 1
115 1 18 TYR HA 1 50 TRP HH2 . . 5.500 3.750 3.537 4.060 . 0 0 "[ . 1 . 2]" 1
116 1 18 TYR HA 1 50 TRP HZ3 . . 4.590 3.659 3.260 3.925 . 0 0 "[ . 1 . 2]" 1
117 1 18 TYR HB2 1 19 TYR H . . 3.970 3.711 3.614 3.860 . 0 0 "[ . 1 . 2]" 1
118 1 18 TYR HB2 1 22 VAL MG2 . . 5.500 4.997 4.707 5.373 . 0 0 "[ . 1 . 2]" 1
119 1 18 TYR HB2 1 50 TRP HE1 . . 4.770 4.067 3.864 4.313 . 0 0 "[ . 1 . 2]" 1
120 1 18 TYR HB2 1 50 TRP HH2 . . 5.500 4.839 4.547 5.062 . 0 0 "[ . 1 . 2]" 1
121 1 18 TYR HB2 1 50 TRP HZ2 . . 4.990 3.857 3.776 3.971 . 0 0 "[ . 1 . 2]" 1
122 1 18 TYR HB3 1 19 TYR H . . 3.750 2.384 2.197 2.592 . 0 0 "[ . 1 . 2]" 1
123 1 18 TYR HB3 1 50 TRP HZ2 . . 5.500 5.479 5.412 5.501 0.001 17 0 "[ . 1 . 2]" 1
124 1 18 TYR QD 1 19 TYR HA . . 4.400 3.945 3.336 4.402 0.002 17 0 "[ . 1 . 2]" 1
125 1 18 TYR QD 1 21 PHE HB3 . . 4.470 3.759 3.408 4.079 . 0 0 "[ . 1 . 2]" 1
126 1 18 TYR QD 1 21 PHE QD . . 3.980 3.655 3.058 3.975 . 0 0 "[ . 1 . 2]" 1
127 1 18 TYR QD 1 22 VAL MG2 . . 4.130 3.259 3.002 3.568 . 0 0 "[ . 1 . 2]" 1
128 1 18 TYR QD 1 43 ILE HA . . 5.340 5.114 4.824 5.337 . 0 0 "[ . 1 . 2]" 1
129 1 18 TYR QD 1 43 ILE MD . . 4.500 4.195 4.014 4.462 . 0 0 "[ . 1 . 2]" 1
130 1 18 TYR QD 1 43 ILE HG12 . . 5.100 3.954 3.692 4.274 . 0 0 "[ . 1 . 2]" 1
131 1 18 TYR QD 1 43 ILE MG . . 4.780 4.529 4.242 4.755 . 0 0 "[ . 1 . 2]" 1
132 1 18 TYR QD 1 47 SER HA . . 5.390 5.021 4.444 5.391 0.001 20 0 "[ . 1 . 2]" 1
133 1 18 TYR QD 1 50 TRP HA . . 5.170 4.891 4.706 5.052 . 0 0 "[ . 1 . 2]" 1
134 1 18 TYR QD 1 50 TRP HB2 . . 4.550 3.191 2.777 3.445 . 0 0 "[ . 1 . 2]" 1
135 1 18 TYR QD 1 50 TRP HB3 . . 4.190 3.803 3.529 4.032 . 0 0 "[ . 1 . 2]" 1
136 1 18 TYR QD 1 50 TRP HD1 . . 5.300 3.639 3.179 4.221 . 0 0 "[ . 1 . 2]" 1
137 1 18 TYR QE 1 21 PHE HB3 . . 5.160 4.902 4.645 5.158 . 0 0 "[ . 1 . 2]" 1
138 1 18 TYR QE 1 21 PHE QD . . 3.860 3.609 2.976 3.848 . 0 0 "[ . 1 . 2]" 1
139 1 18 TYR QE 1 21 PHE QE . . 4.410 4.172 3.311 4.398 . 0 0 "[ . 1 . 2]" 1
140 1 18 TYR QE 1 22 VAL MG2 . . 3.760 2.904 2.469 3.318 . 0 0 "[ . 1 . 2]" 1
141 1 18 TYR QE 1 43 ILE HA . . 4.030 3.350 2.998 3.746 . 0 0 "[ . 1 . 2]" 1
142 1 18 TYR QE 1 43 ILE HB . . 4.980 4.796 4.619 4.985 0.005 16 0 "[ . 1 . 2]" 1
143 1 18 TYR QE 1 43 ILE MD . . 4.080 3.217 2.900 3.599 . 0 0 "[ . 1 . 2]" 1
144 1 18 TYR QE 1 43 ILE HG12 . . 4.000 2.481 2.084 2.780 . 0 0 "[ . 1 . 2]" 1
145 1 18 TYR QE 1 43 ILE HG13 . . 4.520 4.197 3.831 4.438 . 0 0 "[ . 1 . 2]" 1
146 1 18 TYR QE 1 43 ILE MG . . 3.390 2.562 2.297 2.812 . 0 0 "[ . 1 . 2]" 1
147 1 18 TYR QE 1 46 CYS H . . 5.500 5.342 5.040 5.498 . 0 0 "[ . 1 . 2]" 1
148 1 18 TYR QE 1 46 CYS HB2 . . 4.800 4.309 4.100 4.740 . 0 0 "[ . 1 . 2]" 1
149 1 18 TYR QE 1 46 CYS QB . . 4.120 3.731 3.424 4.008 . 0 0 "[ . 1 . 2]" 1
150 1 18 TYR QE 1 46 CYS HB3 . . 4.800 4.128 3.629 4.818 0.018 17 0 "[ . 1 . 2]" 1
151 1 18 TYR QE 1 47 SER HA . . 3.930 2.802 2.111 3.260 . 0 0 "[ . 1 . 2]" 1
152 1 18 TYR QE 1 47 SER QB . . 4.740 4.206 3.657 4.696 . 0 0 "[ . 1 . 2]" 1
153 1 18 TYR QE 1 50 TRP H . . 4.170 4.084 3.871 4.167 . 0 0 "[ . 1 . 2]" 1
154 1 18 TYR QE 1 50 TRP HA . . 4.970 4.569 4.398 4.892 . 0 0 "[ . 1 . 2]" 1
155 1 18 TYR QE 1 50 TRP HB2 . . 3.310 2.285 2.090 2.502 . 0 0 "[ . 1 . 2]" 1
156 1 18 TYR QE 1 50 TRP HB3 . . 3.510 2.386 2.045 3.044 . 0 0 "[ . 1 . 2]" 1
157 1 18 TYR QE 1 50 TRP HD1 . . 4.850 3.427 2.868 4.377 . 0 0 "[ . 1 . 2]" 1
158 1 19 TYR H 1 19 TYR HB2 . . 3.720 2.581 2.483 2.744 . 0 0 "[ . 1 . 2]" 1
159 1 19 TYR H 1 19 TYR QB . . 3.030 2.249 2.219 2.267 . 0 0 "[ . 1 . 2]" 1
160 1 19 TYR H 1 19 TYR HB3 . . 3.720 2.486 2.344 2.579 . 0 0 "[ . 1 . 2]" 1
161 1 19 TYR H 1 19 TYR QD . . 4.210 4.183 4.129 4.206 . 0 0 "[ . 1 . 2]" 1
162 1 19 TYR H 1 20 PHE H . . 3.360 2.809 2.631 2.936 . 0 0 "[ . 1 . 2]" 1
163 1 19 TYR H 1 22 VAL MG2 . . 4.980 4.673 4.388 4.974 . 0 0 "[ . 1 . 2]" 1
164 1 19 TYR HA 1 19 TYR QD . . 3.930 3.059 2.746 3.234 . 0 0 "[ . 1 . 2]" 1
165 1 19 TYR HA 1 19 TYR QE . . 5.150 4.780 4.620 4.893 . 0 0 "[ . 1 . 2]" 1
166 1 19 TYR HA 1 21 PHE H . . 4.470 4.356 4.048 4.459 . 0 0 "[ . 1 . 2]" 1
167 1 19 TYR HA 1 22 VAL H . . 4.180 3.574 3.341 3.815 . 0 0 "[ . 1 . 2]" 1
168 1 19 TYR HA 1 22 VAL HB . . 4.050 2.950 2.610 3.320 . 0 0 "[ . 1 . 2]" 1
169 1 19 TYR HA 1 22 VAL MG1 . . 4.950 4.296 3.986 4.667 . 0 0 "[ . 1 . 2]" 1
170 1 19 TYR HA 1 22 VAL MG2 . . 4.250 3.350 3.055 3.547 . 0 0 "[ . 1 . 2]" 1
171 1 19 TYR HA 1 23 GLN H . . 4.650 4.043 3.721 4.429 . 0 0 "[ . 1 . 2]" 1
172 1 19 TYR HA 1 39 VAL MG1 . . 4.060 2.893 2.342 3.140 . 0 0 "[ . 1 . 2]" 1
173 1 19 TYR HA 1 39 VAL MG2 . . 5.100 4.001 3.390 4.537 . 0 0 "[ . 1 . 2]" 1
174 1 19 TYR HA 1 43 ILE MD . . 5.500 5.395 5.177 5.496 . 0 0 "[ . 1 . 2]" 1
175 1 19 TYR QB 1 20 PHE H . . 3.370 2.512 2.389 2.620 . 0 0 "[ . 1 . 2]" 1
176 1 19 TYR HB2 1 20 PHE H . . 3.990 3.888 3.795 3.984 . 0 0 "[ . 1 . 2]" 1
177 1 19 TYR HB3 1 20 PHE H . . 3.990 2.544 2.415 2.658 . 0 0 "[ . 1 . 2]" 1
178 1 19 TYR QD 1 20 PHE H . . 4.100 3.051 2.606 3.348 . 0 0 "[ . 1 . 2]" 1
179 1 19 TYR QD 1 20 PHE HA . . 4.010 2.834 2.476 3.330 . 0 0 "[ . 1 . 2]" 1
180 1 19 TYR QD 1 20 PHE QD . . 4.860 2.530 2.030 2.876 . 0 0 "[ . 1 . 2]" 1
181 1 19 TYR QD 1 20 PHE QE . . 4.780 3.582 3.134 4.044 . 0 0 "[ . 1 . 2]" 1
182 1 19 TYR QD 1 23 GLN HB2 . . 5.100 3.675 3.181 4.228 . 0 0 "[ . 1 . 2]" 1
183 1 19 TYR QD 1 23 GLN HB3 . . 5.190 4.597 4.213 5.163 . 0 0 "[ . 1 . 2]" 1
184 1 19 TYR QD 1 39 VAL HB . . 5.500 4.152 3.601 4.872 . 0 0 "[ . 1 . 2]" 1
185 1 19 TYR QD 1 39 VAL MG1 . . 4.030 2.766 2.267 3.376 . 0 0 "[ . 1 . 2]" 1
186 1 19 TYR QD 1 39 VAL MG2 . . 4.870 3.423 2.955 3.871 . 0 0 "[ . 1 . 2]" 1
187 1 19 TYR QE 1 20 PHE H . . 5.480 5.270 4.851 5.480 0.000 17 0 "[ . 1 . 2]" 1
188 1 19 TYR QE 1 20 PHE HA . . 4.770 4.107 3.637 4.615 . 0 0 "[ . 1 . 2]" 1
189 1 19 TYR QE 1 20 PHE QD . . 5.060 4.478 3.854 4.766 . 0 0 "[ . 1 . 2]" 1
190 1 19 TYR QE 1 20 PHE QE . . 4.940 4.523 3.676 4.907 . 0 0 "[ . 1 . 2]" 1
191 1 19 TYR QE 1 23 GLN HB2 . . 4.310 3.526 2.960 4.026 . 0 0 "[ . 1 . 2]" 1
192 1 19 TYR QE 1 23 GLN HB3 . . 5.360 4.465 3.865 5.151 . 0 0 "[ . 1 . 2]" 1
193 1 19 TYR QE 1 23 GLN QE . . 4.960 3.254 2.319 4.311 . 0 0 "[ . 1 . 2]" 1
194 1 19 TYR QE 1 23 GLN QG . . 5.340 3.574 2.779 4.180 . 0 0 "[ . 1 . 2]" 1
195 1 19 TYR QE 1 39 VAL HB . . 4.540 3.407 2.791 4.172 . 0 0 "[ . 1 . 2]" 1
196 1 19 TYR QE 1 39 VAL MG1 . . 4.000 3.418 2.813 3.811 . 0 0 "[ . 1 . 2]" 1
197 1 19 TYR QE 1 39 VAL MG2 . . 4.030 2.802 2.086 3.308 . 0 0 "[ . 1 . 2]" 1
198 1 20 PHE H 1 20 PHE HB2 . . 3.680 2.203 2.185 2.246 . 0 0 "[ . 1 . 2]" 1
199 1 20 PHE H 1 20 PHE QB . . 3.060 2.181 2.164 2.222 . 0 0 "[ . 1 . 2]" 1
200 1 20 PHE H 1 20 PHE HB3 . . 3.680 3.506 3.494 3.531 . 0 0 "[ . 1 . 2]" 1
201 1 20 PHE H 1 20 PHE QD . . 3.260 2.283 2.122 2.359 . 0 0 "[ . 1 . 2]" 1
202 1 20 PHE H 1 20 PHE QE . . 4.750 4.623 4.477 4.693 . 0 0 "[ . 1 . 2]" 1
203 1 20 PHE H 1 21 PHE H . . 3.290 2.673 2.528 2.779 . 0 0 "[ . 1 . 2]" 1
204 1 20 PHE H 1 21 PHE HB2 . . 5.380 5.223 5.040 5.338 . 0 0 "[ . 1 . 2]" 1
205 1 20 PHE H 1 21 PHE HB3 . . 5.020 4.769 4.618 4.869 . 0 0 "[ . 1 . 2]" 1
206 1 20 PHE H 1 22 VAL H . . 4.520 4.306 4.135 4.503 . 0 0 "[ . 1 . 2]" 1
207 1 20 PHE H 1 65 ALA MB . . 4.770 4.111 3.864 4.302 . 0 0 "[ . 1 . 2]" 1
208 1 20 PHE HA 1 20 PHE QD . . 3.660 2.963 2.767 3.020 . 0 0 "[ . 1 . 2]" 1
209 1 20 PHE HA 1 23 GLN H . . 3.880 3.554 3.330 3.757 . 0 0 "[ . 1 . 2]" 1
210 1 20 PHE HA 1 23 GLN HB2 . . 3.920 3.128 2.689 3.467 . 0 0 "[ . 1 . 2]" 1
211 1 20 PHE HA 1 23 GLN HB3 . . 3.630 2.962 2.720 3.173 . 0 0 "[ . 1 . 2]" 1
212 1 20 PHE HA 1 23 GLN QG . . 5.180 4.455 3.965 4.756 . 0 0 "[ . 1 . 2]" 1
213 1 20 PHE HA 1 24 GLU H . . 4.800 4.306 4.079 4.527 . 0 0 "[ . 1 . 2]" 1
214 1 20 PHE HA 1 61 TYR QD . . 5.280 4.593 4.341 4.745 . 0 0 "[ . 1 . 2]" 1
215 1 20 PHE QB 1 21 PHE H . . 3.430 2.716 2.621 2.923 . 0 0 "[ . 1 . 2]" 1
216 1 20 PHE QB 1 21 PHE HB2 . . 5.340 4.313 4.199 4.439 . 0 0 "[ . 1 . 2]" 1
217 1 20 PHE QB 1 61 TYR HA . . 5.100 3.990 3.576 4.165 . 0 0 "[ . 1 . 2]" 1
218 1 20 PHE QB 1 61 TYR HB3 . . 4.220 3.080 2.885 3.247 . 0 0 "[ . 1 . 2]" 1
219 1 20 PHE QB 1 64 MET HG2 . . 5.340 4.478 3.818 4.773 . 0 0 "[ . 1 . 2]" 1
220 1 20 PHE QB 1 65 ALA MB . . 4.370 3.251 2.952 3.451 . 0 0 "[ . 1 . 2]" 1
221 1 20 PHE HB2 1 21 PHE H . . 3.960 2.867 2.759 3.092 . 0 0 "[ . 1 . 2]" 1
222 1 20 PHE HB2 1 61 TYR HB3 . . 4.890 3.213 2.993 3.396 . 0 0 "[ . 1 . 2]" 1
223 1 20 PHE HB2 1 61 TYR QD . . 3.690 2.652 2.475 3.022 . 0 0 "[ . 1 . 2]" 1
224 1 20 PHE HB3 1 21 PHE H . . 3.960 3.366 3.234 3.599 . 0 0 "[ . 1 . 2]" 1
225 1 20 PHE HB3 1 61 TYR HB3 . . 4.890 3.955 3.774 4.127 . 0 0 "[ . 1 . 2]" 1
226 1 20 PHE HB3 1 61 TYR QD . . 3.690 2.166 2.000 2.310 . 0 0 "[ . 1 . 2]" 1
227 1 20 PHE QD 1 64 MET ME . . 4.470 3.519 2.429 4.284 . 0 0 "[ . 1 . 2]" 1
228 1 20 PHE QD 1 64 MET HG2 . . 4.770 4.450 3.953 4.745 . 0 0 "[ . 1 . 2]" 1
229 1 20 PHE QD 1 64 MET HG3 . . 5.060 3.336 2.911 3.745 . 0 0 "[ . 1 . 2]" 1
230 1 20 PHE QD 1 65 ALA HA . . 4.250 3.853 3.683 4.017 . 0 0 "[ . 1 . 2]" 1
231 1 20 PHE QD 1 65 ALA MB . . 3.540 2.701 2.378 3.041 . 0 0 "[ . 1 . 2]" 1
232 1 20 PHE QE 1 64 MET ME . . 5.100 4.366 2.924 5.100 0.000 17 0 "[ . 1 . 2]" 1
233 1 20 PHE QE 1 64 MET HG3 . . 5.500 3.631 3.041 4.084 . 0 0 "[ . 1 . 2]" 1
234 1 20 PHE QE 1 65 ALA H . . 4.940 4.743 4.430 4.888 . 0 0 "[ . 1 . 2]" 1
235 1 20 PHE QE 1 65 ALA HA . . 3.470 2.880 2.726 2.980 . 0 0 "[ . 1 . 2]" 1
236 1 20 PHE QE 1 65 ALA MB . . 3.630 2.606 2.232 2.866 . 0 0 "[ . 1 . 2]" 1
237 1 20 PHE QE 1 68 TRP H . . 5.440 5.211 4.927 5.350 . 0 0 "[ . 1 . 2]" 1
238 1 20 PHE QE 1 68 TRP HB2 . . 4.440 3.650 3.337 3.869 . 0 0 "[ . 1 . 2]" 1
239 1 20 PHE QE 1 68 TRP HB3 . . 4.440 3.643 3.424 3.764 . 0 0 "[ . 1 . 2]" 1
240 1 20 PHE QE 1 68 TRP HD1 . . 5.270 4.885 4.578 5.194 . 0 0 "[ . 1 . 2]" 1
241 1 20 PHE HZ 1 65 ALA HA . . 4.550 2.607 2.424 2.779 . 0 0 "[ . 1 . 2]" 1
242 1 20 PHE HZ 1 65 ALA MB . . 5.240 3.623 3.461 3.893 . 0 0 "[ . 1 . 2]" 1
243 1 20 PHE HZ 1 68 TRP H . . 4.950 4.857 4.483 4.952 0.002 14 0 "[ . 1 . 2]" 1
244 1 20 PHE HZ 1 68 TRP HA . . 5.470 5.391 5.118 5.465 . 0 0 "[ . 1 . 2]" 1
245 1 20 PHE HZ 1 68 TRP HB2 . . 4.210 3.544 3.299 3.737 . 0 0 "[ . 1 . 2]" 1
246 1 20 PHE HZ 1 68 TRP QB . . 3.680 2.567 2.263 2.639 . 0 0 "[ . 1 . 2]" 1
247 1 20 PHE HZ 1 68 TRP HB3 . . 4.210 2.636 2.305 2.714 . 0 0 "[ . 1 . 2]" 1
248 1 20 PHE HZ 1 68 TRP HD1 . . 5.010 4.916 4.760 5.008 . 0 0 "[ . 1 . 2]" 1
249 1 20 PHE HZ 1 68 TRP HE3 . . 4.880 2.295 2.151 2.570 . 0 0 "[ . 1 . 2]" 1
250 1 21 PHE H 1 21 PHE HB2 . . 3.330 2.701 2.610 2.802 . 0 0 "[ . 1 . 2]" 1
251 1 21 PHE H 1 21 PHE HB3 . . 3.280 2.386 2.302 2.452 . 0 0 "[ . 1 . 2]" 1
252 1 21 PHE H 1 21 PHE QD . . 4.250 4.156 4.103 4.180 . 0 0 "[ . 1 . 2]" 1
253 1 21 PHE H 1 22 VAL H . . 3.370 2.675 2.414 2.816 . 0 0 "[ . 1 . 2]" 1
254 1 21 PHE H 1 22 VAL HB . . 5.000 4.837 4.470 4.996 . 0 0 "[ . 1 . 2]" 1
255 1 21 PHE H 1 22 VAL MG2 . . 4.560 4.246 4.027 4.492 . 0 0 "[ . 1 . 2]" 1
256 1 21 PHE H 1 23 GLN H . . 4.520 4.001 3.761 4.224 . 0 0 "[ . 1 . 2]" 1
257 1 21 PHE H 1 50 TRP HZ3 . . 4.670 4.207 4.003 4.399 . 0 0 "[ . 1 . 2]" 1
258 1 21 PHE H 1 61 TYR HB3 . . 4.540 4.193 3.716 4.438 . 0 0 "[ . 1 . 2]" 1
259 1 21 PHE HA 1 21 PHE QD . . 3.610 2.694 2.548 2.817 . 0 0 "[ . 1 . 2]" 1
260 1 21 PHE HA 1 23 GLN H . . 4.790 4.401 3.950 4.608 . 0 0 "[ . 1 . 2]" 1
261 1 21 PHE HA 1 24 GLU H . . 4.100 3.670 3.444 3.970 . 0 0 "[ . 1 . 2]" 1
262 1 21 PHE HA 1 24 GLU QB . . 3.810 3.148 2.909 3.545 . 0 0 "[ . 1 . 2]" 1
263 1 21 PHE HA 1 61 TYR QD . . 4.380 3.650 3.224 4.009 . 0 0 "[ . 1 . 2]" 1
264 1 21 PHE HA 1 61 TYR QE . . 3.740 2.633 2.168 2.879 . 0 0 "[ . 1 . 2]" 1
265 1 21 PHE HB2 1 22 VAL H . . 4.060 3.912 3.759 4.045 . 0 0 "[ . 1 . 2]" 1
266 1 21 PHE HB2 1 22 VAL MG2 . . 5.410 4.743 4.467 4.991 . 0 0 "[ . 1 . 2]" 1
267 1 21 PHE HB2 1 50 TRP HE3 . . 4.840 2.984 2.819 3.144 . 0 0 "[ . 1 . 2]" 1
268 1 21 PHE HB2 1 50 TRP HH2 . . 5.500 4.088 3.966 4.302 . 0 0 "[ . 1 . 2]" 1
269 1 21 PHE HB2 1 50 TRP HZ3 . . 4.190 2.041 2.001 2.155 . 0 0 "[ . 1 . 2]" 1
270 1 21 PHE HB2 1 61 TYR HB2 . . 5.500 4.626 4.231 4.793 . 0 0 "[ . 1 . 2]" 1
271 1 21 PHE HB2 1 61 TYR QD . . 4.620 3.626 3.411 3.817 . 0 0 "[ . 1 . 2]" 1
272 1 21 PHE HB3 1 22 VAL H . . 3.570 2.549 2.304 2.753 . 0 0 "[ . 1 . 2]" 1
273 1 21 PHE HB3 1 22 VAL MG2 . . 4.640 3.233 2.924 3.579 . 0 0 "[ . 1 . 2]" 1
274 1 21 PHE HB3 1 50 TRP HE3 . . 5.240 3.013 2.815 3.148 . 0 0 "[ . 1 . 2]" 1
275 1 21 PHE HB3 1 50 TRP HZ3 . . 4.640 3.112 2.809 3.290 . 0 0 "[ . 1 . 2]" 1
276 1 21 PHE HB3 1 61 TYR QD . . 4.880 4.794 4.486 4.884 0.004 18 0 "[ . 1 . 2]" 1
277 1 21 PHE QD 1 22 VAL H . . 3.860 3.241 2.845 3.537 . 0 0 "[ . 1 . 2]" 1
278 1 21 PHE QD 1 22 VAL HA . . 4.520 3.507 3.195 3.905 . 0 0 "[ . 1 . 2]" 1
279 1 21 PHE QD 1 22 VAL MG2 . . 3.850 2.472 2.234 2.801 . 0 0 "[ . 1 . 2]" 1
280 1 21 PHE QD 1 25 LYS QD . . 5.320 4.989 4.482 5.267 . 0 0 "[ . 1 . 2]" 1
281 1 21 PHE QD 1 25 LYS QE . . 5.220 3.878 3.371 4.606 . 0 0 "[ . 1 . 2]" 1
282 1 21 PHE QD 1 46 CYS HB2 . . 4.900 4.213 3.707 4.561 . 0 0 "[ . 1 . 2]" 1
283 1 21 PHE QD 1 46 CYS QB . . 4.130 3.106 2.662 3.609 . 0 0 "[ . 1 . 2]" 1
284 1 21 PHE QD 1 46 CYS HB3 . . 4.900 3.296 2.694 4.812 . 0 0 "[ . 1 . 2]" 1
285 1 21 PHE QD 1 50 TRP HA . . 5.170 4.082 3.880 4.330 . 0 0 "[ . 1 . 2]" 1
286 1 21 PHE QD 1 50 TRP HB2 . . 4.880 2.828 2.523 3.117 . 0 0 "[ . 1 . 2]" 1
287 1 21 PHE QD 1 50 TRP HB3 . . 5.190 4.491 4.205 4.787 . 0 0 "[ . 1 . 2]" 1
288 1 21 PHE QD 1 50 TRP HE3 . . 4.480 2.771 2.583 2.913 . 0 0 "[ . 1 . 2]" 1
289 1 21 PHE QD 1 50 TRP HZ3 . . 4.570 3.414 3.230 3.602 . 0 0 "[ . 1 . 2]" 1
290 1 21 PHE QD 1 53 LEU MD1 . . 4.470 2.704 2.443 2.976 . 0 0 "[ . 1 . 2]" 1
291 1 21 PHE QD 1 53 LEU MD2 . . 4.440 3.872 3.578 4.114 . 0 0 "[ . 1 . 2]" 1
292 1 21 PHE QD 1 61 TYR QD . . 4.790 4.414 4.221 4.765 . 0 0 "[ . 1 . 2]" 1
293 1 21 PHE QD 1 61 TYR QE . . 4.080 3.371 3.123 3.693 . 0 0 "[ . 1 . 2]" 1
294 1 21 PHE QE 1 22 VAL HA . . 4.650 4.418 4.141 4.648 . 0 0 "[ . 1 . 2]" 1
295 1 21 PHE QE 1 22 VAL MG2 . . 4.550 3.810 3.470 4.107 . 0 0 "[ . 1 . 2]" 1
296 1 21 PHE QE 1 25 LYS QD . . 4.770 3.980 3.412 4.362 . 0 0 "[ . 1 . 2]" 1
297 1 21 PHE QE 1 25 LYS HE2 . . 4.470 3.089 2.093 4.314 . 0 0 "[ . 1 . 2]" 1
298 1 21 PHE QE 1 25 LYS HE3 . . 4.470 3.215 2.336 4.007 . 0 0 "[ . 1 . 2]" 1
299 1 21 PHE QE 1 25 LYS QG . . 4.310 3.251 3.028 3.408 . 0 0 "[ . 1 . 2]" 1
300 1 21 PHE QE 1 46 CYS HA . . 5.120 3.684 3.130 4.066 . 0 0 "[ . 1 . 2]" 1
301 1 21 PHE QE 1 46 CYS HB2 . . 4.270 3.683 2.002 4.265 . 0 0 "[ . 1 . 2]" 1
302 1 21 PHE QE 1 46 CYS QB . . 3.490 2.140 1.993 2.570 . 0 0 "[ . 1 . 2]" 1
303 1 21 PHE QE 1 46 CYS HB3 . . 4.270 2.317 2.002 3.672 . 0 0 "[ . 1 . 2]" 1
304 1 21 PHE QE 1 49 ASP HB2 . . 4.510 3.189 2.487 4.410 . 0 0 "[ . 1 . 2]" 1
305 1 21 PHE QE 1 49 ASP QB . . 3.790 2.651 2.433 3.075 . 0 0 "[ . 1 . 2]" 1
306 1 21 PHE QE 1 49 ASP HB3 . . 4.510 3.308 2.497 4.510 0.000 20 0 "[ . 1 . 2]" 1
307 1 21 PHE QE 1 50 TRP H . . 3.780 2.935 2.479 3.365 . 0 0 "[ . 1 . 2]" 1
308 1 21 PHE QE 1 50 TRP HA . . 4.350 3.353 3.078 3.580 . 0 0 "[ . 1 . 2]" 1
309 1 21 PHE QE 1 50 TRP HB2 . . 4.590 2.690 2.382 3.037 . 0 0 "[ . 1 . 2]" 1
310 1 21 PHE QE 1 50 TRP HB3 . . 4.490 4.023 3.677 4.378 . 0 0 "[ . 1 . 2]" 1
311 1 21 PHE QE 1 50 TRP HE3 . . 5.210 3.534 3.371 3.758 . 0 0 "[ . 1 . 2]" 1
312 1 21 PHE QE 1 53 LEU MD1 . . 3.990 2.860 2.530 3.179 . 0 0 "[ . 1 . 2]" 1
313 1 21 PHE QE 1 53 LEU MD2 . . 3.880 3.631 3.419 3.844 . 0 0 "[ . 1 . 2]" 1
314 1 21 PHE HZ 1 25 LYS QD . . 4.740 3.924 3.261 4.587 . 0 0 "[ . 1 . 2]" 1
315 1 21 PHE HZ 1 25 LYS HE2 . . 4.680 3.365 2.375 4.355 . 0 0 "[ . 1 . 2]" 1
316 1 21 PHE HZ 1 25 LYS QE . . 4.090 2.709 2.191 3.371 . 0 0 "[ . 1 . 2]" 1
317 1 21 PHE HZ 1 25 LYS HE3 . . 4.680 3.248 2.205 4.092 . 0 0 "[ . 1 . 2]" 1
318 1 21 PHE HZ 1 46 CYS QB . . 4.700 4.176 3.447 4.670 . 0 0 "[ . 1 . 2]" 1
319 1 21 PHE HZ 1 49 ASP H . . 5.500 5.074 4.661 5.494 . 0 0 "[ . 1 . 2]" 1
320 1 21 PHE HZ 1 49 ASP HA . . 4.830 4.567 4.217 4.831 0.001 20 0 "[ . 1 . 2]" 1
321 1 21 PHE HZ 1 49 ASP QB . . 3.510 2.187 1.914 2.526 . 0 0 "[ . 1 . 2]" 1
322 1 21 PHE HZ 1 50 TRP H . . 4.510 3.967 3.547 4.355 . 0 0 "[ . 1 . 2]" 1
323 1 21 PHE HZ 1 50 TRP HA . . 4.780 3.690 3.462 3.995 . 0 0 "[ . 1 . 2]" 1
324 1 21 PHE HZ 1 53 LEU MD1 . . 4.590 3.644 3.321 4.055 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL H 1 22 VAL HB . . 3.240 2.486 2.328 2.670 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL H 1 22 VAL MG1 . . 3.950 3.752 3.705 3.775 . 0 0 "[ . 1 . 2]" 1
327 1 22 VAL H 1 22 VAL MG2 . . 3.080 2.221 1.896 2.515 . 0 0 "[ . 1 . 2]" 1
328 1 22 VAL H 1 23 GLN HB2 . . 4.970 4.714 4.455 4.915 . 0 0 "[ . 1 . 2]" 1
329 1 22 VAL H 1 23 GLN HB3 . . 5.250 5.091 4.974 5.241 . 0 0 "[ . 1 . 2]" 1
330 1 22 VAL H 1 24 GLU H . . 4.570 4.219 4.016 4.485 . 0 0 "[ . 1 . 2]" 1
331 1 22 VAL H 1 39 VAL MG1 . . 5.100 4.371 3.965 4.753 . 0 0 "[ . 1 . 2]" 1
332 1 22 VAL HA 1 22 VAL MG1 . . 3.420 2.394 2.254 2.486 . 0 0 "[ . 1 . 2]" 1
333 1 22 VAL HA 1 22 VAL MG2 . . 3.310 2.357 2.194 2.501 . 0 0 "[ . 1 . 2]" 1
334 1 22 VAL HA 1 24 GLU H . . 5.180 4.298 4.079 4.549 . 0 0 "[ . 1 . 2]" 1
335 1 22 VAL HA 1 25 LYS H . . 3.920 3.605 3.483 3.829 . 0 0 "[ . 1 . 2]" 1
336 1 22 VAL HA 1 25 LYS HB2 . . 3.880 2.403 2.146 2.594 . 0 0 "[ . 1 . 2]" 1
337 1 22 VAL HA 1 25 LYS HB3 . . 4.240 3.990 3.707 4.187 . 0 0 "[ . 1 . 2]" 1
338 1 22 VAL HA 1 25 LYS HG2 . . 4.520 3.914 3.739 4.244 . 0 0 "[ . 1 . 2]" 1
339 1 22 VAL HA 1 25 LYS HG3 . . 4.520 3.203 3.039 3.724 . 0 0 "[ . 1 . 2]" 1
340 1 22 VAL HA 1 26 ILE H . . 5.060 4.364 4.086 4.523 . 0 0 "[ . 1 . 2]" 1
341 1 22 VAL HB 1 23 GLN H . . 3.430 2.736 2.496 3.009 . 0 0 "[ . 1 . 2]" 1
342 1 22 VAL HB 1 39 VAL MG1 . . 3.740 2.313 1.964 2.749 . 0 0 "[ . 1 . 2]" 1
343 1 22 VAL HB 1 39 VAL MG2 . . 4.260 3.222 2.560 3.801 . 0 0 "[ . 1 . 2]" 1
344 1 22 VAL MG1 1 23 GLN H . . 3.940 3.469 3.186 3.860 . 0 0 "[ . 1 . 2]" 1
345 1 22 VAL MG1 1 23 GLN HA . . 4.590 3.474 3.201 3.896 . 0 0 "[ . 1 . 2]" 1
346 1 22 VAL MG1 1 25 LYS H . . 4.510 4.100 3.910 4.381 . 0 0 "[ . 1 . 2]" 1
347 1 22 VAL MG1 1 39 VAL HA . . 3.640 2.168 1.882 2.569 . 0 0 "[ . 1 . 2]" 1
348 1 22 VAL MG1 1 39 VAL MG1 . . 3.270 1.875 1.701 2.176 . 0 0 "[ . 1 . 2]" 1
349 1 22 VAL MG1 1 42 ALA H . . 4.200 3.476 3.146 3.694 . 0 0 "[ . 1 . 2]" 1
350 1 22 VAL MG1 1 42 ALA HA . . 4.790 3.931 3.702 4.204 . 0 0 "[ . 1 . 2]" 1
351 1 22 VAL MG1 1 42 ALA MB . . 2.830 1.920 1.710 2.190 . 0 0 "[ . 1 . 2]" 1
352 1 22 VAL MG1 1 43 ILE H . . 4.150 3.323 2.894 3.796 . 0 0 "[ . 1 . 2]" 1
353 1 22 VAL MG1 1 43 ILE HA . . 4.000 2.633 2.179 3.515 . 0 0 "[ . 1 . 2]" 1
354 1 22 VAL MG1 1 43 ILE HG12 . . 4.660 3.532 2.989 4.325 . 0 0 "[ . 1 . 2]" 1
355 1 22 VAL MG1 1 43 ILE HG13 . . 3.750 3.162 2.731 3.705 . 0 0 "[ . 1 . 2]" 1
356 1 22 VAL MG1 1 46 CYS QB . . 3.940 3.209 2.505 3.870 . 0 0 "[ . 1 . 2]" 1
357 1 22 VAL MG2 1 23 GLN H . . 4.150 3.907 3.761 4.008 . 0 0 "[ . 1 . 2]" 1
358 1 22 VAL MG2 1 43 ILE H . . 4.560 4.428 4.100 4.559 . 0 0 "[ . 1 . 2]" 1
359 1 22 VAL MG2 1 43 ILE HA . . 3.690 2.444 2.250 2.588 . 0 0 "[ . 1 . 2]" 1
360 1 22 VAL MG2 1 43 ILE MD . . 4.710 4.312 4.122 4.471 . 0 0 "[ . 1 . 2]" 1
361 1 22 VAL MG2 1 43 ILE HG12 . . 3.760 3.081 2.789 3.367 . 0 0 "[ . 1 . 2]" 1
362 1 22 VAL MG2 1 43 ILE HG13 . . 4.050 3.779 3.485 3.985 . 0 0 "[ . 1 . 2]" 1
363 1 22 VAL MG2 1 43 ILE MG . . 4.370 3.964 3.761 4.311 . 0 0 "[ . 1 . 2]" 1
364 1 22 VAL MG2 1 46 CYS H . . 4.590 4.378 4.184 4.594 0.004 17 0 "[ . 1 . 2]" 1
365 1 22 VAL MG2 1 46 CYS HA . . 5.110 4.838 4.437 5.037 . 0 0 "[ . 1 . 2]" 1
366 1 22 VAL MG2 1 46 CYS HB2 . . 3.670 2.448 2.048 3.308 . 0 0 "[ . 1 . 2]" 1
367 1 22 VAL MG2 1 46 CYS HB3 . . 3.670 2.855 2.411 3.129 . 0 0 "[ . 1 . 2]" 1
368 1 23 GLN H 1 23 GLN HB2 . . 3.230 2.319 2.198 2.478 . 0 0 "[ . 1 . 2]" 1
369 1 23 GLN H 1 23 GLN HB3 . . 3.240 2.760 2.612 2.909 . 0 0 "[ . 1 . 2]" 1
370 1 23 GLN H 1 23 GLN HG2 . . 4.620 4.496 4.273 4.634 0.014 17 0 "[ . 1 . 2]" 1
371 1 23 GLN H 1 23 GLN QG . . 4.060 3.936 3.865 4.054 . 0 0 "[ . 1 . 2]" 1
372 1 23 GLN H 1 23 GLN HG3 . . 4.620 4.359 4.201 4.524 . 0 0 "[ . 1 . 2]" 1
373 1 23 GLN H 1 24 GLU H . . 3.480 2.693 2.414 2.854 . 0 0 "[ . 1 . 2]" 1
374 1 23 GLN H 1 24 GLU QB . . 4.910 4.623 4.424 4.761 . 0 0 "[ . 1 . 2]" 1
375 1 23 GLN H 1 26 ILE H . . 4.960 4.810 4.666 4.907 . 0 0 "[ . 1 . 2]" 1
376 1 23 GLN H 1 26 ILE MD . . 5.140 4.487 4.087 4.768 . 0 0 "[ . 1 . 2]" 1
377 1 23 GLN H 1 39 VAL MG1 . . 4.500 3.918 3.322 4.410 . 0 0 "[ . 1 . 2]" 1
378 1 23 GLN H 1 39 VAL MG2 . . 3.940 3.388 3.010 3.739 . 0 0 "[ . 1 . 2]" 1
379 1 23 GLN HA 1 23 GLN HG2 . . 4.020 2.914 2.265 3.745 . 0 0 "[ . 1 . 2]" 1
380 1 23 GLN HA 1 23 GLN QG . . 3.260 2.412 2.239 2.741 . 0 0 "[ . 1 . 2]" 1
381 1 23 GLN HA 1 23 GLN HG3 . . 4.020 2.768 2.359 3.597 . 0 0 "[ . 1 . 2]" 1
382 1 23 GLN HA 1 25 LYS H . . 4.360 3.550 3.483 3.660 . 0 0 "[ . 1 . 2]" 1
383 1 23 GLN HA 1 25 LYS HB2 . . 5.500 5.198 5.055 5.379 . 0 0 "[ . 1 . 2]" 1
384 1 23 GLN HA 1 26 ILE H . . 4.550 3.378 3.229 3.474 . 0 0 "[ . 1 . 2]" 1
385 1 23 GLN HA 1 26 ILE HB . . 4.110 3.315 3.017 3.474 . 0 0 "[ . 1 . 2]" 1
386 1 23 GLN HA 1 26 ILE MD . . 3.230 2.233 1.990 2.675 . 0 0 "[ . 1 . 2]" 1
387 1 23 GLN HA 1 26 ILE HG12 . . 4.580 4.512 4.309 4.585 0.005 17 0 "[ . 1 . 2]" 1
388 1 23 GLN HA 1 26 ILE QG . . 3.920 3.034 2.720 3.224 . 0 0 "[ . 1 . 2]" 1
389 1 23 GLN HA 1 26 ILE HG13 . . 4.580 3.084 2.749 3.295 . 0 0 "[ . 1 . 2]" 1
390 1 23 GLN HA 1 39 VAL MG2 . . 3.590 2.512 2.259 2.850 . 0 0 "[ . 1 . 2]" 1
391 1 23 GLN HB2 1 24 GLU H . . 3.940 3.727 3.518 3.803 . 0 0 "[ . 1 . 2]" 1
392 1 23 GLN HB2 1 39 VAL MG2 . . 4.020 2.934 2.707 3.274 . 0 0 "[ . 1 . 2]" 1
393 1 23 GLN HB3 1 23 GLN HE21 . . 4.820 3.545 2.039 4.442 . 0 0 "[ . 1 . 2]" 1
394 1 23 GLN HB3 1 23 GLN QE . . 4.200 3.342 2.024 4.079 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLN HB3 1 23 GLN HE22 . . 4.820 4.309 3.399 4.803 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLN HB3 1 24 GLU H . . 3.590 2.635 2.447 2.994 . 0 0 "[ . 1 . 2]" 1
397 1 23 GLN HB3 1 24 GLU HA . . 4.220 4.146 4.033 4.215 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLN HB3 1 39 VAL MG2 . . 4.630 4.231 4.013 4.511 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLN QG 1 24 GLU H . . 4.390 4.051 3.734 4.385 . 0 0 "[ . 1 . 2]" 1
400 1 23 GLN QG 1 24 GLU HA . . 5.100 4.268 3.858 4.937 . 0 0 "[ . 1 . 2]" 1
401 1 23 GLN QG 1 39 VAL MG2 . . 3.750 3.062 2.492 3.763 0.013 17 0 "[ . 1 . 2]" 1
402 1 23 GLN HG2 1 24 GLU H . . 5.250 4.442 4.012 4.784 . 0 0 "[ . 1 . 2]" 1
403 1 23 GLN HG3 1 24 GLU H . . 5.250 4.822 3.955 5.224 . 0 0 "[ . 1 . 2]" 1
404 1 24 GLU H 1 24 GLU QB . . 2.910 2.274 2.189 2.401 . 0 0 "[ . 1 . 2]" 1
405 1 24 GLU H 1 24 GLU HG2 . . 4.080 3.097 2.602 4.073 . 0 0 "[ . 1 . 2]" 1
406 1 24 GLU H 1 24 GLU HG3 . . 4.080 3.653 2.497 4.044 . 0 0 "[ . 1 . 2]" 1
407 1 24 GLU H 1 39 VAL MG2 . . 5.250 5.144 4.741 5.251 0.001 11 0 "[ . 1 . 2]" 1
408 1 24 GLU HA 1 24 GLU HG2 . . 3.720 2.839 2.467 3.560 . 0 0 "[ . 1 . 2]" 1
409 1 24 GLU HA 1 24 GLU QG . . 3.130 2.653 2.262 2.823 . 0 0 "[ . 1 . 2]" 1
410 1 24 GLU HA 1 24 GLU HG3 . . 3.720 3.427 2.288 3.720 . 0 0 "[ . 1 . 2]" 1
411 1 24 GLU HA 1 26 ILE HB . . 5.060 4.897 4.756 5.010 . 0 0 "[ . 1 . 2]" 1
412 1 24 GLU QB 1 25 LYS H . . 3.650 3.497 3.403 3.577 . 0 0 "[ . 1 . 2]" 1
413 1 24 GLU QB 1 25 LYS QG . . 4.570 3.294 3.196 3.447 . 0 0 "[ . 1 . 2]" 1
414 1 24 GLU QB 1 61 TYR QE . . 3.830 3.516 3.113 3.827 . 0 0 "[ . 1 . 2]" 1
415 1 24 GLU QG 1 61 TYR QE . . 4.110 3.551 3.019 4.076 . 0 0 "[ . 1 . 2]" 1
416 1 24 GLU HG2 1 61 TYR QE . . 4.870 4.405 3.560 4.855 . 0 0 "[ . 1 . 2]" 1
417 1 24 GLU HG3 1 61 TYR QE . . 4.870 3.811 3.079 4.869 . 0 0 "[ . 1 . 2]" 1
418 1 25 LYS H 1 25 LYS HB2 . . 3.010 2.525 2.424 2.563 . 0 0 "[ . 1 . 2]" 1
419 1 25 LYS H 1 25 LYS HB3 . . 3.730 3.708 3.638 3.729 . 0 0 "[ . 1 . 2]" 1
420 1 25 LYS H 1 25 LYS QD . . 4.440 4.393 4.338 4.439 . 0 0 "[ . 1 . 2]" 1
421 1 25 LYS H 1 25 LYS HG2 . . 4.130 3.130 2.997 3.221 . 0 0 "[ . 1 . 2]" 1
422 1 25 LYS H 1 25 LYS QG . . 3.300 3.031 2.908 3.109 . 0 0 "[ . 1 . 2]" 1
423 1 25 LYS H 1 25 LYS HG3 . . 4.130 4.052 3.912 4.129 . 0 0 "[ . 1 . 2]" 1
424 1 25 LYS H 1 26 ILE H . . 3.080 1.871 1.812 1.970 . 0 0 "[ . 1 . 2]" 1
425 1 25 LYS H 1 26 ILE HA . . 5.220 4.461 4.417 4.551 . 0 0 "[ . 1 . 2]" 1
426 1 25 LYS H 1 26 ILE HB . . 4.590 3.837 3.766 3.964 . 0 0 "[ . 1 . 2]" 1
427 1 25 LYS H 1 26 ILE MG . . 5.310 5.115 5.056 5.219 . 0 0 "[ . 1 . 2]" 1
428 1 25 LYS H 1 27 PRO QD . . 4.920 3.119 3.014 3.270 . 0 0 "[ . 1 . 2]" 1
429 1 25 LYS HA 1 25 LYS QD . . 3.180 2.293 2.210 2.392 . 0 0 "[ . 1 . 2]" 1
430 1 25 LYS HA 1 25 LYS QE . . 4.910 4.139 3.803 4.351 . 0 0 "[ . 1 . 2]" 1
431 1 25 LYS HA 1 25 LYS QG . . 3.670 2.639 2.596 2.696 . 0 0 "[ . 1 . 2]" 1
432 1 25 LYS HA 1 28 GLU H . . 3.570 3.035 2.984 3.103 . 0 0 "[ . 1 . 2]" 1
433 1 25 LYS HA 1 28 GLU QB . . 3.210 2.123 2.018 2.205 . 0 0 "[ . 1 . 2]" 1
434 1 25 LYS HA 1 28 GLU QG . . 4.560 3.798 3.447 4.130 . 0 0 "[ . 1 . 2]" 1
435 1 25 LYS HA 1 29 LEU H . . 4.400 4.153 4.015 4.331 . 0 0 "[ . 1 . 2]" 1
436 1 25 LYS HB2 1 25 LYS QD . . 3.660 3.290 3.244 3.446 . 0 0 "[ . 1 . 2]" 1
437 1 25 LYS HB2 1 25 LYS QE . . 4.650 4.191 3.275 4.447 . 0 0 "[ . 1 . 2]" 1
438 1 25 LYS HB2 1 26 ILE H . . 3.970 3.090 2.922 3.274 . 0 0 "[ . 1 . 2]" 1
439 1 25 LYS HB2 1 26 ILE HA . . 5.500 4.411 4.325 4.552 . 0 0 "[ . 1 . 2]" 1
440 1 25 LYS HB2 1 29 LEU MD1 . . 4.070 3.640 3.259 3.928 . 0 0 "[ . 1 . 2]" 1
441 1 25 LYS HB3 1 25 LYS QD . . 3.760 2.279 2.141 2.498 . 0 0 "[ . 1 . 2]" 1
442 1 25 LYS HB3 1 25 LYS HE2 . . 4.950 4.337 3.631 4.644 . 0 0 "[ . 1 . 2]" 1
443 1 25 LYS HB3 1 25 LYS QE . . 4.190 3.742 2.179 4.057 . 0 0 "[ . 1 . 2]" 1
444 1 25 LYS HB3 1 25 LYS HE3 . . 4.950 4.171 2.196 4.667 . 0 0 "[ . 1 . 2]" 1
445 1 25 LYS HB3 1 26 ILE H . . 4.620 3.904 3.815 3.998 . 0 0 "[ . 1 . 2]" 1
446 1 25 LYS HB3 1 29 LEU MD1 . . 4.260 2.980 2.558 3.267 . 0 0 "[ . 1 . 2]" 1
447 1 25 LYS QD 1 28 GLU H . . 4.740 4.632 4.491 4.743 0.003 16 0 "[ . 1 . 2]" 1
448 1 25 LYS QD 1 28 GLU QB . . 4.310 2.595 2.481 2.779 . 0 0 "[ . 1 . 2]" 1
449 1 25 LYS QD 1 28 GLU QG . . 4.320 2.931 2.370 3.562 . 0 0 "[ . 1 . 2]" 1
450 1 25 LYS QD 1 29 LEU MD1 . . 4.880 4.299 3.835 4.545 . 0 0 "[ . 1 . 2]" 1
451 1 25 LYS QD 1 29 LEU MD2 . . 4.310 3.901 3.667 4.230 . 0 0 "[ . 1 . 2]" 1
452 1 25 LYS QE 1 25 LYS QG . . 3.330 2.197 2.064 2.322 . 0 0 "[ . 1 . 2]" 1
453 1 26 ILE H 1 26 ILE HB . . 3.060 2.297 2.250 2.340 . 0 0 "[ . 1 . 2]" 1
454 1 26 ILE H 1 26 ILE MD . . 3.840 3.624 3.460 3.812 . 0 0 "[ . 1 . 2]" 1
455 1 26 ILE H 1 26 ILE HG12 . . 4.140 3.965 3.829 4.073 . 0 0 "[ . 1 . 2]" 1
456 1 26 ILE H 1 26 ILE QG . . 3.450 2.665 2.616 2.748 . 0 0 "[ . 1 . 2]" 1
457 1 26 ILE H 1 26 ILE HG13 . . 4.140 2.708 2.663 2.795 . 0 0 "[ . 1 . 2]" 1
458 1 26 ILE H 1 26 ILE MG . . 3.810 3.678 3.644 3.704 . 0 0 "[ . 1 . 2]" 1
459 1 26 ILE H 1 27 PRO HD2 . . 3.670 2.298 2.175 2.399 . 0 0 "[ . 1 . 2]" 1
460 1 26 ILE H 1 27 PRO HD3 . . 3.670 3.299 3.188 3.396 . 0 0 "[ . 1 . 2]" 1
461 1 26 ILE H 1 27 PRO HG2 . . 4.630 4.528 4.410 4.624 . 0 0 "[ . 1 . 2]" 1
462 1 26 ILE H 1 42 ALA MB . . 4.330 3.875 3.688 4.123 . 0 0 "[ . 1 . 2]" 1
463 1 26 ILE HA 1 26 ILE MD . . 3.890 3.735 3.722 3.741 . 0 0 "[ . 1 . 2]" 1
464 1 26 ILE HA 1 26 ILE HG12 . . 3.510 2.510 2.358 2.666 . 0 0 "[ . 1 . 2]" 1
465 1 26 ILE HA 1 26 ILE HG13 . . 3.510 2.488 2.346 2.650 . 0 0 "[ . 1 . 2]" 1
466 1 26 ILE HA 1 26 ILE MG . . 3.330 2.671 2.654 2.689 . 0 0 "[ . 1 . 2]" 1
467 1 26 ILE HA 1 28 GLU H . . 4.610 4.232 4.172 4.313 . 0 0 "[ . 1 . 2]" 1
468 1 26 ILE HA 1 29 LEU H . . 3.960 3.890 3.868 3.931 . 0 0 "[ . 1 . 2]" 1
469 1 26 ILE HA 1 29 LEU HB2 . . 3.730 3.649 3.604 3.733 0.003 11 0 "[ . 1 . 2]" 1
470 1 26 ILE HA 1 29 LEU HB3 . . 5.340 5.324 5.256 5.345 0.005 10 0 "[ . 1 . 2]" 1
471 1 26 ILE HA 1 29 LEU MD1 . . 3.670 3.244 2.701 3.668 . 0 0 "[ . 1 . 2]" 1
472 1 26 ILE HA 1 29 LEU HG . . 4.540 4.348 3.933 4.475 . 0 0 "[ . 1 . 2]" 1
473 1 26 ILE HA 1 30 ARG H . . 4.590 4.473 4.271 4.581 . 0 0 "[ . 1 . 2]" 1
474 1 26 ILE HA 1 36 VAL HB . . 3.790 3.569 3.413 3.794 0.004 17 0 "[ . 1 . 2]" 1
475 1 26 ILE HA 1 36 VAL MG1 . . 4.260 3.973 3.752 4.259 . 0 0 "[ . 1 . 2]" 1
476 1 26 ILE HA 1 36 VAL MG2 . . 3.960 3.528 3.326 3.740 . 0 0 "[ . 1 . 2]" 1
477 1 26 ILE HA 1 42 ALA MB . . 3.960 2.613 2.385 2.831 . 0 0 "[ . 1 . 2]" 1
478 1 26 ILE HB 1 26 ILE MD . . 3.380 2.327 2.167 2.395 . 0 0 "[ . 1 . 2]" 1
479 1 26 ILE HB 1 27 PRO HD2 . . 3.360 2.506 2.495 2.519 . 0 0 "[ . 1 . 2]" 1
480 1 26 ILE HB 1 27 PRO QD . . 2.900 1.881 1.879 1.884 . 0 0 "[ . 1 . 2]" 1
481 1 26 ILE HB 1 27 PRO HD3 . . 3.360 1.944 1.941 1.946 . 0 0 "[ . 1 . 2]" 1
482 1 26 ILE MD 1 26 ILE MG . . 2.920 2.045 1.934 2.348 . 0 0 "[ . 1 . 2]" 1
483 1 26 ILE MD 1 38 ARG H . . 4.570 4.355 3.974 4.571 0.001 19 0 "[ . 1 . 2]" 1
484 1 26 ILE MD 1 38 ARG HA . . 4.390 2.318 1.974 2.698 . 0 0 "[ . 1 . 2]" 1
485 1 26 ILE MD 1 39 VAL HA . . 3.300 2.510 2.190 2.766 . 0 0 "[ . 1 . 2]" 1
486 1 26 ILE MD 1 42 ALA MB . . 3.740 3.558 3.301 3.736 . 0 0 "[ . 1 . 2]" 1
487 1 26 ILE QG 1 26 ILE MG . . 3.260 2.284 2.205 2.372 . 0 0 "[ . 1 . 2]" 1
488 1 26 ILE QG 1 39 VAL MG2 . . 4.370 3.011 2.727 3.254 . 0 0 "[ . 1 . 2]" 1
489 1 26 ILE QG 1 42 ALA H . . 4.090 3.789 3.581 3.944 . 0 0 "[ . 1 . 2]" 1
490 1 26 ILE QG 1 42 ALA MB . . 3.480 2.393 2.112 2.593 . 0 0 "[ . 1 . 2]" 1
491 1 26 ILE HG12 1 42 ALA MB . . 4.100 2.795 2.266 3.027 . 0 0 "[ . 1 . 2]" 1
492 1 26 ILE HG13 1 42 ALA MB . . 4.100 2.618 2.290 2.885 . 0 0 "[ . 1 . 2]" 1
493 1 26 ILE MG 1 27 PRO HA . . 3.920 2.897 2.839 2.959 . 0 0 "[ . 1 . 2]" 1
494 1 26 ILE MG 1 27 PRO HB3 . . 4.720 3.209 3.171 3.254 . 0 0 "[ . 1 . 2]" 1
495 1 26 ILE MG 1 27 PRO HD2 . . 4.100 3.193 3.158 3.230 . 0 0 "[ . 1 . 2]" 1
496 1 26 ILE MG 1 27 PRO QD . . 3.350 1.949 1.946 1.953 . 0 0 "[ . 1 . 2]" 1
497 1 26 ILE MG 1 27 PRO HD3 . . 4.100 1.967 1.964 1.969 . 0 0 "[ . 1 . 2]" 1
498 1 26 ILE MG 1 28 GLU H . . 4.340 4.246 4.202 4.316 . 0 0 "[ . 1 . 2]" 1
499 1 26 ILE MG 1 29 LEU H . . 5.020 4.735 4.547 4.841 . 0 0 "[ . 1 . 2]" 1
500 1 26 ILE MG 1 30 ARG H . . 4.610 4.279 4.132 4.364 . 0 0 "[ . 1 . 2]" 1
501 1 26 ILE MG 1 30 ARG HD2 . . 4.300 2.717 2.184 3.034 . 0 0 "[ . 1 . 2]" 1
502 1 26 ILE MG 1 30 ARG QD . . 3.480 2.564 2.132 2.929 . 0 0 "[ . 1 . 2]" 1
503 1 26 ILE MG 1 30 ARG HD3 . . 4.300 3.289 2.645 4.218 . 0 0 "[ . 1 . 2]" 1
504 1 26 ILE MG 1 37 ALA HA . . 4.540 4.403 4.022 4.540 . 0 0 "[ . 1 . 2]" 1
505 1 26 ILE MG 1 38 ARG H . . 5.090 4.775 4.495 4.988 . 0 0 "[ . 1 . 2]" 1
506 1 26 ILE MG 1 42 ALA MB . . 4.190 3.977 3.656 4.185 . 0 0 "[ . 1 . 2]" 1
507 1 27 PRO HA 1 29 LEU H . . 4.560 4.285 3.945 4.454 . 0 0 "[ . 1 . 2]" 1
508 1 27 PRO HA 1 30 ARG H . . 4.050 3.472 3.354 3.593 . 0 0 "[ . 1 . 2]" 1
509 1 27 PRO HA 1 30 ARG HB2 . . 3.650 2.496 2.365 2.690 . 0 0 "[ . 1 . 2]" 1
510 1 27 PRO HA 1 30 ARG HB3 . . 4.330 4.023 3.878 4.198 . 0 0 "[ . 1 . 2]" 1
511 1 27 PRO HA 1 30 ARG HD2 . . 4.490 3.520 2.685 3.928 . 0 0 "[ . 1 . 2]" 1
512 1 27 PRO HA 1 30 ARG QD . . 3.900 2.370 2.032 2.952 . 0 0 "[ . 1 . 2]" 1
513 1 27 PRO HA 1 30 ARG HD3 . . 4.490 2.524 2.041 3.725 . 0 0 "[ . 1 . 2]" 1
514 1 27 PRO HA 1 30 ARG QG . . 4.570 3.353 2.652 3.712 . 0 0 "[ . 1 . 2]" 1
515 1 27 PRO HA 1 31 ARG H . . 4.710 4.414 4.176 4.709 . 0 0 "[ . 1 . 2]" 1
516 1 27 PRO HB2 1 28 GLU H . . 3.630 3.525 3.460 3.567 . 0 0 "[ . 1 . 2]" 1
517 1 27 PRO HB3 1 28 GLU H . . 4.280 4.252 4.215 4.278 . 0 0 "[ . 1 . 2]" 1
518 1 27 PRO QD 1 28 GLU H . . 3.540 2.633 2.616 2.647 . 0 0 "[ . 1 . 2]" 1
519 1 27 PRO HD2 1 28 GLU H . . 4.300 2.680 2.661 2.695 . 0 0 "[ . 1 . 2]" 1
520 1 27 PRO HD3 1 28 GLU H . . 4.300 3.859 3.849 3.868 . 0 0 "[ . 1 . 2]" 1
521 1 27 PRO HG2 1 28 GLU H . . 3.130 2.622 2.532 2.684 . 0 0 "[ . 1 . 2]" 1
522 1 27 PRO HG2 1 28 GLU HA . . 4.260 4.253 4.234 4.262 0.002 17 0 "[ . 1 . 2]" 1
523 1 28 GLU H 1 28 GLU QB . . 2.940 2.249 2.232 2.264 . 0 0 "[ . 1 . 2]" 1
524 1 28 GLU H 1 28 GLU QG . . 4.050 3.982 3.941 4.044 . 0 0 "[ . 1 . 2]" 1
525 1 28 GLU H 1 29 LEU H . . 3.140 2.534 2.499 2.588 . 0 0 "[ . 1 . 2]" 1
526 1 28 GLU H 1 29 LEU HG . . 4.490 4.387 4.047 4.491 0.001 17 0 "[ . 1 . 2]" 1
527 1 28 GLU H 1 30 ARG H . . 4.360 4.041 3.909 4.193 . 0 0 "[ . 1 . 2]" 1
528 1 28 GLU HA 1 28 GLU QG . . 3.180 2.653 2.261 3.084 . 0 0 "[ . 1 . 2]" 1
529 1 28 GLU HA 1 30 ARG H . . 4.890 4.654 4.446 4.840 . 0 0 "[ . 1 . 2]" 1
530 1 28 GLU HA 1 31 ARG H . . 4.250 4.025 3.833 4.166 . 0 0 "[ . 1 . 2]" 1
531 1 28 GLU QB 1 29 LEU H . . 3.440 2.677 2.539 2.953 . 0 0 "[ . 1 . 2]" 1
532 1 28 GLU QG 1 29 LEU H . . 4.080 3.720 3.471 3.981 . 0 0 "[ . 1 . 2]" 1
533 1 28 GLU QG 1 29 LEU MD2 . . 4.270 3.696 3.241 4.140 . 0 0 "[ . 1 . 2]" 1
534 1 28 GLU QG 1 32 ARG QD . . 4.460 3.859 3.143 4.342 . 0 0 "[ . 1 . 2]" 1
535 1 29 LEU H 1 29 LEU HB2 . . 3.230 2.428 2.365 2.533 . 0 0 "[ . 1 . 2]" 1
536 1 29 LEU H 1 29 LEU HB3 . . 3.640 3.599 3.583 3.636 . 0 0 "[ . 1 . 2]" 1
537 1 29 LEU H 1 29 LEU MD1 . . 3.970 3.541 3.367 3.728 . 0 0 "[ . 1 . 2]" 1
538 1 29 LEU H 1 29 LEU MD2 . . 4.010 3.670 3.489 3.849 . 0 0 "[ . 1 . 2]" 1
539 1 29 LEU H 1 29 LEU HG . . 3.030 2.466 2.268 2.646 . 0 0 "[ . 1 . 2]" 1
540 1 29 LEU H 1 30 ARG H . . 3.330 2.466 2.318 2.530 . 0 0 "[ . 1 . 2]" 1
541 1 29 LEU H 1 34 LEU MD1 . . 5.500 5.491 5.448 5.503 0.003 16 0 "[ . 1 . 2]" 1
542 1 29 LEU H 1 36 VAL MG2 . . 4.560 3.698 3.552 3.849 . 0 0 "[ . 1 . 2]" 1
543 1 29 LEU HA 1 29 LEU MD1 . . 4.430 3.903 3.865 3.945 . 0 0 "[ . 1 . 2]" 1
544 1 29 LEU HA 1 29 LEU MD2 . . 3.080 2.131 1.975 2.316 . 0 0 "[ . 1 . 2]" 1
545 1 29 LEU HA 1 29 LEU HG . . 3.850 2.978 2.867 3.086 . 0 0 "[ . 1 . 2]" 1
546 1 29 LEU HA 1 32 ARG H . . 4.080 3.095 2.960 3.245 . 0 0 "[ . 1 . 2]" 1
547 1 29 LEU HA 1 32 ARG HB2 . . 4.400 2.368 2.123 2.729 . 0 0 "[ . 1 . 2]" 1
548 1 29 LEU HA 1 32 ARG HB3 . . 4.430 3.936 3.669 4.280 . 0 0 "[ . 1 . 2]" 1
549 1 29 LEU HA 1 32 ARG QD . . 4.130 3.134 2.259 4.050 . 0 0 "[ . 1 . 2]" 1
550 1 29 LEU HA 1 32 ARG QG . . 3.710 2.628 2.333 2.874 . 0 0 "[ . 1 . 2]" 1
551 1 29 LEU HA 1 34 LEU HB2 . . 4.550 4.248 4.084 4.445 . 0 0 "[ . 1 . 2]" 1
552 1 29 LEU HA 1 34 LEU MD1 . . 3.830 3.565 3.444 3.789 . 0 0 "[ . 1 . 2]" 1
553 1 29 LEU HA 1 34 LEU HG . . 5.500 5.005 4.902 5.139 . 0 0 "[ . 1 . 2]" 1
554 1 29 LEU HA 1 36 VAL MG2 . . 4.590 4.204 4.050 4.442 . 0 0 "[ . 1 . 2]" 1
555 1 29 LEU HB2 1 29 LEU MD1 . . 3.450 2.175 2.025 2.350 . 0 0 "[ . 1 . 2]" 1
556 1 29 LEU HB2 1 29 LEU MD2 . . 3.610 3.174 3.155 3.190 . 0 0 "[ . 1 . 2]" 1
557 1 29 LEU HB2 1 30 ARG H . . 3.120 2.592 2.441 2.726 . 0 0 "[ . 1 . 2]" 1
558 1 29 LEU HB2 1 34 LEU HB2 . . 4.650 3.921 3.786 4.018 . 0 0 "[ . 1 . 2]" 1
559 1 29 LEU HB2 1 34 LEU MD1 . . 4.160 4.114 3.936 4.162 0.002 5 0 "[ . 1 . 2]" 1
560 1 29 LEU HB2 1 36 VAL MG1 . . 4.120 2.863 2.680 3.250 . 0 0 "[ . 1 . 2]" 1
561 1 29 LEU HB2 1 36 VAL MG2 . . 3.420 2.052 1.933 2.190 . 0 0 "[ . 1 . 2]" 1
562 1 29 LEU HB3 1 29 LEU MD2 . . 3.350 2.286 2.210 2.360 . 0 0 "[ . 1 . 2]" 1
563 1 29 LEU HB3 1 30 ARG H . . 3.900 3.614 3.469 3.810 . 0 0 "[ . 1 . 2]" 1
564 1 29 LEU HB3 1 34 LEU H . . 4.620 4.195 4.000 4.477 . 0 0 "[ . 1 . 2]" 1
565 1 29 LEU HB3 1 34 LEU HB2 . . 4.250 2.500 2.338 2.708 . 0 0 "[ . 1 . 2]" 1
566 1 29 LEU HB3 1 34 LEU MD1 . . 3.640 2.608 2.422 2.735 . 0 0 "[ . 1 . 2]" 1
567 1 29 LEU HB3 1 36 VAL MG2 . . 3.280 2.696 2.510 2.880 . 0 0 "[ . 1 . 2]" 1
568 1 29 LEU MD1 1 34 LEU HB2 . . 5.170 3.987 3.681 4.327 . 0 0 "[ . 1 . 2]" 1
569 1 29 LEU MD1 1 34 LEU MD1 . . 4.330 3.192 2.983 3.563 . 0 0 "[ . 1 . 2]" 1
570 1 29 LEU MD1 1 42 ALA HA . . 4.030 2.780 2.612 3.131 . 0 0 "[ . 1 . 2]" 1
571 1 29 LEU MD1 1 42 ALA MB . . 2.860 2.008 1.777 2.292 . 0 0 "[ . 1 . 2]" 1
572 1 29 LEU MD1 1 45 TYR H . . 4.810 4.339 4.009 4.809 . 0 0 "[ . 1 . 2]" 1
573 1 29 LEU MD1 1 45 TYR HB2 . . 3.780 2.245 1.961 2.691 . 0 0 "[ . 1 . 2]" 1
574 1 29 LEU MD1 1 45 TYR HB3 . . 4.000 2.526 1.993 3.046 . 0 0 "[ . 1 . 2]" 1
575 1 29 LEU MD1 1 45 TYR QD . . 4.370 3.118 2.860 3.484 . 0 0 "[ . 1 . 2]" 1
576 1 29 LEU MD1 1 46 CYS H . . 5.020 4.307 3.993 4.920 . 0 0 "[ . 1 . 2]" 1
577 1 29 LEU MD2 1 32 ARG H . . 5.040 4.699 4.520 4.901 . 0 0 "[ . 1 . 2]" 1
578 1 29 LEU MD2 1 32 ARG HD2 . . 4.680 3.163 2.140 4.496 . 0 0 "[ . 1 . 2]" 1
579 1 29 LEU MD2 1 32 ARG QD . . 3.910 2.536 1.951 3.748 . 0 0 "[ . 1 . 2]" 1
580 1 29 LEU MD2 1 32 ARG HD3 . . 4.680 3.166 1.987 4.386 . 0 0 "[ . 1 . 2]" 1
581 1 29 LEU MD2 1 34 LEU HB2 . . 4.710 3.659 3.473 4.044 . 0 0 "[ . 1 . 2]" 1
582 1 29 LEU MD2 1 34 LEU MD1 . . 2.990 2.120 1.962 2.504 . 0 0 "[ . 1 . 2]" 1
583 1 29 LEU MD2 1 45 TYR HB2 . . 3.940 3.579 3.171 3.868 . 0 0 "[ . 1 . 2]" 1
584 1 29 LEU MD2 1 45 TYR HB3 . . 3.800 2.799 2.422 3.214 . 0 0 "[ . 1 . 2]" 1
585 1 29 LEU MD2 1 45 TYR QD . . 4.580 4.376 3.994 4.578 . 0 0 "[ . 1 . 2]" 1
586 1 29 LEU HG 1 34 LEU MD1 . . 4.910 4.403 4.274 4.651 . 0 0 "[ . 1 . 2]" 1
587 1 30 ARG H 1 30 ARG HB2 . . 2.980 2.349 2.233 2.508 . 0 0 "[ . 1 . 2]" 1
588 1 30 ARG H 1 30 ARG HB3 . . 3.950 3.566 3.522 3.599 . 0 0 "[ . 1 . 2]" 1
589 1 30 ARG H 1 30 ARG HD2 . . 4.690 4.530 4.008 4.689 . 0 0 "[ . 1 . 2]" 1
590 1 30 ARG H 1 30 ARG HD3 . . 4.690 4.120 3.749 4.647 . 0 0 "[ . 1 . 2]" 1
591 1 30 ARG H 1 30 ARG HG2 . . 4.070 3.708 3.135 3.974 . 0 0 "[ . 1 . 2]" 1
592 1 30 ARG H 1 30 ARG QG . . 3.520 2.488 2.269 2.709 . 0 0 "[ . 1 . 2]" 1
593 1 30 ARG H 1 30 ARG HG3 . . 4.070 2.529 2.302 2.757 . 0 0 "[ . 1 . 2]" 1
594 1 30 ARG H 1 31 ARG H . . 3.300 2.878 2.722 3.008 . 0 0 "[ . 1 . 2]" 1
595 1 30 ARG H 1 32 ARG H . . 4.330 4.192 3.998 4.314 . 0 0 "[ . 1 . 2]" 1
596 1 30 ARG H 1 34 LEU H . . 5.370 5.023 4.888 5.196 . 0 0 "[ . 1 . 2]" 1
597 1 30 ARG H 1 36 VAL MG2 . . 3.560 2.529 2.329 2.821 . 0 0 "[ . 1 . 2]" 1
598 1 30 ARG HA 1 30 ARG HD2 . . 4.870 4.707 4.578 4.796 . 0 0 "[ . 1 . 2]" 1
599 1 30 ARG HA 1 30 ARG QD . . 4.220 4.092 3.994 4.166 . 0 0 "[ . 1 . 2]" 1
600 1 30 ARG HA 1 30 ARG HD3 . . 4.870 4.498 4.366 4.623 . 0 0 "[ . 1 . 2]" 1
601 1 30 ARG HA 1 30 ARG HG2 . . 3.760 2.486 2.345 2.594 . 0 0 "[ . 1 . 2]" 1
602 1 30 ARG HA 1 30 ARG QG . . 3.200 2.318 2.273 2.397 . 0 0 "[ . 1 . 2]" 1
603 1 30 ARG HA 1 30 ARG HG3 . . 3.760 2.813 2.590 3.234 . 0 0 "[ . 1 . 2]" 1
604 1 30 ARG HA 1 33 GLY H . . 4.530 3.790 3.577 3.917 . 0 0 "[ . 1 . 2]" 1
605 1 30 ARG HA 1 34 LEU H . . 3.380 3.249 2.995 3.375 . 0 0 "[ . 1 . 2]" 1
606 1 30 ARG HA 1 36 VAL H . . 4.910 3.898 3.644 4.310 . 0 0 "[ . 1 . 2]" 1
607 1 30 ARG HA 1 36 VAL MG2 . . 3.890 2.493 2.283 2.970 . 0 0 "[ . 1 . 2]" 1
608 1 30 ARG HB2 1 30 ARG QD . . 3.230 2.351 2.183 2.556 . 0 0 "[ . 1 . 2]" 1
609 1 30 ARG HB2 1 31 ARG H . . 3.280 2.743 2.554 3.048 . 0 0 "[ . 1 . 2]" 1
610 1 30 ARG HB3 1 30 ARG QD . . 3.410 2.726 2.326 3.015 . 0 0 "[ . 1 . 2]" 1
611 1 30 ARG HB3 1 31 ARG H . . 4.280 3.408 3.207 3.617 . 0 0 "[ . 1 . 2]" 1
612 1 30 ARG HB3 1 36 VAL MG2 . . 4.530 3.935 3.604 4.390 . 0 0 "[ . 1 . 2]" 1
613 1 30 ARG QD 1 37 ALA HA . . 4.770 3.937 3.602 4.719 . 0 0 "[ . 1 . 2]" 1
614 1 30 ARG HD2 1 36 VAL MG2 . . 4.960 3.615 3.395 3.839 . 0 0 "[ . 1 . 2]" 1
615 1 30 ARG HD3 1 36 VAL MG2 . . 4.960 4.174 3.804 4.529 . 0 0 "[ . 1 . 2]" 1
616 1 30 ARG QG 1 36 VAL H . . 3.980 3.327 2.974 3.546 . 0 0 "[ . 1 . 2]" 1
617 1 30 ARG QG 1 36 VAL MG2 . . 3.020 1.860 1.710 2.066 . 0 0 "[ . 1 . 2]" 1
618 1 30 ARG HG2 1 36 VAL MG2 . . 3.570 2.320 1.943 3.008 . 0 0 "[ . 1 . 2]" 1
619 1 30 ARG HG3 1 36 VAL MG2 . . 3.570 2.020 1.790 2.530 . 0 0 "[ . 1 . 2]" 1
620 1 31 ARG H 1 31 ARG QB . . 2.870 2.421 2.183 2.775 . 0 0 "[ . 1 . 2]" 1
621 1 31 ARG H 1 31 ARG QD . . 4.360 4.011 3.396 4.327 . 0 0 "[ . 1 . 2]" 1
622 1 31 ARG H 1 31 ARG HG2 . . 3.950 2.810 1.901 3.935 . 0 0 "[ . 1 . 2]" 1
623 1 31 ARG H 1 31 ARG QG . . 3.120 2.350 1.861 2.828 . 0 0 "[ . 1 . 2]" 1
624 1 31 ARG H 1 31 ARG HG3 . . 3.950 2.972 2.330 3.729 . 0 0 "[ . 1 . 2]" 1
625 1 31 ARG H 1 32 ARG H . . 3.200 2.524 2.359 2.679 . 0 0 "[ . 1 . 2]" 1
626 1 31 ARG H 1 36 VAL MG2 . . 5.000 4.695 4.531 4.980 . 0 0 "[ . 1 . 2]" 1
627 1 31 ARG HA 1 31 ARG QD . . 4.470 3.752 2.144 4.430 . 0 0 "[ . 1 . 2]" 1
628 1 31 ARG HA 1 31 ARG HG2 . . 4.000 2.979 2.249 3.898 . 0 0 "[ . 1 . 2]" 1
629 1 31 ARG HA 1 31 ARG QG . . 3.470 2.760 2.192 3.344 . 0 0 "[ . 1 . 2]" 1
630 1 31 ARG HA 1 31 ARG HG3 . . 4.000 3.451 2.659 3.808 . 0 0 "[ . 1 . 2]" 1
631 1 31 ARG HA 1 33 GLY H . . 4.350 4.292 4.179 4.357 0.007 14 0 "[ . 1 . 2]" 1
632 1 31 ARG QB 1 31 ARG QD . . 3.200 2.211 2.059 2.607 . 0 0 "[ . 1 . 2]" 1
633 1 31 ARG QB 1 32 ARG H . . 4.200 2.933 2.556 3.557 . 0 0 "[ . 1 . 2]" 1
634 1 31 ARG QG 1 32 ARG H . . 4.330 3.486 2.137 4.329 . 0 0 "[ . 1 . 2]" 1
635 1 32 ARG H 1 32 ARG HB2 . . 3.060 2.313 2.252 2.456 . 0 0 "[ . 1 . 2]" 1
636 1 32 ARG H 1 32 ARG HB3 . . 3.760 3.552 3.529 3.584 . 0 0 "[ . 1 . 2]" 1
637 1 32 ARG H 1 32 ARG HD2 . . 5.500 4.817 4.418 5.122 . 0 0 "[ . 1 . 2]" 1
638 1 32 ARG H 1 32 ARG HD3 . . 5.500 4.772 4.122 5.190 . 0 0 "[ . 1 . 2]" 1
639 1 32 ARG H 1 32 ARG HG2 . . 3.560 3.405 3.225 3.527 . 0 0 "[ . 1 . 2]" 1
640 1 32 ARG H 1 32 ARG QG . . 3.120 2.595 2.240 2.720 . 0 0 "[ . 1 . 2]" 1
641 1 32 ARG H 1 32 ARG HG3 . . 3.560 2.694 2.269 2.841 . 0 0 "[ . 1 . 2]" 1
642 1 32 ARG H 1 33 GLY H . . 3.270 2.752 2.641 2.844 . 0 0 "[ . 1 . 2]" 1
643 1 32 ARG H 1 33 GLY QA . . 5.030 4.585 4.508 4.636 . 0 0 "[ . 1 . 2]" 1
644 1 32 ARG H 1 34 LEU HB2 . . 5.500 5.462 5.327 5.503 0.003 14 0 "[ . 1 . 2]" 1
645 1 32 ARG H 1 34 LEU MD1 . . 5.440 5.204 4.969 5.414 . 0 0 "[ . 1 . 2]" 1
646 1 32 ARG HA 1 32 ARG HD2 . . 5.450 4.552 3.851 4.823 . 0 0 "[ . 1 . 2]" 1
647 1 32 ARG HA 1 32 ARG QD . . 4.750 3.902 3.657 4.150 . 0 0 "[ . 1 . 2]" 1
648 1 32 ARG HA 1 32 ARG HD3 . . 5.450 4.280 3.863 4.578 . 0 0 "[ . 1 . 2]" 1
649 1 32 ARG HA 1 32 ARG HG2 . . 3.710 2.249 2.185 2.491 . 0 0 "[ . 1 . 2]" 1
650 1 32 ARG HA 1 32 ARG QG . . 2.980 2.205 2.149 2.377 . 0 0 "[ . 1 . 2]" 1
651 1 32 ARG HA 1 32 ARG HG3 . . 3.710 3.197 3.005 3.299 . 0 0 "[ . 1 . 2]" 1
652 1 32 ARG HB2 1 33 GLY H . . 4.200 2.706 2.553 2.781 . 0 0 "[ . 1 . 2]" 1
653 1 32 ARG HB2 1 34 LEU H . . 4.260 3.863 3.421 4.035 . 0 0 "[ . 1 . 2]" 1
654 1 32 ARG HB2 1 34 LEU MD1 . . 3.930 3.350 3.063 3.635 . 0 0 "[ . 1 . 2]" 1
655 1 32 ARG HB2 1 34 LEU HG . . 4.710 3.713 3.467 4.010 . 0 0 "[ . 1 . 2]" 1
656 1 32 ARG HB3 1 32 ARG HD2 . . 4.150 3.200 2.367 3.744 . 0 0 "[ . 1 . 2]" 1
657 1 32 ARG HB3 1 32 ARG QD . . 3.590 2.385 2.138 2.682 . 0 0 "[ . 1 . 2]" 1
658 1 32 ARG HB3 1 32 ARG HD3 . . 4.150 2.540 2.177 3.563 . 0 0 "[ . 1 . 2]" 1
659 1 32 ARG HB3 1 32 ARG QG . . 2.620 2.457 2.347 2.473 . 0 0 "[ . 1 . 2]" 1
660 1 32 ARG HB3 1 33 GLY H . . 4.500 3.418 3.286 3.542 . 0 0 "[ . 1 . 2]" 1
661 1 32 ARG HB3 1 34 LEU H . . 4.720 4.656 4.347 4.720 . 14 0 "[ . 1 . 2]" 1
662 1 32 ARG HB3 1 34 LEU MD1 . . 4.340 3.580 3.312 3.775 . 0 0 "[ . 1 . 2]" 1
663 1 32 ARG HB3 1 34 LEU HG . . 4.740 3.610 3.392 3.819 . 0 0 "[ . 1 . 2]" 1
664 1 32 ARG QD 1 34 LEU MD1 . . 4.040 3.284 3.049 3.887 . 0 0 "[ . 1 . 2]" 1
665 1 32 ARG QG 1 33 GLY H . . 4.290 4.244 4.123 4.290 0.000 10 0 "[ . 1 . 2]" 1
666 1 32 ARG QG 1 34 LEU MD1 . . 5.160 4.436 4.197 4.648 . 0 0 "[ . 1 . 2]" 1
667 1 32 ARG HG2 1 33 GLY H . . 4.950 4.930 4.882 4.987 0.037 14 0 "[ . 1 . 2]" 1
668 1 32 ARG HG3 1 33 GLY H . . 4.950 4.632 4.396 4.721 . 0 0 "[ . 1 . 2]" 1
669 1 33 GLY H 1 34 LEU H . . 2.950 2.040 1.891 2.135 . 0 0 "[ . 1 . 2]" 1
670 1 33 GLY H 1 34 LEU HA . . 5.110 4.676 4.621 4.726 . 0 0 "[ . 1 . 2]" 1
671 1 33 GLY H 1 34 LEU HB2 . . 4.460 3.986 3.902 4.067 . 0 0 "[ . 1 . 2]" 1
672 1 33 GLY H 1 34 LEU MD1 . . 5.230 4.479 4.279 4.626 . 0 0 "[ . 1 . 2]" 1
673 1 33 GLY H 1 34 LEU MD2 . . 5.370 5.020 4.878 5.123 . 0 0 "[ . 1 . 2]" 1
674 1 33 GLY H 1 34 LEU HG . . 4.670 3.799 3.675 3.922 . 0 0 "[ . 1 . 2]" 1
675 1 34 LEU H 1 34 LEU HB2 . . 2.900 2.613 2.452 2.686 . 0 0 "[ . 1 . 2]" 1
676 1 34 LEU H 1 34 LEU HB3 . . 3.800 3.761 3.666 3.804 0.004 11 0 "[ . 1 . 2]" 1
677 1 34 LEU H 1 34 LEU MD1 . . 4.160 4.010 3.860 4.128 . 0 0 "[ . 1 . 2]" 1
678 1 34 LEU H 1 34 LEU MD2 . . 4.080 4.043 3.934 4.080 0.000 18 0 "[ . 1 . 2]" 1
679 1 34 LEU H 1 34 LEU HG . . 3.620 3.163 2.991 3.289 . 0 0 "[ . 1 . 2]" 1
680 1 34 LEU H 1 35 PRO HD2 . . 4.970 4.829 4.824 4.837 . 0 0 "[ . 1 . 2]" 1
681 1 34 LEU H 1 35 PRO HD3 . . 5.080 4.845 4.812 4.935 . 0 0 "[ . 1 . 2]" 1
682 1 34 LEU H 1 36 VAL MG2 . . 4.090 3.616 3.551 3.819 . 0 0 "[ . 1 . 2]" 1
683 1 34 LEU HA 1 34 LEU MD1 . . 4.330 3.892 3.864 3.925 . 0 0 "[ . 1 . 2]" 1
684 1 34 LEU HA 1 34 LEU MD2 . . 3.180 2.122 1.993 2.258 . 0 0 "[ . 1 . 2]" 1
685 1 34 LEU HA 1 34 LEU HG . . 4.120 2.962 2.928 3.030 . 0 0 "[ . 1 . 2]" 1
686 1 34 LEU HA 1 35 PRO HD2 . . 3.220 2.243 2.193 2.256 . 0 0 "[ . 1 . 2]" 1
687 1 34 LEU HA 1 35 PRO HD3 . . 3.200 2.258 2.253 2.261 . 0 0 "[ . 1 . 2]" 1
688 1 34 LEU HB2 1 34 LEU MD1 . . 3.090 2.261 2.133 2.331 . 0 0 "[ . 1 . 2]" 1
689 1 34 LEU HB2 1 34 LEU MD2 . . 3.250 3.183 3.170 3.192 . 0 0 "[ . 1 . 2]" 1
690 1 34 LEU HB2 1 35 PRO HD2 . . 4.260 3.878 3.836 3.937 . 0 0 "[ . 1 . 2]" 1
691 1 34 LEU HB2 1 35 PRO HD3 . . 4.980 4.845 4.818 4.874 . 0 0 "[ . 1 . 2]" 1
692 1 34 LEU HB2 1 36 VAL H . . 5.010 4.677 4.460 4.901 . 0 0 "[ . 1 . 2]" 1
693 1 34 LEU HB2 1 36 VAL MG1 . . 4.050 3.400 3.212 3.582 . 0 0 "[ . 1 . 2]" 1
694 1 34 LEU HB2 1 36 VAL MG2 . . 3.670 2.789 2.547 3.082 . 0 0 "[ . 1 . 2]" 1
695 1 34 LEU HB3 1 34 LEU MD1 . . 3.430 2.443 2.380 2.507 . 0 0 "[ . 1 . 2]" 1
696 1 34 LEU HB3 1 35 PRO HD2 . . 3.810 2.372 2.326 2.468 . 0 0 "[ . 1 . 2]" 1
697 1 34 LEU HB3 1 35 PRO HD3 . . 4.230 3.762 3.724 3.842 . 0 0 "[ . 1 . 2]" 1
698 1 34 LEU HB3 1 36 VAL MG1 . . 3.770 3.287 3.068 3.412 . 0 0 "[ . 1 . 2]" 1
699 1 34 LEU HB3 1 36 VAL MG2 . . 4.340 3.485 3.231 3.786 . 0 0 "[ . 1 . 2]" 1
700 1 34 LEU MD1 1 35 PRO HD2 . . 4.640 4.199 4.067 4.330 . 0 0 "[ . 1 . 2]" 1
701 1 34 LEU MD1 1 45 TYR HB2 . . 4.840 3.884 3.619 4.124 . 0 0 "[ . 1 . 2]" 1
702 1 34 LEU MD1 1 45 TYR HB3 . . 4.480 2.701 2.476 2.944 . 0 0 "[ . 1 . 2]" 1
703 1 34 LEU MD1 1 45 TYR QD . . 4.070 3.334 3.147 3.550 . 0 0 "[ . 1 . 2]" 1
704 1 34 LEU MD1 1 45 TYR QE . . 4.310 4.208 3.970 4.308 . 0 0 "[ . 1 . 2]" 1
705 1 34 LEU MD2 1 35 PRO HD2 . . 3.820 2.519 2.249 2.703 . 0 0 "[ . 1 . 2]" 1
706 1 34 LEU MD2 1 35 PRO HD3 . . 3.940 3.280 3.112 3.430 . 0 0 "[ . 1 . 2]" 1
707 1 34 LEU MD2 1 45 TYR QD . . 4.600 3.820 3.550 4.060 . 0 0 "[ . 1 . 2]" 1
708 1 34 LEU MD2 1 45 TYR QE . . 3.810 3.619 3.263 3.804 . 0 0 "[ . 1 . 2]" 1
709 1 34 LEU HG 1 35 PRO HD2 . . 5.060 4.445 4.377 4.568 . 0 0 "[ . 1 . 2]" 1
710 1 34 LEU HG 1 35 PRO HD3 . . 5.500 5.122 5.066 5.228 . 0 0 "[ . 1 . 2]" 1
711 1 35 PRO HA 1 36 VAL H . . 2.930 2.354 2.284 2.407 . 0 0 "[ . 1 . 2]" 1
712 1 35 PRO HA 1 36 VAL MG2 . . 4.570 3.874 3.797 3.962 . 0 0 "[ . 1 . 2]" 1
713 1 35 PRO QB 1 36 VAL H . . 4.040 3.862 3.796 3.903 . 0 0 "[ . 1 . 2]" 1
714 1 36 VAL H 1 36 VAL HB . . 4.060 3.693 3.642 3.796 . 0 0 "[ . 1 . 2]" 1
715 1 36 VAL H 1 36 VAL MG1 . . 4.020 3.303 3.148 3.376 . 0 0 "[ . 1 . 2]" 1
716 1 36 VAL H 1 36 VAL MG2 . . 2.890 2.032 1.875 2.242 . 0 0 "[ . 1 . 2]" 1
717 1 36 VAL H 1 37 ALA H . . 4.540 4.118 3.814 4.325 . 0 0 "[ . 1 . 2]" 1
718 1 36 VAL H 1 37 ALA HA . . 5.020 4.728 4.589 4.831 . 0 0 "[ . 1 . 2]" 1
719 1 36 VAL HA 1 36 VAL MG1 . . 3.250 2.218 2.157 2.300 . 0 0 "[ . 1 . 2]" 1
720 1 36 VAL HA 1 36 VAL MG2 . . 3.690 3.163 3.151 3.189 . 0 0 "[ . 1 . 2]" 1
721 1 36 VAL HA 1 37 ALA H . . 3.300 2.157 2.141 2.239 . 0 0 "[ . 1 . 2]" 1
722 1 36 VAL HA 1 37 ALA MB . . 4.440 4.001 3.927 4.111 . 0 0 "[ . 1 . 2]" 1
723 1 36 VAL HA 1 38 ARG H . . 3.880 3.692 3.541 3.803 . 0 0 "[ . 1 . 2]" 1
724 1 36 VAL HA 1 41 ASP HB2 . . 3.730 2.858 2.638 3.257 . 0 0 "[ . 1 . 2]" 1
725 1 36 VAL HA 1 41 ASP HB3 . . 3.730 2.066 2.000 2.291 . 0 0 "[ . 1 . 2]" 1
726 1 36 VAL HB 1 37 ALA H . . 4.320 3.630 3.241 3.964 . 0 0 "[ . 1 . 2]" 1
727 1 36 VAL HB 1 41 ASP HB2 . . 4.530 3.800 3.344 4.527 . 0 0 "[ . 1 . 2]" 1
728 1 36 VAL HB 1 41 ASP QB . . 3.870 3.344 2.929 3.507 . 0 0 "[ . 1 . 2]" 1
729 1 36 VAL HB 1 41 ASP HB3 . . 4.530 3.772 2.976 4.190 . 0 0 "[ . 1 . 2]" 1
730 1 36 VAL HB 1 42 ALA H . . 4.210 4.171 4.003 4.216 0.006 18 0 "[ . 1 . 2]" 1
731 1 36 VAL HB 1 42 ALA HA . . 4.830 4.295 4.168 4.482 . 0 0 "[ . 1 . 2]" 1
732 1 36 VAL HB 1 42 ALA MB . . 3.540 2.901 2.568 3.112 . 0 0 "[ . 1 . 2]" 1
733 1 36 VAL MG1 1 37 ALA H . . 4.470 3.850 3.646 4.094 . 0 0 "[ . 1 . 2]" 1
734 1 36 VAL MG1 1 38 ARG H . . 4.750 4.464 4.052 4.660 . 0 0 "[ . 1 . 2]" 1
735 1 36 VAL MG1 1 41 ASP H . . 4.640 4.553 4.325 4.641 0.001 19 0 "[ . 1 . 2]" 1
736 1 36 VAL MG1 1 41 ASP HA . . 4.880 4.116 3.823 4.232 . 0 0 "[ . 1 . 2]" 1
737 1 36 VAL MG1 1 41 ASP HB2 . . 3.910 3.251 2.743 3.700 . 0 0 "[ . 1 . 2]" 1
738 1 36 VAL MG1 1 41 ASP HB3 . . 3.910 2.525 2.104 2.738 . 0 0 "[ . 1 . 2]" 1
739 1 36 VAL MG1 1 42 ALA H . . 3.880 3.054 2.925 3.381 . 0 0 "[ . 1 . 2]" 1
740 1 36 VAL MG1 1 42 ALA HA . . 3.530 2.252 2.102 2.613 . 0 0 "[ . 1 . 2]" 1
741 1 36 VAL MG1 1 42 ALA MB . . 3.350 2.233 1.978 2.720 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL MG1 1 43 ILE H . . 4.840 4.445 4.316 4.673 . 0 0 "[ . 1 . 2]" 1
743 1 36 VAL MG1 1 45 TYR H . . 5.200 4.534 4.403 4.738 . 0 0 "[ . 1 . 2]" 1
744 1 36 VAL MG1 1 45 TYR HB2 . . 4.350 3.238 3.067 3.561 . 0 0 "[ . 1 . 2]" 1
745 1 36 VAL MG1 1 45 TYR QD . . 3.370 2.037 1.881 2.188 . 0 0 "[ . 1 . 2]" 1
746 1 36 VAL MG1 1 45 TYR QE . . 3.410 2.500 2.299 2.667 . 0 0 "[ . 1 . 2]" 1
747 1 36 VAL MG2 1 37 ALA H . . 4.920 4.274 4.116 4.313 . 0 0 "[ . 1 . 2]" 1
748 1 36 VAL MG2 1 37 ALA HA . . 4.780 4.456 4.205 4.550 . 0 0 "[ . 1 . 2]" 1
749 1 36 VAL MG2 1 41 ASP QB . . 4.480 4.233 4.017 4.319 . 0 0 "[ . 1 . 2]" 1
750 1 36 VAL MG2 1 42 ALA HA . . 5.210 4.621 4.486 4.701 . 0 0 "[ . 1 . 2]" 1
751 1 36 VAL MG2 1 42 ALA MB . . 3.780 3.518 3.307 3.675 . 0 0 "[ . 1 . 2]" 1
752 1 36 VAL MG2 1 45 TYR HB2 . . 5.500 5.129 4.924 5.426 . 0 0 "[ . 1 . 2]" 1
753 1 36 VAL MG2 1 45 TYR QD . . 4.400 4.235 4.073 4.400 . 0 0 "[ . 1 . 2]" 1
754 1 36 VAL MG2 1 45 TYR QE . . 4.730 4.681 4.517 4.730 0.000 4 0 "[ . 1 . 2]" 1
755 1 37 ALA H 1 37 ALA MB . . 3.630 2.272 2.172 2.362 . 0 0 "[ . 1 . 2]" 1
756 1 37 ALA H 1 38 ARG H . . 3.110 2.138 1.918 2.354 . 0 0 "[ . 1 . 2]" 1
757 1 37 ALA H 1 41 ASP HB2 . . 4.540 2.531 2.274 2.930 . 0 0 "[ . 1 . 2]" 1
758 1 37 ALA H 1 41 ASP QB . . 3.950 2.367 2.177 2.711 . 0 0 "[ . 1 . 2]" 1
759 1 37 ALA H 1 41 ASP HB3 . . 4.540 2.860 2.429 3.198 . 0 0 "[ . 1 . 2]" 1
760 1 37 ALA MB 1 38 ARG H . . 3.400 2.748 2.564 2.998 . 0 0 "[ . 1 . 2]" 1
761 1 38 ARG H 1 38 ARG HB2 . . 4.020 3.904 3.861 4.019 . 0 0 "[ . 1 . 2]" 1
762 1 38 ARG H 1 38 ARG HB3 . . 3.480 3.278 3.157 3.461 . 0 0 "[ . 1 . 2]" 1
763 1 38 ARG H 1 38 ARG HG2 . . 3.920 2.488 2.188 2.937 . 0 0 "[ . 1 . 2]" 1
764 1 38 ARG H 1 38 ARG QG . . 3.300 2.399 2.169 2.641 . 0 0 "[ . 1 . 2]" 1
765 1 38 ARG H 1 38 ARG HG3 . . 3.920 3.302 2.922 3.585 . 0 0 "[ . 1 . 2]" 1
766 1 38 ARG H 1 41 ASP H . . 4.110 3.317 3.158 3.527 . 0 0 "[ . 1 . 2]" 1
767 1 38 ARG H 1 41 ASP HB2 . . 4.090 2.139 1.962 2.440 . 0 0 "[ . 1 . 2]" 1
768 1 38 ARG H 1 41 ASP QB . . 3.440 2.113 1.949 2.281 . 0 0 "[ . 1 . 2]" 1
769 1 38 ARG H 1 41 ASP HB3 . . 4.090 3.544 2.528 3.739 . 0 0 "[ . 1 . 2]" 1
770 1 38 ARG H 1 42 ALA H . . 5.150 4.175 3.781 4.460 . 0 0 "[ . 1 . 2]" 1
771 1 38 ARG H 1 42 ALA MB . . 5.110 4.796 4.432 5.112 0.002 16 0 "[ . 1 . 2]" 1
772 1 38 ARG HA 1 40 ALA H . . 5.300 4.781 4.544 4.963 . 0 0 "[ . 1 . 2]" 1
773 1 38 ARG HB2 1 38 ARG QD . . 3.460 2.527 2.196 2.971 . 0 0 "[ . 1 . 2]" 1
774 1 38 ARG HB2 1 39 VAL H . . 4.420 2.148 2.018 2.299 . 0 0 "[ . 1 . 2]" 1
775 1 38 ARG HB2 1 40 ALA H . . 4.130 3.417 3.109 3.765 . 0 0 "[ . 1 . 2]" 1
776 1 38 ARG HB2 1 41 ASP H . . 4.670 4.420 4.237 4.619 . 0 0 "[ . 1 . 2]" 1
777 1 38 ARG HB3 1 38 ARG QD . . 3.620 2.556 2.120 3.122 . 0 0 "[ . 1 . 2]" 1
778 1 38 ARG HB3 1 39 VAL H . . 4.800 3.628 3.528 3.756 . 0 0 "[ . 1 . 2]" 1
779 1 38 ARG HB3 1 41 ASP H . . 5.370 4.931 4.756 5.113 . 0 0 "[ . 1 . 2]" 1
780 1 38 ARG QD 1 40 ALA MB . . 4.270 2.669 1.985 3.580 . 0 0 "[ . 1 . 2]" 1
781 1 38 ARG QG 1 39 VAL H . . 5.140 3.150 2.918 3.409 . 0 0 "[ . 1 . 2]" 1
782 1 38 ARG QG 1 40 ALA H . . 3.440 2.313 2.079 2.452 . 0 0 "[ . 1 . 2]" 1
783 1 38 ARG QG 1 40 ALA HA . . 4.730 4.230 4.075 4.356 . 0 0 "[ . 1 . 2]" 1
784 1 38 ARG QG 1 40 ALA MB . . 3.870 2.322 2.137 2.555 . 0 0 "[ . 1 . 2]" 1
785 1 38 ARG HG2 1 40 ALA H . . 4.140 4.020 3.735 4.127 . 0 0 "[ . 1 . 2]" 1
786 1 38 ARG HG2 1 41 ASP H . . 4.100 3.225 2.935 3.629 . 0 0 "[ . 1 . 2]" 1
787 1 38 ARG HG3 1 40 ALA H . . 4.140 2.327 2.088 2.471 . 0 0 "[ . 1 . 2]" 1
788 1 38 ARG HG3 1 41 ASP H . . 4.100 2.468 2.096 2.950 . 0 0 "[ . 1 . 2]" 1
789 1 39 VAL H 1 39 VAL HB . . 4.120 2.495 2.360 2.632 . 0 0 "[ . 1 . 2]" 1
790 1 39 VAL H 1 39 VAL MG2 . . 4.150 2.178 1.885 2.466 . 0 0 "[ . 1 . 2]" 1
791 1 39 VAL H 1 42 ALA H . . 5.160 4.734 4.547 4.818 . 0 0 "[ . 1 . 2]" 1
792 1 39 VAL HA 1 39 VAL MG1 . . 3.500 2.451 2.378 2.538 . 0 0 "[ . 1 . 2]" 1
793 1 39 VAL HA 1 39 VAL MG2 . . 3.260 2.306 2.158 2.441 . 0 0 "[ . 1 . 2]" 1
794 1 39 VAL HA 1 41 ASP H . . 5.250 3.953 3.678 4.165 . 0 0 "[ . 1 . 2]" 1
795 1 39 VAL HA 1 42 ALA H . . 4.140 3.111 3.002 3.184 . 0 0 "[ . 1 . 2]" 1
796 1 39 VAL HA 1 42 ALA MB . . 3.670 2.619 2.415 2.773 . 0 0 "[ . 1 . 2]" 1
797 1 39 VAL HA 1 43 ILE H . . 5.260 4.342 4.004 4.585 . 0 0 "[ . 1 . 2]" 1
798 1 39 VAL HB 1 40 ALA H . . 3.870 2.420 2.263 2.648 . 0 0 "[ . 1 . 2]" 1
799 1 39 VAL HB 1 40 ALA HA . . 5.070 4.276 4.134 4.402 . 0 0 "[ . 1 . 2]" 1
800 1 39 VAL MG1 1 40 ALA H . . 3.940 3.101 2.710 3.424 . 0 0 "[ . 1 . 2]" 1
801 1 39 VAL MG1 1 40 ALA HA . . 4.260 3.261 2.932 3.548 . 0 0 "[ . 1 . 2]" 1
802 1 39 VAL MG1 1 40 ALA MB . . 4.380 3.957 3.693 4.229 . 0 0 "[ . 1 . 2]" 1
803 1 39 VAL MG1 1 43 ILE H . . 4.520 3.902 3.552 4.165 . 0 0 "[ . 1 . 2]" 1
804 1 39 VAL MG1 1 43 ILE MD . . 3.500 2.862 2.584 3.316 . 0 0 "[ . 1 . 2]" 1
805 1 39 VAL MG1 1 43 ILE HG12 . . 3.980 2.952 2.674 3.281 . 0 0 "[ . 1 . 2]" 1
806 1 39 VAL MG1 1 43 ILE HG13 . . 4.220 2.223 2.004 2.576 . 0 0 "[ . 1 . 2]" 1
807 1 39 VAL MG2 1 40 ALA H . . 4.410 3.835 3.706 3.982 . 0 0 "[ . 1 . 2]" 1
808 1 39 VAL MG2 1 42 ALA MB . . 4.450 3.970 3.758 4.188 . 0 0 "[ . 1 . 2]" 1
809 1 40 ALA H 1 40 ALA MB . . 2.980 2.172 2.050 2.240 . 0 0 "[ . 1 . 2]" 1
810 1 40 ALA H 1 41 ASP H . . 3.590 2.843 2.774 2.990 . 0 0 "[ . 1 . 2]" 1
811 1 40 ALA H 1 42 ALA H . . 4.950 4.307 4.179 4.423 . 0 0 "[ . 1 . 2]" 1
812 1 40 ALA H 1 43 ILE MD . . 5.110 3.973 3.731 4.177 . 0 0 "[ . 1 . 2]" 1
813 1 40 ALA H 1 43 ILE HG13 . . 4.060 3.936 3.696 4.062 0.002 16 0 "[ . 1 . 2]" 1
814 1 40 ALA HA 1 42 ALA H . . 4.770 4.569 4.338 4.702 . 0 0 "[ . 1 . 2]" 1
815 1 40 ALA HA 1 43 ILE H . . 4.260 3.693 3.416 3.902 . 0 0 "[ . 1 . 2]" 1
816 1 40 ALA HA 1 43 ILE HB . . 4.160 3.006 2.851 3.194 . 0 0 "[ . 1 . 2]" 1
817 1 40 ALA HA 1 43 ILE MD . . 3.290 2.073 1.905 2.260 . 0 0 "[ . 1 . 2]" 1
818 1 40 ALA HA 1 43 ILE HG12 . . 4.230 3.824 3.677 4.032 . 0 0 "[ . 1 . 2]" 1
819 1 40 ALA HA 1 43 ILE HG13 . . 3.880 2.343 2.177 2.571 . 0 0 "[ . 1 . 2]" 1
820 1 40 ALA HA 1 43 ILE MG . . 4.640 4.013 3.859 4.132 . 0 0 "[ . 1 . 2]" 1
821 1 40 ALA MB 1 41 ASP H . . 3.590 2.741 2.574 2.932 . 0 0 "[ . 1 . 2]" 1
822 1 40 ALA MB 1 41 ASP HA . . 4.450 3.862 3.765 3.955 . 0 0 "[ . 1 . 2]" 1
823 1 40 ALA MB 1 42 ALA H . . 4.730 4.631 4.509 4.729 . 0 0 "[ . 1 . 2]" 1
824 1 40 ALA MB 1 43 ILE MD . . 3.870 3.070 2.865 3.255 . 0 0 "[ . 1 . 2]" 1
825 1 41 ASP H 1 41 ASP HB2 . . 3.750 2.276 2.213 2.525 . 0 0 "[ . 1 . 2]" 1
826 1 41 ASP H 1 41 ASP QB . . 3.160 2.247 2.191 2.480 . 0 0 "[ . 1 . 2]" 1
827 1 41 ASP H 1 41 ASP HB3 . . 3.750 3.512 2.866 3.617 . 0 0 "[ . 1 . 2]" 1
828 1 41 ASP H 1 42 ALA H . . 3.000 2.441 2.318 2.519 . 0 0 "[ . 1 . 2]" 1
829 1 41 ASP H 1 42 ALA MB . . 4.290 4.175 4.034 4.287 . 0 0 "[ . 1 . 2]" 1
830 1 41 ASP H 1 43 ILE H . . 4.210 3.691 3.590 3.822 . 0 0 "[ . 1 . 2]" 1
831 1 41 ASP H 1 43 ILE HG13 . . 5.500 4.568 4.426 4.852 . 0 0 "[ . 1 . 2]" 1
832 1 41 ASP HA 1 44 PRO HD2 . . 4.490 3.554 3.456 3.655 . 0 0 "[ . 1 . 2]" 1
833 1 41 ASP HA 1 44 PRO HD3 . . 4.880 4.322 4.187 4.447 . 0 0 "[ . 1 . 2]" 1
834 1 41 ASP HA 1 44 PRO HG3 . . 4.580 4.368 4.062 4.555 . 0 0 "[ . 1 . 2]" 1
835 1 41 ASP QB 1 42 ALA H . . 3.500 2.655 2.536 2.769 . 0 0 "[ . 1 . 2]" 1
836 1 41 ASP QB 1 42 ALA MB . . 4.900 3.673 3.595 3.774 . 0 0 "[ . 1 . 2]" 1
837 1 41 ASP QB 1 45 TYR QE . . 4.880 3.109 2.774 4.126 . 0 0 "[ . 1 . 2]" 1
838 1 41 ASP HB2 1 42 ALA H . . 4.100 2.805 2.582 3.590 . 0 0 "[ . 1 . 2]" 1
839 1 41 ASP HB2 1 43 ILE H . . 5.500 4.788 4.624 5.185 . 0 0 "[ . 1 . 2]" 1
840 1 41 ASP HB3 1 42 ALA H . . 4.100 3.425 2.669 3.706 . 0 0 "[ . 1 . 2]" 1
841 1 41 ASP HB3 1 43 ILE H . . 5.500 4.954 4.637 5.133 . 0 0 "[ . 1 . 2]" 1
842 1 42 ALA H 1 42 ALA MB . . 3.000 2.202 2.088 2.314 . 0 0 "[ . 1 . 2]" 1
843 1 42 ALA H 1 43 ILE H . . 3.160 2.526 2.358 2.637 . 0 0 "[ . 1 . 2]" 1
844 1 42 ALA H 1 43 ILE HB . . 4.780 4.519 4.429 4.598 . 0 0 "[ . 1 . 2]" 1
845 1 42 ALA H 1 43 ILE MD . . 5.500 5.369 5.238 5.483 . 0 0 "[ . 1 . 2]" 1
846 1 42 ALA H 1 44 PRO HD2 . . 4.650 3.970 3.745 4.105 . 0 0 "[ . 1 . 2]" 1
847 1 42 ALA H 1 44 PRO HD3 . . 5.500 5.328 5.132 5.456 . 0 0 "[ . 1 . 2]" 1
848 1 42 ALA HA 1 44 PRO HD2 . . 4.780 3.506 3.410 3.578 . 0 0 "[ . 1 . 2]" 1
849 1 42 ALA HA 1 44 PRO HG2 . . 4.700 4.337 4.136 4.464 . 0 0 "[ . 1 . 2]" 1
850 1 42 ALA HA 1 45 TYR H . . 3.970 3.303 3.066 3.442 . 0 0 "[ . 1 . 2]" 1
851 1 42 ALA HA 1 45 TYR HB2 . . 4.810 2.388 2.288 2.474 . 0 0 "[ . 1 . 2]" 1
852 1 42 ALA HA 1 45 TYR HB3 . . 4.720 4.060 3.974 4.148 . 0 0 "[ . 1 . 2]" 1
853 1 42 ALA HA 1 45 TYR QD . . 3.120 2.036 1.999 2.120 . 0 0 "[ . 1 . 2]" 1
854 1 42 ALA HA 1 45 TYR QE . . 4.400 4.157 4.066 4.234 . 0 0 "[ . 1 . 2]" 1
855 1 42 ALA HA 1 46 CYS H . . 5.320 4.436 4.158 4.712 . 0 0 "[ . 1 . 2]" 1
856 1 42 ALA MB 1 43 ILE H . . 3.520 3.337 3.093 3.457 . 0 0 "[ . 1 . 2]" 1
857 1 42 ALA MB 1 45 TYR HB2 . . 5.180 3.436 3.210 3.592 . 0 0 "[ . 1 . 2]" 1
858 1 42 ALA MB 1 45 TYR QD . . 3.880 3.494 3.427 3.572 . 0 0 "[ . 1 . 2]" 1
859 1 42 ALA MB 1 45 TYR QE . . 5.130 5.076 5.007 5.127 . 0 0 "[ . 1 . 2]" 1
860 1 42 ALA MB 1 46 CYS H . . 4.910 4.577 4.303 4.749 . 0 0 "[ . 1 . 2]" 1
861 1 43 ILE H 1 43 ILE HB . . 3.130 2.219 2.196 2.279 . 0 0 "[ . 1 . 2]" 1
862 1 43 ILE H 1 43 ILE MD . . 3.970 3.937 3.820 3.971 0.001 16 0 "[ . 1 . 2]" 1
863 1 43 ILE H 1 43 ILE HG12 . . 4.040 3.915 3.774 4.040 0.000 1 0 "[ . 1 . 2]" 1
864 1 43 ILE H 1 43 ILE HG13 . . 3.280 2.863 2.703 2.949 . 0 0 "[ . 1 . 2]" 1
865 1 43 ILE H 1 43 ILE MG . . 3.850 3.611 3.581 3.669 . 0 0 "[ . 1 . 2]" 1
866 1 43 ILE H 1 44 PRO HD2 . . 3.620 2.045 1.907 2.244 . 0 0 "[ . 1 . 2]" 1
867 1 43 ILE H 1 44 PRO HD3 . . 3.600 3.092 2.980 3.249 . 0 0 "[ . 1 . 2]" 1
868 1 43 ILE H 1 45 TYR HB2 . . 5.500 4.975 4.844 5.191 . 0 0 "[ . 1 . 2]" 1
869 1 43 ILE H 1 46 CYS QB . . 5.340 4.973 4.683 5.343 0.003 16 0 "[ . 1 . 2]" 1
870 1 43 ILE HA 1 43 ILE MD . . 3.890 3.703 3.681 3.730 . 0 0 "[ . 1 . 2]" 1
871 1 43 ILE HA 1 43 ILE HG12 . . 3.470 2.295 2.244 2.390 . 0 0 "[ . 1 . 2]" 1
872 1 43 ILE HA 1 43 ILE HG13 . . 3.670 2.719 2.607 2.779 . 0 0 "[ . 1 . 2]" 1
873 1 43 ILE HA 1 43 ILE MG . . 3.500 2.673 2.652 2.691 . 0 0 "[ . 1 . 2]" 1
874 1 43 ILE HA 1 45 TYR H . . 5.050 4.767 4.569 4.967 . 0 0 "[ . 1 . 2]" 1
875 1 43 ILE HA 1 46 CYS H . . 4.740 4.113 4.042 4.217 . 0 0 "[ . 1 . 2]" 1
876 1 43 ILE HB 1 43 ILE MD . . 3.400 2.399 2.318 2.445 . 0 0 "[ . 1 . 2]" 1
877 1 43 ILE HB 1 44 PRO HD2 . . 3.460 2.505 2.494 2.518 . 0 0 "[ . 1 . 2]" 1
878 1 43 ILE HB 1 44 PRO HD3 . . 3.280 1.944 1.937 1.950 . 0 0 "[ . 1 . 2]" 1
879 1 43 ILE MD 1 43 ILE MG . . 3.040 1.945 1.872 2.066 . 0 0 "[ . 1 . 2]" 1
880 1 43 ILE HG13 1 43 ILE MG . . 3.600 3.196 3.191 3.201 . 0 0 "[ . 1 . 2]" 1
881 1 43 ILE MG 1 44 PRO HA . . 3.790 2.888 2.838 2.960 . 0 0 "[ . 1 . 2]" 1
882 1 43 ILE MG 1 44 PRO HD2 . . 3.990 3.187 3.158 3.229 . 0 0 "[ . 1 . 2]" 1
883 1 43 ILE MG 1 44 PRO HD3 . . 3.570 1.967 1.963 1.973 . 0 0 "[ . 1 . 2]" 1
884 1 43 ILE MG 1 47 SER QB . . 4.640 3.565 3.248 4.578 . 0 0 "[ . 1 . 2]" 1
885 1 44 PRO HA 1 46 CYS H . . 5.500 3.570 3.483 3.674 . 0 0 "[ . 1 . 2]" 1
886 1 44 PRO HA 1 47 SER QB . . 4.620 2.396 2.013 3.012 . 0 0 "[ . 1 . 2]" 1
887 1 44 PRO HB2 1 46 CYS H . . 4.720 4.710 4.689 4.728 0.008 4 0 "[ . 1 . 2]" 1
888 1 44 PRO HB3 1 45 TYR H . . 4.160 4.009 3.913 4.100 . 0 0 "[ . 1 . 2]" 1
889 1 44 PRO HD2 1 45 TYR H . . 3.760 2.681 2.648 2.736 . 0 0 "[ . 1 . 2]" 1
890 1 44 PRO HD2 1 45 TYR QD . . 4.170 3.943 3.830 4.045 . 0 0 "[ . 1 . 2]" 1
891 1 44 PRO HD2 1 45 TYR QE . . 4.860 4.771 4.697 4.844 . 0 0 "[ . 1 . 2]" 1
892 1 44 PRO HD3 1 45 TYR H . . 4.330 3.846 3.836 3.867 . 0 0 "[ . 1 . 2]" 1
893 1 44 PRO HD3 1 45 TYR QD . . 5.500 5.471 5.395 5.500 0.000 15 0 "[ . 1 . 2]" 1
894 1 44 PRO HG2 1 45 TYR H . . 4.210 2.115 1.955 2.285 . 0 0 "[ . 1 . 2]" 1
895 1 44 PRO HG2 1 45 TYR QD . . 4.470 3.514 3.441 3.569 . 0 0 "[ . 1 . 2]" 1
896 1 44 PRO HG2 1 45 TYR QE . . 4.580 3.838 3.604 3.954 . 0 0 "[ . 1 . 2]" 1
897 1 44 PRO HG3 1 45 TYR H . . 4.910 3.691 3.571 3.819 . 0 0 "[ . 1 . 2]" 1
898 1 45 TYR H 1 45 TYR HB2 . . 3.320 2.541 2.488 2.594 . 0 0 "[ . 1 . 2]" 1
899 1 45 TYR H 1 45 TYR HB3 . . 3.780 3.594 3.589 3.618 . 0 0 "[ . 1 . 2]" 1
900 1 45 TYR H 1 45 TYR QD . . 3.440 3.070 3.029 3.120 . 0 0 "[ . 1 . 2]" 1
901 1 45 TYR H 1 45 TYR QE . . 4.730 4.418 4.347 4.492 . 0 0 "[ . 1 . 2]" 1
902 1 45 TYR H 1 46 CYS H . . 3.150 2.677 2.641 2.723 . 0 0 "[ . 1 . 2]" 1
903 1 45 TYR H 1 47 SER H . . 4.810 4.193 3.962 4.526 . 0 0 "[ . 1 . 2]" 1
904 1 45 TYR HA 1 45 TYR QD . . 3.490 2.236 2.211 2.276 . 0 0 "[ . 1 . 2]" 1
905 1 45 TYR HB2 1 46 CYS H . . 4.190 3.412 3.204 3.780 . 0 0 "[ . 1 . 2]" 1
906 1 46 CYS H 1 46 CYS HB2 . . 3.880 2.638 2.381 3.812 . 0 0 "[ . 1 . 2]" 1
907 1 46 CYS H 1 46 CYS QB . . 3.270 2.496 2.348 2.768 . 0 0 "[ . 1 . 2]" 1
908 1 46 CYS H 1 46 CYS HB3 . . 3.880 3.594 2.770 3.791 . 0 0 "[ . 1 . 2]" 1
909 1 46 CYS H 1 47 SER H . . 3.710 2.040 1.814 2.464 . 0 0 "[ . 1 . 2]" 1
910 1 46 CYS H 1 47 SER QB . . 4.920 3.803 3.582 4.044 . 0 0 "[ . 1 . 2]" 1
911 1 46 CYS H 1 49 ASP H . . 5.500 5.172 4.884 5.502 0.002 20 0 "[ . 1 . 2]" 1
912 1 46 CYS HA 1 49 ASP H . . 4.470 3.076 2.721 3.360 . 0 0 "[ . 1 . 2]" 1
913 1 46 CYS HA 1 49 ASP QB . . 5.110 2.878 2.381 4.043 . 0 0 "[ . 1 . 2]" 1
914 1 46 CYS HA 1 50 TRP H . . 5.220 3.975 3.735 4.316 . 0 0 "[ . 1 . 2]" 1
915 1 46 CYS QB 1 49 ASP H . . 4.690 4.400 3.988 4.675 . 0 0 "[ . 1 . 2]" 1
916 1 47 SER H 1 49 ASP H . . 4.900 4.380 3.685 4.894 . 0 0 "[ . 1 . 2]" 1
917 1 47 SER HA 1 50 TRP H . . 4.060 3.805 3.258 4.060 0.000 17 0 "[ . 1 . 2]" 1
918 1 47 SER HA 1 50 TRP HB2 . . 4.240 3.872 3.334 4.205 . 0 0 "[ . 1 . 2]" 1
919 1 47 SER HA 1 50 TRP HB3 . . 4.080 2.891 2.447 3.379 . 0 0 "[ . 1 . 2]" 1
920 1 47 SER HA 1 50 TRP HD1 . . 5.100 4.312 3.791 5.083 . 0 0 "[ . 1 . 2]" 1
921 1 47 SER HA 1 51 ALA H . . 4.870 4.419 3.981 4.807 . 0 0 "[ . 1 . 2]" 1
922 1 48 SER HA 1 51 ALA H . . 3.840 3.599 3.358 3.761 . 0 0 "[ . 1 . 2]" 1
923 1 48 SER HA 1 51 ALA MB . . 3.510 2.805 2.635 2.993 . 0 0 "[ . 1 . 2]" 1
924 1 48 SER QB 1 49 ASP H . . 3.550 2.835 2.109 3.475 . 0 0 "[ . 1 . 2]" 1
925 1 48 SER QB 1 51 ALA MB . . 4.560 4.283 3.934 4.555 . 0 0 "[ . 1 . 2]" 1
926 1 48 SER QB 1 52 LEU HG . . 5.340 4.504 3.968 5.190 . 0 0 "[ . 1 . 2]" 1
927 1 48 SER HB2 1 49 ASP H . . 4.320 3.174 2.133 4.102 . 0 0 "[ . 1 . 2]" 1
928 1 48 SER HB2 1 51 ALA MB . . 5.360 4.881 4.159 5.356 . 0 0 "[ . 1 . 2]" 1
929 1 48 SER HB3 1 49 ASP H . . 4.320 3.489 2.402 4.239 . 0 0 "[ . 1 . 2]" 1
930 1 48 SER HB3 1 51 ALA MB . . 5.360 4.833 4.394 5.342 . 0 0 "[ . 1 . 2]" 1
931 1 48 SER HG 1 49 ASP H . . 4.890 3.629 2.129 4.816 . 0 0 "[ . 1 . 2]" 1
932 1 49 ASP H 1 49 ASP QB . . 3.070 2.368 2.156 2.877 . 0 0 "[ . 1 . 2]" 1
933 1 49 ASP H 1 50 TRP H . . 3.320 2.674 2.364 2.789 . 0 0 "[ . 1 . 2]" 1
934 1 49 ASP H 1 50 TRP HB3 . . 5.070 4.784 4.512 4.887 . 0 0 "[ . 1 . 2]" 1
935 1 49 ASP H 1 51 ALA H . . 4.560 4.142 3.934 4.311 . 0 0 "[ . 1 . 2]" 1
936 1 49 ASP HA 1 51 ALA H . . 4.930 4.220 4.081 4.370 . 0 0 "[ . 1 . 2]" 1
937 1 49 ASP HA 1 52 LEU H . . 4.050 3.475 3.318 3.611 . 0 0 "[ . 1 . 2]" 1
938 1 49 ASP HA 1 52 LEU HB2 . . 4.240 3.155 2.889 3.490 . 0 0 "[ . 1 . 2]" 1
939 1 49 ASP HA 1 52 LEU MD1 . . 3.790 2.134 1.860 2.392 . 0 0 "[ . 1 . 2]" 1
940 1 49 ASP HA 1 52 LEU HG . . 4.540 2.741 2.432 3.135 . 0 0 "[ . 1 . 2]" 1
941 1 49 ASP QB 1 50 TRP H . . 3.390 2.608 2.425 3.109 . 0 0 "[ . 1 . 2]" 1
942 1 49 ASP HB2 1 50 TRP H . . 4.100 2.977 2.521 3.653 . 0 0 "[ . 1 . 2]" 1
943 1 49 ASP HB2 1 50 TRP HA . . 5.500 4.658 3.995 5.487 . 0 0 "[ . 1 . 2]" 1
944 1 49 ASP HB3 1 50 TRP H . . 4.100 3.333 2.472 4.055 . 0 0 "[ . 1 . 2]" 1
945 1 49 ASP HB3 1 50 TRP HA . . 5.500 4.309 3.887 5.533 0.033 20 0 "[ . 1 . 2]" 1
946 1 50 TRP H 1 50 TRP HB2 . . 3.110 2.613 2.564 2.693 . 0 0 "[ . 1 . 2]" 1
947 1 50 TRP H 1 50 TRP HB3 . . 3.000 2.452 2.384 2.495 . 0 0 "[ . 1 . 2]" 1
948 1 50 TRP H 1 50 TRP HD1 . . 4.970 4.913 4.792 4.973 0.003 10 0 "[ . 1 . 2]" 1
949 1 50 TRP H 1 50 TRP HE3 . . 4.990 4.738 4.660 4.890 . 0 0 "[ . 1 . 2]" 1
950 1 50 TRP H 1 51 ALA H . . 3.220 2.699 2.591 2.789 . 0 0 "[ . 1 . 2]" 1
951 1 50 TRP H 1 51 ALA MB . . 4.390 4.275 4.175 4.359 . 0 0 "[ . 1 . 2]" 1
952 1 50 TRP H 1 52 LEU H . . 4.770 4.006 3.896 4.113 . 0 0 "[ . 1 . 2]" 1
953 1 50 TRP HA 1 50 TRP HE3 . . 3.600 2.637 2.489 2.817 . 0 0 "[ . 1 . 2]" 1
954 1 50 TRP HA 1 50 TRP HZ3 . . 5.030 4.843 4.716 5.007 . 0 0 "[ . 1 . 2]" 1
955 1 50 TRP HA 1 52 LEU H . . 4.080 3.764 3.573 3.990 . 0 0 "[ . 1 . 2]" 1
956 1 50 TRP HA 1 53 LEU H . . 3.990 3.382 3.295 3.514 . 0 0 "[ . 1 . 2]" 1
957 1 50 TRP HA 1 53 LEU HB2 . . 4.330 3.323 3.122 3.495 . 0 0 "[ . 1 . 2]" 1
958 1 50 TRP HA 1 53 LEU HB3 . . 5.040 4.844 4.653 5.028 . 0 0 "[ . 1 . 2]" 1
959 1 50 TRP HA 1 53 LEU MD1 . . 3.840 2.123 1.953 2.834 . 0 0 "[ . 1 . 2]" 1
960 1 50 TRP HA 1 53 LEU MD2 . . 4.750 4.576 4.371 4.732 . 0 0 "[ . 1 . 2]" 1
961 1 50 TRP HA 1 53 LEU HG . . 3.750 3.337 3.123 3.502 . 0 0 "[ . 1 . 2]" 1
962 1 50 TRP HB2 1 50 TRP HD1 . . 3.810 3.712 3.673 3.755 . 0 0 "[ . 1 . 2]" 1
963 1 50 TRP HB2 1 51 ALA H . . 4.060 4.005 3.905 4.065 0.005 20 0 "[ . 1 . 2]" 1
964 1 50 TRP HB3 1 50 TRP HD1 . . 3.620 2.576 2.560 2.601 . 0 0 "[ . 1 . 2]" 1
965 1 50 TRP HB3 1 50 TRP HE1 . . 4.960 4.760 4.754 4.768 . 0 0 "[ . 1 . 2]" 1
966 1 50 TRP HB3 1 51 ALA H . . 3.310 2.736 2.585 2.843 . 0 0 "[ . 1 . 2]" 1
967 1 50 TRP HB3 1 51 ALA MB . . 4.600 4.058 3.954 4.133 . 0 0 "[ . 1 . 2]" 1
968 1 50 TRP HD1 1 51 ALA H . . 4.090 3.916 3.651 4.046 . 0 0 "[ . 1 . 2]" 1
969 1 50 TRP HD1 1 51 ALA HA . . 4.220 3.733 3.458 3.886 . 0 0 "[ . 1 . 2]" 1
970 1 50 TRP HD1 1 51 ALA MB . . 4.530 4.083 3.862 4.202 . 0 0 "[ . 1 . 2]" 1
971 1 50 TRP HD1 1 58 LYS QE . . 4.950 3.808 3.506 4.031 . 0 0 "[ . 1 . 2]" 1
972 1 50 TRP HE1 1 58 LYS HD2 . . 5.330 4.886 4.481 5.141 . 0 0 "[ . 1 . 2]" 1
973 1 50 TRP HE1 1 58 LYS HD3 . . 4.790 3.467 3.077 3.736 . 0 0 "[ . 1 . 2]" 1
974 1 50 TRP HE1 1 58 LYS HE2 . . 4.750 3.030 2.496 3.501 . 0 0 "[ . 1 . 2]" 1
975 1 50 TRP HE1 1 58 LYS QE . . 3.930 2.963 2.477 3.309 . 0 0 "[ . 1 . 2]" 1
976 1 50 TRP HE1 1 58 LYS HE3 . . 4.750 4.358 4.073 4.743 . 0 0 "[ . 1 . 2]" 1
977 1 50 TRP HE3 1 53 LEU MD1 . . 3.910 1.956 1.891 2.104 . 0 0 "[ . 1 . 2]" 1
978 1 50 TRP HE3 1 53 LEU MD2 . . 4.660 4.424 4.213 4.607 . 0 0 "[ . 1 . 2]" 1
979 1 50 TRP HH2 1 58 LYS HA . . 4.050 2.377 2.184 2.541 . 0 0 "[ . 1 . 2]" 1
980 1 50 TRP HH2 1 58 LYS QB . . 4.340 3.411 3.104 3.653 . 0 0 "[ . 1 . 2]" 1
981 1 50 TRP HH2 1 58 LYS HD3 . . 5.500 4.519 4.297 4.769 . 0 0 "[ . 1 . 2]" 1
982 1 50 TRP HH2 1 58 LYS HG2 . . 5.000 3.523 3.254 3.680 . 0 0 "[ . 1 . 2]" 1
983 1 50 TRP HH2 1 58 LYS HG3 . . 5.390 5.058 4.790 5.225 . 0 0 "[ . 1 . 2]" 1
984 1 50 TRP HH2 1 61 TYR HB2 . . 4.100 2.786 2.513 3.044 . 0 0 "[ . 1 . 2]" 1
985 1 50 TRP HH2 1 61 TYR HB3 . . 4.690 3.441 3.150 3.602 . 0 0 "[ . 1 . 2]" 1
986 1 50 TRP HZ2 1 58 LYS HA . . 3.700 3.635 3.390 3.700 . 0 0 "[ . 1 . 2]" 1
987 1 50 TRP HZ2 1 58 LYS QB . . 4.080 2.885 2.615 3.069 . 0 0 "[ . 1 . 2]" 1
988 1 50 TRP HZ2 1 58 LYS HD2 . . 4.810 4.571 4.226 4.805 . 0 0 "[ . 1 . 2]" 1
989 1 50 TRP HZ2 1 58 LYS HD3 . . 4.010 2.880 2.560 3.147 . 0 0 "[ . 1 . 2]" 1
990 1 50 TRP HZ2 1 58 LYS QE . . 3.930 3.483 3.065 3.929 . 0 0 "[ . 1 . 2]" 1
991 1 50 TRP HZ2 1 58 LYS HG2 . . 5.070 3.393 2.917 3.765 . 0 0 "[ . 1 . 2]" 1
992 1 50 TRP HZ2 1 58 LYS HG3 . . 5.040 4.824 4.383 5.036 . 0 0 "[ . 1 . 2]" 1
993 1 50 TRP HZ2 1 61 TYR HB2 . . 5.500 5.074 4.846 5.308 . 0 0 "[ . 1 . 2]" 1
994 1 50 TRP HZ3 1 53 LEU MD1 . . 4.290 2.353 2.256 2.476 . 0 0 "[ . 1 . 2]" 1
995 1 50 TRP HZ3 1 53 LEU MD2 . . 4.380 4.078 3.873 4.331 . 0 0 "[ . 1 . 2]" 1
996 1 50 TRP HZ3 1 58 LYS HA . . 4.590 3.784 3.546 3.983 . 0 0 "[ . 1 . 2]" 1
997 1 50 TRP HZ3 1 61 TYR HB2 . . 4.670 3.616 3.329 3.846 . 0 0 "[ . 1 . 2]" 1
998 1 50 TRP HZ3 1 61 TYR HB3 . . 5.050 3.933 3.712 4.108 . 0 0 "[ . 1 . 2]" 1
999 1 50 TRP HZ3 1 61 TYR QD . . 4.040 3.541 3.142 3.823 . 0 0 "[ . 1 . 2]" 1
1000 1 50 TRP HZ3 1 61 TYR QE . . 4.780 4.195 3.963 4.427 . 0 0 "[ . 1 . 2]" 1
1001 1 51 ALA H 1 51 ALA MB . . 2.780 2.044 2.027 2.075 . 0 0 "[ . 1 . 2]" 1
1002 1 51 ALA H 1 52 LEU H . . 3.270 2.587 2.516 2.668 . 0 0 "[ . 1 . 2]" 1
1003 1 51 ALA H 1 52 LEU HB2 . . 5.430 4.820 4.692 5.048 . 0 0 "[ . 1 . 2]" 1
1004 1 51 ALA H 1 52 LEU HG . . 4.260 4.089 3.830 4.246 . 0 0 "[ . 1 . 2]" 1
1005 1 51 ALA H 1 53 LEU H . . 4.300 4.211 4.096 4.294 . 0 0 "[ . 1 . 2]" 1
1006 1 51 ALA HA 1 52 LEU HG . . 5.500 5.341 5.176 5.469 . 0 0 "[ . 1 . 2]" 1
1007 1 51 ALA HA 1 53 LEU H . . 4.260 4.074 3.890 4.219 . 0 0 "[ . 1 . 2]" 1
1008 1 51 ALA HA 1 58 LYS QE . . 4.750 3.514 3.099 4.026 . 0 0 "[ . 1 . 2]" 1
1009 1 51 ALA MB 1 52 LEU H . . 3.420 3.077 2.931 3.219 . 0 0 "[ . 1 . 2]" 1
1010 1 51 ALA MB 1 52 LEU HA . . 4.280 3.875 3.804 3.976 . 0 0 "[ . 1 . 2]" 1
1011 1 51 ALA MB 1 52 LEU MD1 . . 4.850 4.723 4.566 4.852 0.002 20 0 "[ . 1 . 2]" 1
1012 1 51 ALA MB 1 52 LEU MD2 . . 4.090 3.638 3.251 3.941 . 0 0 "[ . 1 . 2]" 1
1013 1 51 ALA MB 1 52 LEU HG . . 4.050 3.646 3.540 3.758 . 0 0 "[ . 1 . 2]" 1
1014 1 52 LEU H 1 52 LEU HB2 . . 2.950 2.455 2.391 2.569 . 0 0 "[ . 1 . 2]" 1
1015 1 52 LEU H 1 52 LEU HB3 . . 3.610 3.607 3.587 3.630 0.020 15 0 "[ . 1 . 2]" 1
1016 1 52 LEU H 1 52 LEU MD1 . . 3.920 3.640 3.407 3.901 . 0 0 "[ . 1 . 2]" 1
1017 1 52 LEU H 1 52 LEU MD2 . . 3.750 3.533 3.287 3.743 . 0 0 "[ . 1 . 2]" 1
1018 1 52 LEU H 1 52 LEU HG . . 3.060 2.447 2.146 2.786 . 0 0 "[ . 1 . 2]" 1
1019 1 52 LEU H 1 53 LEU HB2 . . 4.650 4.323 4.115 4.520 . 0 0 "[ . 1 . 2]" 1
1020 1 52 LEU HA 1 52 LEU MD1 . . 4.070 3.890 3.832 3.934 . 0 0 "[ . 1 . 2]" 1
1021 1 52 LEU HA 1 52 LEU MD2 . . 2.880 2.145 2.006 2.384 . 0 0 "[ . 1 . 2]" 1
1022 1 52 LEU HA 1 52 LEU HG . . 3.550 3.076 2.955 3.203 . 0 0 "[ . 1 . 2]" 1
1023 1 52 LEU HB2 1 52 LEU MD1 . . 3.100 2.222 2.070 2.433 . 0 0 "[ . 1 . 2]" 1
1024 1 52 LEU HB2 1 52 LEU MD2 . . 3.310 3.183 3.159 3.195 . 0 0 "[ . 1 . 2]" 1
1025 1 52 LEU HB2 1 53 LEU H . . 3.370 2.905 2.748 3.047 . 0 0 "[ . 1 . 2]" 1
1026 1 52 LEU HB3 1 52 LEU MD1 . . 3.290 2.441 2.238 2.602 . 0 0 "[ . 1 . 2]" 1
1027 1 52 LEU HB3 1 52 LEU MD2 . . 3.280 2.290 2.157 2.390 . 0 0 "[ . 1 . 2]" 1
1028 1 52 LEU HB3 1 53 LEU H . . 4.120 3.887 3.794 4.021 . 0 0 "[ . 1 . 2]" 1
1029 1 52 LEU MD1 1 53 LEU H . . 4.890 4.672 4.443 4.891 0.001 12 0 "[ . 1 . 2]" 1
1030 1 52 LEU HG 1 53 LEU H . . 4.640 4.420 4.185 4.589 . 0 0 "[ . 1 . 2]" 1
1031 1 53 LEU H 1 53 LEU HB2 . . 3.040 2.249 2.204 2.301 . 0 0 "[ . 1 . 2]" 1
1032 1 53 LEU H 1 53 LEU HB3 . . 3.570 3.529 3.506 3.550 . 0 0 "[ . 1 . 2]" 1
1033 1 53 LEU H 1 53 LEU MD1 . . 3.940 3.434 3.222 3.753 . 0 0 "[ . 1 . 2]" 1
1034 1 53 LEU H 1 53 LEU MD2 . . 4.090 3.962 3.757 4.086 . 0 0 "[ . 1 . 2]" 1
1035 1 53 LEU H 1 53 LEU HG . . 3.570 2.768 2.640 2.886 . 0 0 "[ . 1 . 2]" 1
1036 1 53 LEU H 1 54 ARG H . . 4.740 4.642 4.630 4.647 . 0 0 "[ . 1 . 2]" 1
1037 1 53 LEU H 1 58 LYS HE2 . . 5.250 4.898 4.428 5.206 . 0 0 "[ . 1 . 2]" 1
1038 1 53 LEU H 1 58 LYS QE . . 4.400 4.003 3.736 4.253 . 0 0 "[ . 1 . 2]" 1
1039 1 53 LEU H 1 58 LYS HE3 . . 5.250 4.287 3.853 4.824 . 0 0 "[ . 1 . 2]" 1
1040 1 53 LEU HA 1 53 LEU MD1 . . 4.010 3.827 3.790 3.854 . 0 0 "[ . 1 . 2]" 1
1041 1 53 LEU HA 1 53 LEU MD2 . . 3.140 2.350 2.034 2.511 . 0 0 "[ . 1 . 2]" 1
1042 1 53 LEU HA 1 53 LEU HG . . 3.780 2.638 2.496 2.824 . 0 0 "[ . 1 . 2]" 1
1043 1 53 LEU HA 1 54 ARG H . . 2.800 2.350 2.272 2.425 . 0 0 "[ . 1 . 2]" 1
1044 1 53 LEU HA 1 57 GLU HB2 . . 4.980 3.922 3.776 4.110 . 0 0 "[ . 1 . 2]" 1
1045 1 53 LEU HA 1 57 GLU QG . . 5.170 3.369 3.002 3.842 . 0 0 "[ . 1 . 2]" 1
1046 1 53 LEU HA 1 58 LYS QE . . 5.340 4.932 4.775 5.101 . 0 0 "[ . 1 . 2]" 1
1047 1 53 LEU HB2 1 53 LEU MD1 . . 3.560 2.180 2.029 2.283 . 0 0 "[ . 1 . 2]" 1
1048 1 53 LEU HB2 1 53 LEU MD2 . . 3.570 3.152 3.124 3.178 . 0 0 "[ . 1 . 2]" 1
1049 1 53 LEU HB2 1 54 ARG H . . 4.110 3.930 3.767 4.102 . 0 0 "[ . 1 . 2]" 1
1050 1 53 LEU HB2 1 57 GLU HB2 . . 4.220 4.069 3.850 4.223 0.003 2 0 "[ . 1 . 2]" 1
1051 1 53 LEU HB2 1 58 LYS H . . 5.030 4.800 4.653 4.934 . 0 0 "[ . 1 . 2]" 1
1052 1 53 LEU HB2 1 58 LYS HE2 . . 4.430 3.482 2.902 4.227 . 0 0 "[ . 1 . 2]" 1
1053 1 53 LEU HB2 1 58 LYS QE . . 3.740 2.743 2.382 2.951 . 0 0 "[ . 1 . 2]" 1
1054 1 53 LEU HB2 1 58 LYS HE3 . . 4.430 3.001 2.399 3.617 . 0 0 "[ . 1 . 2]" 1
1055 1 53 LEU HB2 1 58 LYS HG2 . . 4.520 3.279 3.066 3.483 . 0 0 "[ . 1 . 2]" 1
1056 1 53 LEU HB2 1 58 LYS HG3 . . 4.170 3.911 3.635 4.130 . 0 0 "[ . 1 . 2]" 1
1057 1 53 LEU HB3 1 53 LEU MD1 . . 3.640 2.529 2.422 2.685 . 0 0 "[ . 1 . 2]" 1
1058 1 53 LEU HB3 1 53 LEU MD2 . . 3.460 2.175 2.094 2.322 . 0 0 "[ . 1 . 2]" 1
1059 1 53 LEU HB3 1 54 ARG H . . 3.680 2.598 2.412 2.846 . 0 0 "[ . 1 . 2]" 1
1060 1 53 LEU HB3 1 57 GLU H . . 4.750 4.646 4.463 4.743 . 0 0 "[ . 1 . 2]" 1
1061 1 53 LEU HB3 1 57 GLU HA . . 5.500 5.282 5.087 5.472 . 0 0 "[ . 1 . 2]" 1
1062 1 53 LEU HB3 1 57 GLU HB2 . . 4.010 2.328 2.130 2.488 . 0 0 "[ . 1 . 2]" 1
1063 1 53 LEU HB3 1 57 GLU HB3 . . 4.240 3.454 3.179 3.758 . 0 0 "[ . 1 . 2]" 1
1064 1 53 LEU HB3 1 58 LYS H . . 4.130 3.396 3.293 3.488 . 0 0 "[ . 1 . 2]" 1
1065 1 53 LEU HB3 1 58 LYS QE . . 4.160 3.380 3.105 3.643 . 0 0 "[ . 1 . 2]" 1
1066 1 53 LEU HB3 1 58 LYS HG2 . . 4.520 2.995 2.762 3.279 . 0 0 "[ . 1 . 2]" 1
1067 1 53 LEU HB3 1 58 LYS HG3 . . 3.990 3.157 2.902 3.435 . 0 0 "[ . 1 . 2]" 1
1068 1 53 LEU MD1 1 54 ARG H . . 4.660 4.569 4.353 4.656 . 0 0 "[ . 1 . 2]" 1
1069 1 53 LEU MD1 1 57 GLU HB2 . . 4.030 3.605 3.220 3.820 . 0 0 "[ . 1 . 2]" 1
1070 1 53 LEU MD1 1 57 GLU HB3 . . 4.260 3.532 3.171 3.954 . 0 0 "[ . 1 . 2]" 1
1071 1 53 LEU MD1 1 57 GLU QG . . 4.570 4.378 4.137 4.570 . 2 0 "[ . 1 . 2]" 1
1072 1 53 LEU MD1 1 58 LYS HA . . 4.270 3.712 3.357 4.062 . 0 0 "[ . 1 . 2]" 1
1073 1 53 LEU MD1 1 58 LYS HG2 . . 4.220 3.114 2.836 3.452 . 0 0 "[ . 1 . 2]" 1
1074 1 53 LEU MD1 1 58 LYS HG3 . . 4.570 4.257 4.036 4.523 . 0 0 "[ . 1 . 2]" 1
1075 1 53 LEU MD1 1 61 TYR QD . . 4.500 3.667 3.409 3.925 . 0 0 "[ . 1 . 2]" 1
1076 1 53 LEU MD1 1 61 TYR QE . . 3.890 3.402 3.057 3.808 . 0 0 "[ . 1 . 2]" 1
1077 1 53 LEU MD2 1 54 ARG H . . 3.990 2.589 2.425 2.814 . 0 0 "[ . 1 . 2]" 1
1078 1 53 LEU MD2 1 57 GLU H . . 4.320 4.256 4.158 4.320 . 0 0 "[ . 1 . 2]" 1
1079 1 53 LEU MD2 1 57 GLU HB2 . . 3.810 2.182 1.977 2.337 . 0 0 "[ . 1 . 2]" 1
1080 1 53 LEU MD2 1 57 GLU HB3 . . 3.600 1.970 1.877 2.129 . 0 0 "[ . 1 . 2]" 1
1081 1 53 LEU MD2 1 57 GLU QG . . 4.050 2.025 1.924 2.780 . 0 0 "[ . 1 . 2]" 1
1082 1 53 LEU MD2 1 58 LYS H . . 4.750 3.978 3.680 4.119 . 0 0 "[ . 1 . 2]" 1
1083 1 53 LEU MD2 1 58 LYS HA . . 4.820 4.552 4.204 4.817 . 0 0 "[ . 1 . 2]" 1
1084 1 53 LEU MD2 1 58 LYS HG2 . . 4.450 4.301 3.970 4.436 . 0 0 "[ . 1 . 2]" 1
1085 1 53 LEU MD2 1 61 TYR QD . . 4.220 3.613 3.410 3.903 . 0 0 "[ . 1 . 2]" 1
1086 1 53 LEU MD2 1 61 TYR QE . . 3.870 2.729 2.361 2.986 . 0 0 "[ . 1 . 2]" 1
1087 1 53 LEU HG 1 54 ARG H . . 4.910 4.441 4.270 4.577 . 0 0 "[ . 1 . 2]" 1
1088 1 53 LEU HG 1 57 GLU HB2 . . 5.180 4.602 4.531 4.694 . 0 0 "[ . 1 . 2]" 1
1089 1 53 LEU HG 1 57 GLU HB3 . . 4.900 4.723 4.590 4.902 0.002 2 0 "[ . 1 . 2]" 1
1090 1 53 LEU HG 1 57 GLU QG . . 5.500 4.551 4.383 5.430 . 0 0 "[ . 1 . 2]" 1
1091 1 53 LEU HG 1 61 TYR QE . . 5.500 5.368 5.028 5.496 . 0 0 "[ . 1 . 2]" 1
1092 1 54 ARG H 1 54 ARG HB2 . . 3.090 2.678 2.583 2.791 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ARG H 1 54 ARG HB3 . . 3.830 3.695 3.659 3.739 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ARG H 1 54 ARG QD . . 4.370 4.219 3.938 4.362 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ARG H 1 54 ARG HG2 . . 3.250 2.970 2.131 3.238 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ARG H 1 54 ARG HG3 . . 3.390 2.680 2.188 3.391 0.001 2 0 "[ . 1 . 2]" 1
1097 1 54 ARG H 1 55 GLU H . . 4.780 4.553 4.525 4.581 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ARG H 1 57 GLU H . . 4.440 3.552 3.371 3.675 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ARG H 1 57 GLU HB2 . . 3.940 2.574 2.410 2.721 . 0 0 "[ . 1 . 2]" 1
1100 1 54 ARG H 1 57 GLU HB3 . . 3.910 3.850 3.731 3.910 0.000 17 0 "[ . 1 . 2]" 1
1101 1 54 ARG H 1 57 GLU QG . . 4.070 2.090 1.930 2.331 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ARG H 1 58 LYS H . . 5.200 4.071 3.908 4.246 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ARG H 1 58 LYS HG3 . . 5.180 4.260 4.095 4.502 . 0 0 "[ . 1 . 2]" 1
1104 1 54 ARG HA 1 54 ARG QD . . 4.180 3.707 2.488 4.130 . 0 0 "[ . 1 . 2]" 1
1105 1 54 ARG HA 1 54 ARG HG2 . . 3.240 2.672 2.495 3.012 . 0 0 "[ . 1 . 2]" 1
1106 1 54 ARG HA 1 54 ARG HG3 . . 4.040 3.580 3.401 3.928 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ARG HA 1 55 GLU HA . . 4.720 4.293 4.290 4.299 . 0 0 "[ . 1 . 2]" 1
1108 1 54 ARG HB2 1 54 ARG QD . . 3.390 2.795 2.502 3.274 . 0 0 "[ . 1 . 2]" 1
1109 1 54 ARG HB2 1 55 GLU H . . 4.580 3.509 3.298 3.732 . 0 0 "[ . 1 . 2]" 1
1110 1 54 ARG HB2 1 56 GLU H . . 4.330 3.168 3.038 3.280 . 0 0 "[ . 1 . 2]" 1
1111 1 54 ARG HB2 1 56 GLU QG . . 5.500 4.228 1.966 5.376 . 0 0 "[ . 1 . 2]" 1
1112 1 54 ARG HB2 1 57 GLU H . . 3.630 2.759 2.628 2.895 . 0 0 "[ . 1 . 2]" 1
1113 1 54 ARG HB2 1 57 GLU HB2 . . 4.270 3.971 3.721 4.157 . 0 0 "[ . 1 . 2]" 1
1114 1 54 ARG HB2 1 57 GLU QG . . 3.670 2.359 2.021 2.790 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ARG HB3 1 54 ARG QD . . 3.470 2.276 2.115 2.631 . 0 0 "[ . 1 . 2]" 1
1116 1 54 ARG HB3 1 55 GLU H . . 4.440 2.606 2.384 2.878 . 0 0 "[ . 1 . 2]" 1
1117 1 54 ARG HB3 1 56 GLU H . . 4.070 3.332 3.118 3.588 . 0 0 "[ . 1 . 2]" 1
1118 1 54 ARG HB3 1 57 GLU H . . 4.320 4.158 3.974 4.316 . 0 0 "[ . 1 . 2]" 1
1119 1 54 ARG QD 1 57 GLU QG . . 4.490 4.107 3.490 4.488 . 0 0 "[ . 1 . 2]" 1
1120 1 54 ARG HG2 1 57 GLU QG . . 4.250 3.957 2.948 4.249 . 0 0 "[ . 1 . 2]" 1
1121 1 54 ARG HG3 1 57 GLU H . . 4.750 4.627 4.432 4.743 . 0 0 "[ . 1 . 2]" 1
1122 1 54 ARG HG3 1 57 GLU QG . . 4.060 2.964 2.741 3.225 . 0 0 "[ . 1 . 2]" 1
1123 1 55 GLU H 1 55 GLU QB . . 3.680 2.324 2.121 2.569 . 0 0 "[ . 1 . 2]" 1
1124 1 55 GLU H 1 55 GLU QG . . 4.200 3.047 1.947 4.043 . 0 0 "[ . 1 . 2]" 1
1125 1 55 GLU H 1 56 GLU H . . 4.620 2.942 2.860 3.115 . 0 0 "[ . 1 . 2]" 1
1126 1 55 GLU HA 1 55 GLU QG . . 3.630 2.382 2.173 2.631 . 0 0 "[ . 1 . 2]" 1
1127 1 55 GLU HA 1 57 GLU H . . 4.750 4.573 4.451 4.750 0.000 19 0 "[ . 1 . 2]" 1
1128 1 55 GLU HA 1 58 LYS H . . 3.910 3.684 3.635 3.759 . 0 0 "[ . 1 . 2]" 1
1129 1 55 GLU HA 1 58 LYS QB . . 3.500 2.873 2.698 3.036 . 0 0 "[ . 1 . 2]" 1
1130 1 55 GLU HA 1 58 LYS HD2 . . 3.900 3.151 2.946 3.318 . 0 0 "[ . 1 . 2]" 1
1131 1 55 GLU HA 1 58 LYS HD3 . . 4.720 4.594 4.404 4.705 . 0 0 "[ . 1 . 2]" 1
1132 1 55 GLU HA 1 58 LYS QE . . 4.770 4.582 4.238 4.758 . 0 0 "[ . 1 . 2]" 1
1133 1 55 GLU HA 1 58 LYS HG2 . . 4.810 4.635 4.385 4.737 . 0 0 "[ . 1 . 2]" 1
1134 1 55 GLU HA 1 58 LYS HG3 . . 3.890 2.975 2.673 3.113 . 0 0 "[ . 1 . 2]" 1
1135 1 55 GLU HA 1 59 GLU H . . 4.900 4.043 3.940 4.140 . 0 0 "[ . 1 . 2]" 1
1136 1 55 GLU QB 1 56 GLU H . . 3.330 2.458 2.311 2.623 . 0 0 "[ . 1 . 2]" 1
1137 1 55 GLU QB 1 56 GLU HA . . 4.340 3.857 3.776 4.122 . 0 0 "[ . 1 . 2]" 1
1138 1 55 GLU QG 1 58 LYS QB . . 5.500 4.267 3.755 4.949 . 0 0 "[ . 1 . 2]" 1
1139 1 55 GLU QG 1 58 LYS HD2 . . 5.200 4.201 3.692 5.080 . 0 0 "[ . 1 . 2]" 1
1140 1 56 GLU H 1 56 GLU QB . . 3.570 2.414 2.190 2.650 . 0 0 "[ . 1 . 2]" 1
1141 1 56 GLU H 1 56 GLU QG . . 4.170 2.669 1.886 4.050 . 0 0 "[ . 1 . 2]" 1
1142 1 56 GLU H 1 57 GLU H . . 3.670 2.846 2.772 2.907 . 0 0 "[ . 1 . 2]" 1
1143 1 56 GLU H 1 58 LYS H . . 4.930 4.477 4.389 4.564 . 0 0 "[ . 1 . 2]" 1
1144 1 56 GLU HA 1 56 GLU QG . . 3.300 2.656 2.233 3.329 0.029 3 0 "[ . 1 . 2]" 1
1145 1 56 GLU HA 1 58 LYS H . . 4.890 4.845 4.781 4.888 . 0 0 "[ . 1 . 2]" 1
1146 1 56 GLU HA 1 59 GLU H . . 3.820 3.741 3.660 3.806 . 0 0 "[ . 1 . 2]" 1
1147 1 56 GLU HA 1 59 GLU QB . . 3.420 2.923 2.749 3.045 . 0 0 "[ . 1 . 2]" 1
1148 1 56 GLU QB 1 57 GLU H . . 3.700 2.470 2.306 3.242 . 0 0 "[ . 1 . 2]" 1
1149 1 56 GLU QB 1 57 GLU HA . . 4.150 3.896 3.791 4.150 . 0 0 "[ . 1 . 2]" 1
1150 1 56 GLU QG 1 57 GLU H . . 4.180 3.719 1.896 4.172 . 0 0 "[ . 1 . 2]" 1
1151 1 57 GLU H 1 57 GLU HB2 . . 3.920 2.661 2.613 2.747 . 0 0 "[ . 1 . 2]" 1
1152 1 57 GLU H 1 57 GLU HB3 . . 3.650 3.584 3.570 3.590 . 0 0 "[ . 1 . 2]" 1
1153 1 57 GLU H 1 57 GLU QG . . 2.940 2.009 1.886 2.182 . 0 0 "[ . 1 . 2]" 1
1154 1 57 GLU H 1 58 LYS H . . 3.020 2.851 2.800 2.923 . 0 0 "[ . 1 . 2]" 1
1155 1 57 GLU H 1 58 LYS HG3 . . 4.530 4.399 4.265 4.519 . 0 0 "[ . 1 . 2]" 1
1156 1 57 GLU H 1 59 GLU H . . 4.400 4.231 4.013 4.350 . 0 0 "[ . 1 . 2]" 1
1157 1 57 GLU HA 1 57 GLU QG . . 3.250 2.995 2.492 3.200 . 0 0 "[ . 1 . 2]" 1
1158 1 57 GLU HA 1 59 GLU H . . 4.530 4.472 4.161 4.529 . 0 0 "[ . 1 . 2]" 1
1159 1 57 GLU HA 1 60 LYS H . . 3.880 3.499 3.346 3.621 . 0 0 "[ . 1 . 2]" 1
1160 1 57 GLU HA 1 60 LYS HB2 . . 4.220 3.752 3.440 3.931 . 0 0 "[ . 1 . 2]" 1
1161 1 57 GLU HA 1 60 LYS HB3 . . 4.370 2.662 2.515 2.732 . 0 0 "[ . 1 . 2]" 1
1162 1 57 GLU HA 1 60 LYS HG3 . . 5.500 5.408 5.180 5.501 0.001 17 0 "[ . 1 . 2]" 1
1163 1 57 GLU HB2 1 58 LYS H . . 3.400 2.268 2.209 2.314 . 0 0 "[ . 1 . 2]" 1
1164 1 57 GLU HB3 1 58 LYS H . . 3.820 3.506 3.430 3.599 . 0 0 "[ . 1 . 2]" 1
1165 1 57 GLU QG 1 58 LYS H . . 4.230 3.739 3.630 3.814 . 0 0 "[ . 1 . 2]" 1
1166 1 58 LYS H 1 58 LYS QB . . 2.940 2.585 2.524 2.645 . 0 0 "[ . 1 . 2]" 1
1167 1 58 LYS H 1 58 LYS HD2 . . 4.340 4.290 4.205 4.340 . 0 0 "[ . 1 . 2]" 1
1168 1 58 LYS H 1 58 LYS HD3 . . 4.840 4.659 4.609 4.715 . 0 0 "[ . 1 . 2]" 1
1169 1 58 LYS H 1 58 LYS QE . . 5.140 4.379 4.307 4.447 . 0 0 "[ . 1 . 2]" 1
1170 1 58 LYS H 1 58 LYS HG2 . . 3.850 2.839 2.644 2.973 . 0 0 "[ . 1 . 2]" 1
1171 1 58 LYS H 1 58 LYS HG3 . . 3.260 2.131 2.031 2.218 . 0 0 "[ . 1 . 2]" 1
1172 1 58 LYS H 1 60 LYS H . . 4.650 4.348 4.176 4.498 . 0 0 "[ . 1 . 2]" 1
1173 1 58 LYS HA 1 58 LYS HD2 . . 5.030 4.769 4.733 4.836 . 0 0 "[ . 1 . 2]" 1
1174 1 58 LYS HA 1 58 LYS HD3 . . 4.870 4.065 3.987 4.153 . 0 0 "[ . 1 . 2]" 1
1175 1 58 LYS HA 1 58 LYS QE . . 5.340 4.390 4.268 4.580 . 0 0 "[ . 1 . 2]" 1
1176 1 58 LYS HA 1 58 LYS HG2 . . 3.680 2.496 2.434 2.572 . 0 0 "[ . 1 . 2]" 1
1177 1 58 LYS HA 1 58 LYS HG3 . . 3.810 3.379 3.303 3.479 . 0 0 "[ . 1 . 2]" 1
1178 1 58 LYS HA 1 61 TYR H . . 4.120 3.706 3.516 3.856 . 0 0 "[ . 1 . 2]" 1
1179 1 58 LYS HA 1 61 TYR HB2 . . 4.160 2.911 2.795 3.111 . 0 0 "[ . 1 . 2]" 1
1180 1 58 LYS HA 1 62 ALA H . . 4.250 4.210 4.074 4.249 . 0 0 "[ . 1 . 2]" 1
1181 1 58 LYS QB 1 58 LYS HD2 . . 3.520 2.620 2.512 2.712 . 0 0 "[ . 1 . 2]" 1
1182 1 58 LYS QB 1 58 LYS HD3 . . 3.550 2.164 2.104 2.259 . 0 0 "[ . 1 . 2]" 1
1183 1 58 LYS QB 1 59 GLU H . . 3.530 2.448 2.385 2.697 . 0 0 "[ . 1 . 2]" 1
1184 1 58 LYS QE 1 58 LYS HG3 . . 3.440 2.660 2.527 2.866 . 0 0 "[ . 1 . 2]" 1
1185 1 58 LYS HE2 1 58 LYS HG2 . . 4.000 2.644 2.257 3.486 . 0 0 "[ . 1 . 2]" 1
1186 1 58 LYS HE3 1 58 LYS HG2 . . 4.000 2.676 2.185 3.048 . 0 0 "[ . 1 . 2]" 1
1187 1 58 LYS HG3 1 59 GLU H . . 4.770 4.104 3.958 4.214 . 0 0 "[ . 1 . 2]" 1
1188 1 59 GLU H 1 59 GLU HB2 . . 3.640 2.299 2.190 2.417 . 0 0 "[ . 1 . 2]" 1
1189 1 59 GLU H 1 59 GLU QB . . 2.910 2.198 2.131 2.270 . 0 0 "[ . 1 . 2]" 1
1190 1 59 GLU H 1 59 GLU HB3 . . 3.640 2.854 2.635 3.550 . 0 0 "[ . 1 . 2]" 1
1191 1 59 GLU H 1 59 GLU QG . . 4.060 3.802 2.599 4.060 . 6 0 "[ . 1 . 2]" 1
1192 1 59 GLU H 1 60 LYS H . . 3.430 2.744 2.573 2.833 . 0 0 "[ . 1 . 2]" 1
1193 1 59 GLU H 1 61 TYR H . . 4.600 4.383 4.082 4.478 . 0 0 "[ . 1 . 2]" 1
1194 1 59 GLU H 1 62 ALA H . . 4.810 4.770 4.668 4.811 0.001 19 0 "[ . 1 . 2]" 1
1195 1 59 GLU H 1 62 ALA MB . . 4.590 4.553 4.471 4.590 0.000 19 0 "[ . 1 . 2]" 1
1196 1 59 GLU HA 1 59 GLU QG . . 3.650 2.387 2.211 2.836 . 0 0 "[ . 1 . 2]" 1
1197 1 59 GLU HA 1 61 TYR H . . 4.810 4.641 4.387 4.741 . 0 0 "[ . 1 . 2]" 1
1198 1 59 GLU HA 1 62 ALA H . . 3.530 3.508 3.446 3.535 0.005 10 0 "[ . 1 . 2]" 1
1199 1 59 GLU HA 1 62 ALA MB . . 3.080 2.584 2.426 2.699 . 0 0 "[ . 1 . 2]" 1
1200 1 59 GLU HA 1 63 GLU H . . 4.720 4.002 3.649 4.191 . 0 0 "[ . 1 . 2]" 1
1201 1 59 GLU QB 1 60 LYS H . . 3.380 2.458 2.284 2.672 . 0 0 "[ . 1 . 2]" 1
1202 1 59 GLU QB 1 60 LYS HA . . 4.940 3.893 3.785 4.006 . 0 0 "[ . 1 . 2]" 1
1203 1 59 GLU HB2 1 60 LYS H . . 3.850 3.529 2.553 3.746 . 0 0 "[ . 1 . 2]" 1
1204 1 59 GLU HB3 1 60 LYS H . . 3.850 2.573 2.309 3.244 . 0 0 "[ . 1 . 2]" 1
1205 1 59 GLU QG 1 60 LYS H . . 4.400 4.001 3.624 4.362 . 0 0 "[ . 1 . 2]" 1
1206 1 59 GLU QG 1 62 ALA MB . . 4.240 3.815 3.599 4.155 . 0 0 "[ . 1 . 2]" 1
1207 1 60 LYS H 1 60 LYS HB2 . . 3.150 2.750 2.649 2.913 . 0 0 "[ . 1 . 2]" 1
1208 1 60 LYS H 1 60 LYS HB3 . . 3.280 2.318 2.202 2.402 . 0 0 "[ . 1 . 2]" 1
1209 1 60 LYS H 1 60 LYS HG2 . . 4.530 4.283 4.128 4.365 . 0 0 "[ . 1 . 2]" 1
1210 1 60 LYS H 1 60 LYS HG3 . . 4.590 4.558 4.534 4.576 . 0 0 "[ . 1 . 2]" 1
1211 1 60 LYS H 1 61 TYR H . . 3.340 2.844 2.633 2.974 . 0 0 "[ . 1 . 2]" 1
1212 1 60 LYS H 1 62 ALA H . . 4.410 4.143 3.946 4.320 . 0 0 "[ . 1 . 2]" 1
1213 1 60 LYS H 1 63 GLU H . . 5.020 4.677 4.596 4.791 . 0 0 "[ . 1 . 2]" 1
1214 1 60 LYS HA 1 60 LYS HD2 . . 5.220 4.700 4.447 4.963 . 0 0 "[ . 1 . 2]" 1
1215 1 60 LYS HA 1 60 LYS HD3 . . 5.220 4.677 4.397 5.021 . 0 0 "[ . 1 . 2]" 1
1216 1 60 LYS HA 1 60 LYS HG3 . . 3.950 2.839 2.773 2.906 . 0 0 "[ . 1 . 2]" 1
1217 1 60 LYS HA 1 63 GLU H . . 3.880 3.523 3.422 3.723 . 0 0 "[ . 1 . 2]" 1
1218 1 60 LYS HA 1 63 GLU QB . . 3.940 2.854 2.552 3.902 . 0 0 "[ . 1 . 2]" 1
1219 1 60 LYS HA 1 64 MET H . . 4.340 4.024 3.779 4.149 . 0 0 "[ . 1 . 2]" 1
1220 1 60 LYS HA 1 64 MET HG2 . . 5.500 4.978 4.715 5.222 . 0 0 "[ . 1 . 2]" 1
1221 1 60 LYS HB2 1 60 LYS QD . . 3.050 2.447 2.339 3.034 . 0 0 "[ . 1 . 2]" 1
1222 1 60 LYS HB2 1 61 TYR H . . 4.330 3.906 3.844 4.049 . 0 0 "[ . 1 . 2]" 1
1223 1 60 LYS HB3 1 60 LYS QE . . 4.970 3.234 2.146 4.115 . 0 0 "[ . 1 . 2]" 1
1224 1 60 LYS HB3 1 61 TYR H . . 3.720 2.527 2.430 2.754 . 0 0 "[ . 1 . 2]" 1
1225 1 60 LYS HB3 1 61 TYR HA . . 5.140 4.520 4.402 4.679 . 0 0 "[ . 1 . 2]" 1
1226 1 60 LYS HB3 1 61 TYR QD . . 4.770 3.539 3.286 3.846 . 0 0 "[ . 1 . 2]" 1
1227 1 60 LYS HB3 1 61 TYR QE . . 5.270 4.815 4.516 5.115 . 0 0 "[ . 1 . 2]" 1
1228 1 60 LYS HB3 1 62 ALA H . . 5.290 4.949 4.845 5.053 . 0 0 "[ . 1 . 2]" 1
1229 1 60 LYS HD2 1 61 TYR QE . . 5.500 5.328 3.522 5.501 0.001 6 0 "[ . 1 . 2]" 1
1230 1 60 LYS HD3 1 61 TYR QE . . 5.500 4.561 3.737 5.477 . 0 0 "[ . 1 . 2]" 1
1231 1 60 LYS QE 1 61 TYR QE . . 4.800 3.876 2.700 4.798 . 0 0 "[ . 1 . 2]" 1
1232 1 60 LYS HG2 1 61 TYR H . . 4.300 3.028 2.806 3.412 . 0 0 "[ . 1 . 2]" 1
1233 1 60 LYS HG2 1 61 TYR QD . . 4.710 3.997 3.661 4.335 . 0 0 "[ . 1 . 2]" 1
1234 1 60 LYS HG2 1 61 TYR QE . . 5.050 4.889 4.564 5.046 . 0 0 "[ . 1 . 2]" 1
1235 1 60 LYS HG2 1 64 MET ME . . 4.570 3.126 1.852 4.554 . 0 0 "[ . 1 . 2]" 1
1236 1 60 LYS HG3 1 61 TYR H . . 4.640 4.323 4.141 4.641 0.001 17 0 "[ . 1 . 2]" 1
1237 1 60 LYS HG3 1 64 MET ME . . 4.990 3.905 2.800 4.983 . 0 0 "[ . 1 . 2]" 1
1238 1 61 TYR H 1 61 TYR HB2 . . 3.420 2.245 2.188 2.288 . 0 0 "[ . 1 . 2]" 1
1239 1 61 TYR H 1 61 TYR QD . . 2.990 2.544 2.366 2.809 . 0 0 "[ . 1 . 2]" 1
1240 1 61 TYR H 1 62 ALA H . . 3.100 2.712 2.536 2.782 . 0 0 "[ . 1 . 2]" 1
1241 1 61 TYR H 1 62 ALA MB . . 4.420 4.297 4.136 4.372 . 0 0 "[ . 1 . 2]" 1
1242 1 61 TYR H 1 63 GLU H . . 4.350 4.199 4.060 4.335 . 0 0 "[ . 1 . 2]" 1
1243 1 61 TYR HA 1 61 TYR QD . . 3.550 2.900 2.772 3.008 . 0 0 "[ . 1 . 2]" 1
1244 1 61 TYR HA 1 61 TYR QE . . 4.800 4.494 4.445 4.534 . 0 0 "[ . 1 . 2]" 1
1245 1 61 TYR HA 1 63 GLU H . . 4.710 4.475 4.276 4.716 0.006 17 0 "[ . 1 . 2]" 1
1246 1 61 TYR HA 1 64 MET H . . 3.960 3.762 3.686 3.821 . 0 0 "[ . 1 . 2]" 1
1247 1 61 TYR HA 1 64 MET HB3 . . 4.500 4.073 3.672 4.330 . 0 0 "[ . 1 . 2]" 1
1248 1 61 TYR HA 1 64 MET ME . . 4.370 2.915 1.990 4.065 . 0 0 "[ . 1 . 2]" 1
1249 1 61 TYR HA 1 64 MET HG2 . . 3.820 2.060 1.998 2.289 . 0 0 "[ . 1 . 2]" 1
1250 1 61 TYR HA 1 64 MET HG3 . . 4.640 3.291 3.027 3.564 . 0 0 "[ . 1 . 2]" 1
1251 1 61 TYR HA 1 65 ALA H . . 4.380 4.134 3.774 4.288 . 0 0 "[ . 1 . 2]" 1
1252 1 61 TYR HA 1 65 ALA MB . . 5.500 4.397 4.195 4.604 . 0 0 "[ . 1 . 2]" 1
1253 1 61 TYR HB2 1 62 ALA H . . 3.810 2.791 2.669 2.985 . 0 0 "[ . 1 . 2]" 1
1254 1 61 TYR HB2 1 62 ALA MB . . 5.140 4.157 4.085 4.296 . 0 0 "[ . 1 . 2]" 1
1255 1 61 TYR HB2 1 64 MET HG2 . . 5.500 4.859 4.782 5.022 . 0 0 "[ . 1 . 2]" 1
1256 1 61 TYR HB3 1 62 ALA H . . 3.820 3.374 3.224 3.526 . 0 0 "[ . 1 . 2]" 1
1257 1 61 TYR QD 1 62 ALA H . . 4.740 4.465 4.401 4.607 . 0 0 "[ . 1 . 2]" 1
1258 1 61 TYR QE 1 64 MET ME . . 4.110 3.778 3.085 4.103 . 0 0 "[ . 1 . 2]" 1
1259 1 62 ALA H 1 62 ALA MB . . 3.030 2.054 2.029 2.114 . 0 0 "[ . 1 . 2]" 1
1260 1 62 ALA H 1 63 GLU H . . 3.290 2.630 2.540 2.723 . 0 0 "[ . 1 . 2]" 1
1261 1 62 ALA H 1 64 MET H . . 4.690 4.366 4.059 4.525 . 0 0 "[ . 1 . 2]" 1
1262 1 62 ALA H 1 65 ALA H . . 5.180 4.683 4.587 4.772 . 0 0 "[ . 1 . 2]" 1
1263 1 62 ALA H 1 65 ALA MB . . 5.500 4.456 4.367 4.550 . 0 0 "[ . 1 . 2]" 1
1264 1 62 ALA HA 1 64 MET H . . 4.880 4.751 4.552 4.874 . 0 0 "[ . 1 . 2]" 1
1265 1 62 ALA HA 1 65 ALA H . . 3.770 3.541 3.439 3.731 . 0 0 "[ . 1 . 2]" 1
1266 1 62 ALA HA 1 65 ALA MB . . 3.130 2.482 2.288 2.665 . 0 0 "[ . 1 . 2]" 1
1267 1 62 ALA HA 1 66 ARG H . . 4.440 3.936 3.820 4.125 . 0 0 "[ . 1 . 2]" 1
1268 1 62 ALA MB 1 63 GLU H . . 3.270 2.677 2.563 2.784 . 0 0 "[ . 1 . 2]" 1
1269 1 62 ALA MB 1 63 GLU HA . . 4.360 3.714 3.678 3.779 . 0 0 "[ . 1 . 2]" 1
1270 1 62 ALA MB 1 64 MET H . . 5.040 4.744 4.536 4.845 . 0 0 "[ . 1 . 2]" 1
1271 1 62 ALA MB 1 66 ARG QD . . 5.420 3.592 2.801 4.439 . 0 0 "[ . 1 . 2]" 1
1272 1 63 GLU H 1 63 GLU HB2 . . 3.520 2.480 2.198 3.592 0.072 17 0 "[ . 1 . 2]" 1
1273 1 63 GLU H 1 63 GLU QB . . 2.980 2.245 2.147 2.544 . 0 0 "[ . 1 . 2]" 1
1274 1 63 GLU H 1 63 GLU HB3 . . 3.520 2.827 2.419 3.520 0.000 13 0 "[ . 1 . 2]" 1
1275 1 63 GLU H 1 63 GLU QG . . 4.070 3.523 1.966 4.038 . 0 0 "[ . 1 . 2]" 1
1276 1 63 GLU H 1 64 MET H . . 3.410 2.775 2.666 2.851 . 0 0 "[ . 1 . 2]" 1
1277 1 63 GLU H 1 65 ALA H . . 4.540 3.938 3.833 4.183 . 0 0 "[ . 1 . 2]" 1
1278 1 63 GLU HA 1 63 GLU QG . . 3.410 2.493 2.203 3.448 0.038 17 0 "[ . 1 . 2]" 1
1279 1 63 GLU HA 1 65 ALA MB . . 5.500 4.864 4.778 5.000 . 0 0 "[ . 1 . 2]" 1
1280 1 63 GLU HA 1 66 ARG H . . 3.910 3.749 3.552 3.890 . 0 0 "[ . 1 . 2]" 1
1281 1 63 GLU HA 1 66 ARG QB . . 4.230 3.565 2.858 4.245 0.015 13 0 "[ . 1 . 2]" 1
1282 1 63 GLU HA 1 66 ARG QD . . 4.520 3.004 1.974 4.496 . 0 0 "[ . 1 . 2]" 1
1283 1 63 GLU HA 1 66 ARG QG . . 4.030 3.138 2.208 4.020 . 0 0 "[ . 1 . 2]" 1
1284 1 63 GLU HA 1 67 GLU H . . 4.370 3.912 3.664 4.276 . 0 0 "[ . 1 . 2]" 1
1285 1 63 GLU QB 1 64 MET H . . 3.360 2.428 2.231 3.349 . 0 0 "[ . 1 . 2]" 1
1286 1 63 GLU HB2 1 64 MET H . . 3.850 3.415 2.541 3.782 . 0 0 "[ . 1 . 2]" 1
1287 1 63 GLU HB3 1 64 MET H . . 3.850 2.625 2.252 3.857 0.007 17 0 "[ . 1 . 2]" 1
1288 1 63 GLU QG 1 64 MET H . . 4.440 3.610 1.889 4.304 . 0 0 "[ . 1 . 2]" 1
1289 1 64 MET H 1 64 MET HB2 . . 3.690 3.582 3.558 3.592 . 0 0 "[ . 1 . 2]" 1
1290 1 64 MET H 1 64 MET HB3 . . 3.260 2.466 2.313 2.640 . 0 0 "[ . 1 . 2]" 1
1291 1 64 MET H 1 64 MET HG2 . . 3.360 2.328 1.908 2.607 . 0 0 "[ . 1 . 2]" 1
1292 1 64 MET H 1 64 MET HG3 . . 3.770 3.304 2.951 3.708 . 0 0 "[ . 1 . 2]" 1
1293 1 64 MET H 1 65 ALA H . . 3.310 2.652 2.584 2.742 . 0 0 "[ . 1 . 2]" 1
1294 1 64 MET H 1 65 ALA MB . . 5.190 4.284 4.190 4.381 . 0 0 "[ . 1 . 2]" 1
1295 1 64 MET H 1 66 ARG H . . 4.660 4.557 4.358 4.668 0.008 7 0 "[ . 1 . 2]" 1
1296 1 64 MET HA 1 64 MET HG2 . . 3.940 3.827 3.656 3.932 . 0 0 "[ . 1 . 2]" 1
1297 1 64 MET HA 1 64 MET HG3 . . 3.870 3.679 3.572 3.845 . 0 0 "[ . 1 . 2]" 1
1298 1 64 MET HA 1 66 ARG H . . 5.000 4.826 4.493 5.002 0.002 7 0 "[ . 1 . 2]" 1
1299 1 64 MET HA 1 67 GLU H . . 4.110 3.912 3.474 4.102 . 0 0 "[ . 1 . 2]" 1
1300 1 64 MET HA 1 67 GLU QB . . 3.880 3.103 2.646 3.818 . 0 0 "[ . 1 . 2]" 1
1301 1 64 MET HA 1 67 GLU HG2 . . 4.580 3.449 1.994 4.565 . 0 0 "[ . 1 . 2]" 1
1302 1 64 MET HA 1 67 GLU QG . . 3.760 3.038 1.978 3.763 0.003 17 0 "[ . 1 . 2]" 1
1303 1 64 MET HA 1 67 GLU HG3 . . 4.580 3.715 3.022 4.353 . 0 0 "[ . 1 . 2]" 1
1304 1 64 MET HA 1 68 TRP H . . 4.470 3.890 3.641 4.218 . 0 0 "[ . 1 . 2]" 1
1305 1 64 MET HB2 1 64 MET ME . . 3.950 2.778 1.988 3.586 . 0 0 "[ . 1 . 2]" 1
1306 1 64 MET HB2 1 65 ALA H . . 4.810 3.906 3.798 4.006 . 0 0 "[ . 1 . 2]" 1
1307 1 64 MET HB2 1 68 TRP H . . 5.500 5.070 4.942 5.302 . 0 0 "[ . 1 . 2]" 1
1308 1 64 MET HB3 1 64 MET ME . . 4.030 2.658 1.979 3.175 . 0 0 "[ . 1 . 2]" 1
1309 1 64 MET HB3 1 65 ALA H . . 4.540 3.935 3.677 4.099 . 0 0 "[ . 1 . 2]" 1
1310 1 64 MET ME 1 65 ALA H . . 5.500 4.668 4.357 4.917 . 0 0 "[ . 1 . 2]" 1
1311 1 64 MET HG2 1 65 ALA H . . 3.480 2.712 2.055 3.123 . 0 0 "[ . 1 . 2]" 1
1312 1 64 MET HG2 1 65 ALA HA . . 5.500 4.668 4.138 5.080 . 0 0 "[ . 1 . 2]" 1
1313 1 64 MET HG2 1 65 ALA MB . . 4.130 3.835 3.385 4.128 . 0 0 "[ . 1 . 2]" 1
1314 1 64 MET HG3 1 65 ALA H . . 3.890 2.352 2.016 2.769 . 0 0 "[ . 1 . 2]" 1
1315 1 64 MET HG3 1 65 ALA HA . . 3.950 3.242 2.921 3.585 . 0 0 "[ . 1 . 2]" 1
1316 1 65 ALA H 1 65 ALA MB . . 2.960 2.146 2.034 2.240 . 0 0 "[ . 1 . 2]" 1
1317 1 65 ALA H 1 66 ARG H . . 3.260 2.764 2.642 2.856 . 0 0 "[ . 1 . 2]" 1
1318 1 65 ALA H 1 66 ARG QB . . 5.340 4.809 4.507 5.101 . 0 0 "[ . 1 . 2]" 1
1319 1 65 ALA H 1 67 GLU H . . 4.540 4.285 3.999 4.377 . 0 0 "[ . 1 . 2]" 1
1320 1 65 ALA H 1 68 TRP H . . 4.870 4.594 4.475 4.760 . 0 0 "[ . 1 . 2]" 1
1321 1 65 ALA HA 1 68 TRP H . . 3.810 3.713 3.532 3.827 0.017 7 0 "[ . 1 . 2]" 1
1322 1 65 ALA HA 1 68 TRP HB2 . . 4.130 3.726 3.385 4.093 . 0 0 "[ . 1 . 2]" 1
1323 1 65 ALA HA 1 68 TRP QB . . 3.530 2.686 2.491 2.844 . 0 0 "[ . 1 . 2]" 1
1324 1 65 ALA HA 1 68 TRP HB3 . . 4.130 2.756 2.564 2.923 . 0 0 "[ . 1 . 2]" 1
1325 1 65 ALA HA 1 68 TRP HE3 . . 4.330 3.555 3.315 3.820 . 0 0 "[ . 1 . 2]" 1
1326 1 65 ALA HA 1 69 ARG H . . 4.410 4.165 4.017 4.310 . 0 0 "[ . 1 . 2]" 1
1327 1 65 ALA MB 1 66 ARG H . . 3.280 2.339 2.157 2.639 . 0 0 "[ . 1 . 2]" 1
1328 1 65 ALA MB 1 66 ARG HA . . 4.240 3.707 3.628 3.789 . 0 0 "[ . 1 . 2]" 1
1329 1 65 ALA MB 1 67 GLU H . . 5.300 4.592 4.461 4.670 . 0 0 "[ . 1 . 2]" 1
1330 1 65 ALA MB 1 68 TRP H . . 4.850 4.641 4.549 4.719 . 0 0 "[ . 1 . 2]" 1
1331 1 65 ALA MB 1 68 TRP QB . . 4.980 4.024 3.834 4.197 . 0 0 "[ . 1 . 2]" 1
1332 1 65 ALA MB 1 69 ARG H . . 4.720 4.674 4.608 4.722 0.002 13 0 "[ . 1 . 2]" 1
1333 1 66 ARG H 1 66 ARG HB2 . . 3.720 2.950 2.296 3.589 . 0 0 "[ . 1 . 2]" 1
1334 1 66 ARG H 1 66 ARG QB . . 2.980 2.459 2.269 2.568 . 0 0 "[ . 1 . 2]" 1
1335 1 66 ARG H 1 66 ARG HB3 . . 3.720 3.139 2.576 3.588 . 0 0 "[ . 1 . 2]" 1
1336 1 66 ARG H 1 66 ARG QD . . 4.460 3.637 1.875 4.263 . 0 0 "[ . 1 . 2]" 1
1337 1 66 ARG H 1 66 ARG QG . . 3.280 2.197 1.909 3.296 0.016 18 0 "[ . 1 . 2]" 1
1338 1 66 ARG H 1 67 GLU H . . 3.300 2.851 2.594 2.931 . 0 0 "[ . 1 . 2]" 1
1339 1 66 ARG HA 1 66 ARG QG . . 3.580 2.828 2.267 3.342 . 0 0 "[ . 1 . 2]" 1
1340 1 66 ARG HA 1 69 ARG H . . 4.410 3.572 3.445 3.784 . 0 0 "[ . 1 . 2]" 1
1341 1 66 ARG QB 1 66 ARG QD . . 3.360 2.232 2.078 2.561 . 0 0 "[ . 1 . 2]" 1
1342 1 66 ARG QB 1 67 GLU H . . 3.070 2.700 2.278 3.122 0.052 12 0 "[ . 1 . 2]" 1
1343 1 66 ARG QB 1 68 TRP H . . 5.340 4.697 4.395 5.019 . 0 0 "[ . 1 . 2]" 1
1344 1 66 ARG HB2 1 67 GLU H . . 3.750 2.822 2.327 3.334 . 0 0 "[ . 1 . 2]" 1
1345 1 66 ARG HB3 1 67 GLU H . . 3.750 3.529 3.074 3.763 0.013 12 0 "[ . 1 . 2]" 1
1346 1 66 ARG QG 1 67 GLU H . . 4.280 3.043 1.762 4.268 . 0 0 "[ . 1 . 2]" 1
1347 1 67 GLU H 1 67 GLU QB . . 3.270 2.402 2.203 2.533 . 0 0 "[ . 1 . 2]" 1
1348 1 67 GLU H 1 67 GLU HG2 . . 3.810 2.396 2.064 3.627 . 0 0 "[ . 1 . 2]" 1
1349 1 67 GLU H 1 67 GLU HG3 . . 3.810 3.531 2.148 3.811 0.001 15 0 "[ . 1 . 2]" 1
1350 1 67 GLU H 1 68 TRP H . . 3.320 2.762 2.628 2.861 . 0 0 "[ . 1 . 2]" 1
1351 1 67 GLU H 1 68 TRP HB2 . . 5.370 5.286 5.100 5.372 0.002 17 0 "[ . 1 . 2]" 1
1352 1 67 GLU H 1 68 TRP QB . . 4.720 4.499 4.366 4.597 . 0 0 "[ . 1 . 2]" 1
1353 1 67 GLU H 1 68 TRP HB3 . . 5.370 4.874 4.678 4.999 . 0 0 "[ . 1 . 2]" 1
1354 1 67 GLU H 1 70 ALA MB . . 4.930 4.592 4.436 4.720 . 0 0 "[ . 1 . 2]" 1
1355 1 67 GLU HA 1 67 GLU HG2 . . 3.950 3.240 2.582 3.848 . 0 0 "[ . 1 . 2]" 1
1356 1 67 GLU HA 1 67 GLU QG . . 3.420 2.990 2.527 3.337 . 0 0 "[ . 1 . 2]" 1
1357 1 67 GLU HA 1 67 GLU HG3 . . 3.950 3.659 2.810 3.794 . 0 0 "[ . 1 . 2]" 1
1358 1 67 GLU HA 1 70 ALA H . . 3.790 3.596 3.482 3.706 . 0 0 "[ . 1 . 2]" 1
1359 1 67 GLU HA 1 70 ALA MB . . 3.180 2.659 2.399 2.942 . 0 0 "[ . 1 . 2]" 1
1360 1 67 GLU HA 1 71 ALA H . . 4.130 3.939 3.773 4.127 . 0 0 "[ . 1 . 2]" 1
1361 1 67 GLU QB 1 68 TRP H . . 3.490 2.899 2.503 3.486 . 0 0 "[ . 1 . 2]" 1
1362 1 67 GLU QB 1 68 TRP HA . . 4.510 4.084 3.849 4.540 0.030 7 0 "[ . 1 . 2]" 1
1363 1 67 GLU QG 1 68 TRP H . . 4.380 3.411 2.012 4.255 . 0 0 "[ . 1 . 2]" 1
1364 1 68 TRP H 1 68 TRP HB2 . . 3.130 2.664 2.581 2.750 . 0 0 "[ . 1 . 2]" 1
1365 1 68 TRP H 1 68 TRP HB3 . . 3.130 2.408 2.329 2.478 . 0 0 "[ . 1 . 2]" 1
1366 1 68 TRP H 1 68 TRP HD1 . . 5.360 5.051 4.946 5.141 . 0 0 "[ . 1 . 2]" 1
1367 1 68 TRP H 1 68 TRP HE3 . . 4.860 4.520 4.331 4.696 . 0 0 "[ . 1 . 2]" 1
1368 1 68 TRP H 1 69 ARG H . . 3.370 2.743 2.682 2.895 . 0 0 "[ . 1 . 2]" 1
1369 1 68 TRP H 1 70 ALA H . . 4.300 4.105 3.991 4.297 . 0 0 "[ . 1 . 2]" 1
1370 1 68 TRP H 1 71 ALA H . . 5.240 4.778 4.670 4.966 . 0 0 "[ . 1 . 2]" 1
1371 1 68 TRP HA 1 68 TRP HD1 . . 4.010 2.952 2.786 3.071 . 0 0 "[ . 1 . 2]" 1
1372 1 68 TRP HA 1 68 TRP HE3 . . 5.090 4.847 4.751 4.939 . 0 0 "[ . 1 . 2]" 1
1373 1 68 TRP HA 1 70 ALA H . . 5.060 4.487 4.359 4.762 . 0 0 "[ . 1 . 2]" 1
1374 1 68 TRP HA 1 71 ALA H . . 4.130 3.687 3.549 3.998 . 0 0 "[ . 1 . 2]" 1
1375 1 68 TRP HA 1 71 ALA MB . . 3.670 3.036 2.731 3.394 . 0 0 "[ . 1 . 2]" 1
1376 1 68 TRP HA 1 72 GLN H . . 4.140 4.039 3.864 4.136 . 0 0 "[ . 1 . 2]" 1
1377 1 68 TRP HA 1 72 GLN QE . . 5.340 4.428 4.122 4.764 . 0 0 "[ . 1 . 2]" 1
1378 1 68 TRP QB 1 69 ARG H . . 3.540 2.439 2.279 2.594 . 0 0 "[ . 1 . 2]" 1
1379 1 68 TRP HB2 1 68 TRP HE3 . . 4.170 4.000 3.928 4.049 . 0 0 "[ . 1 . 2]" 1
1380 1 68 TRP HB2 1 69 ARG H . . 4.030 3.861 3.749 3.976 . 0 0 "[ . 1 . 2]" 1
1381 1 68 TRP HB3 1 68 TRP HE3 . . 4.170 2.453 2.416 2.490 . 0 0 "[ . 1 . 2]" 1
1382 1 68 TRP HB3 1 69 ARG H . . 4.030 2.466 2.299 2.629 . 0 0 "[ . 1 . 2]" 1
1383 1 68 TRP HD1 1 69 ARG H . . 5.480 5.445 5.298 5.480 0.000 6 0 "[ . 1 . 2]" 1
1384 1 68 TRP HD1 1 71 ALA MB . . 5.160 4.540 4.328 4.923 . 0 0 "[ . 1 . 2]" 1
1385 1 68 TRP HD1 1 72 GLN QB . . 5.340 5.192 4.859 5.334 . 0 0 "[ . 1 . 2]" 1
1386 1 68 TRP HD1 1 72 GLN QE . . 4.300 3.453 2.665 4.242 . 0 0 "[ . 1 . 2]" 1
1387 1 68 TRP HD1 1 72 GLN HG3 . . 5.260 4.090 3.680 4.392 . 0 0 "[ . 1 . 2]" 1
1388 1 68 TRP HE1 1 72 GLN HE21 . . 4.690 3.576 2.428 4.366 . 0 0 "[ . 1 . 2]" 1
1389 1 68 TRP HE1 1 72 GLN HE22 . . 4.690 4.232 3.144 4.688 . 0 0 "[ . 1 . 2]" 1
1390 1 68 TRP HE1 1 72 GLN HG3 . . 5.070 2.983 2.462 3.332 . 0 0 "[ . 1 . 2]" 1
1391 1 68 TRP HE3 1 69 ARG H . . 3.830 2.855 2.620 3.098 . 0 0 "[ . 1 . 2]" 1
1392 1 68 TRP HE3 1 69 ARG HA . . 3.980 3.377 3.038 3.635 . 0 0 "[ . 1 . 2]" 1
1393 1 68 TRP HE3 1 69 ARG HB2 . . 4.560 3.898 3.708 4.129 . 0 0 "[ . 1 . 2]" 1
1394 1 68 TRP HE3 1 69 ARG HB3 . . 5.260 4.705 4.461 4.913 . 0 0 "[ . 1 . 2]" 1
1395 1 68 TRP HE3 1 69 ARG HG2 . . 4.420 2.675 2.005 3.584 . 0 0 "[ . 1 . 2]" 1
1396 1 68 TRP HE3 1 69 ARG QG . . 3.790 2.055 1.973 2.207 . 0 0 "[ . 1 . 2]" 1
1397 1 68 TRP HE3 1 69 ARG HG3 . . 4.420 2.648 2.000 3.514 . 0 0 "[ . 1 . 2]" 1
1398 1 68 TRP HH2 1 72 GLN HG3 . . 5.390 4.506 4.019 4.868 . 0 0 "[ . 1 . 2]" 1
1399 1 68 TRP HZ2 1 72 GLN HG3 . . 4.820 3.260 3.007 3.540 . 0 0 "[ . 1 . 2]" 1
1400 1 68 TRP HZ3 1 69 ARG HA . . 5.060 4.170 3.759 4.525 . 0 0 "[ . 1 . 2]" 1
1401 1 68 TRP HZ3 1 69 ARG QD . . 5.340 3.334 2.656 3.762 . 0 0 "[ . 1 . 2]" 1
1402 1 68 TRP HZ3 1 69 ARG QG . . 4.670 2.543 2.316 2.798 . 0 0 "[ . 1 . 2]" 1
1403 1 69 ARG H 1 69 ARG HB2 . . 3.240 2.233 2.189 2.312 . 0 0 "[ . 1 . 2]" 1
1404 1 69 ARG H 1 69 ARG HB3 . . 3.600 3.519 3.495 3.554 . 0 0 "[ . 1 . 2]" 1
1405 1 69 ARG H 1 69 ARG QG . . 3.200 2.730 2.516 2.862 . 0 0 "[ . 1 . 2]" 1
1406 1 69 ARG H 1 70 ALA H . . 3.320 2.713 2.622 2.782 . 0 0 "[ . 1 . 2]" 1
1407 1 69 ARG H 1 70 ALA MB . . 4.620 4.312 4.194 4.404 . 0 0 "[ . 1 . 2]" 1
1408 1 69 ARG H 1 71 ALA H . . 4.500 4.378 4.207 4.504 0.004 20 0 "[ . 1 . 2]" 1
1409 1 69 ARG HA 1 69 ARG HD2 . . 4.860 3.968 2.493 4.742 . 0 0 "[ . 1 . 2]" 1
1410 1 69 ARG HA 1 69 ARG QD . . 4.160 3.497 2.462 4.104 . 0 0 "[ . 1 . 2]" 1
1411 1 69 ARG HA 1 69 ARG HD3 . . 4.860 4.082 2.617 4.654 . 0 0 "[ . 1 . 2]" 1
1412 1 69 ARG HA 1 69 ARG HG2 . . 3.760 2.371 2.171 2.634 . 0 0 "[ . 1 . 2]" 1
1413 1 69 ARG HA 1 69 ARG QG . . 3.160 2.296 2.133 2.404 . 0 0 "[ . 1 . 2]" 1
1414 1 69 ARG HA 1 69 ARG HG3 . . 3.760 3.217 2.655 3.628 . 0 0 "[ . 1 . 2]" 1
1415 1 69 ARG HA 1 71 ALA H . . 4.790 4.694 4.515 4.790 . 0 0 "[ . 1 . 2]" 1
1416 1 69 ARG HA 1 72 GLN H . . 4.550 3.527 3.273 3.597 . 0 0 "[ . 1 . 2]" 1
1417 1 69 ARG HA 1 72 GLN HB2 . . 4.490 2.509 2.043 2.692 . 0 0 "[ . 1 . 2]" 1
1418 1 69 ARG HA 1 72 GLN QB . . 3.790 2.486 2.031 2.667 . 0 0 "[ . 1 . 2]" 1
1419 1 69 ARG HA 1 72 GLN HB3 . . 4.490 4.061 3.548 4.318 . 0 0 "[ . 1 . 2]" 1
1420 1 69 ARG HA 1 72 GLN HG2 . . 4.110 3.972 3.347 4.100 . 0 0 "[ . 1 . 2]" 1
1421 1 69 ARG HA 1 72 GLN HG3 . . 4.150 3.938 3.362 4.091 . 0 0 "[ . 1 . 2]" 1
1422 1 69 ARG HB2 1 69 ARG HD2 . . 4.180 3.584 2.903 4.121 . 0 0 "[ . 1 . 2]" 1
1423 1 69 ARG HB2 1 69 ARG QD . . 3.500 2.905 2.145 3.505 0.005 10 0 "[ . 1 . 2]" 1
1424 1 69 ARG HB2 1 69 ARG HD3 . . 4.180 3.306 2.167 4.203 0.023 5 0 "[ . 1 . 2]" 1
1425 1 69 ARG HB2 1 70 ALA H . . 3.680 2.761 2.603 2.869 . 0 0 "[ . 1 . 2]" 1
1426 1 69 ARG HB3 1 69 ARG HD2 . . 3.840 3.081 2.106 3.863 0.023 19 0 "[ . 1 . 2]" 1
1427 1 69 ARG HB3 1 69 ARG QD . . 3.330 2.439 2.075 2.832 . 0 0 "[ . 1 . 2]" 1
1428 1 69 ARG HB3 1 69 ARG HD3 . . 3.840 2.979 2.099 3.611 . 0 0 "[ . 1 . 2]" 1
1429 1 69 ARG HB3 1 70 ALA H . . 3.560 3.323 3.175 3.472 . 0 0 "[ . 1 . 2]" 1
1430 1 69 ARG HB3 1 70 ALA HA . . 4.190 4.088 4.022 4.188 . 0 0 "[ . 1 . 2]" 1
1431 1 69 ARG QG 1 70 ALA H . . 4.600 4.314 4.239 4.380 . 0 0 "[ . 1 . 2]" 1
1432 1 69 ARG HG2 1 70 ALA H . . 5.220 4.911 4.724 5.106 . 0 0 "[ . 1 . 2]" 1
1433 1 69 ARG HG3 1 70 ALA H . . 5.220 4.809 4.580 5.072 . 0 0 "[ . 1 . 2]" 1
1434 1 70 ALA H 1 70 ALA MB . . 2.870 2.104 2.026 2.231 . 0 0 "[ . 1 . 2]" 1
1435 1 70 ALA H 1 71 ALA H . . 3.320 2.762 2.657 2.994 . 0 0 "[ . 1 . 2]" 1
1436 1 70 ALA H 1 71 ALA MB . . 4.630 4.369 4.298 4.594 . 0 0 "[ . 1 . 2]" 1
1437 1 70 ALA H 1 72 GLN H . . 4.010 3.964 3.891 4.020 0.010 20 0 "[ . 1 . 2]" 1
1438 1 70 ALA MB 1 71 ALA H . . 3.420 2.455 2.273 2.638 . 0 0 "[ . 1 . 2]" 1
1439 1 71 ALA H 1 71 ALA MB . . 2.930 2.099 2.024 2.234 . 0 0 "[ . 1 . 2]" 1
1440 1 71 ALA MB 1 72 GLN H . . 3.760 2.754 2.644 2.894 . 0 0 "[ . 1 . 2]" 1
1441 1 71 ALA MB 1 72 GLN HA . . 4.290 3.787 3.741 3.897 . 0 0 "[ . 1 . 2]" 1
1442 1 71 ALA MB 1 72 GLN HE21 . . 4.770 3.415 2.853 4.118 . 0 0 "[ . 1 . 2]" 1
1443 1 71 ALA MB 1 72 GLN QE . . 4.010 3.310 2.806 3.860 . 0 0 "[ . 1 . 2]" 1
1444 1 71 ALA MB 1 72 GLN HE22 . . 4.770 4.527 4.161 4.771 0.001 20 0 "[ . 1 . 2]" 1
1445 1 72 GLN H 1 72 GLN QB . . 3.290 2.283 2.199 2.372 . 0 0 "[ . 1 . 2]" 1
1446 1 72 GLN H 1 72 GLN QE . . 4.560 3.931 3.583 4.529 . 0 0 "[ . 1 . 2]" 1
1447 1 72 GLN H 1 72 GLN HG2 . . 3.230 2.656 2.517 2.809 . 0 0 "[ . 1 . 2]" 1
1448 1 72 GLN H 1 72 GLN HG3 . . 3.980 3.913 3.811 3.984 0.004 20 0 "[ . 1 . 2]" 1
1449 1 72 GLN H 1 73 GLY H . . 3.800 2.464 2.354 2.579 . 0 0 "[ . 1 . 2]" 1
1450 1 72 GLN HA 1 72 GLN HE21 . . 5.280 3.298 2.444 4.292 . 0 0 "[ . 1 . 2]" 1
1451 1 72 GLN HA 1 72 GLN QE . . 4.470 3.022 2.354 3.764 . 0 0 "[ . 1 . 2]" 1
1452 1 72 GLN HA 1 72 GLN HE22 . . 5.280 3.546 3.080 4.164 . 0 0 "[ . 1 . 2]" 1
1453 1 72 GLN HA 1 72 GLN HG2 . . 3.560 2.967 2.861 3.038 . 0 0 "[ . 1 . 2]" 1
1454 1 72 GLN HA 1 72 GLN HG3 . . 4.030 3.665 3.618 3.729 . 0 0 "[ . 1 . 2]" 1
1455 1 72 GLN QB 1 72 GLN QE . . 3.980 3.608 3.430 3.740 . 0 0 "[ . 1 . 2]" 1
1456 1 72 GLN HB2 1 73 GLY H . . 5.300 3.068 3.004 3.195 . 0 0 "[ . 1 . 2]" 1
1457 1 72 GLN HB3 1 73 GLY H . . 5.300 3.814 3.681 3.975 . 0 0 "[ . 1 . 2]" 1
1458 1 72 GLN QE 1 72 GLN HG2 . . 3.420 2.143 2.098 2.372 . 0 0 "[ . 1 . 2]" 1
1459 1 74 LYS H 1 74 LYS HB2 . . 4.010 2.898 2.241 3.675 . 0 0 "[ . 1 . 2]" 1
1460 1 74 LYS H 1 74 LYS HB3 . . 4.010 3.101 2.512 4.009 . 0 0 "[ . 1 . 2]" 1
1461 1 74 LYS H 1 74 LYS QG . . 4.150 3.251 1.913 4.160 0.010 20 0 "[ . 1 . 2]" 1
1462 1 74 LYS H 1 75 ASP H . . 5.230 3.908 2.825 4.647 . 0 0 "[ . 1 . 2]" 1
1463 1 74 LYS HA 1 74 LYS QD . . 4.600 3.567 1.999 4.463 . 0 0 "[ . 1 . 2]" 1
1464 1 74 LYS HA 1 74 LYS QG . . 3.710 2.630 2.169 3.343 . 0 0 "[ . 1 . 2]" 1
1465 1 74 LYS QB 1 74 LYS QD . . 2.980 2.211 2.083 2.600 . 0 0 "[ . 1 . 2]" 1
1466 1 75 ASP HA 1 76 PRO HD2 . . 3.280 2.184 1.916 2.375 . 0 0 "[ . 1 . 2]" 1
1467 1 75 ASP HA 1 76 PRO HD3 . . 3.280 2.339 2.251 2.783 . 0 0 "[ . 1 . 2]" 1
1468 1 75 ASP HA 1 77 GLY H . . 3.860 3.679 3.138 3.862 0.002 6 0 "[ . 1 . 2]" 1
1469 1 75 ASP QB 1 76 PRO QD . . 3.880 2.866 2.054 3.746 . 0 0 "[ . 1 . 2]" 1
1470 1 75 ASP QB 1 77 GLY H . . 4.760 2.710 2.317 3.690 . 0 0 "[ . 1 . 2]" 1
1471 1 75 ASP HB2 1 77 GLY H . . 5.500 3.597 2.430 4.789 . 0 0 "[ . 1 . 2]" 1
1472 1 75 ASP HB3 1 77 GLY H . . 5.500 3.241 2.339 4.597 . 0 0 "[ . 1 . 2]" 1
1473 1 76 PRO HA 1 77 GLY H . . 3.480 3.383 3.293 3.468 . 0 0 "[ . 1 . 2]" 1
1474 1 76 PRO QB 1 77 GLY H . . 3.990 3.587 3.412 3.735 . 0 0 "[ . 1 . 2]" 1
1475 1 76 PRO QD 1 77 GLY H . . 4.490 2.800 2.652 2.967 . 0 0 "[ . 1 . 2]" 1
1476 1 76 PRO QG 1 77 GLY QA . . 5.110 3.986 3.723 4.296 . 0 0 "[ . 1 . 2]" 1
1477 1 77 GLY H 1 78 PRO QD . . 4.710 3.622 2.576 4.360 . 0 0 "[ . 1 . 2]" 1
1478 1 77 GLY QA 1 78 PRO QD . . 2.940 1.984 1.887 2.216 . 0 0 "[ . 1 . 2]" 1
1479 1 77 GLY QA 1 78 PRO QG . . 5.380 3.734 3.653 4.007 . 0 0 "[ . 1 . 2]" 1
1480 1 79 SER HA 1 80 GLU HA . . 4.670 4.409 4.295 4.659 . 0 0 "[ . 1 . 2]" 1
1481 1 80 GLU H 1 80 GLU QG . . 4.610 3.234 1.953 4.275 . 0 0 "[ . 1 . 2]" 1
1482 1 80 GLU QB 1 81 LYS H . . 3.560 2.796 1.891 3.374 . 0 0 "[ . 1 . 2]" 1
1483 1 80 GLU HB2 1 81 LYS H . . 4.150 3.522 1.915 4.114 . 0 0 "[ . 1 . 2]" 1
1484 1 80 GLU HB3 1 81 LYS H . . 4.150 3.245 2.251 4.123 . 0 0 "[ . 1 . 2]" 1
1485 1 81 LYS HA 1 81 LYS QD . . 5.100 3.627 2.083 4.436 . 0 0 "[ . 1 . 2]" 1
1486 1 81 LYS HA 1 81 LYS QE . . 5.290 4.527 1.981 5.290 . 0 0 "[ . 1 . 2]" 1
1487 1 82 GLN HA 1 83 LYS H . . 3.480 2.298 2.139 3.484 0.004 17 0 "[ . 1 . 2]" 1
1488 1 82 GLN QB 1 83 LYS H . . 5.090 3.237 2.153 3.961 . 0 0 "[ . 1 . 2]" 1
1489 1 83 LYS H 1 83 LYS HG2 . . 5.030 3.306 1.911 4.764 . 0 0 "[ . 1 . 2]" 1
1490 1 83 LYS H 1 83 LYS HG3 . . 5.030 3.772 2.681 4.980 . 0 0 "[ . 1 . 2]" 1
1491 1 83 LYS HA 1 84 PRO HD2 . . 3.440 2.187 1.942 2.389 . 0 0 "[ . 1 . 2]" 1
1492 1 83 LYS HA 1 84 PRO QD . . 3.000 1.990 1.897 2.084 . 0 0 "[ . 1 . 2]" 1
1493 1 83 LYS HA 1 84 PRO HD3 . . 3.440 2.357 2.254 2.774 . 0 0 "[ . 1 . 2]" 1
1494 1 83 LYS QB 1 84 PRO QD . . 3.660 2.765 1.975 3.725 0.065 13 0 "[ . 1 . 2]" 1
1495 1 84 PRO HA 1 85 VAL H . . 3.100 2.386 2.160 2.719 . 0 0 "[ . 1 . 2]" 1
1496 1 84 PRO QB 1 85 VAL H . . 4.070 2.835 1.893 3.866 . 0 0 "[ . 1 . 2]" 1
1497 1 85 VAL H 1 85 VAL HB . . 3.840 3.083 2.476 3.721 . 0 0 "[ . 1 . 2]" 1
1498 1 85 VAL H 1 85 VAL MG1 . . 4.190 2.811 1.889 3.968 . 0 0 "[ . 1 . 2]" 1
1499 1 85 VAL H 1 85 VAL QG . . 3.640 2.298 1.815 3.095 . 0 0 "[ . 1 . 2]" 1
1500 1 85 VAL H 1 85 VAL MG2 . . 4.190 3.185 1.878 4.012 . 0 0 "[ . 1 . 2]" 1
1501 1 86 PHE HA 1 87 THR HA . . 4.660 4.418 4.330 4.616 . 0 0 "[ . 1 . 2]" 1
1502 1 87 THR HA 1 87 THR HB . . 3.020 2.690 2.359 3.025 0.005 4 0 "[ . 1 . 2]" 1
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