NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588617 |
2mxw   |
25434 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mxw
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 1177
_Distance_constraint_stats_list.Viol_count 2839
_Distance_constraint_stats_list.Viol_total 4462.080
_Distance_constraint_stats_list.Viol_max 0.997
_Distance_constraint_stats_list.Viol_rms 0.0383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0786
_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 5 GLU 3.381 0.920 16 1 "[ . 1 .+ 2]"
1 6 SER 2.206 0.920 16 1 "[ . 1 .+ 2]"
1 7 TYR 4.954 0.290 19 0 "[ . 1 . 2]"
1 8 SER 3.394 0.290 19 0 "[ . 1 . 2]"
1 9 GLN 9.099 0.817 11 4 "[ * . *1+ .- 2]"
1 10 TYR 6.462 0.303 3 0 "[ . 1 . 2]"
1 11 PRO 1.547 0.088 13 0 "[ . 1 . 2]"
1 12 VAL 1.967 0.997 10 1 "[ . + . 2]"
1 13 PRO 3.560 0.588 17 2 "[ . - . + 2]"
1 14 ASP 9.740 0.997 10 4 "[ ** . + . * 2]"
1 15 VAL 9.566 0.924 3 2 "[ -+ . 1 . 2]"
1 16 SER 5.891 0.776 17 2 "[ . - . + 2]"
1 17 THR 2.857 0.726 10 2 "[ . + . - 2]"
1 18 TYR 10.794 0.192 3 0 "[ . 1 . 2]"
1 19 GLN 5.612 0.112 10 0 "[ . 1 . 2]"
1 20 TYR 10.759 0.132 1 0 "[ . 1 . 2]"
1 21 ASP 13.322 0.283 4 0 "[ . 1 . 2]"
1 22 GLU 12.036 0.283 4 0 "[ . 1 . 2]"
1 23 THR 3.463 0.122 7 0 "[ . 1 . 2]"
1 24 SER 2.766 0.616 2 1 "[ + . 1 . 2]"
1 25 GLY 1.858 0.085 18 0 "[ . 1 . 2]"
1 26 TYR 7.547 0.616 2 1 "[ + . 1 . 2]"
1 27 TYR 6.509 0.105 10 0 "[ . 1 . 2]"
1 28 TYR 5.176 0.110 7 0 "[ . 1 . 2]"
1 29 ASP 0.864 0.088 10 0 "[ . 1 . 2]"
1 30 PRO 4.499 0.086 19 0 "[ . 1 . 2]"
1 31 GLN 6.464 0.111 17 0 "[ . 1 . 2]"
1 32 THR 4.503 0.117 12 0 "[ . 1 . 2]"
1 33 GLY 3.026 0.102 1 0 "[ . 1 . 2]"
1 34 LEU 2.790 0.117 12 0 "[ . 1 . 2]"
1 35 TYR 9.102 0.111 8 0 "[ . 1 . 2]"
1 36 TYR 7.376 0.148 3 0 "[ . 1 . 2]"
1 37 ASP 4.574 0.087 19 0 "[ . 1 . 2]"
1 38 PRO 5.944 0.098 2 0 "[ . 1 . 2]"
1 39 ASN 8.942 0.423 14 0 "[ . 1 . 2]"
1 40 SER 6.918 0.423 14 0 "[ . 1 . 2]"
1 41 GLN 5.399 0.095 13 0 "[ . 1 . 2]"
1 42 TYR 3.821 0.119 3 0 "[ . 1 . 2]"
1 43 TYR 2.815 0.085 17 0 "[ . 1 . 2]"
1 44 TYR 9.782 0.564 15 1 "[ . 1 + 2]"
1 45 ASN 6.004 0.106 15 0 "[ . 1 . 2]"
1 46 ALA 5.524 0.118 13 0 "[ . 1 . 2]"
1 47 GLN 6.496 0.118 13 0 "[ . 1 . 2]"
1 48 SER 5.063 0.733 16 2 "[ . - .+ 2]"
1 49 GLN 4.337 0.564 15 1 "[ . 1 + 2]"
1 50 GLN 5.546 0.733 16 2 "[ . - .+ 2]"
1 51 TYR 7.300 0.106 12 0 "[ . 1 . 2]"
1 52 LEU 3.498 0.098 9 0 "[ . 1 . 2]"
1 53 TYR 7.941 0.735 9 1 "[ . +1 . 2]"
1 54 TRP 6.326 0.229 13 0 "[ . 1 . 2]"
1 55 ASP 9.200 0.922 9 1 "[ . +1 . 2]"
1 56 GLY 3.762 0.229 13 0 "[ . 1 . 2]"
1 57 GLU 4.329 0.097 17 0 "[ . 1 . 2]"
1 58 ARG 3.539 0.922 9 1 "[ . +1 . 2]"
1 59 ARG 5.370 0.587 9 1 "[ . +1 . 2]"
1 60 THR 3.653 0.697 9 1 "[ . +1 . 2]"
1 61 TYR 3.462 0.094 15 0 "[ . 1 . 2]"
1 62 VAL 6.464 0.239 9 0 "[ . 1 . 2]"
1 63 PRO 1.824 0.085 7 0 "[ . 1 . 2]"
1 64 ALA 6.294 0.126 4 0 "[ . 1 . 2]"
1 65 LEU 5.000 0.532 17 1 "[ . 1 . + 2]"
1 66 GLU 0.124 0.092 1 0 "[ . 1 . 2]"
1 67 GLN 1.844 0.112 1 0 "[ . 1 . 2]"
1 68 SER 1.609 0.253 12 0 "[ . 1 . 2]"
1 69 ALA 2.205 0.253 12 0 "[ . 1 . 2]"
1 70 ASP 2.115 0.108 16 0 "[ . 1 . 2]"
1 71 GLY 2.429 0.108 16 0 "[ . 1 . 2]"
1 72 HIS 2.374 0.391 10 0 "[ . 1 . 2]"
1 73 LYS 2.750 0.391 10 0 "[ . 1 . 2]"
1 74 GLU 2.121 0.132 17 0 "[ . 1 . 2]"
1 75 THR 4.028 0.132 17 0 "[ . 1 . 2]"
1 76 GLY 3.039 0.111 10 0 "[ . 1 . 2]"
1 77 ALA 1.089 0.107 7 0 "[ . 1 . 2]"
1 78 PRO 0.952 0.107 7 0 "[ . 1 . 2]"
1 79 SER 2.380 0.094 17 0 "[ . 1 . 2]"
1 80 LYS 1.313 0.569 11 1 "[ . 1+ . 2]"
1 81 GLU 2.563 0.389 6 0 "[ . 1 . 2]"
1 82 GLY 1.644 0.096 20 0 "[ . 1 . 2]"
1 83 LYS 3.341 0.549 16 1 "[ . 1 .+ 2]"
1 84 GLU 4.301 0.512 16 1 "[ . 1 .+ 2]"
1 85 LYS 1.386 0.124 11 0 "[ . 1 . 2]"
1 86 LYS 1.951 0.111 12 0 "[ . 1 . 2]"
1 89 HIS 3.462 0.398 14 0 "[ . 1 . 2]"
1 90 LYS 0.213 0.082 2 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 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 5 GLU H 1 6 SER HB2 . . 5.500 5.173 3.425 6.420 0.920 16 1 "[ . 1 .+ 2]" 1
2 1 5 GLU HA 1 5 GLU QG . . 3.140 2.772 2.234 3.252 0.112 13 0 "[ . 1 . 2]" 1
3 1 5 GLU HA 1 6 SER H . . 3.450 3.452 3.070 3.530 0.080 6 0 "[ . 1 . 2]" 1
4 1 5 GLU QB 1 5 GLU QG . . 2.400 2.091 2.013 2.127 . 0 0 "[ . 1 . 2]" 1
5 1 5 GLU QB 1 6 SER H . . 4.960 2.992 1.931 4.053 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU QG 1 6 SER H . . 5.270 3.291 1.716 4.631 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU QG 1 7 TYR HA . . 4.910 4.255 2.359 4.993 0.083 1 0 "[ . 1 . 2]" 1
8 1 5 GLU QG 1 7 TYR QD . . 4.430 3.367 2.124 4.542 0.112 7 0 "[ . 1 . 2]" 1
9 1 6 SER HA 1 7 TYR H . . 3.030 2.634 2.187 3.103 0.073 19 0 "[ . 1 . 2]" 1
10 1 7 TYR H 1 7 TYR HB2 . . 3.890 3.230 2.087 3.970 0.080 6 0 "[ . 1 . 2]" 1
11 1 7 TYR H 1 7 TYR HB3 . . 3.550 2.992 2.319 3.631 0.081 20 0 "[ . 1 . 2]" 1
12 1 7 TYR H 1 7 TYR QD . . 4.040 3.301 2.022 4.142 0.102 16 0 "[ . 1 . 2]" 1
13 1 7 TYR H 1 8 SER QB . . 4.390 4.386 4.004 4.494 0.104 16 0 "[ . 1 . 2]" 1
14 1 7 TYR HA 1 7 TYR QD . . 3.850 3.221 2.215 3.817 . 0 0 "[ . 1 . 2]" 1
15 1 7 TYR HA 1 8 SER H . . 3.400 2.690 2.055 3.481 0.081 4 0 "[ . 1 . 2]" 1
16 1 7 TYR HB2 1 8 SER H . . 4.370 3.872 2.084 4.458 0.088 5 0 "[ . 1 . 2]" 1
17 1 7 TYR HB3 1 8 SER H . . 4.150 3.791 2.571 4.440 0.290 19 0 "[ . 1 . 2]" 1
18 1 7 TYR QD 1 8 SER HA . . 4.470 4.131 3.092 4.572 0.102 7 0 "[ . 1 . 2]" 1
19 1 7 TYR QD 1 8 SER QB . . 5.030 4.657 2.830 5.110 0.080 12 0 "[ . 1 . 2]" 1
20 1 8 SER H 1 8 SER QB . . 3.380 2.853 2.219 3.392 0.012 18 0 "[ . 1 . 2]" 1
21 1 8 SER HA 1 8 SER QB . . 2.680 2.391 2.068 2.560 . 0 0 "[ . 1 . 2]" 1
22 1 9 GLN H 1 9 GLN HA . . 2.780 2.818 2.161 2.875 0.095 16 0 "[ . 1 . 2]" 1
23 1 9 GLN H 1 9 GLN HB3 . . 3.230 3.286 2.234 4.047 0.817 11 4 "[ * . *1+ .- 2]" 1
24 1 9 GLN H 1 9 GLN QG . . 3.620 2.981 2.251 3.687 0.067 4 0 "[ . 1 . 2]" 1
25 1 9 GLN HA 1 9 GLN QG . . 3.410 2.880 2.117 3.495 0.085 15 0 "[ . 1 . 2]" 1
26 1 9 GLN HB2 1 9 GLN QG . . 2.400 2.267 2.123 2.585 0.185 11 0 "[ . 1 . 2]" 1
27 1 9 GLN HB3 1 9 GLN HE22 . . 5.230 4.168 3.458 5.190 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLN HB3 1 9 GLN QG . . 2.670 2.378 2.127 2.542 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLN HB3 1 10 TYR QD . . 5.390 3.963 2.229 5.461 0.071 14 0 "[ . 1 . 2]" 1
30 1 9 GLN HE21 1 10 TYR H . . 5.500 5.193 3.730 5.803 0.303 3 0 "[ . 1 . 2]" 1
31 1 9 GLN HE22 1 9 GLN QG . . 3.450 3.375 3.209 3.534 0.084 14 0 "[ . 1 . 2]" 1
32 1 9 GLN QG 1 10 TYR H . . 4.550 3.468 2.517 4.608 0.058 18 0 "[ . 1 . 2]" 1
33 1 9 GLN QG 1 60 THR HA . . 5.400 5.210 3.387 5.500 0.100 1 0 "[ . 1 . 2]" 1
34 1 10 TYR H 1 10 TYR HB2 . . 3.440 2.351 2.150 2.644 . 0 0 "[ . 1 . 2]" 1
35 1 10 TYR H 1 10 TYR HB3 . . 3.860 3.569 3.453 3.750 . 0 0 "[ . 1 . 2]" 1
36 1 10 TYR H 1 10 TYR QD . . 3.200 2.824 2.183 3.264 0.064 19 0 "[ . 1 . 2]" 1
37 1 10 TYR H 1 11 PRO HD2 . . 5.110 4.811 4.703 4.934 . 0 0 "[ . 1 . 2]" 1
38 1 10 TYR H 1 11 PRO HD3 . . 5.170 5.162 5.037 5.249 0.079 15 0 "[ . 1 . 2]" 1
39 1 10 TYR H 1 54 TRP HH2 . . 4.120 3.841 3.491 4.150 0.030 20 0 "[ . 1 . 2]" 1
40 1 10 TYR H 1 54 TRP HZ3 . . 5.500 4.385 3.861 4.851 . 0 0 "[ . 1 . 2]" 1
41 1 10 TYR H 1 59 ARG HB2 . . 3.570 3.513 2.579 3.651 0.081 1 0 "[ . 1 . 2]" 1
42 1 10 TYR H 1 59 ARG HB3 . . 4.680 3.083 2.392 3.474 . 0 0 "[ . 1 . 2]" 1
43 1 10 TYR H 1 60 THR HA . . 4.300 3.844 3.231 4.371 0.071 13 0 "[ . 1 . 2]" 1
44 1 10 TYR HA 1 10 TYR QD . . 2.960 2.999 2.840 3.059 0.099 8 0 "[ . 1 . 2]" 1
45 1 10 TYR HA 1 11 PRO HD2 . . 3.180 2.422 2.205 2.767 . 0 0 "[ . 1 . 2]" 1
46 1 10 TYR HA 1 11 PRO HD3 . . 2.920 2.535 2.330 2.700 . 0 0 "[ . 1 . 2]" 1
47 1 10 TYR HA 1 11 PRO QG . . 4.300 4.124 4.023 4.231 . 0 0 "[ . 1 . 2]" 1
48 1 10 TYR HA 1 32 THR MG . . 5.460 5.416 4.519 5.572 0.112 1 0 "[ . 1 . 2]" 1
49 1 10 TYR HB2 1 11 PRO HD2 . . 4.200 3.755 3.650 3.910 . 0 0 "[ . 1 . 2]" 1
50 1 10 TYR HB2 1 54 TRP HH2 . . 3.620 2.596 2.278 3.311 . 0 0 "[ . 1 . 2]" 1
51 1 10 TYR HB2 1 54 TRP HZ3 . . 3.450 2.233 2.059 2.473 . 0 0 "[ . 1 . 2]" 1
52 1 10 TYR HB2 1 60 THR HA . . 4.470 2.726 2.324 3.325 . 0 0 "[ . 1 . 2]" 1
53 1 10 TYR HB2 1 61 TYR QD . . 5.080 4.456 3.682 5.154 0.074 20 0 "[ . 1 . 2]" 1
54 1 10 TYR HB2 1 61 TYR QE . . 4.720 4.298 3.429 4.802 0.082 7 0 "[ . 1 . 2]" 1
55 1 10 TYR HB3 1 11 PRO HD2 . . 3.690 2.211 2.097 2.433 . 0 0 "[ . 1 . 2]" 1
56 1 10 TYR HB3 1 11 PRO HD3 . . 4.010 3.670 3.407 3.931 . 0 0 "[ . 1 . 2]" 1
57 1 10 TYR HB3 1 11 PRO QG . . 5.200 3.578 3.372 3.798 . 0 0 "[ . 1 . 2]" 1
58 1 10 TYR HB3 1 32 THR MG . . 5.350 4.336 3.597 4.604 . 0 0 "[ . 1 . 2]" 1
59 1 10 TYR HB3 1 54 TRP HH2 . . 4.960 3.136 2.711 3.895 . 0 0 "[ . 1 . 2]" 1
60 1 10 TYR HB3 1 54 TRP HZ3 . . 4.100 2.753 2.417 3.082 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR HB3 1 61 TYR QD . . 5.430 4.433 3.948 5.072 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR HB3 1 61 TYR QE . . 4.040 3.418 2.829 4.096 0.056 7 0 "[ . 1 . 2]" 1
63 1 10 TYR QD 1 11 PRO HD2 . . 4.310 2.345 2.145 2.642 . 0 0 "[ . 1 . 2]" 1
64 1 10 TYR QD 1 11 PRO HD3 . . 4.450 3.753 2.955 4.201 . 0 0 "[ . 1 . 2]" 1
65 1 10 TYR QD 1 11 PRO QG . . 5.180 3.768 3.270 4.193 . 0 0 "[ . 1 . 2]" 1
66 1 10 TYR QD 1 32 THR MG . . 3.210 2.865 2.239 3.151 . 0 0 "[ . 1 . 2]" 1
67 1 10 TYR QD 1 60 THR HA . . 2.890 2.275 2.090 2.647 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR QD 1 60 THR HB . . 4.540 3.213 2.915 3.627 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR QD 1 61 TYR QE . . 3.770 2.695 2.413 3.241 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR QE 1 32 THR HB . . 5.370 4.424 3.776 4.990 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR QE 1 32 THR MG . . 3.340 2.834 2.319 3.403 0.063 3 0 "[ . 1 . 2]" 1
72 1 10 TYR QE 1 60 THR HA . . 3.830 3.722 3.386 3.910 0.080 12 0 "[ . 1 . 2]" 1
73 1 10 TYR QE 1 60 THR HB . . 5.270 4.303 3.647 4.853 . 0 0 "[ . 1 . 2]" 1
74 1 10 TYR QE 1 61 TYR H . . 5.500 3.554 3.049 4.058 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR QE 1 61 TYR QD . . 4.290 3.324 2.987 3.672 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QE 1 61 TYR QE . . 3.870 3.529 2.665 3.942 0.072 6 0 "[ . 1 . 2]" 1
77 1 11 PRO HA 1 12 VAL H . . 2.670 2.622 2.484 2.739 0.069 4 0 "[ . 1 . 2]" 1
78 1 11 PRO HA 1 12 VAL QG . . 4.240 3.280 3.040 3.551 . 0 0 "[ . 1 . 2]" 1
79 1 11 PRO QB 1 12 VAL H . . 3.690 2.263 2.010 2.620 . 0 0 "[ . 1 . 2]" 1
80 1 11 PRO QB 1 12 VAL QG . . 5.500 4.026 3.886 4.221 . 0 0 "[ . 1 . 2]" 1
81 1 11 PRO QB 1 13 PRO HB3 . . 5.020 4.932 4.323 5.108 0.088 13 0 "[ . 1 . 2]" 1
82 1 11 PRO HD2 1 32 THR MG . . 5.500 4.003 2.936 4.415 . 0 0 "[ . 1 . 2]" 1
83 1 11 PRO QG 1 12 VAL H . . 4.680 3.828 3.520 4.203 . 0 0 "[ . 1 . 2]" 1
84 1 11 PRO QG 1 32 THR MG . . 5.170 3.802 2.667 4.603 . 0 0 "[ . 1 . 2]" 1
85 1 12 VAL H 1 12 VAL HB . . 2.850 2.593 2.482 2.701 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL H 1 12 VAL QG . . 3.000 2.572 2.338 2.798 . 0 0 "[ . 1 . 2]" 1
87 1 12 VAL H 1 13 PRO HA . . 5.110 4.746 4.457 5.013 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL H 1 54 TRP HH2 . . 5.500 5.400 4.909 5.553 0.053 8 0 "[ . 1 . 2]" 1
89 1 12 VAL H 1 54 TRP HZ2 . . 5.500 5.318 4.931 5.560 0.060 17 0 "[ . 1 . 2]" 1
90 1 12 VAL HA 1 12 VAL QG . . 3.230 2.108 2.069 2.166 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL HA 1 13 PRO HB3 . . 5.220 5.051 4.898 5.169 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL HA 1 13 PRO HD2 . . 3.310 2.121 2.045 2.290 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL HA 1 13 PRO HD3 . . 3.010 2.766 2.491 2.945 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL HA 1 13 PRO QG . . 4.150 3.969 3.896 4.101 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL HA 1 54 TRP HE1 . . 5.200 4.302 3.465 4.868 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL HA 1 54 TRP HH2 . . 4.290 3.756 3.121 4.049 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL HA 1 54 TRP HZ2 . . 3.090 2.750 2.325 3.053 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL QG 1 13 PRO HD2 . . 3.490 3.198 2.951 3.342 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL QG 1 14 ASP HB2 . . 5.500 4.545 3.424 6.497 0.997 10 1 "[ . + . 2]" 1
100 1 12 VAL QG 1 54 TRP HE1 . . 4.470 3.282 2.637 3.762 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL QG 1 54 TRP HH2 . . 3.930 3.673 3.185 3.888 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL QG 1 54 TRP HZ2 . . 2.920 2.556 2.115 2.803 . 0 0 "[ . 1 . 2]" 1
103 1 13 PRO HA 1 14 ASP H . . 2.680 2.494 2.303 2.671 . 0 0 "[ . 1 . 2]" 1
104 1 13 PRO HA 1 14 ASP HB2 . . 4.820 4.411 3.906 5.408 0.588 17 2 "[ . - . + 2]" 1
105 1 13 PRO HA 1 14 ASP HB3 . . 5.330 4.798 4.350 5.108 . 0 0 "[ . 1 . 2]" 1
106 1 13 PRO HB2 1 14 ASP H . . 3.980 2.673 2.309 3.106 . 0 0 "[ . 1 . 2]" 1
107 1 13 PRO HB3 1 14 ASP H . . 3.820 3.700 3.330 3.866 0.046 17 0 "[ . 1 . 2]" 1
108 1 13 PRO HD2 1 54 TRP HE1 . . 4.780 3.737 3.167 4.398 . 0 0 "[ . 1 . 2]" 1
109 1 13 PRO HD2 1 54 TRP HZ2 . . 3.410 3.208 2.637 3.482 0.072 8 0 "[ . 1 . 2]" 1
110 1 13 PRO QG 1 14 ASP H . . 4.880 4.091 3.800 4.440 . 0 0 "[ . 1 . 2]" 1
111 1 13 PRO QG 1 54 TRP HB2 . . 4.420 4.039 3.343 4.440 0.020 10 0 "[ . 1 . 2]" 1
112 1 13 PRO QG 1 54 TRP HB3 . . 4.850 4.830 4.170 4.948 0.098 10 0 "[ . 1 . 2]" 1
113 1 13 PRO QG 1 54 TRP HD1 . . 5.090 4.523 3.870 5.134 0.044 20 0 "[ . 1 . 2]" 1
114 1 13 PRO QG 1 54 TRP HE1 . . 5.500 4.388 3.422 4.962 . 0 0 "[ . 1 . 2]" 1
115 1 13 PRO QG 1 54 TRP HE3 . . 5.450 4.172 3.590 4.858 . 0 0 "[ . 1 . 2]" 1
116 1 14 ASP H 1 14 ASP HB2 . . 3.430 3.233 3.010 3.480 0.050 12 0 "[ . 1 . 2]" 1
117 1 14 ASP H 1 14 ASP HB3 . . 3.310 3.046 2.874 3.495 0.185 10 0 "[ . 1 . 2]" 1
118 1 14 ASP H 1 17 THR MG . . 4.180 3.400 2.441 4.287 0.108 3 0 "[ . 1 . 2]" 1
119 1 14 ASP H 1 18 TYR QE . . 3.510 3.326 2.967 3.611 0.101 6 0 "[ . 1 . 2]" 1
120 1 14 ASP HA 1 15 VAL H . . 2.650 2.262 2.059 2.731 0.081 6 0 "[ . 1 . 2]" 1
121 1 14 ASP HA 1 15 VAL HB . . 5.100 4.611 4.286 5.177 0.077 2 0 "[ . 1 . 2]" 1
122 1 14 ASP HA 1 15 VAL MG1 . . 4.580 3.925 3.551 5.449 0.869 3 2 "[ -+ . 1 . 2]" 1
123 1 14 ASP HB2 1 17 THR H . . 5.500 4.993 3.072 5.564 0.064 6 0 "[ . 1 . 2]" 1
124 1 14 ASP HB2 1 17 THR MG . . 4.120 4.022 3.031 4.222 0.102 13 0 "[ . 1 . 2]" 1
125 1 14 ASP HB3 1 16 SER H . . 3.390 3.289 2.796 4.166 0.776 17 2 "[ . - . + 2]" 1
126 1 14 ASP HB3 1 17 THR H . . 5.090 3.688 2.805 5.042 . 0 0 "[ . 1 . 2]" 1
127 1 14 ASP HB3 1 17 THR MG . . 3.480 2.986 2.271 4.206 0.726 10 2 "[ . + . - 2]" 1
128 1 15 VAL H 1 15 VAL HB . . 3.330 2.573 2.303 3.124 . 0 0 "[ . 1 . 2]" 1
129 1 15 VAL H 1 15 VAL MG1 . . 2.930 2.281 1.854 3.854 0.924 3 2 "[ -+ . 1 . 2]" 1
130 1 15 VAL H 1 17 THR H . . 5.500 4.427 4.179 4.835 . 0 0 "[ . 1 . 2]" 1
131 1 15 VAL HA 1 15 VAL MG1 . . 3.720 3.162 2.308 3.269 . 0 0 "[ . 1 . 2]" 1
132 1 15 VAL HA 1 15 VAL MG2 . . 3.400 2.487 2.364 3.036 . 0 0 "[ . 1 . 2]" 1
133 1 15 VAL HA 1 17 THR H . . 4.430 3.527 3.155 4.391 . 0 0 "[ . 1 . 2]" 1
134 1 15 VAL HA 1 18 TYR H . . 4.540 3.251 2.876 3.583 . 0 0 "[ . 1 . 2]" 1
135 1 15 VAL HA 1 18 TYR QD . . 4.040 2.943 2.782 3.112 . 0 0 "[ . 1 . 2]" 1
136 1 15 VAL HA 1 18 TYR QE . . 3.450 3.157 2.844 3.491 0.041 6 0 "[ . 1 . 2]" 1
137 1 15 VAL HB 1 16 SER H . . 4.400 4.198 3.216 4.467 0.067 6 0 "[ . 1 . 2]" 1
138 1 15 VAL HB 1 18 TYR HB2 . . 4.910 4.867 4.615 4.992 0.082 13 0 "[ . 1 . 2]" 1
139 1 15 VAL HB 1 18 TYR QD . . 5.060 3.811 3.394 4.445 . 0 0 "[ . 1 . 2]" 1
140 1 15 VAL HB 1 18 TYR QE . . 4.310 3.292 2.583 4.423 0.113 2 0 "[ . 1 . 2]" 1
141 1 15 VAL HB 1 36 TYR QD . . 5.500 4.215 3.543 4.673 . 0 0 "[ . 1 . 2]" 1
142 1 15 VAL HB 1 36 TYR QE . . 3.940 3.911 3.462 4.039 0.099 3 0 "[ . 1 . 2]" 1
143 1 15 VAL MG1 1 16 SER H . . 4.110 2.908 2.598 4.288 0.178 3 0 "[ . 1 . 2]" 1
144 1 15 VAL MG1 1 16 SER HA . . 4.400 3.796 3.529 4.384 . 0 0 "[ . 1 . 2]" 1
145 1 15 VAL MG1 1 16 SER HB3 . . 5.340 4.683 3.571 5.628 0.288 2 0 "[ . 1 . 2]" 1
146 1 15 VAL MG1 1 18 TYR H . . 5.500 4.929 3.733 5.587 0.087 6 0 "[ . 1 . 2]" 1
147 1 15 VAL MG1 1 18 TYR QE . . 4.610 4.346 2.063 4.709 0.099 9 0 "[ . 1 . 2]" 1
148 1 15 VAL MG1 1 36 TYR QE . . 4.520 3.441 2.195 4.212 . 0 0 "[ . 1 . 2]" 1
149 1 15 VAL MG2 1 16 SER H . . 4.920 3.936 3.180 4.332 . 0 0 "[ . 1 . 2]" 1
150 1 15 VAL MG2 1 16 SER HA . . 5.120 4.154 3.771 4.601 . 0 0 "[ . 1 . 2]" 1
151 1 15 VAL MG2 1 17 THR H . . 5.500 4.744 4.391 5.451 . 0 0 "[ . 1 . 2]" 1
152 1 15 VAL MG2 1 18 TYR H . . 5.210 4.075 3.663 5.402 0.192 3 0 "[ . 1 . 2]" 1
153 1 15 VAL MG2 1 18 TYR QD . . 4.470 2.402 2.132 4.268 . 0 0 "[ . 1 . 2]" 1
154 1 15 VAL MG2 1 18 TYR QE . . 3.120 3.188 2.872 3.227 0.107 13 0 "[ . 1 . 2]" 1
155 1 15 VAL MG2 1 36 TYR QD . . 4.010 2.851 2.335 3.976 . 0 0 "[ . 1 . 2]" 1
156 1 15 VAL MG2 1 36 TYR QE . . 3.160 2.486 2.203 3.308 0.148 3 0 "[ . 1 . 2]" 1
157 1 16 SER H 1 16 SER HB3 . . 3.090 2.787 2.305 3.568 0.478 19 0 "[ . 1 . 2]" 1
158 1 16 SER H 1 17 THR H . . 3.240 2.801 2.008 3.039 . 0 0 "[ . 1 . 2]" 1
159 1 16 SER H 1 17 THR MG . . 4.760 4.076 3.188 4.543 . 0 0 "[ . 1 . 2]" 1
160 1 16 SER H 1 18 TYR H . . 5.240 4.275 3.711 4.468 . 0 0 "[ . 1 . 2]" 1
161 1 16 SER HA 1 16 SER HB2 . . 2.750 2.636 2.397 3.044 0.294 14 0 "[ . 1 . 2]" 1
162 1 16 SER HA 1 17 THR MG . . 5.480 4.891 4.251 5.439 . 0 0 "[ . 1 . 2]" 1
163 1 16 SER HA 1 18 TYR H . . 4.370 3.975 3.659 4.313 . 0 0 "[ . 1 . 2]" 1
164 1 16 SER HB2 1 17 THR H . . 4.450 3.956 2.516 4.464 0.014 10 0 "[ . 1 . 2]" 1
165 1 16 SER HB3 1 17 THR H . . 4.970 3.823 2.867 4.601 . 0 0 "[ . 1 . 2]" 1
166 1 17 THR H 1 17 THR MG . . 3.280 2.443 2.110 2.788 . 0 0 "[ . 1 . 2]" 1
167 1 17 THR H 1 18 TYR H . . 3.120 2.369 2.085 2.992 . 0 0 "[ . 1 . 2]" 1
168 1 17 THR H 1 18 TYR HA . . 5.500 4.698 4.478 5.198 . 0 0 "[ . 1 . 2]" 1
169 1 17 THR H 1 18 TYR HB2 . . 5.500 4.482 4.237 5.218 . 0 0 "[ . 1 . 2]" 1
170 1 17 THR H 1 18 TYR QD . . 5.160 3.950 3.503 4.559 . 0 0 "[ . 1 . 2]" 1
171 1 17 THR H 1 18 TYR QE . . 5.500 4.799 4.395 5.422 . 0 0 "[ . 1 . 2]" 1
172 1 17 THR MG 1 18 TYR H . . 4.850 3.934 3.201 4.398 . 0 0 "[ . 1 . 2]" 1
173 1 18 TYR H 1 18 TYR HB2 . . 3.250 2.376 2.238 2.507 . 0 0 "[ . 1 . 2]" 1
174 1 18 TYR H 1 18 TYR HB3 . . 3.510 3.567 3.513 3.583 0.073 1 0 "[ . 1 . 2]" 1
175 1 18 TYR H 1 18 TYR QD . . 3.460 3.076 2.794 3.286 . 0 0 "[ . 1 . 2]" 1
176 1 18 TYR H 1 18 TYR QE . . 5.260 4.720 4.457 4.922 . 0 0 "[ . 1 . 2]" 1
177 1 18 TYR H 1 19 GLN H . . 4.920 4.531 4.476 4.611 . 0 0 "[ . 1 . 2]" 1
178 1 18 TYR HA 1 18 TYR QD . . 2.780 2.094 2.024 2.181 . 0 0 "[ . 1 . 2]" 1
179 1 18 TYR HA 1 18 TYR QE . . 4.290 4.375 4.350 4.386 0.096 18 0 "[ . 1 . 2]" 1
180 1 18 TYR HA 1 19 GLN H . . 2.990 2.371 2.153 2.727 . 0 0 "[ . 1 . 2]" 1
181 1 18 TYR HA 1 19 GLN QG . . 4.660 3.764 3.421 4.060 . 0 0 "[ . 1 . 2]" 1
182 1 18 TYR HA 1 27 TYR HB3 . . 4.990 4.873 4.663 5.076 0.086 10 0 "[ . 1 . 2]" 1
183 1 18 TYR HA 1 28 TYR H . . 5.500 4.874 4.466 5.097 . 0 0 "[ . 1 . 2]" 1
184 1 18 TYR HA 1 30 PRO HD2 . . 4.260 2.437 2.016 2.831 . 0 0 "[ . 1 . 2]" 1
185 1 18 TYR HA 1 30 PRO HD3 . . 4.110 3.294 2.701 4.063 . 0 0 "[ . 1 . 2]" 1
186 1 18 TYR HA 1 30 PRO QG . . 4.670 3.488 3.126 3.976 . 0 0 "[ . 1 . 2]" 1
187 1 18 TYR HA 1 31 GLN H . . 5.500 5.246 4.857 5.577 0.077 17 0 "[ . 1 . 2]" 1
188 1 18 TYR HB2 1 19 GLN H . . 3.730 3.583 3.332 3.804 0.074 13 0 "[ . 1 . 2]" 1
189 1 18 TYR HB2 1 28 TYR H . . 4.640 4.660 4.440 4.718 0.078 16 0 "[ . 1 . 2]" 1
190 1 18 TYR HB3 1 19 GLN H . . 3.510 2.326 1.987 2.661 . 0 0 "[ . 1 . 2]" 1
191 1 18 TYR HB3 1 28 TYR H . . 4.720 3.188 2.839 3.569 . 0 0 "[ . 1 . 2]" 1
192 1 18 TYR QD 1 19 GLN H . . 3.910 4.005 3.971 4.022 0.112 10 0 "[ . 1 . 2]" 1
193 1 18 TYR QD 1 27 TYR HB2 . . 4.470 2.940 2.663 3.484 . 0 0 "[ . 1 . 2]" 1
194 1 18 TYR QD 1 27 TYR HB3 . . 4.210 2.440 2.237 2.763 . 0 0 "[ . 1 . 2]" 1
195 1 18 TYR QD 1 28 TYR H . . 5.450 4.655 4.127 5.128 . 0 0 "[ . 1 . 2]" 1
196 1 18 TYR QD 1 29 ASP HA . . 3.430 2.842 2.327 3.109 . 0 0 "[ . 1 . 2]" 1
197 1 18 TYR QD 1 29 ASP QB . . 4.060 3.659 3.330 3.985 . 0 0 "[ . 1 . 2]" 1
198 1 18 TYR QD 1 30 PRO HD2 . . 4.870 2.706 2.286 3.239 . 0 0 "[ . 1 . 2]" 1
199 1 18 TYR QD 1 30 PRO HD3 . . 5.380 4.216 3.600 4.845 . 0 0 "[ . 1 . 2]" 1
200 1 18 TYR QD 1 36 TYR HB3 . . 3.750 2.652 2.434 2.995 . 0 0 "[ . 1 . 2]" 1
201 1 18 TYR QE 1 29 ASP QB . . 3.440 3.152 2.765 3.476 0.036 12 0 "[ . 1 . 2]" 1
202 1 18 TYR QE 1 36 TYR H . . 5.500 5.090 4.658 5.407 . 0 0 "[ . 1 . 2]" 1
203 1 18 TYR QE 1 36 TYR HB2 . . 3.260 2.696 2.455 2.951 . 0 0 "[ . 1 . 2]" 1
204 1 18 TYR QE 1 36 TYR HB3 . . 3.280 2.955 2.534 3.352 0.072 12 0 "[ . 1 . 2]" 1
205 1 19 GLN H 1 19 GLN HB2 . . 3.410 2.479 2.391 2.614 . 0 0 "[ . 1 . 2]" 1
206 1 19 GLN H 1 19 GLN HB3 . . 3.600 3.667 3.619 3.689 0.089 5 0 "[ . 1 . 2]" 1
207 1 19 GLN H 1 19 GLN QG . . 3.530 2.974 2.605 3.141 . 0 0 "[ . 1 . 2]" 1
208 1 19 GLN H 1 28 TYR H . . 3.860 2.936 2.630 3.372 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLN H 1 28 TYR QB . . 4.460 3.363 2.986 3.647 . 0 0 "[ . 1 . 2]" 1
210 1 19 GLN H 1 28 TYR QD . . 5.500 4.103 3.701 4.537 . 0 0 "[ . 1 . 2]" 1
211 1 19 GLN H 1 29 ASP HA . . 4.730 4.038 3.635 4.377 . 0 0 "[ . 1 . 2]" 1
212 1 19 GLN H 1 30 PRO HD2 . . 4.800 3.503 2.866 4.074 . 0 0 "[ . 1 . 2]" 1
213 1 19 GLN H 1 30 PRO HD3 . . 4.470 3.077 2.613 3.698 . 0 0 "[ . 1 . 2]" 1
214 1 19 GLN HA 1 19 GLN QG . . 3.400 2.324 2.170 2.491 . 0 0 "[ . 1 . 2]" 1
215 1 19 GLN HA 1 20 TYR H . . 2.890 2.232 2.107 2.338 . 0 0 "[ . 1 . 2]" 1
216 1 19 GLN HA 1 20 TYR HB2 . . 5.140 4.620 4.441 4.839 . 0 0 "[ . 1 . 2]" 1
217 1 19 GLN HA 1 20 TYR HB3 . . 4.520 4.541 4.331 4.597 0.077 5 0 "[ . 1 . 2]" 1
218 1 19 GLN HA 1 27 TYR QD . . 4.950 4.443 4.003 5.055 0.105 10 0 "[ . 1 . 2]" 1
219 1 19 GLN HB2 1 28 TYR H . . 4.650 3.583 3.283 4.007 . 0 0 "[ . 1 . 2]" 1
220 1 19 GLN HB2 1 28 TYR QB . . 3.830 2.518 2.280 3.005 . 0 0 "[ . 1 . 2]" 1
221 1 19 GLN HB2 1 28 TYR QD . . 3.400 2.642 2.080 3.347 . 0 0 "[ . 1 . 2]" 1
222 1 19 GLN HB3 1 20 TYR H . . 3.900 3.603 2.825 3.972 0.072 6 0 "[ . 1 . 2]" 1
223 1 19 GLN HB3 1 28 TYR QB . . 4.050 3.682 3.265 4.109 0.059 2 0 "[ . 1 . 2]" 1
224 1 19 GLN HB3 1 28 TYR QD . . 4.630 3.993 3.360 4.709 0.079 2 0 "[ . 1 . 2]" 1
225 1 19 GLN HE21 1 30 PRO HB3 . . 5.500 4.137 2.362 5.555 0.055 1 0 "[ . 1 . 2]" 1
226 1 19 GLN HE21 1 30 PRO HG3 . . 5.020 3.657 1.788 5.064 0.044 4 0 "[ . 1 . 2]" 1
227 1 19 GLN HE22 1 30 PRO HG3 . . 5.480 4.698 3.032 5.550 0.070 5 0 "[ . 1 . 2]" 1
228 1 19 GLN QG 1 20 TYR H . . 4.650 4.222 3.780 4.513 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLN QG 1 28 TYR H . . 5.200 5.107 4.838 5.297 0.097 18 0 "[ . 1 . 2]" 1
230 1 19 GLN QG 1 28 TYR QD . . 4.970 3.824 3.113 4.689 . 0 0 "[ . 1 . 2]" 1
231 1 19 GLN QG 1 30 PRO HD2 . . 4.790 4.174 3.658 4.839 0.049 17 0 "[ . 1 . 2]" 1
232 1 19 GLN QG 1 30 PRO HD3 . . 4.210 3.435 2.941 4.162 . 0 0 "[ . 1 . 2]" 1
233 1 20 TYR H 1 20 TYR HB2 . . 3.080 2.520 2.287 2.806 . 0 0 "[ . 1 . 2]" 1
234 1 20 TYR H 1 20 TYR HB3 . . 3.490 2.405 2.348 2.484 . 0 0 "[ . 1 . 2]" 1
235 1 20 TYR H 1 20 TYR QD . . 4.710 4.169 4.071 4.214 . 0 0 "[ . 1 . 2]" 1
236 1 20 TYR H 1 21 ASP H . . 5.000 4.626 4.521 4.778 . 0 0 "[ . 1 . 2]" 1
237 1 20 TYR H 1 27 TYR HA . . 5.300 4.429 4.075 4.717 . 0 0 "[ . 1 . 2]" 1
238 1 20 TYR H 1 27 TYR QD . . 5.270 3.570 2.995 4.095 . 0 0 "[ . 1 . 2]" 1
239 1 20 TYR H 1 27 TYR QE . . 4.030 4.059 3.698 4.134 0.104 10 0 "[ . 1 . 2]" 1
240 1 20 TYR HA 1 20 TYR QD . . 3.430 2.529 2.299 2.641 . 0 0 "[ . 1 . 2]" 1
241 1 20 TYR HA 1 20 TYR QE . . 5.500 4.584 4.450 4.674 . 0 0 "[ . 1 . 2]" 1
242 1 20 TYR HA 1 21 ASP H . . 2.930 2.275 2.159 2.420 . 0 0 "[ . 1 . 2]" 1
243 1 20 TYR HA 1 27 TYR H . . 5.500 4.745 4.537 4.973 . 0 0 "[ . 1 . 2]" 1
244 1 20 TYR HA 1 27 TYR HA . . 3.090 2.138 2.044 2.315 . 0 0 "[ . 1 . 2]" 1
245 1 20 TYR HA 1 27 TYR HB3 . . 4.830 4.105 3.682 4.448 . 0 0 "[ . 1 . 2]" 1
246 1 20 TYR HA 1 27 TYR QD . . 4.060 3.110 2.303 3.853 . 0 0 "[ . 1 . 2]" 1
247 1 20 TYR HA 1 27 TYR QE . . 4.290 4.034 3.504 4.329 0.039 4 0 "[ . 1 . 2]" 1
248 1 20 TYR HA 1 28 TYR H . . 4.200 3.486 3.105 3.689 . 0 0 "[ . 1 . 2]" 1
249 1 20 TYR HA 1 28 TYR QB . . 5.380 4.736 4.502 4.922 . 0 0 "[ . 1 . 2]" 1
250 1 20 TYR QB 1 27 TYR QE . . 3.000 2.508 2.102 2.788 . 0 0 "[ . 1 . 2]" 1
251 1 20 TYR HB2 1 21 ASP H . . 4.030 4.090 4.002 4.115 0.085 4 0 "[ . 1 . 2]" 1
252 1 20 TYR HB2 1 27 TYR QE . . 4.240 2.531 2.114 2.823 . 0 0 "[ . 1 . 2]" 1
253 1 20 TYR HB3 1 21 ASP H . . 4.730 3.973 3.754 4.074 . 0 0 "[ . 1 . 2]" 1
254 1 20 TYR HB3 1 22 GLU H . . 5.500 4.747 4.269 5.311 . 0 0 "[ . 1 . 2]" 1
255 1 20 TYR HB3 1 27 TYR QE . . 4.310 4.124 3.718 4.362 0.052 7 0 "[ . 1 . 2]" 1
256 1 20 TYR QD 1 21 ASP H . . 3.250 3.144 2.699 3.336 0.086 4 0 "[ . 1 . 2]" 1
257 1 20 TYR QD 1 22 GLU H . . 3.720 3.188 2.891 3.664 . 0 0 "[ . 1 . 2]" 1
258 1 20 TYR QD 1 22 GLU HA . . 3.880 3.859 3.705 3.961 0.081 9 0 "[ . 1 . 2]" 1
259 1 20 TYR QD 1 22 GLU QB . . 3.650 3.234 2.451 3.699 0.049 6 0 "[ . 1 . 2]" 1
260 1 20 TYR QD 1 22 GLU QG . . 3.540 3.471 2.852 3.644 0.104 2 0 "[ . 1 . 2]" 1
261 1 20 TYR QD 1 27 TYR H . . 5.500 4.566 4.325 4.840 . 0 0 "[ . 1 . 2]" 1
262 1 20 TYR QD 1 27 TYR HA . . 3.360 3.379 3.117 3.463 0.103 6 0 "[ . 1 . 2]" 1
263 1 20 TYR QD 1 27 TYR QD . . 4.320 3.282 2.715 3.535 . 0 0 "[ . 1 . 2]" 1
264 1 20 TYR QD 1 27 TYR QE . . 3.490 3.107 2.960 3.534 0.044 13 0 "[ . 1 . 2]" 1
265 1 20 TYR QD 1 28 TYR H . . 5.500 5.377 4.979 5.551 0.051 12 0 "[ . 1 . 2]" 1
266 1 20 TYR QE 1 21 ASP H . . 4.280 4.164 3.784 4.372 0.092 1 0 "[ . 1 . 2]" 1
267 1 20 TYR QE 1 22 GLU H . . 4.140 3.674 3.399 3.931 . 0 0 "[ . 1 . 2]" 1
268 1 20 TYR QE 1 22 GLU HA . . 2.510 2.523 2.336 2.606 0.096 5 0 "[ . 1 . 2]" 1
269 1 20 TYR QE 1 22 GLU QB . . 3.020 2.079 1.957 2.342 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR QE 1 22 GLU QG . . 3.570 3.675 3.653 3.702 0.132 1 0 "[ . 1 . 2]" 1
271 1 20 TYR QE 1 25 GLY H . . 5.500 4.487 3.958 4.782 . 0 0 "[ . 1 . 2]" 1
272 1 20 TYR QE 1 25 GLY HA2 . . 3.300 3.000 2.344 3.351 0.051 12 0 "[ . 1 . 2]" 1
273 1 20 TYR QE 1 25 GLY HA3 . . 4.340 4.033 3.435 4.422 0.082 4 0 "[ . 1 . 2]" 1
274 1 21 ASP H 1 21 ASP HB2 . . 3.520 2.765 2.406 3.595 0.075 19 0 "[ . 1 . 2]" 1
275 1 21 ASP H 1 21 ASP HB3 . . 3.340 3.309 2.485 3.599 0.259 4 0 "[ . 1 . 2]" 1
276 1 21 ASP H 1 22 GLU H . . 4.640 3.820 3.518 4.157 . 0 0 "[ . 1 . 2]" 1
277 1 21 ASP H 1 22 GLU HA . . 5.500 4.496 4.219 4.799 . 0 0 "[ . 1 . 2]" 1
278 1 21 ASP H 1 25 GLY H . . 4.080 4.126 4.013 4.165 0.085 18 0 "[ . 1 . 2]" 1
279 1 21 ASP H 1 26 TYR H . . 4.230 3.348 2.874 3.923 . 0 0 "[ . 1 . 2]" 1
280 1 21 ASP H 1 27 TYR HA . . 3.570 3.340 3.061 3.629 0.059 3 0 "[ . 1 . 2]" 1
281 1 21 ASP H 1 28 TYR H . . 4.770 4.603 4.088 4.847 0.077 20 0 "[ . 1 . 2]" 1
282 1 21 ASP H 1 35 TYR QD . . 5.500 5.500 5.109 5.595 0.095 4 0 "[ . 1 . 2]" 1
283 1 21 ASP H 1 35 TYR QE . . 5.500 5.207 4.710 5.583 0.083 1 0 "[ . 1 . 2]" 1
284 1 21 ASP HA 1 22 GLU H . . 2.680 2.180 2.077 2.427 . 0 0 "[ . 1 . 2]" 1
285 1 21 ASP HA 1 22 GLU QB . . 4.620 4.679 4.556 4.720 0.100 13 0 "[ . 1 . 2]" 1
286 1 21 ASP HA 1 22 GLU QG . . 4.810 3.544 3.279 3.922 . 0 0 "[ . 1 . 2]" 1
287 1 21 ASP HA 1 23 THR MG . . 4.230 3.775 3.299 4.321 0.091 17 0 "[ . 1 . 2]" 1
288 1 21 ASP HB2 1 22 GLU H . . 4.390 4.594 3.912 4.673 0.283 4 0 "[ . 1 . 2]" 1
289 1 21 ASP HB2 1 24 SER H . . 4.970 4.622 4.110 4.863 . 0 0 "[ . 1 . 2]" 1
290 1 21 ASP HB2 1 25 GLY H . . 5.500 4.750 3.793 4.983 . 0 0 "[ . 1 . 2]" 1
291 1 21 ASP HB2 1 26 TYR H . . 4.390 4.203 3.168 4.509 0.119 12 0 "[ . 1 . 2]" 1
292 1 21 ASP HB2 1 35 TYR QE . . 4.610 3.222 2.365 3.808 . 0 0 "[ . 1 . 2]" 1
293 1 21 ASP HB3 1 22 GLU H . . 4.610 4.183 3.903 4.674 0.064 19 0 "[ . 1 . 2]" 1
294 1 21 ASP HB3 1 23 THR H . . 5.500 3.721 3.092 5.045 . 0 0 "[ . 1 . 2]" 1
295 1 21 ASP HB3 1 24 SER H . . 4.770 3.245 2.785 4.817 0.047 19 0 "[ . 1 . 2]" 1
296 1 21 ASP HB3 1 25 GLY H . . 4.890 3.784 3.365 4.491 . 0 0 "[ . 1 . 2]" 1
297 1 21 ASP HB3 1 26 TYR H . . 4.430 3.869 3.115 4.438 0.008 4 0 "[ . 1 . 2]" 1
298 1 21 ASP HB3 1 35 TYR QE . . 4.640 3.840 2.593 4.697 0.057 3 0 "[ . 1 . 2]" 1
299 1 22 GLU H 1 22 GLU QB . . 2.840 2.744 2.467 2.905 0.065 19 0 "[ . 1 . 2]" 1
300 1 22 GLU H 1 22 GLU QG . . 3.470 1.934 1.684 2.181 . 0 0 "[ . 1 . 2]" 1
301 1 22 GLU H 1 23 THR H . . 3.230 2.761 2.428 2.946 . 0 0 "[ . 1 . 2]" 1
302 1 22 GLU H 1 23 THR HB . . 5.440 4.864 4.496 5.440 . 0 0 "[ . 1 . 2]" 1
303 1 22 GLU H 1 23 THR MG . . 5.500 4.188 3.496 4.583 . 0 0 "[ . 1 . 2]" 1
304 1 22 GLU H 1 24 SER H . . 5.020 4.540 4.362 4.985 . 0 0 "[ . 1 . 2]" 1
305 1 22 GLU H 1 25 GLY H . . 5.500 4.587 4.320 4.855 . 0 0 "[ . 1 . 2]" 1
306 1 22 GLU HA 1 22 GLU QB . . 2.720 2.147 2.081 2.187 . 0 0 "[ . 1 . 2]" 1
307 1 22 GLU HA 1 22 GLU QG . . 3.560 3.330 3.256 3.448 . 0 0 "[ . 1 . 2]" 1
308 1 22 GLU HA 1 24 SER H . . 5.070 3.850 3.466 4.542 . 0 0 "[ . 1 . 2]" 1
309 1 22 GLU QB 1 23 THR H . . 3.460 3.533 3.384 3.582 0.122 7 0 "[ . 1 . 2]" 1
310 1 22 GLU QB 1 24 SER H . . 5.500 4.903 4.531 5.332 . 0 0 "[ . 1 . 2]" 1
311 1 22 GLU QG 1 23 THR H . . 4.100 2.591 2.191 2.919 . 0 0 "[ . 1 . 2]" 1
312 1 22 GLU QG 1 23 THR HA . . 4.630 4.203 3.798 4.693 0.063 1 0 "[ . 1 . 2]" 1
313 1 22 GLU QG 1 23 THR MG . . 4.700 4.209 3.348 4.739 0.039 7 0 "[ . 1 . 2]" 1
314 1 23 THR H 1 23 THR HB . . 3.970 2.363 2.168 2.728 . 0 0 "[ . 1 . 2]" 1
315 1 23 THR H 1 23 THR MG . . 3.790 2.294 1.880 2.620 . 0 0 "[ . 1 . 2]" 1
316 1 23 THR H 1 24 SER H . . 3.060 2.822 2.656 3.125 0.065 13 0 "[ . 1 . 2]" 1
317 1 23 THR H 1 25 GLY H . . 4.150 3.978 3.699 4.232 0.082 2 0 "[ . 1 . 2]" 1
318 1 23 THR HA 1 23 THR MG . . 3.200 3.254 3.231 3.275 0.075 19 0 "[ . 1 . 2]" 1
319 1 23 THR HA 1 24 SER HA . . 5.090 4.570 4.396 4.761 . 0 0 "[ . 1 . 2]" 1
320 1 23 THR HB 1 24 SER H . . 4.250 4.065 3.698 4.328 0.078 3 0 "[ . 1 . 2]" 1
321 1 23 THR MG 1 24 SER H . . 4.590 2.450 1.964 3.035 . 0 0 "[ . 1 . 2]" 1
322 1 23 THR MG 1 24 SER HA . . 4.730 4.049 3.593 4.634 . 0 0 "[ . 1 . 2]" 1
323 1 24 SER H 1 24 SER HB2 . . 3.410 2.832 2.333 3.712 0.302 7 0 "[ . 1 . 2]" 1
324 1 24 SER H 1 24 SER HB3 . . 4.180 3.667 2.498 3.967 . 0 0 "[ . 1 . 2]" 1
325 1 24 SER H 1 25 GLY H . . 2.970 1.987 1.783 2.406 . 0 0 "[ . 1 . 2]" 1
326 1 24 SER H 1 25 GLY HA3 . . 5.010 4.659 4.394 5.069 0.059 17 0 "[ . 1 . 2]" 1
327 1 24 SER HA 1 24 SER HB3 . . 2.910 2.494 2.241 3.047 0.137 3 0 "[ . 1 . 2]" 1
328 1 24 SER HB2 1 26 TYR QD . . 4.810 3.795 2.751 4.723 . 0 0 "[ . 1 . 2]" 1
329 1 24 SER HB3 1 26 TYR H . . 5.170 4.264 3.492 4.754 . 0 0 "[ . 1 . 2]" 1
330 1 24 SER HB3 1 26 TYR QD . . 4.480 3.543 2.343 4.816 0.336 7 0 "[ . 1 . 2]" 1
331 1 24 SER HB3 1 26 TYR QE . . 5.480 4.789 3.342 6.096 0.616 2 1 "[ + . 1 . 2]" 1
332 1 25 GLY H 1 26 TYR H . . 3.090 2.312 1.964 2.593 . 0 0 "[ . 1 . 2]" 1
333 1 25 GLY H 1 26 TYR HB2 . . 5.390 4.362 3.839 4.792 . 0 0 "[ . 1 . 2]" 1
334 1 25 GLY HA3 1 26 TYR HA . . 5.110 4.656 4.520 4.838 . 0 0 "[ . 1 . 2]" 1
335 1 26 TYR H 1 26 TYR HB2 . . 3.250 2.487 2.309 2.734 . 0 0 "[ . 1 . 2]" 1
336 1 26 TYR H 1 26 TYR HB3 . . 4.020 3.613 3.473 3.831 . 0 0 "[ . 1 . 2]" 1
337 1 26 TYR H 1 26 TYR QD . . 4.030 3.138 2.685 3.588 . 0 0 "[ . 1 . 2]" 1
338 1 26 TYR H 1 27 TYR H . . 5.130 4.416 4.301 4.543 . 0 0 "[ . 1 . 2]" 1
339 1 26 TYR HA 1 26 TYR QD . . 2.930 2.918 2.541 3.031 0.101 13 0 "[ . 1 . 2]" 1
340 1 26 TYR HA 1 27 TYR H . . 3.030 2.503 2.280 2.681 . 0 0 "[ . 1 . 2]" 1
341 1 26 TYR HA 1 27 TYR QD . . 5.320 3.518 2.935 3.905 . 0 0 "[ . 1 . 2]" 1
342 1 26 TYR HA 1 38 PRO HD2 . . 4.860 3.765 3.179 4.112 . 0 0 "[ . 1 . 2]" 1
343 1 26 TYR HA 1 38 PRO HD3 . . 4.330 3.740 2.927 4.380 0.050 18 0 "[ . 1 . 2]" 1
344 1 26 TYR HA 1 38 PRO QG . . 4.820 4.835 4.290 4.918 0.098 2 0 "[ . 1 . 2]" 1
345 1 26 TYR HB2 1 27 TYR H . . 3.660 3.685 3.552 3.739 0.079 12 0 "[ . 1 . 2]" 1
346 1 26 TYR HB3 1 27 TYR H . . 3.330 2.312 2.134 2.460 . 0 0 "[ . 1 . 2]" 1
347 1 26 TYR HB3 1 35 TYR QD . . 3.520 2.483 2.286 2.722 . 0 0 "[ . 1 . 2]" 1
348 1 26 TYR HB3 1 35 TYR QE . . 4.360 4.411 4.197 4.458 0.098 15 0 "[ . 1 . 2]" 1
349 1 26 TYR HB3 1 36 TYR H . . 4.010 3.703 3.177 4.091 0.081 12 0 "[ . 1 . 2]" 1
350 1 26 TYR QD 1 27 TYR H . . 3.900 3.463 3.130 3.975 0.075 12 0 "[ . 1 . 2]" 1
351 1 26 TYR QD 1 35 TYR HB3 . . 5.320 2.957 2.283 4.178 . 0 0 "[ . 1 . 2]" 1
352 1 26 TYR QD 1 36 TYR H . . 5.500 3.880 3.022 4.705 . 0 0 "[ . 1 . 2]" 1
353 1 26 TYR QD 1 37 ASP HA . . 4.160 3.541 2.686 4.129 . 0 0 "[ . 1 . 2]" 1
354 1 26 TYR QD 1 37 ASP HB2 . . 3.640 3.044 2.323 3.727 0.087 19 0 "[ . 1 . 2]" 1
355 1 26 TYR QE 1 37 ASP HA . . 4.890 4.288 3.572 4.899 0.009 7 0 "[ . 1 . 2]" 1
356 1 26 TYR QE 1 37 ASP HB2 . . 3.220 2.478 2.117 3.018 . 0 0 "[ . 1 . 2]" 1
357 1 26 TYR QE 1 37 ASP HB3 . . 5.130 3.873 3.460 4.422 . 0 0 "[ . 1 . 2]" 1
358 1 27 TYR H 1 27 TYR HB2 . . 3.520 2.464 2.278 2.650 . 0 0 "[ . 1 . 2]" 1
359 1 27 TYR H 1 27 TYR HB3 . . 3.860 3.657 3.540 3.785 . 0 0 "[ . 1 . 2]" 1
360 1 27 TYR H 1 27 TYR QD . . 2.990 2.825 2.525 3.077 0.087 8 0 "[ . 1 . 2]" 1
361 1 27 TYR H 1 36 TYR H . . 3.810 3.028 2.677 3.604 . 0 0 "[ . 1 . 2]" 1
362 1 27 TYR H 1 36 TYR HB3 . . 4.510 3.950 3.589 4.230 . 0 0 "[ . 1 . 2]" 1
363 1 27 TYR H 1 36 TYR QD . . 5.320 4.069 3.649 4.621 . 0 0 "[ . 1 . 2]" 1
364 1 27 TYR H 1 37 ASP HA . . 4.820 3.487 3.193 3.738 . 0 0 "[ . 1 . 2]" 1
365 1 27 TYR H 1 38 PRO HD2 . . 5.210 4.961 4.572 5.231 0.021 8 0 "[ . 1 . 2]" 1
366 1 27 TYR H 1 38 PRO HD3 . . 4.870 4.247 3.762 4.664 . 0 0 "[ . 1 . 2]" 1
367 1 27 TYR HA 1 27 TYR QD . . 3.070 2.932 2.402 3.132 0.062 10 0 "[ . 1 . 2]" 1
368 1 27 TYR HA 1 28 TYR H . . 3.040 2.272 2.197 2.369 . 0 0 "[ . 1 . 2]" 1
369 1 27 TYR HA 1 28 TYR QB . . 4.230 4.025 3.831 4.254 0.024 18 0 "[ . 1 . 2]" 1
370 1 27 TYR HB2 1 28 TYR H . . 4.380 4.076 3.741 4.407 0.027 10 0 "[ . 1 . 2]" 1
371 1 27 TYR HB2 1 36 TYR HB2 . . 4.240 4.113 3.902 4.302 0.062 3 0 "[ . 1 . 2]" 1
372 1 27 TYR HB2 1 36 TYR HB3 . . 3.940 2.376 2.198 2.561 . 0 0 "[ . 1 . 2]" 1
373 1 27 TYR HB2 1 36 TYR QD . . 3.340 2.402 2.108 2.761 . 0 0 "[ . 1 . 2]" 1
374 1 27 TYR HB3 1 28 TYR H . . 3.760 3.003 2.605 3.455 . 0 0 "[ . 1 . 2]" 1
375 1 27 TYR HB3 1 36 TYR HB3 . . 4.130 3.349 2.780 3.712 . 0 0 "[ . 1 . 2]" 1
376 1 27 TYR HB3 1 36 TYR QD . . 3.720 3.652 3.311 3.807 0.087 2 0 "[ . 1 . 2]" 1
377 1 27 TYR QD 1 28 TYR H . . 4.280 3.921 3.608 4.354 0.074 10 0 "[ . 1 . 2]" 1
378 1 27 TYR QD 1 36 TYR QD . . 3.560 2.765 2.313 3.643 0.083 10 0 "[ . 1 . 2]" 1
379 1 27 TYR QD 1 38 PRO HD2 . . 3.900 3.751 3.006 3.985 0.085 19 0 "[ . 1 . 2]" 1
380 1 27 TYR QD 1 38 PRO HD3 . . 3.140 2.256 2.135 2.373 . 0 0 "[ . 1 . 2]" 1
381 1 27 TYR QD 1 38 PRO QG . . 4.030 3.984 3.776 4.106 0.076 15 0 "[ . 1 . 2]" 1
382 1 27 TYR QE 1 38 PRO HB2 . . 5.000 4.097 3.531 4.837 . 0 0 "[ . 1 . 2]" 1
383 1 27 TYR QE 1 38 PRO HB3 . . 3.500 2.603 2.102 3.571 0.071 18 0 "[ . 1 . 2]" 1
384 1 27 TYR QE 1 38 PRO HD3 . . 3.860 2.431 2.064 2.909 . 0 0 "[ . 1 . 2]" 1
385 1 27 TYR QE 1 38 PRO QG . . 2.960 2.607 2.266 2.994 0.034 11 0 "[ . 1 . 2]" 1
386 1 28 TYR H 1 28 TYR QB . . 3.190 2.306 2.135 2.410 . 0 0 "[ . 1 . 2]" 1
387 1 28 TYR H 1 28 TYR QD . . 4.930 4.179 4.025 4.272 . 0 0 "[ . 1 . 2]" 1
388 1 28 TYR H 1 29 ASP H . . 5.360 4.429 4.322 4.587 . 0 0 "[ . 1 . 2]" 1
389 1 28 TYR H 1 35 TYR HA . . 5.000 4.728 4.555 4.845 . 0 0 "[ . 1 . 2]" 1
390 1 28 TYR HA 1 28 TYR QD . . 2.700 2.405 2.202 2.609 . 0 0 "[ . 1 . 2]" 1
391 1 28 TYR HA 1 29 ASP H . . 2.900 2.197 2.145 2.253 . 0 0 "[ . 1 . 2]" 1
392 1 28 TYR HA 1 35 TYR HA . . 3.200 2.264 2.059 2.416 . 0 0 "[ . 1 . 2]" 1
393 1 28 TYR HA 1 35 TYR QD . . 3.330 3.203 2.736 3.412 0.082 13 0 "[ . 1 . 2]" 1
394 1 28 TYR HA 1 36 TYR H . . 4.420 3.675 3.452 3.846 . 0 0 "[ . 1 . 2]" 1
395 1 28 TYR QB 1 29 ASP H . . 3.970 3.682 3.589 3.798 . 0 0 "[ . 1 . 2]" 1
396 1 28 TYR QB 1 35 TYR HA . . 4.530 4.213 3.934 4.452 . 0 0 "[ . 1 . 2]" 1
397 1 28 TYR QB 1 35 TYR QD . . 4.420 3.364 3.018 3.620 . 0 0 "[ . 1 . 2]" 1
398 1 28 TYR QB 1 35 TYR QE . . 3.040 2.593 2.365 2.897 . 0 0 "[ . 1 . 2]" 1
399 1 28 TYR QD 1 29 ASP H . . 3.190 2.774 2.487 3.084 . 0 0 "[ . 1 . 2]" 1
400 1 28 TYR QD 1 30 PRO HA . . 4.850 4.275 3.846 4.717 . 0 0 "[ . 1 . 2]" 1
401 1 28 TYR QD 1 30 PRO HB3 . . 4.750 3.684 3.102 4.297 . 0 0 "[ . 1 . 2]" 1
402 1 28 TYR QD 1 30 PRO HD2 . . 5.190 4.637 4.393 4.932 . 0 0 "[ . 1 . 2]" 1
403 1 28 TYR QD 1 30 PRO HD3 . . 3.220 2.982 2.702 3.294 0.074 20 0 "[ . 1 . 2]" 1
404 1 28 TYR QD 1 30 PRO QG . . 4.500 4.091 3.830 4.499 . 0 0 "[ . 1 . 2]" 1
405 1 28 TYR QD 1 35 TYR HA . . 3.420 3.474 3.295 3.516 0.096 19 0 "[ . 1 . 2]" 1
406 1 28 TYR QD 1 35 TYR QD . . 3.680 3.260 2.917 3.543 . 0 0 "[ . 1 . 2]" 1
407 1 28 TYR QD 1 35 TYR QE . . 3.400 3.043 2.840 3.239 . 0 0 "[ . 1 . 2]" 1
408 1 28 TYR QE 1 29 ASP H . . 5.500 3.963 3.605 4.260 . 0 0 "[ . 1 . 2]" 1
409 1 28 TYR QE 1 30 PRO HB2 . . 4.500 4.303 3.926 4.583 0.083 20 0 "[ . 1 . 2]" 1
410 1 28 TYR QE 1 30 PRO HB3 . . 3.050 2.687 2.257 3.024 . 0 0 "[ . 1 . 2]" 1
411 1 28 TYR QE 1 30 PRO QG . . 4.570 4.249 3.364 4.642 0.072 10 0 "[ . 1 . 2]" 1
412 1 28 TYR QE 1 33 GLY H . . 5.030 4.361 4.076 4.663 . 0 0 "[ . 1 . 2]" 1
413 1 28 TYR QE 1 33 GLY HA2 . . 2.830 2.569 2.103 2.905 0.075 12 0 "[ . 1 . 2]" 1
414 1 28 TYR QE 1 33 GLY HA3 . . 4.100 3.782 3.380 4.169 0.069 14 0 "[ . 1 . 2]" 1
415 1 28 TYR QE 1 35 TYR QE . . 3.550 3.477 3.084 3.660 0.110 7 0 "[ . 1 . 2]" 1
416 1 29 ASP H 1 29 ASP QB . . 3.270 2.475 2.300 2.801 . 0 0 "[ . 1 . 2]" 1
417 1 29 ASP H 1 30 PRO HD2 . . 5.500 4.463 4.287 4.610 . 0 0 "[ . 1 . 2]" 1
418 1 29 ASP H 1 33 GLY H . . 5.480 4.344 4.120 4.526 . 0 0 "[ . 1 . 2]" 1
419 1 29 ASP H 1 33 GLY HA2 . . 4.940 4.577 4.324 4.812 . 0 0 "[ . 1 . 2]" 1
420 1 29 ASP H 1 34 LEU H . . 4.400 3.735 3.051 4.466 0.066 1 0 "[ . 1 . 2]" 1
421 1 29 ASP H 1 35 TYR HA . . 3.830 2.915 2.614 3.226 . 0 0 "[ . 1 . 2]" 1
422 1 29 ASP H 1 35 TYR QE . . 5.300 5.232 4.954 5.388 0.088 10 0 "[ . 1 . 2]" 1
423 1 29 ASP H 1 36 TYR H . . 4.900 4.645 3.899 4.970 0.070 6 0 "[ . 1 . 2]" 1
424 1 29 ASP HA 1 30 PRO HD2 . . 3.110 2.123 2.030 2.226 . 0 0 "[ . 1 . 2]" 1
425 1 29 ASP HA 1 30 PRO HD3 . . 3.110 2.930 2.817 3.037 . 0 0 "[ . 1 . 2]" 1
426 1 29 ASP HA 1 31 GLN H . . 4.530 3.359 3.149 3.672 . 0 0 "[ . 1 . 2]" 1
427 1 29 ASP QB 1 30 PRO HD2 . . 4.980 4.034 3.815 4.232 . 0 0 "[ . 1 . 2]" 1
428 1 29 ASP QB 1 30 PRO HD3 . . 5.050 4.601 4.553 4.638 . 0 0 "[ . 1 . 2]" 1
429 1 29 ASP QB 1 32 THR H . . 4.310 3.450 2.891 3.843 . 0 0 "[ . 1 . 2]" 1
430 1 29 ASP QB 1 33 GLY H . . 4.560 3.146 2.910 3.451 . 0 0 "[ . 1 . 2]" 1
431 1 29 ASP QB 1 34 LEU H . . 3.960 2.494 2.213 3.057 . 0 0 "[ . 1 . 2]" 1
432 1 29 ASP QB 1 34 LEU HB2 . . 4.880 2.564 2.172 2.990 . 0 0 "[ . 1 . 2]" 1
433 1 29 ASP QB 1 35 TYR HA . . 5.300 3.927 3.304 4.199 . 0 0 "[ . 1 . 2]" 1
434 1 29 ASP QB 1 36 TYR H . . 5.500 4.875 4.485 5.165 . 0 0 "[ . 1 . 2]" 1
435 1 30 PRO HA 1 33 GLY H . . 4.190 3.589 3.010 4.041 . 0 0 "[ . 1 . 2]" 1
436 1 30 PRO HB2 1 31 GLN H . . 4.070 3.870 3.694 4.001 . 0 0 "[ . 1 . 2]" 1
437 1 30 PRO HB2 1 31 GLN HA . . 4.210 4.283 4.269 4.294 0.084 8 0 "[ . 1 . 2]" 1
438 1 30 PRO HB3 1 31 GLN H . . 4.450 4.503 4.391 4.536 0.086 19 0 "[ . 1 . 2]" 1
439 1 30 PRO HD2 1 31 GLN H . . 3.850 3.095 2.843 3.282 . 0 0 "[ . 1 . 2]" 1
440 1 30 PRO HD3 1 31 GLN H . . 4.080 4.108 3.944 4.152 0.072 1 0 "[ . 1 . 2]" 1
441 1 30 PRO QG 1 31 GLN H . . 4.290 3.129 2.871 3.349 . 0 0 "[ . 1 . 2]" 1
442 1 31 GLN H 1 31 GLN QB . . 2.730 2.284 2.049 2.653 . 0 0 "[ . 1 . 2]" 1
443 1 31 GLN H 1 31 GLN QG . . 3.980 3.406 2.260 4.039 0.059 17 0 "[ . 1 . 2]" 1
444 1 31 GLN H 1 32 THR H . . 3.080 2.472 2.253 2.678 . 0 0 "[ . 1 . 2]" 1
445 1 31 GLN H 1 32 THR MG . . 4.690 4.621 4.055 4.801 0.111 17 0 "[ . 1 . 2]" 1
446 1 31 GLN H 1 33 GLY H . . 4.010 3.797 3.604 4.073 0.063 9 0 "[ . 1 . 2]" 1
447 1 31 GLN H 1 33 GLY HA2 . . 5.500 5.494 5.240 5.569 0.069 6 0 "[ . 1 . 2]" 1
448 1 31 GLN HA 1 31 GLN QB . . 2.710 2.441 2.337 2.536 . 0 0 "[ . 1 . 2]" 1
449 1 31 GLN HA 1 31 GLN QG . . 3.710 2.502 2.115 3.168 . 0 0 "[ . 1 . 2]" 1
450 1 31 GLN HA 1 32 THR MG . . 5.210 4.396 4.164 4.740 . 0 0 "[ . 1 . 2]" 1
451 1 31 GLN QB 1 32 THR H . . 3.320 2.875 2.358 3.203 . 0 0 "[ . 1 . 2]" 1
452 1 31 GLN QB 1 32 THR HA . . 4.760 4.398 3.926 4.819 0.059 11 0 "[ . 1 . 2]" 1
453 1 31 GLN QB 1 32 THR MG . . 3.440 2.870 2.267 3.253 . 0 0 "[ . 1 . 2]" 1
454 1 31 GLN QB 1 33 GLY H . . 4.590 4.596 4.375 4.692 0.102 1 0 "[ . 1 . 2]" 1
455 1 31 GLN QB 1 34 LEU QD . . 5.240 5.119 4.273 5.261 0.021 18 0 "[ . 1 . 2]" 1
456 1 31 GLN QG 1 32 THR MG . . 4.870 3.750 2.605 4.879 0.009 15 0 "[ . 1 . 2]" 1
457 1 32 THR H 1 32 THR MG . . 3.460 3.180 2.662 3.419 . 0 0 "[ . 1 . 2]" 1
458 1 32 THR H 1 33 GLY H . . 2.890 1.985 1.762 2.325 . 0 0 "[ . 1 . 2]" 1
459 1 32 THR H 1 33 GLY HA2 . . 4.700 4.182 3.938 4.634 . 0 0 "[ . 1 . 2]" 1
460 1 32 THR H 1 33 GLY HA3 . . 5.020 4.675 4.458 5.070 0.050 5 0 "[ . 1 . 2]" 1
461 1 32 THR H 1 34 LEU H . . 4.090 3.646 3.383 3.885 . 0 0 "[ . 1 . 2]" 1
462 1 32 THR H 1 34 LEU QD . . 5.500 4.458 3.284 4.846 . 0 0 "[ . 1 . 2]" 1
463 1 32 THR HA 1 32 THR HB . . 2.950 2.592 2.447 2.841 . 0 0 "[ . 1 . 2]" 1
464 1 32 THR HA 1 32 THR MG . . 3.110 2.246 2.029 2.403 . 0 0 "[ . 1 . 2]" 1
465 1 32 THR HB 1 33 GLY H . . 4.600 3.629 3.139 4.043 . 0 0 "[ . 1 . 2]" 1
466 1 32 THR HB 1 33 GLY HA3 . . 4.670 4.690 4.479 4.759 0.089 18 0 "[ . 1 . 2]" 1
467 1 32 THR HB 1 34 LEU H . . 3.840 3.679 2.335 3.917 0.077 6 0 "[ . 1 . 2]" 1
468 1 32 THR HB 1 34 LEU QD . . 3.990 2.640 1.786 3.462 . 0 0 "[ . 1 . 2]" 1
469 1 32 THR HB 1 34 LEU HG . . 3.480 3.057 2.357 3.597 0.117 12 0 "[ . 1 . 2]" 1
470 1 32 THR MG 1 33 GLY H . . 4.640 4.177 3.793 4.442 . 0 0 "[ . 1 . 2]" 1
471 1 32 THR MG 1 34 LEU QD . . 4.060 2.961 2.147 3.664 . 0 0 "[ . 1 . 2]" 1
472 1 33 GLY H 1 34 LEU H . . 3.220 2.191 1.838 2.704 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLY H 1 34 LEU HB2 . . 5.210 4.335 3.530 5.132 . 0 0 "[ . 1 . 2]" 1
474 1 33 GLY HA3 1 34 LEU QD . . 5.500 4.387 3.091 4.877 . 0 0 "[ . 1 . 2]" 1
475 1 34 LEU H 1 34 LEU HB2 . . 3.330 2.486 2.141 2.774 . 0 0 "[ . 1 . 2]" 1
476 1 34 LEU H 1 34 LEU HB3 . . 3.890 3.619 3.295 3.809 . 0 0 "[ . 1 . 2]" 1
477 1 34 LEU H 1 34 LEU QD . . 4.090 2.985 1.675 3.485 . 0 0 "[ . 1 . 2]" 1
478 1 34 LEU H 1 34 LEU HG . . 3.350 2.845 2.290 3.447 0.097 12 0 "[ . 1 . 2]" 1
479 1 34 LEU H 1 35 TYR H . . 5.100 4.516 4.386 4.668 . 0 0 "[ . 1 . 2]" 1
480 1 34 LEU HA 1 34 LEU QD . . 2.990 2.277 2.142 2.472 . 0 0 "[ . 1 . 2]" 1
481 1 34 LEU HA 1 34 LEU HG . . 4.030 3.125 2.834 3.914 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU HA 1 35 TYR H . . 3.010 2.542 2.311 2.684 . 0 0 "[ . 1 . 2]" 1
483 1 34 LEU HA 1 35 TYR HB2 . . 5.160 4.655 4.526 4.784 . 0 0 "[ . 1 . 2]" 1
484 1 34 LEU HA 1 44 TYR H . . 5.440 5.013 4.313 5.347 . 0 0 "[ . 1 . 2]" 1
485 1 34 LEU HA 1 46 ALA H . . 5.110 3.481 2.996 3.927 . 0 0 "[ . 1 . 2]" 1
486 1 34 LEU HB2 1 35 TYR H . . 4.140 3.392 2.836 3.740 . 0 0 "[ . 1 . 2]" 1
487 1 34 LEU HB2 1 43 TYR QD . . 3.570 2.640 1.985 2.985 . 0 0 "[ . 1 . 2]" 1
488 1 34 LEU HB2 1 44 TYR H . . 5.120 4.995 3.872 5.196 0.076 2 0 "[ . 1 . 2]" 1
489 1 34 LEU HB3 1 35 TYR H . . 3.710 2.331 2.157 2.595 . 0 0 "[ . 1 . 2]" 1
490 1 34 LEU HB3 1 43 TYR HB3 . . 4.160 2.762 2.300 3.185 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU HB3 1 43 TYR QD . . 3.230 2.680 2.178 2.967 . 0 0 "[ . 1 . 2]" 1
492 1 34 LEU HB3 1 44 TYR H . . 4.730 3.620 2.999 3.887 . 0 0 "[ . 1 . 2]" 1
493 1 34 LEU QD 1 35 TYR H . . 3.970 3.484 3.149 3.837 . 0 0 "[ . 1 . 2]" 1
494 1 34 LEU QD 1 43 TYR HB2 . . 4.420 3.491 2.784 4.228 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU QD 1 43 TYR HB3 . . 3.960 2.804 2.264 3.495 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU QD 1 43 TYR QD . . 3.320 2.774 2.292 3.256 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU QD 1 43 TYR QE . . 3.970 3.669 2.928 3.991 0.021 10 0 "[ . 1 . 2]" 1
498 1 34 LEU QD 1 44 TYR H . . 4.990 4.216 3.700 4.551 . 0 0 "[ . 1 . 2]" 1
499 1 34 LEU QD 1 45 ASN H . . 4.610 3.984 3.305 4.381 . 0 0 "[ . 1 . 2]" 1
500 1 34 LEU QD 1 45 ASN HA . . 3.210 2.169 1.955 2.361 . 0 0 "[ . 1 . 2]" 1
501 1 34 LEU QD 1 45 ASN HB2 . . 3.310 2.615 2.293 3.063 . 0 0 "[ . 1 . 2]" 1
502 1 34 LEU QD 1 45 ASN HB3 . . 4.160 3.895 3.564 4.193 0.033 20 0 "[ . 1 . 2]" 1
503 1 34 LEU QD 1 45 ASN HD21 . . 4.740 4.704 4.491 4.797 0.057 17 0 "[ . 1 . 2]" 1
504 1 34 LEU QD 1 45 ASN HD22 . . 4.760 4.588 4.263 4.768 0.008 9 0 "[ . 1 . 2]" 1
505 1 34 LEU QD 1 46 ALA H . . 4.280 3.695 3.043 4.186 . 0 0 "[ . 1 . 2]" 1
506 1 34 LEU QD 1 46 ALA MB . . 5.470 4.568 4.012 4.986 . 0 0 "[ . 1 . 2]" 1
507 1 34 LEU QD 1 47 GLN H . . 5.500 4.253 3.714 4.654 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU QD 1 47 GLN HE21 . . 5.500 4.750 3.662 5.437 . 0 0 "[ . 1 . 2]" 1
509 1 34 LEU QD 1 52 LEU HB3 . . 5.500 4.258 3.930 4.783 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU QD 1 52 LEU QD . . 5.500 2.271 1.940 3.612 . 0 0 "[ . 1 . 2]" 1
511 1 34 LEU QD 1 61 TYR QB . . 4.790 3.222 2.747 3.982 . 0 0 "[ . 1 . 2]" 1
512 1 34 LEU QD 1 61 TYR QD . . 3.600 2.918 2.562 3.594 . 0 0 "[ . 1 . 2]" 1
513 1 34 LEU QD 1 61 TYR QE . . 3.590 2.695 2.373 3.042 . 0 0 "[ . 1 . 2]" 1
514 1 35 TYR H 1 35 TYR HB2 . . 3.550 2.553 2.338 2.706 . 0 0 "[ . 1 . 2]" 1
515 1 35 TYR H 1 35 TYR HB3 . . 3.790 3.690 3.590 3.764 . 0 0 "[ . 1 . 2]" 1
516 1 35 TYR H 1 35 TYR QD . . 3.070 3.028 2.732 3.160 0.090 8 0 "[ . 1 . 2]" 1
517 1 35 TYR H 1 36 TYR H . . 5.110 4.396 4.317 4.488 . 0 0 "[ . 1 . 2]" 1
518 1 35 TYR H 1 43 TYR HA . . 5.500 4.588 4.225 4.864 . 0 0 "[ . 1 . 2]" 1
519 1 35 TYR H 1 44 TYR H . . 3.950 2.835 2.495 3.093 . 0 0 "[ . 1 . 2]" 1
520 1 35 TYR H 1 44 TYR HB3 . . 4.640 3.321 2.840 3.577 . 0 0 "[ . 1 . 2]" 1
521 1 35 TYR H 1 44 TYR QD . . 3.900 3.923 3.701 3.998 0.098 5 0 "[ . 1 . 2]" 1
522 1 35 TYR H 1 45 ASN HA . . 4.980 4.036 3.774 4.449 . 0 0 "[ . 1 . 2]" 1
523 1 35 TYR HA 1 35 TYR QD . . 3.250 3.115 2.983 3.205 . 0 0 "[ . 1 . 2]" 1
524 1 35 TYR HA 1 36 TYR H . . 3.130 2.335 2.160 2.495 . 0 0 "[ . 1 . 2]" 1
525 1 35 TYR HB2 1 36 TYR H . . 4.300 3.880 3.603 4.299 . 0 0 "[ . 1 . 2]" 1
526 1 35 TYR HB2 1 44 TYR H . . 4.420 3.425 3.196 3.718 . 0 0 "[ . 1 . 2]" 1
527 1 35 TYR HB2 1 44 TYR HB2 . . 3.720 3.792 3.771 3.806 0.086 4 0 "[ . 1 . 2]" 1
528 1 35 TYR HB2 1 44 TYR HB3 . . 3.900 2.102 2.060 2.196 . 0 0 "[ . 1 . 2]" 1
529 1 35 TYR HB2 1 44 TYR QD . . 3.590 2.310 2.049 2.564 . 0 0 "[ . 1 . 2]" 1
530 1 35 TYR HB3 1 36 TYR H . . 4.020 2.634 2.272 3.264 . 0 0 "[ . 1 . 2]" 1
531 1 35 TYR HB3 1 44 TYR H . . 4.460 4.218 3.950 4.524 0.064 1 0 "[ . 1 . 2]" 1
532 1 35 TYR HB3 1 44 TYR HB3 . . 3.870 3.231 2.953 3.556 . 0 0 "[ . 1 . 2]" 1
533 1 35 TYR HB3 1 44 TYR QD . . 4.420 3.699 2.969 4.063 . 0 0 "[ . 1 . 2]" 1
534 1 35 TYR QD 1 36 TYR H . . 4.010 3.672 3.333 4.072 0.062 12 0 "[ . 1 . 2]" 1
535 1 35 TYR QD 1 44 TYR HB3 . . 4.150 4.072 3.782 4.219 0.069 4 0 "[ . 1 . 2]" 1
536 1 35 TYR QD 1 44 TYR QD . . 3.520 2.998 2.641 3.478 . 0 0 "[ . 1 . 2]" 1
537 1 35 TYR QD 1 46 ALA H . . 5.120 3.489 2.893 3.896 . 0 0 "[ . 1 . 2]" 1
538 1 35 TYR QD 1 46 ALA MB . . 3.130 2.798 2.378 3.241 0.111 8 0 "[ . 1 . 2]" 1
539 1 35 TYR QE 1 46 ALA H . . 5.110 4.915 4.023 5.203 0.093 18 0 "[ . 1 . 2]" 1
540 1 35 TYR QE 1 46 ALA MB . . 3.500 3.048 2.328 3.475 . 0 0 "[ . 1 . 2]" 1
541 1 36 TYR H 1 36 TYR HB2 . . 3.910 3.186 2.805 3.420 . 0 0 "[ . 1 . 2]" 1
542 1 36 TYR H 1 36 TYR HB3 . . 3.640 2.530 2.347 2.732 . 0 0 "[ . 1 . 2]" 1
543 1 36 TYR H 1 36 TYR QD . . 4.930 4.137 3.991 4.279 . 0 0 "[ . 1 . 2]" 1
544 1 36 TYR H 1 37 ASP H . . 5.010 4.455 4.330 4.691 . 0 0 "[ . 1 . 2]" 1
545 1 36 TYR H 1 43 TYR HA . . 5.500 4.928 4.595 5.192 . 0 0 "[ . 1 . 2]" 1
546 1 36 TYR H 1 44 TYR H . . 5.210 4.635 4.383 4.930 . 0 0 "[ . 1 . 2]" 1
547 1 36 TYR HA 1 36 TYR QD . . 2.960 2.955 2.707 3.051 0.091 19 0 "[ . 1 . 2]" 1
548 1 36 TYR HA 1 37 ASP H . . 3.010 2.373 2.243 2.553 . 0 0 "[ . 1 . 2]" 1
549 1 36 TYR HA 1 37 ASP HB2 . . 4.690 4.439 4.030 4.610 . 0 0 "[ . 1 . 2]" 1
550 1 36 TYR HA 1 43 TYR HA . . 3.270 2.521 2.089 2.842 . 0 0 "[ . 1 . 2]" 1
551 1 36 TYR HA 1 43 TYR QD . . 4.590 3.913 3.527 4.355 . 0 0 "[ . 1 . 2]" 1
552 1 36 TYR HA 1 44 TYR H . . 4.600 3.513 3.250 4.052 . 0 0 "[ . 1 . 2]" 1
553 1 36 TYR HB2 1 37 ASP H . . 4.440 3.972 3.859 4.131 . 0 0 "[ . 1 . 2]" 1
554 1 36 TYR HB2 1 43 TYR QD . . 4.220 3.314 2.881 3.713 . 0 0 "[ . 1 . 2]" 1
555 1 36 TYR HB2 1 43 TYR QE . . 3.310 3.041 2.717 3.392 0.082 13 0 "[ . 1 . 2]" 1
556 1 36 TYR HB3 1 37 ASP H . . 5.130 3.974 3.779 4.166 . 0 0 "[ . 1 . 2]" 1
557 1 36 TYR HB3 1 43 TYR QD . . 5.500 4.792 4.445 5.211 . 0 0 "[ . 1 . 2]" 1
558 1 36 TYR QD 1 37 ASP H . . 3.360 3.184 2.874 3.432 0.072 11 0 "[ . 1 . 2]" 1
559 1 36 TYR QD 1 38 PRO HB3 . . 5.040 4.773 4.450 5.113 0.073 16 0 "[ . 1 . 2]" 1
560 1 36 TYR QD 1 38 PRO HD3 . . 4.090 3.926 3.326 4.150 0.060 5 0 "[ . 1 . 2]" 1
561 1 36 TYR QD 1 43 TYR HA . . 4.930 3.779 3.221 4.710 . 0 0 "[ . 1 . 2]" 1
562 1 36 TYR QE 1 37 ASP H . . 5.300 4.059 3.678 4.429 . 0 0 "[ . 1 . 2]" 1
563 1 36 TYR QE 1 38 PRO HA . . 3.070 2.477 2.232 2.806 . 0 0 "[ . 1 . 2]" 1
564 1 36 TYR QE 1 38 PRO HB3 . . 4.050 3.593 3.100 4.126 0.076 5 0 "[ . 1 . 2]" 1
565 1 36 TYR QE 1 38 PRO HD3 . . 5.500 4.199 3.536 4.669 . 0 0 "[ . 1 . 2]" 1
566 1 36 TYR QE 1 40 SER H . . 5.500 5.536 5.368 5.594 0.094 11 0 "[ . 1 . 2]" 1
567 1 36 TYR QE 1 41 GLN H . . 4.980 4.849 4.581 5.060 0.080 11 0 "[ . 1 . 2]" 1
568 1 36 TYR QE 1 41 GLN HA . . 2.800 2.407 2.146 2.875 0.075 18 0 "[ . 1 . 2]" 1
569 1 36 TYR QE 1 41 GLN QB . . 4.890 3.076 2.815 3.124 . 0 0 "[ . 1 . 2]" 1
570 1 36 TYR QE 1 41 GLN HB3 . . 3.090 3.136 2.862 3.185 0.095 13 0 "[ . 1 . 2]" 1
571 1 36 TYR QE 1 41 GLN HE21 . . 3.740 3.367 2.936 3.834 0.094 9 0 "[ . 1 . 2]" 1
572 1 36 TYR QE 1 41 GLN HG2 . . 5.140 3.832 3.268 4.504 . 0 0 "[ . 1 . 2]" 1
573 1 36 TYR QE 1 41 GLN HG3 . . 2.960 2.403 2.168 3.022 0.062 5 0 "[ . 1 . 2]" 1
574 1 37 ASP H 1 37 ASP HB2 . . 3.270 3.077 2.266 3.256 . 0 0 "[ . 1 . 2]" 1
575 1 37 ASP H 1 37 ASP HB3 . . 3.330 2.628 2.358 2.974 . 0 0 "[ . 1 . 2]" 1
576 1 37 ASP H 1 42 TYR H . . 4.960 4.829 4.205 5.030 0.070 14 0 "[ . 1 . 2]" 1
577 1 37 ASP H 1 43 TYR HA . . 4.140 4.114 3.566 4.222 0.082 18 0 "[ . 1 . 2]" 1
578 1 37 ASP H 1 43 TYR QD . . 5.500 5.465 5.339 5.582 0.082 9 0 "[ . 1 . 2]" 1
579 1 37 ASP HA 1 38 PRO HD2 . . 3.080 2.293 2.090 2.414 . 0 0 "[ . 1 . 2]" 1
580 1 37 ASP HA 1 38 PRO HD3 . . 3.210 2.478 2.218 2.718 . 0 0 "[ . 1 . 2]" 1
581 1 37 ASP HA 1 38 PRO QG . . 4.470 4.015 3.908 4.093 . 0 0 "[ . 1 . 2]" 1
582 1 37 ASP HA 1 39 ASN H . . 4.330 4.286 4.148 4.400 0.070 9 0 "[ . 1 . 2]" 1
583 1 37 ASP HB2 1 38 PRO HD2 . . 4.770 3.918 3.777 4.444 . 0 0 "[ . 1 . 2]" 1
584 1 37 ASP HB3 1 38 PRO HA . . 5.110 5.162 4.911 5.191 0.081 7 0 "[ . 1 . 2]" 1
585 1 37 ASP HB3 1 39 ASN H . . 4.530 3.894 3.288 4.390 . 0 0 "[ . 1 . 2]" 1
586 1 37 ASP HB3 1 40 SER H . . 5.090 2.651 2.276 3.074 . 0 0 "[ . 1 . 2]" 1
587 1 37 ASP HB3 1 41 GLN H . . 5.030 5.039 4.801 5.111 0.081 19 0 "[ . 1 . 2]" 1
588 1 37 ASP HB3 1 42 TYR H . . 4.850 4.485 3.947 4.895 0.045 20 0 "[ . 1 . 2]" 1
589 1 38 PRO HA 1 40 SER H . . 4.860 4.251 4.073 4.491 . 0 0 "[ . 1 . 2]" 1
590 1 38 PRO HB2 1 39 ASN H . . 4.310 3.578 3.292 3.800 . 0 0 "[ . 1 . 2]" 1
591 1 38 PRO HB3 1 39 ASN H . . 4.440 4.344 4.240 4.467 0.027 4 0 "[ . 1 . 2]" 1
592 1 38 PRO HD2 1 39 ASN H . . 3.750 3.051 2.789 3.369 . 0 0 "[ . 1 . 2]" 1
593 1 38 PRO HD2 1 39 ASN HD21 . . 5.500 4.951 3.807 5.552 0.052 14 0 "[ . 1 . 2]" 1
594 1 38 PRO HD3 1 39 ASN H . . 4.410 4.100 3.932 4.234 . 0 0 "[ . 1 . 2]" 1
595 1 38 PRO QG 1 39 ASN H . . 3.440 2.469 2.270 2.652 . 0 0 "[ . 1 . 2]" 1
596 1 38 PRO QG 1 39 ASN HD21 . . 4.960 3.340 2.302 4.391 . 0 0 "[ . 1 . 2]" 1
597 1 38 PRO QG 1 39 ASN HD22 . . 5.260 4.352 3.141 4.973 . 0 0 "[ . 1 . 2]" 1
598 1 38 PRO QG 1 40 SER H . . 4.340 4.423 4.401 4.433 0.093 17 0 "[ . 1 . 2]" 1
599 1 39 ASN H 1 39 ASN HB2 . . 3.370 2.214 2.102 2.295 . 0 0 "[ . 1 . 2]" 1
600 1 39 ASN H 1 39 ASN HB3 . . 3.210 3.416 3.209 3.462 0.252 4 0 "[ . 1 . 2]" 1
601 1 39 ASN H 1 39 ASN HD22 . . 4.780 4.616 4.107 4.861 0.081 14 0 "[ . 1 . 2]" 1
602 1 39 ASN H 1 40 SER H . . 2.720 2.164 1.967 2.392 . 0 0 "[ . 1 . 2]" 1
603 1 39 ASN HA 1 39 ASN HB3 . . 2.970 2.664 2.451 2.851 . 0 0 "[ . 1 . 2]" 1
604 1 39 ASN HA 1 39 ASN HD22 . . 5.500 4.169 3.282 4.700 . 0 0 "[ . 1 . 2]" 1
605 1 39 ASN HA 1 41 GLN H . . 5.500 5.300 4.631 5.564 0.064 17 0 "[ . 1 . 2]" 1
606 1 39 ASN HB2 1 39 ASN HD21 . . 3.480 2.355 2.197 2.950 . 0 0 "[ . 1 . 2]" 1
607 1 39 ASN HB2 1 39 ASN HD22 . . 4.000 3.570 3.518 3.819 . 0 0 "[ . 1 . 2]" 1
608 1 39 ASN HB2 1 40 SER H . . 3.570 3.067 2.586 3.396 . 0 0 "[ . 1 . 2]" 1
609 1 39 ASN HB2 1 40 SER HA . . 4.890 4.939 4.337 5.313 0.423 14 0 "[ . 1 . 2]" 1
610 1 39 ASN HB3 1 40 SER H . . 3.550 3.537 3.125 3.663 0.113 11 0 "[ . 1 . 2]" 1
611 1 40 SER H 1 40 SER QB . . 3.230 2.715 2.386 3.086 . 0 0 "[ . 1 . 2]" 1
612 1 40 SER H 1 41 GLN HA . . 4.920 4.707 4.386 4.982 0.062 7 0 "[ . 1 . 2]" 1
613 1 40 SER H 1 41 GLN HE22 . . 4.390 3.962 3.324 4.457 0.067 14 0 "[ . 1 . 2]" 1
614 1 40 SER H 1 42 TYR H . . 5.040 4.896 4.668 5.092 0.052 5 0 "[ . 1 . 2]" 1
615 1 40 SER HA 1 40 SER QB . . 2.720 2.277 2.125 2.428 . 0 0 "[ . 1 . 2]" 1
616 1 40 SER HA 1 42 TYR H . . 4.960 3.415 2.716 3.834 . 0 0 "[ . 1 . 2]" 1
617 1 40 SER QB 1 41 GLN H . . 4.750 3.774 3.638 4.077 . 0 0 "[ . 1 . 2]" 1
618 1 40 SER QB 1 42 TYR QD . . 4.340 2.702 2.163 3.853 . 0 0 "[ . 1 . 2]" 1
619 1 40 SER QB 1 42 TYR QE . . 4.960 4.207 3.359 4.760 . 0 0 "[ . 1 . 2]" 1
620 1 41 GLN H 1 41 GLN HA . . 2.820 2.809 2.724 2.872 0.052 1 0 "[ . 1 . 2]" 1
621 1 41 GLN H 1 41 GLN QB . . 3.820 2.362 2.185 2.506 . 0 0 "[ . 1 . 2]" 1
622 1 41 GLN H 1 41 GLN HG2 . . 4.130 3.803 3.597 3.970 . 0 0 "[ . 1 . 2]" 1
623 1 41 GLN H 1 41 GLN HG3 . . 3.900 3.618 3.263 3.951 0.051 11 0 "[ . 1 . 2]" 1
624 1 41 GLN H 1 42 TYR H . . 3.260 2.984 2.679 3.327 0.067 2 0 "[ . 1 . 2]" 1
625 1 41 GLN HA 1 41 GLN HG2 . . 3.550 3.627 3.589 3.639 0.089 2 0 "[ . 1 . 2]" 1
626 1 41 GLN HA 1 41 GLN HG3 . . 3.450 2.459 2.352 2.648 . 0 0 "[ . 1 . 2]" 1
627 1 41 GLN HA 1 42 TYR H . . 3.380 3.275 3.013 3.398 0.018 10 0 "[ . 1 . 2]" 1
628 1 41 GLN QB 1 42 TYR H . . 4.520 3.507 3.235 3.810 . 0 0 "[ . 1 . 2]" 1
629 1 42 TYR H 1 42 TYR HB2 . . 3.340 2.516 2.431 2.647 . 0 0 "[ . 1 . 2]" 1
630 1 42 TYR H 1 42 TYR HB3 . . 4.110 3.612 3.578 3.739 . 0 0 "[ . 1 . 2]" 1
631 1 42 TYR H 1 42 TYR QD . . 4.360 2.993 2.563 3.496 . 0 0 "[ . 1 . 2]" 1
632 1 42 TYR H 1 43 TYR H . . 4.750 4.298 4.073 4.565 . 0 0 "[ . 1 . 2]" 1
633 1 42 TYR HA 1 42 TYR QD . . 3.040 2.360 2.197 2.626 . 0 0 "[ . 1 . 2]" 1
634 1 42 TYR HA 1 42 TYR QE . . 5.270 4.474 4.277 4.605 . 0 0 "[ . 1 . 2]" 1
635 1 42 TYR HA 1 43 TYR H . . 2.990 2.133 2.069 2.360 . 0 0 "[ . 1 . 2]" 1
636 1 42 TYR HA 1 43 TYR HB2 . . 5.160 4.336 4.229 4.484 . 0 0 "[ . 1 . 2]" 1
637 1 42 TYR HA 1 53 TYR HA . . 4.370 3.055 2.673 3.409 . 0 0 "[ . 1 . 2]" 1
638 1 42 TYR HA 1 53 TYR HB2 . . 5.150 3.931 3.478 4.395 . 0 0 "[ . 1 . 2]" 1
639 1 42 TYR HA 1 53 TYR HB3 . . 4.900 3.141 2.681 3.597 . 0 0 "[ . 1 . 2]" 1
640 1 42 TYR HB2 1 43 TYR H . . 4.390 4.279 3.601 4.442 0.052 12 0 "[ . 1 . 2]" 1
641 1 42 TYR HB2 1 51 TYR HB3 . . 4.830 4.243 3.736 4.905 0.075 12 0 "[ . 1 . 2]" 1
642 1 42 TYR HB3 1 43 TYR H . . 4.090 3.602 2.633 3.991 . 0 0 "[ . 1 . 2]" 1
643 1 42 TYR HB3 1 51 TYR HA . . 4.930 4.519 4.078 4.992 0.062 12 0 "[ . 1 . 2]" 1
644 1 42 TYR HB3 1 51 TYR HB2 . . 4.910 4.637 4.120 4.999 0.089 12 0 "[ . 1 . 2]" 1
645 1 42 TYR HB3 1 51 TYR HB3 . . 4.130 2.963 2.459 3.399 . 0 0 "[ . 1 . 2]" 1
646 1 42 TYR HB3 1 51 TYR QD . . 2.880 2.628 2.225 2.967 0.087 6 0 "[ . 1 . 2]" 1
647 1 42 TYR HB3 1 52 LEU H . . 5.390 3.839 3.411 4.748 . 0 0 "[ . 1 . 2]" 1
648 1 42 TYR QD 1 43 TYR H . . 4.640 4.126 3.752 4.466 . 0 0 "[ . 1 . 2]" 1
649 1 42 TYR QD 1 64 ALA MB . . 3.490 2.201 2.022 2.479 . 0 0 "[ . 1 . 2]" 1
650 1 42 TYR QE 1 53 TYR HB2 . . 4.610 4.567 4.089 4.693 0.083 3 0 "[ . 1 . 2]" 1
651 1 42 TYR QE 1 53 TYR HB3 . . 4.440 3.667 2.990 3.963 . 0 0 "[ . 1 . 2]" 1
652 1 42 TYR QE 1 64 ALA MB . . 2.870 2.875 2.560 2.989 0.119 3 0 "[ . 1 . 2]" 1
653 1 43 TYR H 1 43 TYR HB2 . . 3.730 2.287 2.197 2.446 . 0 0 "[ . 1 . 2]" 1
654 1 43 TYR H 1 43 TYR HB3 . . 3.790 3.532 3.472 3.588 . 0 0 "[ . 1 . 2]" 1
655 1 43 TYR H 1 43 TYR QD . . 2.820 2.287 2.110 2.808 . 0 0 "[ . 1 . 2]" 1
656 1 43 TYR H 1 52 LEU HB2 . . 5.290 3.903 3.534 4.094 . 0 0 "[ . 1 . 2]" 1
657 1 43 TYR H 1 53 TYR HA . . 5.150 2.600 2.295 3.014 . 0 0 "[ . 1 . 2]" 1
658 1 43 TYR HA 1 43 TYR QD . . 4.020 3.132 2.985 3.257 . 0 0 "[ . 1 . 2]" 1
659 1 43 TYR HA 1 44 TYR H . . 3.250 2.275 2.155 2.399 . 0 0 "[ . 1 . 2]" 1
660 1 43 TYR HB2 1 52 LEU HB2 . . 3.690 2.454 2.211 2.734 . 0 0 "[ . 1 . 2]" 1
661 1 43 TYR HB2 1 52 LEU HB3 . . 3.820 3.817 3.625 3.899 0.079 20 0 "[ . 1 . 2]" 1
662 1 43 TYR HB3 1 44 TYR H . . 3.880 2.838 2.278 3.527 . 0 0 "[ . 1 . 2]" 1
663 1 43 TYR HB3 1 52 LEU HB2 . . 4.010 3.442 3.180 3.770 . 0 0 "[ . 1 . 2]" 1
664 1 43 TYR QD 1 44 TYR H . . 4.870 3.844 3.378 4.275 . 0 0 "[ . 1 . 2]" 1
665 1 43 TYR QD 1 53 TYR HA . . 3.190 2.313 1.966 2.825 . 0 0 "[ . 1 . 2]" 1
666 1 43 TYR QD 1 54 TRP H . . 3.880 2.787 2.430 3.171 . 0 0 "[ . 1 . 2]" 1
667 1 43 TYR QD 1 54 TRP HB2 . . 5.110 3.949 3.498 4.379 . 0 0 "[ . 1 . 2]" 1
668 1 43 TYR QE 1 54 TRP H . . 3.450 2.847 2.240 3.524 0.074 9 0 "[ . 1 . 2]" 1
669 1 43 TYR QE 1 54 TRP HB2 . . 3.040 2.924 2.456 3.125 0.085 17 0 "[ . 1 . 2]" 1
670 1 44 TYR H 1 44 TYR HB2 . . 3.910 3.056 2.752 3.223 . 0 0 "[ . 1 . 2]" 1
671 1 44 TYR H 1 44 TYR HB3 . . 3.870 2.468 2.285 2.641 . 0 0 "[ . 1 . 2]" 1
672 1 44 TYR H 1 44 TYR QD . . 4.450 4.220 4.148 4.302 . 0 0 "[ . 1 . 2]" 1
673 1 44 TYR H 1 45 ASN H . . 5.500 4.266 4.103 4.490 . 0 0 "[ . 1 . 2]" 1
674 1 44 TYR HA 1 44 TYR QD . . 2.820 2.515 2.355 2.862 0.042 19 0 "[ . 1 . 2]" 1
675 1 44 TYR HA 1 45 ASN H . . 2.950 2.059 1.973 2.125 . 0 0 "[ . 1 . 2]" 1
676 1 44 TYR HA 1 45 ASN HB2 . . 4.720 4.557 4.178 4.798 0.078 1 0 "[ . 1 . 2]" 1
677 1 44 TYR HA 1 45 ASN HB3 . . 4.870 4.362 4.073 4.499 . 0 0 "[ . 1 . 2]" 1
678 1 44 TYR HA 1 46 ALA H . . 4.920 4.879 4.654 4.999 0.079 11 0 "[ . 1 . 2]" 1
679 1 44 TYR HA 1 51 TYR HA . . 3.330 2.698 2.392 2.878 . 0 0 "[ . 1 . 2]" 1
680 1 44 TYR HA 1 51 TYR QD . . 4.280 3.867 3.469 4.134 . 0 0 "[ . 1 . 2]" 1
681 1 44 TYR HA 1 52 LEU H . . 4.160 3.720 3.318 3.978 . 0 0 "[ . 1 . 2]" 1
682 1 44 TYR HB2 1 45 ASN H . . 4.670 4.178 4.012 4.358 . 0 0 "[ . 1 . 2]" 1
683 1 44 TYR HB2 1 51 TYR HA . . 4.640 4.595 4.192 4.725 0.085 4 0 "[ . 1 . 2]" 1
684 1 44 TYR HB2 1 51 TYR QE . . 4.380 4.033 3.243 4.481 0.101 15 0 "[ . 1 . 2]" 1
685 1 44 TYR HB3 1 45 ASN H . . 5.500 4.304 4.039 4.488 . 0 0 "[ . 1 . 2]" 1
686 1 44 TYR QD 1 45 ASN H . . 3.290 3.225 2.860 3.396 0.106 15 0 "[ . 1 . 2]" 1
687 1 44 TYR QD 1 46 ALA HA . . 3.820 3.772 3.527 3.896 0.076 6 0 "[ . 1 . 2]" 1
688 1 44 TYR QD 1 46 ALA MB . . 3.450 3.079 2.803 3.512 0.062 1 0 "[ . 1 . 2]" 1
689 1 44 TYR QD 1 51 TYR H . . 5.500 5.274 4.520 5.573 0.073 19 0 "[ . 1 . 2]" 1
690 1 44 TYR QD 1 51 TYR HA . . 4.710 3.811 3.241 4.155 . 0 0 "[ . 1 . 2]" 1
691 1 44 TYR QD 1 51 TYR QE . . 3.860 2.790 2.457 3.493 . 0 0 "[ . 1 . 2]" 1
692 1 44 TYR QE 1 45 ASN H . . 5.500 4.547 4.230 4.731 . 0 0 "[ . 1 . 2]" 1
693 1 44 TYR QE 1 46 ALA H . . 5.500 3.972 3.583 4.270 . 0 0 "[ . 1 . 2]" 1
694 1 44 TYR QE 1 46 ALA HA . . 2.550 2.586 2.230 2.649 0.099 12 0 "[ . 1 . 2]" 1
695 1 44 TYR QE 1 46 ALA MB . . 2.730 2.534 2.239 2.812 0.082 15 0 "[ . 1 . 2]" 1
696 1 44 TYR QE 1 49 GLN H . . 4.970 4.535 3.866 5.007 0.037 15 0 "[ . 1 . 2]" 1
697 1 44 TYR QE 1 49 GLN HA . . 3.930 2.688 2.074 3.365 . 0 0 "[ . 1 . 2]" 1
698 1 44 TYR QE 1 49 GLN HB2 . . 5.380 4.238 2.803 4.940 . 0 0 "[ . 1 . 2]" 1
699 1 44 TYR QE 1 49 GLN HB3 . . 3.350 3.140 2.541 3.914 0.564 15 1 "[ . 1 + 2]" 1
700 1 44 TYR QE 1 50 GLN H . . 5.180 4.399 3.799 4.894 . 0 0 "[ . 1 . 2]" 1
701 1 44 TYR QE 1 51 TYR QE . . 3.380 3.228 2.572 3.466 0.086 20 0 "[ . 1 . 2]" 1
702 1 45 ASN H 1 45 ASN HB2 . . 3.660 2.887 2.676 3.191 . 0 0 "[ . 1 . 2]" 1
703 1 45 ASN H 1 45 ASN HB3 . . 3.040 2.398 2.319 2.536 . 0 0 "[ . 1 . 2]" 1
704 1 45 ASN H 1 46 ALA H . . 4.790 3.813 3.617 3.982 . 0 0 "[ . 1 . 2]" 1
705 1 45 ASN H 1 49 GLN H . . 5.500 5.395 5.081 5.563 0.063 5 0 "[ . 1 . 2]" 1
706 1 45 ASN H 1 49 GLN HA . . 5.500 4.644 4.160 4.908 . 0 0 "[ . 1 . 2]" 1
707 1 45 ASN H 1 50 GLN H . . 4.070 3.601 3.288 3.917 . 0 0 "[ . 1 . 2]" 1
708 1 45 ASN H 1 50 GLN QB . . 5.500 4.086 3.754 4.443 . 0 0 "[ . 1 . 2]" 1
709 1 45 ASN H 1 51 TYR HA . . 4.270 3.175 2.860 3.691 . 0 0 "[ . 1 . 2]" 1
710 1 45 ASN H 1 52 LEU H . . 5.390 4.219 3.718 4.680 . 0 0 "[ . 1 . 2]" 1
711 1 45 ASN H 1 52 LEU QD . . 5.500 4.022 3.680 4.329 . 0 0 "[ . 1 . 2]" 1
712 1 45 ASN H 1 52 LEU HG . . 3.990 3.728 3.210 4.067 0.077 19 0 "[ . 1 . 2]" 1
713 1 45 ASN HA 1 45 ASN HD22 . . 4.650 4.691 4.405 4.726 0.076 19 0 "[ . 1 . 2]" 1
714 1 45 ASN HA 1 46 ALA H . . 2.810 2.327 2.222 2.412 . 0 0 "[ . 1 . 2]" 1
715 1 45 ASN HA 1 46 ALA MB . . 4.170 4.055 3.950 4.150 . 0 0 "[ . 1 . 2]" 1
716 1 45 ASN HA 1 47 GLN H . . 4.130 3.479 3.305 3.635 . 0 0 "[ . 1 . 2]" 1
717 1 45 ASN HB2 1 45 ASN HD21 . . 3.660 3.151 2.994 3.376 . 0 0 "[ . 1 . 2]" 1
718 1 45 ASN HB2 1 46 ALA H . . 4.620 4.585 4.491 4.665 0.045 20 0 "[ . 1 . 2]" 1
719 1 45 ASN HB2 1 50 GLN H . . 4.570 4.409 4.003 4.631 0.061 6 0 "[ . 1 . 2]" 1
720 1 45 ASN HB2 1 50 GLN QB . . 5.160 3.785 3.439 4.256 . 0 0 "[ . 1 . 2]" 1
721 1 45 ASN HB2 1 52 LEU HG . . 3.520 2.516 2.197 3.270 . 0 0 "[ . 1 . 2]" 1
722 1 45 ASN HB3 1 45 ASN HD21 . . 3.490 2.229 2.115 2.336 . 0 0 "[ . 1 . 2]" 1
723 1 45 ASN HB3 1 46 ALA H . . 4.900 4.516 4.468 4.569 . 0 0 "[ . 1 . 2]" 1
724 1 45 ASN HB3 1 48 SER H . . 4.820 3.891 3.698 4.053 . 0 0 "[ . 1 . 2]" 1
725 1 45 ASN HB3 1 49 GLN HA . . 4.830 4.865 4.646 4.912 0.082 5 0 "[ . 1 . 2]" 1
726 1 45 ASN HB3 1 50 GLN H . . 3.990 2.667 2.332 2.908 . 0 0 "[ . 1 . 2]" 1
727 1 45 ASN HB3 1 50 GLN HA . . 4.980 4.400 4.058 4.732 . 0 0 "[ . 1 . 2]" 1
728 1 45 ASN HB3 1 50 GLN QB . . 3.850 2.575 2.230 3.102 . 0 0 "[ . 1 . 2]" 1
729 1 45 ASN HB3 1 52 LEU HG . . 4.410 3.078 2.841 3.355 . 0 0 "[ . 1 . 2]" 1
730 1 45 ASN HD21 1 47 GLN H . . 5.490 5.014 4.053 5.430 . 0 0 "[ . 1 . 2]" 1
731 1 45 ASN HD21 1 47 GLN HB2 . . 5.000 4.846 4.083 5.072 0.072 11 0 "[ . 1 . 2]" 1
732 1 45 ASN HD21 1 48 SER H . . 3.960 3.142 2.252 3.737 . 0 0 "[ . 1 . 2]" 1
733 1 45 ASN HD21 1 48 SER HB2 . . 5.360 2.568 2.135 3.207 . 0 0 "[ . 1 . 2]" 1
734 1 45 ASN HD21 1 48 SER HB3 . . 4.870 3.970 2.346 4.593 . 0 0 "[ . 1 . 2]" 1
735 1 45 ASN HD21 1 50 GLN HA . . 4.840 4.915 4.881 4.939 0.099 20 0 "[ . 1 . 2]" 1
736 1 45 ASN HD21 1 50 GLN QE . . 5.440 4.618 3.650 5.112 . 0 0 "[ . 1 . 2]" 1
737 1 45 ASN HD22 1 48 SER H . . 3.880 2.957 2.248 3.776 . 0 0 "[ . 1 . 2]" 1
738 1 46 ALA H 1 46 ALA MB . . 2.940 2.201 2.153 2.257 . 0 0 "[ . 1 . 2]" 1
739 1 46 ALA H 1 47 GLN H . . 3.240 2.859 2.696 2.998 . 0 0 "[ . 1 . 2]" 1
740 1 46 ALA H 1 47 GLN HA . . 5.500 5.387 5.254 5.534 0.034 15 0 "[ . 1 . 2]" 1
741 1 46 ALA H 1 48 SER H . . 5.260 4.753 4.500 5.322 0.062 17 0 "[ . 1 . 2]" 1
742 1 46 ALA H 1 49 GLN H . . 5.500 4.844 4.676 5.179 . 0 0 "[ . 1 . 2]" 1
743 1 46 ALA HA 1 48 SER H . . 5.040 4.274 3.807 4.972 . 0 0 "[ . 1 . 2]" 1
744 1 46 ALA HA 1 49 GLN H . . 4.210 3.162 2.960 3.492 . 0 0 "[ . 1 . 2]" 1
745 1 46 ALA HA 1 50 GLN H . . 4.710 4.537 4.297 4.784 0.074 15 0 "[ . 1 . 2]" 1
746 1 46 ALA MB 1 47 GLN H . . 3.650 2.628 2.442 3.036 . 0 0 "[ . 1 . 2]" 1
747 1 46 ALA MB 1 47 GLN HA . . 4.610 3.841 3.694 4.108 . 0 0 "[ . 1 . 2]" 1
748 1 46 ALA MB 1 47 GLN QG . . 4.540 4.635 4.454 4.658 0.118 13 0 "[ . 1 . 2]" 1
749 1 46 ALA MB 1 48 SER H . . 5.500 4.689 4.408 5.324 . 0 0 "[ . 1 . 2]" 1
750 1 46 ALA MB 1 49 GLN H . . 5.070 4.326 4.100 4.668 . 0 0 "[ . 1 . 2]" 1
751 1 47 GLN H 1 47 GLN HB2 . . 3.040 1.972 1.890 2.060 . 0 0 "[ . 1 . 2]" 1
752 1 47 GLN H 1 47 GLN HB3 . . 3.270 3.049 2.903 3.311 0.041 17 0 "[ . 1 . 2]" 1
753 1 47 GLN H 1 47 GLN QG . . 3.370 3.447 3.299 3.482 0.112 13 0 "[ . 1 . 2]" 1
754 1 47 GLN H 1 48 SER H . . 3.130 3.037 2.737 3.173 0.043 18 0 "[ . 1 . 2]" 1
755 1 47 GLN H 1 49 GLN H . . 3.910 3.947 3.681 3.991 0.081 19 0 "[ . 1 . 2]" 1
756 1 47 GLN HA 1 47 GLN QG . . 3.030 2.200 2.126 2.321 . 0 0 "[ . 1 . 2]" 1
757 1 47 GLN HA 1 49 GLN H . . 4.610 4.380 4.147 4.673 0.063 20 0 "[ . 1 . 2]" 1
758 1 47 GLN HB2 1 47 GLN HE21 . . 3.620 2.816 2.091 3.637 0.017 20 0 "[ . 1 . 2]" 1
759 1 47 GLN HB3 1 47 GLN QG . . 2.790 2.389 2.314 2.455 . 0 0 "[ . 1 . 2]" 1
760 1 47 GLN HB3 1 48 SER H . . 3.490 2.663 2.111 3.411 . 0 0 "[ . 1 . 2]" 1
761 1 47 GLN QG 1 48 SER HA . . 4.910 4.951 4.620 5.005 0.095 17 0 "[ . 1 . 2]" 1
762 1 48 SER H 1 48 SER HB2 . . 3.870 2.719 2.406 3.111 . 0 0 "[ . 1 . 2]" 1
763 1 48 SER H 1 48 SER HB3 . . 3.720 3.690 2.789 3.903 0.183 2 0 "[ . 1 . 2]" 1
764 1 48 SER H 1 49 GLN H . . 3.060 2.185 1.645 2.684 . 0 0 "[ . 1 . 2]" 1
765 1 48 SER H 1 49 GLN HA . . 4.570 4.052 3.611 4.610 0.040 17 0 "[ . 1 . 2]" 1
766 1 48 SER H 1 50 GLN H . . 4.930 3.148 2.783 3.555 . 0 0 "[ . 1 . 2]" 1
767 1 48 SER HA 1 48 SER HB3 . . 2.950 2.530 2.297 3.016 0.066 18 0 "[ . 1 . 2]" 1
768 1 48 SER HA 1 49 GLN HG3 . . 4.290 3.944 3.472 4.375 0.085 4 0 "[ . 1 . 2]" 1
769 1 48 SER HB2 1 49 GLN H . . 4.460 3.973 3.512 4.321 . 0 0 "[ . 1 . 2]" 1
770 1 48 SER HB2 1 50 GLN H . . 5.220 3.495 2.926 4.745 . 0 0 "[ . 1 . 2]" 1
771 1 48 SER HB2 1 50 GLN QE . . 5.500 3.628 2.851 5.307 . 0 0 "[ . 1 . 2]" 1
772 1 48 SER HB2 1 50 GLN QG . . 3.920 3.627 2.124 4.653 0.733 16 2 "[ . - .+ 2]" 1
773 1 48 SER HB3 1 49 GLN H . . 4.890 4.398 3.905 4.623 . 0 0 "[ . 1 . 2]" 1
774 1 48 SER HB3 1 50 GLN QB . . 4.560 3.563 2.505 4.470 . 0 0 "[ . 1 . 2]" 1
775 1 48 SER HB3 1 50 GLN QG . . 4.570 3.834 2.099 4.631 0.061 4 0 "[ . 1 . 2]" 1
776 1 49 GLN H 1 49 GLN HA . . 2.740 2.208 2.141 2.247 . 0 0 "[ . 1 . 2]" 1
777 1 49 GLN H 1 49 GLN HB2 . . 3.970 3.680 3.471 4.014 0.044 15 0 "[ . 1 . 2]" 1
778 1 49 GLN H 1 49 GLN HG2 . . 3.970 3.208 2.552 3.995 0.025 4 0 "[ . 1 . 2]" 1
779 1 49 GLN H 1 49 GLN HG3 . . 3.510 2.948 2.369 3.604 0.094 15 0 "[ . 1 . 2]" 1
780 1 49 GLN H 1 50 GLN H . . 3.380 2.851 2.554 3.062 . 0 0 "[ . 1 . 2]" 1
781 1 49 GLN H 1 50 GLN QB . . 5.330 4.529 4.181 5.124 . 0 0 "[ . 1 . 2]" 1
782 1 49 GLN H 1 50 GLN QE . . 4.830 4.451 3.938 4.667 . 0 0 "[ . 1 . 2]" 1
783 1 49 GLN HA 1 49 GLN HB3 . . 3.000 2.392 2.153 2.496 . 0 0 "[ . 1 . 2]" 1
784 1 49 GLN HA 1 49 GLN HG2 . . 3.430 2.799 2.362 3.505 0.075 15 0 "[ . 1 . 2]" 1
785 1 49 GLN HA 1 49 GLN HG3 . . 3.520 3.243 2.354 3.615 0.095 8 0 "[ . 1 . 2]" 1
786 1 49 GLN HA 1 50 GLN H . . 3.530 2.810 2.419 3.029 . 0 0 "[ . 1 . 2]" 1
787 1 49 GLN HA 1 50 GLN HA . . 5.050 4.600 4.319 4.761 . 0 0 "[ . 1 . 2]" 1
788 1 50 GLN H 1 50 GLN QB . . 3.680 2.333 2.081 3.211 . 0 0 "[ . 1 . 2]" 1
789 1 50 GLN H 1 50 GLN QE . . 4.110 3.186 2.885 3.481 . 0 0 "[ . 1 . 2]" 1
790 1 50 GLN H 1 50 GLN QG . . 4.040 3.736 2.145 4.132 0.092 9 0 "[ . 1 . 2]" 1
791 1 50 GLN H 1 51 TYR H . . 4.890 4.570 4.427 4.704 . 0 0 "[ . 1 . 2]" 1
792 1 50 GLN H 1 51 TYR HA . . 5.500 5.211 4.881 5.464 . 0 0 "[ . 1 . 2]" 1
793 1 50 GLN H 1 51 TYR QD . . 5.370 4.898 4.332 5.444 0.074 7 0 "[ . 1 . 2]" 1
794 1 50 GLN H 1 52 LEU QD . . 5.500 4.790 4.220 4.975 . 0 0 "[ . 1 . 2]" 1
795 1 50 GLN HA 1 50 GLN QE . . 4.070 2.519 1.951 2.891 . 0 0 "[ . 1 . 2]" 1
796 1 50 GLN HA 1 51 TYR H . . 2.930 2.413 2.165 2.617 . 0 0 "[ . 1 . 2]" 1
797 1 50 GLN HA 1 51 TYR HB2 . . 4.800 4.415 4.164 4.637 . 0 0 "[ . 1 . 2]" 1
798 1 50 GLN HA 1 51 TYR QD . . 3.540 3.285 2.790 3.617 0.077 1 0 "[ . 1 . 2]" 1
799 1 50 GLN QB 1 51 TYR H . . 3.900 2.797 2.236 3.379 . 0 0 "[ . 1 . 2]" 1
800 1 50 GLN QB 1 52 LEU QD . . 4.420 2.833 2.059 3.218 . 0 0 "[ . 1 . 2]" 1
801 1 50 GLN QE 1 51 TYR H . . 4.900 4.422 4.082 4.811 . 0 0 "[ . 1 . 2]" 1
802 1 50 GLN QG 1 51 TYR H . . 4.220 3.021 2.147 4.312 0.092 18 0 "[ . 1 . 2]" 1
803 1 50 GLN QG 1 52 LEU QD . . 4.170 3.479 2.504 4.086 . 0 0 "[ . 1 . 2]" 1
804 1 51 TYR H 1 51 TYR HB2 . . 3.400 2.426 2.268 2.540 . 0 0 "[ . 1 . 2]" 1
805 1 51 TYR H 1 51 TYR HB3 . . 3.540 3.584 3.472 3.616 0.076 16 0 "[ . 1 . 2]" 1
806 1 51 TYR H 1 51 TYR QD . . 3.010 2.990 2.734 3.090 0.080 8 0 "[ . 1 . 2]" 1
807 1 51 TYR H 1 51 TYR QE . . 5.500 5.258 4.993 5.390 . 0 0 "[ . 1 . 2]" 1
808 1 51 TYR H 1 52 LEU H . . 5.500 4.423 4.256 4.562 . 0 0 "[ . 1 . 2]" 1
809 1 51 TYR H 1 64 ALA MB . . 5.410 5.097 4.626 5.492 0.082 20 0 "[ . 1 . 2]" 1
810 1 51 TYR HA 1 51 TYR QD . . 2.840 2.887 2.753 2.946 0.106 12 0 "[ . 1 . 2]" 1
811 1 51 TYR HA 1 52 LEU H . . 3.100 2.182 2.076 2.301 . 0 0 "[ . 1 . 2]" 1
812 1 51 TYR HA 1 52 LEU QD . . 4.860 4.073 3.343 4.300 . 0 0 "[ . 1 . 2]" 1
813 1 51 TYR HA 1 52 LEU HG . . 4.250 3.638 3.515 3.766 . 0 0 "[ . 1 . 2]" 1
814 1 51 TYR HB2 1 52 LEU H . . 4.410 4.228 4.005 4.422 0.012 12 0 "[ . 1 . 2]" 1
815 1 51 TYR HB2 1 64 ALA H . . 5.470 4.382 3.969 5.105 . 0 0 "[ . 1 . 2]" 1
816 1 51 TYR HB2 1 64 ALA MB . . 4.020 3.821 3.283 4.114 0.094 20 0 "[ . 1 . 2]" 1
817 1 51 TYR HB3 1 52 LEU H . . 4.190 3.089 2.725 3.423 . 0 0 "[ . 1 . 2]" 1
818 1 51 TYR HB3 1 52 LEU HG . . 5.370 5.392 5.260 5.468 0.098 9 0 "[ . 1 . 2]" 1
819 1 51 TYR HB3 1 64 ALA MB . . 3.910 2.858 2.333 3.432 . 0 0 "[ . 1 . 2]" 1
820 1 51 TYR QD 1 52 LEU H . . 5.170 4.184 3.614 4.521 . 0 0 "[ . 1 . 2]" 1
821 1 52 LEU H 1 52 LEU HB2 . . 3.950 2.726 2.595 2.876 . 0 0 "[ . 1 . 2]" 1
822 1 52 LEU H 1 52 LEU QD . . 4.620 3.526 3.263 3.710 . 0 0 "[ . 1 . 2]" 1
823 1 52 LEU H 1 52 LEU HG . . 3.890 3.055 2.822 3.324 . 0 0 "[ . 1 . 2]" 1
824 1 52 LEU H 1 64 ALA H . . 5.500 4.091 3.699 4.545 . 0 0 "[ . 1 . 2]" 1
825 1 52 LEU H 1 64 ALA MB . . 4.840 3.644 3.387 4.028 . 0 0 "[ . 1 . 2]" 1
826 1 52 LEU HA 1 52 LEU QD . . 3.380 2.395 2.272 2.522 . 0 0 "[ . 1 . 2]" 1
827 1 52 LEU HA 1 52 LEU HG . . 3.920 3.318 3.191 3.631 . 0 0 "[ . 1 . 2]" 1
828 1 52 LEU HA 1 53 TYR H . . 3.230 2.591 2.489 2.713 . 0 0 "[ . 1 . 2]" 1
829 1 52 LEU HA 1 53 TYR QD . . 4.080 3.427 3.121 3.710 . 0 0 "[ . 1 . 2]" 1
830 1 52 LEU HA 1 61 TYR QB . . 5.500 5.150 4.779 5.584 0.084 9 0 "[ . 1 . 2]" 1
831 1 52 LEU HA 1 62 VAL H . . 5.040 4.605 4.477 5.083 0.043 9 0 "[ . 1 . 2]" 1
832 1 52 LEU HA 1 63 PRO HA . . 3.300 2.174 1.957 2.489 . 0 0 "[ . 1 . 2]" 1
833 1 52 LEU HA 1 63 PRO QB . . 4.670 4.025 3.783 4.281 . 0 0 "[ . 1 . 2]" 1
834 1 52 LEU HA 1 64 ALA H . . 3.340 2.082 1.836 2.299 . 0 0 "[ . 1 . 2]" 1
835 1 52 LEU HA 1 64 ALA MB . . 4.050 2.968 2.481 3.142 . 0 0 "[ . 1 . 2]" 1
836 1 52 LEU HB2 1 53 TYR H . . 4.180 3.270 3.125 3.510 . 0 0 "[ . 1 . 2]" 1
837 1 52 LEU HB2 1 61 TYR QB . . 3.830 3.713 3.346 3.924 0.094 15 0 "[ . 1 . 2]" 1
838 1 52 LEU HB2 1 61 TYR QD . . 4.770 3.901 2.747 4.739 . 0 0 "[ . 1 . 2]" 1
839 1 52 LEU HB2 1 62 VAL H . . 4.830 4.870 4.661 4.904 0.074 14 0 "[ . 1 . 2]" 1
840 1 52 LEU HB3 1 53 TYR H . . 4.010 2.266 2.145 2.499 . 0 0 "[ . 1 . 2]" 1
841 1 52 LEU HB3 1 61 TYR HA . . 4.780 4.216 3.967 4.679 . 0 0 "[ . 1 . 2]" 1
842 1 52 LEU HB3 1 61 TYR QB . . 3.490 2.908 2.546 3.308 . 0 0 "[ . 1 . 2]" 1
843 1 52 LEU HB3 1 61 TYR QD . . 4.570 3.823 2.721 4.523 . 0 0 "[ . 1 . 2]" 1
844 1 52 LEU HB3 1 62 VAL H . . 4.710 3.343 3.159 3.513 . 0 0 "[ . 1 . 2]" 1
845 1 52 LEU QD 1 53 TYR H . . 4.240 3.540 3.442 3.620 . 0 0 "[ . 1 . 2]" 1
846 1 52 LEU QD 1 61 TYR QB . . 4.050 2.397 2.174 2.905 . 0 0 "[ . 1 . 2]" 1
847 1 52 LEU QD 1 61 TYR QD . . 5.500 3.648 2.698 4.424 . 0 0 "[ . 1 . 2]" 1
848 1 52 LEU QD 1 62 VAL H . . 4.530 3.800 3.650 3.901 . 0 0 "[ . 1 . 2]" 1
849 1 52 LEU QD 1 63 PRO HA . . 3.030 1.966 1.833 2.031 . 0 0 "[ . 1 . 2]" 1
850 1 52 LEU QD 1 63 PRO QB . . 3.820 2.600 2.315 2.730 . 0 0 "[ . 1 . 2]" 1
851 1 52 LEU QD 1 63 PRO HD2 . . 4.610 4.311 4.006 4.586 . 0 0 "[ . 1 . 2]" 1
852 1 52 LEU QD 1 63 PRO HD3 . . 3.930 3.268 2.941 3.647 . 0 0 "[ . 1 . 2]" 1
853 1 52 LEU QD 1 63 PRO HG2 . . 4.800 4.644 4.331 4.753 . 0 0 "[ . 1 . 2]" 1
854 1 52 LEU QD 1 63 PRO HG3 . . 4.270 4.216 3.975 4.300 0.030 15 0 "[ . 1 . 2]" 1
855 1 52 LEU QD 1 64 ALA H . . 3.900 3.215 2.318 3.482 . 0 0 "[ . 1 . 2]" 1
856 1 52 LEU QD 1 64 ALA MB . . 5.380 4.267 3.517 4.452 . 0 0 "[ . 1 . 2]" 1
857 1 52 LEU HG 1 63 PRO HA . . 4.220 4.157 3.909 4.268 0.048 6 0 "[ . 1 . 2]" 1
858 1 53 TYR H 1 53 TYR QD . . 3.140 2.615 2.426 2.804 . 0 0 "[ . 1 . 2]" 1
859 1 53 TYR H 1 54 TRP H . . 5.150 4.314 4.237 4.370 . 0 0 "[ . 1 . 2]" 1
860 1 53 TYR H 1 61 TYR HA . . 4.840 4.086 3.894 4.383 . 0 0 "[ . 1 . 2]" 1
861 1 53 TYR H 1 61 TYR QB . . 5.330 4.063 3.740 4.433 . 0 0 "[ . 1 . 2]" 1
862 1 53 TYR H 1 62 VAL H . . 3.850 2.683 2.535 2.871 . 0 0 "[ . 1 . 2]" 1
863 1 53 TYR H 1 62 VAL HA . . 5.500 4.700 4.593 4.865 . 0 0 "[ . 1 . 2]" 1
864 1 53 TYR H 1 62 VAL HB . . 4.980 4.738 4.533 4.921 . 0 0 "[ . 1 . 2]" 1
865 1 53 TYR H 1 62 VAL MG1 . . 5.500 5.347 5.251 5.484 . 0 0 "[ . 1 . 2]" 1
866 1 53 TYR H 1 62 VAL MG2 . . 4.490 3.399 3.015 3.770 . 0 0 "[ . 1 . 2]" 1
867 1 53 TYR H 1 63 PRO HA . . 4.950 3.961 3.763 4.214 . 0 0 "[ . 1 . 2]" 1
868 1 53 TYR H 1 64 ALA H . . 4.730 4.064 3.795 4.298 . 0 0 "[ . 1 . 2]" 1
869 1 53 TYR H 1 64 ALA MB . . 4.660 3.387 2.989 3.695 . 0 0 "[ . 1 . 2]" 1
870 1 53 TYR HA 1 53 TYR QD . . 4.530 3.784 3.755 3.836 . 0 0 "[ . 1 . 2]" 1
871 1 53 TYR HA 1 54 TRP H . . 3.250 2.337 2.240 2.652 . 0 0 "[ . 1 . 2]" 1
872 1 53 TYR HA 1 62 VAL MG2 . . 5.500 5.002 4.657 5.325 . 0 0 "[ . 1 . 2]" 1
873 1 53 TYR HB2 1 54 TRP H . . 3.760 2.655 2.142 2.876 . 0 0 "[ . 1 . 2]" 1
874 1 53 TYR HB2 1 62 VAL MG2 . . 5.320 4.546 4.211 4.904 . 0 0 "[ . 1 . 2]" 1
875 1 53 TYR HB2 1 64 ALA MB . . 5.500 3.884 3.588 4.642 . 0 0 "[ . 1 . 2]" 1
876 1 53 TYR HB3 1 54 TRP H . . 4.430 3.929 3.623 4.094 . 0 0 "[ . 1 . 2]" 1
877 1 53 TYR HB3 1 62 VAL MG2 . . 5.050 4.722 4.367 5.060 0.010 9 0 "[ . 1 . 2]" 1
878 1 53 TYR HB3 1 64 ALA MB . . 4.970 2.366 2.085 3.150 . 0 0 "[ . 1 . 2]" 1
879 1 53 TYR QD 1 54 TRP H . . 3.920 3.706 3.234 3.988 0.068 8 0 "[ . 1 . 2]" 1
880 1 53 TYR QD 1 55 ASP HB2 . . 3.670 3.289 2.827 4.405 0.735 9 1 "[ . +1 . 2]" 1
881 1 53 TYR QD 1 62 VAL HB . . 4.850 4.036 3.892 4.415 . 0 0 "[ . 1 . 2]" 1
882 1 53 TYR QD 1 62 VAL MG1 . . 5.500 5.071 4.943 5.264 . 0 0 "[ . 1 . 2]" 1
883 1 53 TYR QD 1 62 VAL MG2 . . 3.330 3.072 2.890 3.321 . 0 0 "[ . 1 . 2]" 1
884 1 53 TYR QD 1 64 ALA HA . . 2.690 2.649 2.362 2.778 0.088 13 0 "[ . 1 . 2]" 1
885 1 53 TYR QD 1 64 ALA MB . . 2.950 2.120 2.014 2.282 . 0 0 "[ . 1 . 2]" 1
886 1 53 TYR QD 1 65 LEU H . . 5.500 4.911 4.663 5.164 . 0 0 "[ . 1 . 2]" 1
887 1 53 TYR QE 1 55 ASP H . . 5.500 5.162 4.583 5.559 0.059 2 0 "[ . 1 . 2]" 1
888 1 53 TYR QE 1 55 ASP HA . . 4.410 3.737 2.807 4.505 0.095 11 0 "[ . 1 . 2]" 1
889 1 53 TYR QE 1 55 ASP HB2 . . 3.110 2.609 2.304 3.665 0.555 9 1 "[ . +1 . 2]" 1
890 1 53 TYR QE 1 55 ASP HB3 . . 4.150 3.989 2.318 4.225 0.075 16 0 "[ . 1 . 2]" 1
891 1 53 TYR QE 1 62 VAL H . . 5.500 4.613 4.329 4.978 . 0 0 "[ . 1 . 2]" 1
892 1 53 TYR QE 1 62 VAL HB . . 4.660 2.764 2.487 2.953 . 0 0 "[ . 1 . 2]" 1
893 1 53 TYR QE 1 62 VAL MG1 . . 4.010 4.105 3.948 4.131 0.121 9 0 "[ . 1 . 2]" 1
894 1 53 TYR QE 1 62 VAL MG2 . . 3.190 2.698 2.441 2.763 . 0 0 "[ . 1 . 2]" 1
895 1 53 TYR QE 1 64 ALA HA . . 4.040 3.049 2.614 3.531 . 0 0 "[ . 1 . 2]" 1
896 1 53 TYR QE 1 64 ALA MB . . 3.770 3.858 3.659 3.896 0.126 4 0 "[ . 1 . 2]" 1
897 1 53 TYR QE 1 65 LEU H . . 5.230 4.957 3.723 5.325 0.095 12 0 "[ . 1 . 2]" 1
898 1 54 TRP H 1 54 TRP HB2 . . 3.480 2.948 2.780 3.320 . 0 0 "[ . 1 . 2]" 1
899 1 54 TRP H 1 54 TRP HB3 . . 3.350 2.338 2.179 2.490 . 0 0 "[ . 1 . 2]" 1
900 1 54 TRP H 1 55 ASP H . . 5.500 4.442 4.127 4.565 . 0 0 "[ . 1 . 2]" 1
901 1 54 TRP H 1 61 TYR HA . . 5.500 4.927 4.689 5.278 . 0 0 "[ . 1 . 2]" 1
902 1 54 TRP H 1 61 TYR QD . . 5.500 4.213 3.676 4.944 . 0 0 "[ . 1 . 2]" 1
903 1 54 TRP HA 1 54 TRP HE3 . . 3.810 2.492 2.143 3.104 . 0 0 "[ . 1 . 2]" 1
904 1 54 TRP HA 1 55 ASP H . . 2.890 2.238 1.985 2.354 . 0 0 "[ . 1 . 2]" 1
905 1 54 TRP HA 1 55 ASP HB3 . . 5.050 4.736 4.239 5.121 0.071 18 0 "[ . 1 . 2]" 1
906 1 54 TRP HA 1 61 TYR HA . . 3.480 2.662 2.369 3.083 . 0 0 "[ . 1 . 2]" 1
907 1 54 TRP HA 1 61 TYR QD . . 3.570 3.101 2.616 3.635 0.065 18 0 "[ . 1 . 2]" 1
908 1 54 TRP HA 1 62 VAL H . . 4.750 3.933 3.535 4.258 . 0 0 "[ . 1 . 2]" 1
909 1 54 TRP HB2 1 54 TRP HD1 . . 3.750 3.623 3.474 3.784 0.034 9 0 "[ . 1 . 2]" 1
910 1 54 TRP HB2 1 55 ASP H . . 4.570 4.270 3.993 4.551 . 0 0 "[ . 1 . 2]" 1
911 1 54 TRP HB2 1 61 TYR QD . . 5.180 3.355 2.717 4.209 . 0 0 "[ . 1 . 2]" 1
912 1 54 TRP HB2 1 61 TYR QE . . 3.250 2.764 2.335 3.327 0.077 11 0 "[ . 1 . 2]" 1
913 1 54 TRP HB3 1 54 TRP HD1 . . 3.040 2.530 2.478 2.610 . 0 0 "[ . 1 . 2]" 1
914 1 54 TRP HB3 1 55 ASP H . . 4.960 4.352 3.973 4.617 . 0 0 "[ . 1 . 2]" 1
915 1 54 TRP HE1 1 56 GLY H . . 5.040 4.060 2.940 4.846 . 0 0 "[ . 1 . 2]" 1
916 1 54 TRP HE1 1 56 GLY HA2 . . 3.680 3.574 2.730 3.909 0.229 13 0 "[ . 1 . 2]" 1
917 1 54 TRP HE1 1 56 GLY HA3 . . 3.840 3.448 2.550 3.906 0.066 11 0 "[ . 1 . 2]" 1
918 1 54 TRP HE3 1 55 ASP H . . 4.860 3.368 2.697 3.832 . 0 0 "[ . 1 . 2]" 1
919 1 54 TRP HH2 1 59 ARG H . . 5.500 4.978 4.665 5.302 . 0 0 "[ . 1 . 2]" 1
920 1 54 TRP HH2 1 59 ARG HA . . 3.270 2.747 2.450 3.065 . 0 0 "[ . 1 . 2]" 1
921 1 54 TRP HH2 1 59 ARG HB2 . . 4.530 4.158 3.834 4.578 0.048 4 0 "[ . 1 . 2]" 1
922 1 54 TRP HH2 1 59 ARG HB3 . . 3.160 2.552 2.220 3.043 . 0 0 "[ . 1 . 2]" 1
923 1 54 TRP HH2 1 59 ARG QD . . 4.980 4.487 3.299 5.067 0.087 10 0 "[ . 1 . 2]" 1
924 1 54 TRP HH2 1 59 ARG QG . . 3.640 3.518 2.953 3.718 0.078 2 0 "[ . 1 . 2]" 1
925 1 54 TRP HZ2 1 56 GLY HA2 . . 4.380 3.180 2.406 3.819 . 0 0 "[ . 1 . 2]" 1
926 1 54 TRP HZ2 1 59 ARG H . . 5.460 5.019 4.647 5.324 . 0 0 "[ . 1 . 2]" 1
927 1 54 TRP HZ2 1 59 ARG HA . . 3.600 3.183 2.839 3.546 . 0 0 "[ . 1 . 2]" 1
928 1 54 TRP HZ2 1 59 ARG HB3 . . 5.400 3.840 3.396 4.250 . 0 0 "[ . 1 . 2]" 1
929 1 54 TRP HZ2 1 59 ARG QG . . 3.170 3.071 2.428 3.259 0.089 8 0 "[ . 1 . 2]" 1
930 1 54 TRP HZ2 1 60 THR H . . 5.500 5.152 4.731 5.566 0.066 12 0 "[ . 1 . 2]" 1
931 1 54 TRP HZ3 1 60 THR HA . . 3.730 2.632 2.365 2.957 . 0 0 "[ . 1 . 2]" 1
932 1 54 TRP HZ3 1 61 TYR H . . 4.380 4.126 3.252 4.457 0.077 9 0 "[ . 1 . 2]" 1
933 1 54 TRP HZ3 1 61 TYR HA . . 5.500 4.832 4.500 5.129 . 0 0 "[ . 1 . 2]" 1
934 1 55 ASP H 1 55 ASP HB2 . . 3.590 3.079 2.682 3.448 . 0 0 "[ . 1 . 2]" 1
935 1 55 ASP H 1 55 ASP HB3 . . 3.360 2.750 2.385 3.093 . 0 0 "[ . 1 . 2]" 1
936 1 55 ASP H 1 56 GLY H . . 5.500 3.942 3.483 4.285 . 0 0 "[ . 1 . 2]" 1
937 1 55 ASP H 1 57 GLU H . . 5.150 5.151 4.758 5.227 0.077 15 0 "[ . 1 . 2]" 1
938 1 55 ASP H 1 59 ARG H . . 5.170 4.876 4.494 5.208 0.038 17 0 "[ . 1 . 2]" 1
939 1 55 ASP H 1 60 THR H . . 4.070 3.130 2.931 3.473 . 0 0 "[ . 1 . 2]" 1
940 1 55 ASP H 1 60 THR MG . . 5.130 4.082 3.634 4.543 . 0 0 "[ . 1 . 2]" 1
941 1 55 ASP H 1 61 TYR H . . 5.500 5.085 4.847 5.484 . 0 0 "[ . 1 . 2]" 1
942 1 55 ASP H 1 61 TYR HA . . 4.050 3.363 2.989 4.112 0.062 11 0 "[ . 1 . 2]" 1
943 1 55 ASP H 1 62 VAL H . . 5.420 4.312 3.631 4.999 . 0 0 "[ . 1 . 2]" 1
944 1 55 ASP H 1 62 VAL MG2 . . 4.490 3.365 2.794 3.833 . 0 0 "[ . 1 . 2]" 1
945 1 55 ASP HA 1 56 GLY H . . 2.950 2.200 2.014 2.401 . 0 0 "[ . 1 . 2]" 1
946 1 55 ASP HA 1 56 GLY HA2 . . 4.420 4.478 4.339 4.586 0.166 13 0 "[ . 1 . 2]" 1
947 1 55 ASP HA 1 56 GLY HA3 . . 4.530 4.386 4.230 4.483 . 0 0 "[ . 1 . 2]" 1
948 1 55 ASP HA 1 57 GLU H . . 4.380 3.417 3.152 4.012 . 0 0 "[ . 1 . 2]" 1
949 1 55 ASP HA 1 60 THR H . . 5.500 5.074 4.808 5.493 . 0 0 "[ . 1 . 2]" 1
950 1 55 ASP HB2 1 56 GLY H . . 5.070 4.460 4.070 4.611 . 0 0 "[ . 1 . 2]" 1
951 1 55 ASP HB2 1 57 GLU H . . 4.670 4.561 3.204 4.760 0.090 18 0 "[ . 1 . 2]" 1
952 1 55 ASP HB2 1 58 ARG HB2 . . 4.890 4.485 3.633 4.952 0.062 20 0 "[ . 1 . 2]" 1
953 1 55 ASP HB2 1 60 THR H . . 5.240 4.923 4.383 5.290 0.050 15 0 "[ . 1 . 2]" 1
954 1 55 ASP HB2 1 60 THR MG . . 4.800 4.428 3.766 4.906 0.106 11 0 "[ . 1 . 2]" 1
955 1 55 ASP HB2 1 62 VAL MG1 . . 5.500 4.448 3.925 5.548 0.048 9 0 "[ . 1 . 2]" 1
956 1 55 ASP HB2 1 62 VAL MG2 . . 3.440 2.431 2.095 3.679 0.239 9 0 "[ . 1 . 2]" 1
957 1 55 ASP HB3 1 58 ARG H . . 4.740 3.560 2.983 5.064 0.324 9 0 "[ . 1 . 2]" 1
958 1 55 ASP HB3 1 58 ARG HB2 . . 4.040 3.066 2.331 4.962 0.922 9 1 "[ . +1 . 2]" 1
959 1 55 ASP HB3 1 59 ARG H . . 5.180 4.381 3.809 5.767 0.587 9 1 "[ . +1 . 2]" 1
960 1 55 ASP HB3 1 60 THR H . . 4.310 3.552 3.034 5.007 0.697 9 1 "[ . +1 . 2]" 1
961 1 55 ASP HB3 1 60 THR MG . . 3.860 3.290 2.393 4.353 0.493 9 0 "[ . 1 . 2]" 1
962 1 55 ASP HB3 1 62 VAL MG2 . . 3.570 2.584 2.235 3.329 . 0 0 "[ . 1 . 2]" 1
963 1 56 GLY H 1 57 GLU H . . 3.540 2.802 2.296 3.039 . 0 0 "[ . 1 . 2]" 1
964 1 56 GLY H 1 58 ARG H . . 5.500 4.543 4.178 5.210 . 0 0 "[ . 1 . 2]" 1
965 1 56 GLY H 1 59 ARG QG . . 5.500 5.444 5.011 5.596 0.096 13 0 "[ . 1 . 2]" 1
966 1 56 GLY HA2 1 59 ARG H . . 4.390 2.869 2.535 3.204 . 0 0 "[ . 1 . 2]" 1
967 1 56 GLY HA2 1 59 ARG HA . . 4.600 2.658 2.201 2.902 . 0 0 "[ . 1 . 2]" 1
968 1 56 GLY HA2 1 59 ARG QG . . 4.830 2.927 2.486 3.160 . 0 0 "[ . 1 . 2]" 1
969 1 56 GLY HA3 1 59 ARG H . . 4.260 4.244 3.947 4.460 0.200 7 0 "[ . 1 . 2]" 1
970 1 56 GLY HA3 1 59 ARG QG . . 4.780 4.061 3.650 4.295 . 0 0 "[ . 1 . 2]" 1
971 1 57 GLU H 1 57 GLU QB . . 2.810 2.531 2.298 2.885 0.075 18 0 "[ . 1 . 2]" 1
972 1 57 GLU H 1 57 GLU HG2 . . 4.110 2.978 1.982 4.132 0.022 16 0 "[ . 1 . 2]" 1
973 1 57 GLU H 1 57 GLU HG3 . . 4.020 2.680 2.185 3.688 . 0 0 "[ . 1 . 2]" 1
974 1 57 GLU H 1 58 ARG H . . 2.970 2.409 2.206 2.584 . 0 0 "[ . 1 . 2]" 1
975 1 57 GLU H 1 58 ARG HA . . 5.390 5.134 5.004 5.285 . 0 0 "[ . 1 . 2]" 1
976 1 57 GLU H 1 58 ARG HB2 . . 5.030 4.465 4.244 4.730 . 0 0 "[ . 1 . 2]" 1
977 1 57 GLU H 1 58 ARG QD . . 5.500 5.358 4.560 5.589 0.089 20 0 "[ . 1 . 2]" 1
978 1 57 GLU H 1 58 ARG HG3 . . 4.460 4.462 4.153 4.545 0.085 9 0 "[ . 1 . 2]" 1
979 1 57 GLU H 1 59 ARG H . . 4.200 3.471 2.976 3.712 . 0 0 "[ . 1 . 2]" 1
980 1 57 GLU H 1 59 ARG HA . . 5.500 5.079 4.471 5.426 . 0 0 "[ . 1 . 2]" 1
981 1 57 GLU HA 1 57 GLU QB . . 2.660 2.320 2.125 2.458 . 0 0 "[ . 1 . 2]" 1
982 1 57 GLU HA 1 57 GLU HG3 . . 3.790 3.489 2.775 3.867 0.077 6 0 "[ . 1 . 2]" 1
983 1 57 GLU HA 1 59 ARG H . . 5.500 4.314 4.009 4.748 . 0 0 "[ . 1 . 2]" 1
984 1 57 GLU HA 1 59 ARG QG . . 5.500 4.722 4.073 5.218 . 0 0 "[ . 1 . 2]" 1
985 1 57 GLU QB 1 58 ARG H . . 3.360 2.635 1.998 3.052 . 0 0 "[ . 1 . 2]" 1
986 1 57 GLU QB 1 58 ARG HA . . 4.460 4.107 3.915 4.232 . 0 0 "[ . 1 . 2]" 1
987 1 57 GLU QB 1 59 ARG H . . 4.490 4.460 4.023 4.587 0.097 17 0 "[ . 1 . 2]" 1
988 1 57 GLU HG2 1 58 ARG H . . 4.920 4.523 3.205 4.987 0.067 12 0 "[ . 1 . 2]" 1
989 1 57 GLU HG3 1 58 ARG H . . 4.870 4.111 1.657 4.856 . 0 0 "[ . 1 . 2]" 1
990 1 58 ARG H 1 58 ARG HB2 . . 3.530 2.372 2.286 2.455 . 0 0 "[ . 1 . 2]" 1
991 1 58 ARG H 1 58 ARG HB3 . . 3.790 3.611 3.518 3.679 . 0 0 "[ . 1 . 2]" 1
992 1 58 ARG H 1 58 ARG QD . . 4.290 3.860 2.984 4.287 . 0 0 "[ . 1 . 2]" 1
993 1 58 ARG H 1 58 ARG HG2 . . 3.950 3.864 3.560 4.031 0.081 12 0 "[ . 1 . 2]" 1
994 1 58 ARG H 1 58 ARG HG3 . . 3.680 2.714 2.197 3.023 . 0 0 "[ . 1 . 2]" 1
995 1 58 ARG H 1 59 ARG H . . 3.270 2.244 1.922 2.658 . 0 0 "[ . 1 . 2]" 1
996 1 58 ARG H 1 59 ARG HA . . 4.890 4.379 4.035 4.769 . 0 0 "[ . 1 . 2]" 1
997 1 58 ARG H 1 60 THR H . . 5.500 4.074 3.724 4.425 . 0 0 "[ . 1 . 2]" 1
998 1 58 ARG H 1 60 THR MG . . 5.310 4.139 3.458 4.668 . 0 0 "[ . 1 . 2]" 1
999 1 58 ARG HA 1 58 ARG QD . . 4.140 4.036 3.937 4.123 . 0 0 "[ . 1 . 2]" 1
1000 1 58 ARG HA 1 58 ARG HG2 . . 3.070 2.524 2.265 2.969 . 0 0 "[ . 1 . 2]" 1
1001 1 58 ARG HA 1 58 ARG HG3 . . 3.490 2.976 2.809 3.069 . 0 0 "[ . 1 . 2]" 1
1002 1 58 ARG HB2 1 58 ARG QD . . 3.470 2.393 2.130 2.563 . 0 0 "[ . 1 . 2]" 1
1003 1 58 ARG HB2 1 59 ARG H . . 4.170 3.356 2.891 3.689 . 0 0 "[ . 1 . 2]" 1
1004 1 58 ARG HB2 1 59 ARG HA . . 5.360 5.002 4.634 5.297 . 0 0 "[ . 1 . 2]" 1
1005 1 58 ARG HB2 1 60 THR H . . 4.870 3.563 3.302 4.029 . 0 0 "[ . 1 . 2]" 1
1006 1 58 ARG HB2 1 60 THR MG . . 3.220 2.357 2.085 3.230 0.010 12 0 "[ . 1 . 2]" 1
1007 1 58 ARG HB3 1 58 ARG QD . . 3.610 2.389 2.225 2.667 . 0 0 "[ . 1 . 2]" 1
1008 1 58 ARG HB3 1 59 ARG H . . 4.570 4.128 3.812 4.358 . 0 0 "[ . 1 . 2]" 1
1009 1 58 ARG HB3 1 60 THR H . . 5.500 4.355 4.082 4.922 . 0 0 "[ . 1 . 2]" 1
1010 1 58 ARG HB3 1 60 THR MG . . 3.470 2.462 2.237 2.829 . 0 0 "[ . 1 . 2]" 1
1011 1 58 ARG QD 1 60 THR MG . . 4.000 3.008 2.576 3.934 . 0 0 "[ . 1 . 2]" 1
1012 1 58 ARG QD 1 62 VAL MG1 . . 4.640 3.304 2.705 3.855 . 0 0 "[ . 1 . 2]" 1
1013 1 58 ARG QD 1 62 VAL MG2 . . 4.330 3.659 2.456 4.271 . 0 0 "[ . 1 . 2]" 1
1014 1 59 ARG H 1 59 ARG QD . . 5.000 4.218 2.291 4.975 . 0 0 "[ . 1 . 2]" 1
1015 1 59 ARG H 1 59 ARG QG . . 3.730 2.819 2.520 3.295 . 0 0 "[ . 1 . 2]" 1
1016 1 59 ARG H 1 60 THR H . . 3.580 2.920 2.721 3.081 . 0 0 "[ . 1 . 2]" 1
1017 1 59 ARG H 1 60 THR MG . . 5.500 4.077 3.800 4.406 . 0 0 "[ . 1 . 2]" 1
1018 1 59 ARG HA 1 59 ARG HE . . 5.500 5.050 4.136 5.571 0.071 9 0 "[ . 1 . 2]" 1
1019 1 59 ARG HA 1 59 ARG QG . . 3.670 2.409 2.288 2.498 . 0 0 "[ . 1 . 2]" 1
1020 1 59 ARG HA 1 60 THR MG . . 4.960 4.586 4.277 4.781 . 0 0 "[ . 1 . 2]" 1
1021 1 59 ARG HB2 1 59 ARG QD . . 3.490 2.388 2.175 2.728 . 0 0 "[ . 1 . 2]" 1
1022 1 59 ARG HB3 1 60 THR H . . 5.140 4.420 4.342 4.502 . 0 0 "[ . 1 . 2]" 1
1023 1 59 ARG QG 1 59 ARG HH22 . . 5.500 5.021 4.199 5.553 0.053 1 0 "[ . 1 . 2]" 1
1024 1 59 ARG QG 1 60 THR H . . 5.120 4.574 4.403 4.807 . 0 0 "[ . 1 . 2]" 1
1025 1 60 THR H 1 60 THR MG . . 3.780 2.597 2.421 2.719 . 0 0 "[ . 1 . 2]" 1
1026 1 60 THR H 1 61 TYR H . . 5.500 4.315 4.211 4.379 . 0 0 "[ . 1 . 2]" 1
1027 1 60 THR HA 1 61 TYR H . . 3.380 2.542 2.337 2.700 . 0 0 "[ . 1 . 2]" 1
1028 1 60 THR HA 1 61 TYR QB . . 4.740 4.591 4.424 4.723 . 0 0 "[ . 1 . 2]" 1
1029 1 60 THR HB 1 61 TYR H . . 4.250 3.829 3.647 4.067 . 0 0 "[ . 1 . 2]" 1
1030 1 60 THR MG 1 61 TYR H . . 3.880 3.048 2.685 3.817 . 0 0 "[ . 1 . 2]" 1
1031 1 60 THR MG 1 62 VAL HA . . 4.590 4.122 3.876 4.310 . 0 0 "[ . 1 . 2]" 1
1032 1 61 TYR H 1 61 TYR QB . . 3.530 2.526 2.298 2.753 . 0 0 "[ . 1 . 2]" 1
1033 1 61 TYR H 1 61 TYR QD . . 3.030 2.825 2.394 3.099 0.069 7 0 "[ . 1 . 2]" 1
1034 1 61 TYR H 1 61 TYR QE . . 5.500 4.880 4.334 5.276 . 0 0 "[ . 1 . 2]" 1
1035 1 61 TYR H 1 62 VAL H . . 5.120 4.385 4.254 4.494 . 0 0 "[ . 1 . 2]" 1
1036 1 61 TYR HA 1 61 TYR QD . . 3.420 2.909 2.494 3.209 . 0 0 "[ . 1 . 2]" 1
1037 1 61 TYR HA 1 62 VAL H . . 2.880 2.161 2.109 2.198 . 0 0 "[ . 1 . 2]" 1
1038 1 61 TYR HA 1 62 VAL HB . . 5.440 5.490 5.408 5.525 0.085 11 0 "[ . 1 . 2]" 1
1039 1 61 TYR HA 1 62 VAL MG2 . . 4.260 3.178 3.014 3.279 . 0 0 "[ . 1 . 2]" 1
1040 1 61 TYR QB 1 62 VAL H . . 4.010 3.123 2.881 3.424 . 0 0 "[ . 1 . 2]" 1
1041 1 61 TYR QD 1 62 VAL H . . 5.430 4.125 3.525 4.705 . 0 0 "[ . 1 . 2]" 1
1042 1 62 VAL H 1 62 VAL HB . . 3.530 3.564 3.520 3.598 0.068 9 0 "[ . 1 . 2]" 1
1043 1 62 VAL H 1 62 VAL MG1 . . 4.290 3.504 3.418 3.619 . 0 0 "[ . 1 . 2]" 1
1044 1 62 VAL H 1 62 VAL MG2 . . 3.390 2.127 2.004 2.195 . 0 0 "[ . 1 . 2]" 1
1045 1 62 VAL H 1 63 PRO HD2 . . 5.500 4.932 4.846 5.032 . 0 0 "[ . 1 . 2]" 1
1046 1 62 VAL H 1 63 PRO HD3 . . 5.500 4.957 4.828 5.068 . 0 0 "[ . 1 . 2]" 1
1047 1 62 VAL HA 1 62 VAL MG1 . . 3.210 2.181 2.112 2.221 . 0 0 "[ . 1 . 2]" 1
1048 1 62 VAL HA 1 62 VAL MG2 . . 3.340 3.193 3.132 3.231 . 0 0 "[ . 1 . 2]" 1
1049 1 62 VAL HA 1 63 PRO HD2 . . 3.070 2.583 2.420 2.758 . 0 0 "[ . 1 . 2]" 1
1050 1 62 VAL HA 1 63 PRO HD3 . . 2.800 2.359 2.198 2.446 . 0 0 "[ . 1 . 2]" 1
1051 1 62 VAL HA 1 63 PRO HG2 . . 4.690 4.679 4.580 4.750 0.060 13 0 "[ . 1 . 2]" 1
1052 1 62 VAL HA 1 63 PRO HG3 . . 4.590 4.601 4.495 4.654 0.064 10 0 "[ . 1 . 2]" 1
1053 1 62 VAL HB 1 63 PRO HD2 . . 3.920 2.477 2.310 2.626 . 0 0 "[ . 1 . 2]" 1
1054 1 62 VAL HB 1 63 PRO HD3 . . 4.090 3.767 3.538 3.939 . 0 0 "[ . 1 . 2]" 1
1055 1 62 VAL HB 1 63 PRO HG2 . . 5.110 4.203 4.038 4.563 . 0 0 "[ . 1 . 2]" 1
1056 1 62 VAL MG1 1 63 PRO HD2 . . 3.390 2.462 2.293 2.856 . 0 0 "[ . 1 . 2]" 1
1057 1 62 VAL MG1 1 63 PRO HD3 . . 3.790 3.257 2.697 3.497 . 0 0 "[ . 1 . 2]" 1
1058 1 62 VAL MG1 1 63 PRO HG2 . . 5.000 4.448 4.297 4.856 . 0 0 "[ . 1 . 2]" 1
1059 1 62 VAL MG1 1 63 PRO HG3 . . 5.190 4.691 4.319 4.990 . 0 0 "[ . 1 . 2]" 1
1060 1 62 VAL MG2 1 63 PRO HD2 . . 4.410 4.077 3.979 4.210 . 0 0 "[ . 1 . 2]" 1
1061 1 62 VAL MG2 1 63 PRO HD3 . . 4.800 4.809 4.612 4.885 0.085 7 0 "[ . 1 . 2]" 1
1062 1 63 PRO HA 1 64 ALA H . . 2.940 2.189 2.131 2.275 . 0 0 "[ . 1 . 2]" 1
1063 1 63 PRO HA 1 65 LEU H . . 4.510 3.941 3.561 4.564 0.054 7 0 "[ . 1 . 2]" 1
1064 1 63 PRO QB 1 64 ALA H . . 4.150 3.283 3.052 3.490 . 0 0 "[ . 1 . 2]" 1
1065 1 63 PRO QB 1 64 ALA HA . . 4.800 4.591 4.384 4.667 . 0 0 "[ . 1 . 2]" 1
1066 1 63 PRO QB 1 64 ALA MB . . 5.080 4.714 4.549 4.815 . 0 0 "[ . 1 . 2]" 1
1067 1 63 PRO QB 1 65 LEU H . . 3.380 2.836 2.521 3.320 . 0 0 "[ . 1 . 2]" 1
1068 1 63 PRO QB 1 65 LEU QD . . 4.090 2.390 1.922 3.843 . 0 0 "[ . 1 . 2]" 1
1069 1 64 ALA H 1 64 ALA MB . . 3.070 2.343 2.199 2.499 . 0 0 "[ . 1 . 2]" 1
1070 1 64 ALA H 1 65 LEU H . . 4.280 2.870 2.511 3.516 . 0 0 "[ . 1 . 2]" 1
1071 1 64 ALA H 1 65 LEU HA . . 5.500 4.781 4.382 5.216 . 0 0 "[ . 1 . 2]" 1
1072 1 64 ALA HA 1 65 LEU H . . 2.870 2.874 2.492 2.969 0.099 11 0 "[ . 1 . 2]" 1
1073 1 64 ALA MB 1 65 LEU H . . 3.730 3.582 3.262 3.765 0.035 7 0 "[ . 1 . 2]" 1
1074 1 64 ALA MB 1 65 LEU HA . . 4.370 4.252 4.010 4.458 0.088 15 0 "[ . 1 . 2]" 1
1075 1 64 ALA MB 1 65 LEU QD . . 4.290 3.685 2.088 4.323 0.033 13 0 "[ . 1 . 2]" 1
1076 1 64 ALA MB 1 67 GLN QB . . 5.380 4.184 2.676 5.267 . 0 0 "[ . 1 . 2]" 1
1077 1 64 ALA MB 1 67 GLN QG . . 4.480 3.994 2.808 4.587 0.107 17 0 "[ . 1 . 2]" 1
1078 1 65 LEU H 1 65 LEU HB2 . . 3.220 2.671 2.155 3.752 0.532 17 1 "[ . 1 . + 2]" 1
1079 1 65 LEU H 1 65 LEU HB3 . . 3.680 3.457 2.373 3.744 0.064 16 0 "[ . 1 . 2]" 1
1080 1 65 LEU H 1 65 LEU QD . . 4.090 2.287 1.699 3.435 . 0 0 "[ . 1 . 2]" 1
1081 1 65 LEU H 1 65 LEU HG . . 3.650 3.348 2.072 3.745 0.095 11 0 "[ . 1 . 2]" 1
1082 1 65 LEU HA 1 65 LEU HB3 . . 2.900 2.489 2.169 2.676 . 0 0 "[ . 1 . 2]" 1
1083 1 65 LEU HA 1 65 LEU QD . . 3.240 2.652 2.014 3.222 . 0 0 "[ . 1 . 2]" 1
1084 1 65 LEU HA 1 65 LEU HG . . 4.030 3.086 2.191 4.110 0.080 18 0 "[ . 1 . 2]" 1
1085 1 65 LEU HB2 1 66 GLU QB . . 5.160 4.144 3.091 4.816 . 0 0 "[ . 1 . 2]" 1
1086 1 65 LEU QD 1 75 THR MG . . 4.210 3.395 2.026 4.241 0.031 20 0 "[ . 1 . 2]" 1
1087 1 66 GLU H 1 67 GLN H . . 4.080 2.848 2.107 4.172 0.092 1 0 "[ . 1 . 2]" 1
1088 1 66 GLU QB 1 67 GLN H . . 3.110 2.686 2.034 3.087 . 0 0 "[ . 1 . 2]" 1
1089 1 67 GLN H 1 67 GLN HA . . 2.770 2.369 2.155 2.851 0.081 1 0 "[ . 1 . 2]" 1
1090 1 67 GLN H 1 67 GLN QG . . 3.710 3.487 2.491 3.822 0.112 1 0 "[ . 1 . 2]" 1
1091 1 67 GLN HA 1 67 GLN QG . . 3.400 2.601 2.131 3.442 0.042 3 0 "[ . 1 . 2]" 1
1092 1 67 GLN HA 1 68 SER H . . 3.120 2.767 2.087 3.202 0.082 3 0 "[ . 1 . 2]" 1
1093 1 67 GLN QB 1 68 SER H . . 4.600 3.637 2.143 4.104 . 0 0 "[ . 1 . 2]" 1
1094 1 68 SER H 1 69 ALA H . . 3.940 3.156 1.743 4.016 0.076 2 0 "[ . 1 . 2]" 1
1095 1 68 SER HA 1 69 ALA H . . 3.250 2.579 2.025 3.325 0.075 6 0 "[ . 1 . 2]" 1
1096 1 68 SER HB3 1 69 ALA H . . 4.130 4.050 3.652 4.383 0.253 12 0 "[ . 1 . 2]" 1
1097 1 69 ALA HA 1 70 ASP H . . 3.300 2.529 2.222 3.229 . 0 0 "[ . 1 . 2]" 1
1098 1 69 ALA HA 1 70 ASP HA . . 4.560 4.473 4.212 4.638 0.078 9 0 "[ . 1 . 2]" 1
1099 1 69 ALA MB 1 70 ASP H . . 4.240 2.986 1.939 3.750 . 0 0 "[ . 1 . 2]" 1
1100 1 69 ALA MB 1 70 ASP QB . . 5.030 4.259 3.119 5.136 0.106 16 0 "[ . 1 . 2]" 1
1101 1 69 ALA MB 1 71 GLY H . . 5.500 4.470 2.737 5.588 0.088 16 0 "[ . 1 . 2]" 1
1102 1 70 ASP H 1 70 ASP QB . . 3.290 2.507 2.038 3.020 . 0 0 "[ . 1 . 2]" 1
1103 1 70 ASP H 1 71 GLY QA . . 4.590 4.386 3.662 4.698 0.108 16 0 "[ . 1 . 2]" 1
1104 1 70 ASP HA 1 71 GLY H . . 3.530 3.036 2.114 3.598 0.068 14 0 "[ . 1 . 2]" 1
1105 1 70 ASP QB 1 71 GLY H . . 4.370 3.161 1.907 4.045 . 0 0 "[ . 1 . 2]" 1
1106 1 70 ASP QB 1 71 GLY QA . . 4.260 4.094 3.670 4.365 0.105 17 0 "[ . 1 . 2]" 1
1107 1 71 GLY H 1 73 LYS H . . 4.970 4.280 2.892 5.050 0.080 10 0 "[ . 1 . 2]" 1
1108 1 71 GLY QA 1 73 LYS QB . . 5.150 4.475 3.187 5.228 0.078 8 0 "[ . 1 . 2]" 1
1109 1 71 GLY QA 1 73 LYS QE . . 4.700 3.844 2.444 4.806 0.106 1 0 "[ . 1 . 2]" 1
1110 1 71 GLY QA 1 73 LYS QG . . 4.820 3.619 2.785 4.775 . 0 0 "[ . 1 . 2]" 1
1111 1 72 HIS H 1 72 HIS HB3 . . 4.030 3.497 2.377 4.091 0.061 13 0 "[ . 1 . 2]" 1
1112 1 72 HIS HA 1 72 HIS HD2 . . 3.820 3.221 2.220 3.919 0.099 12 0 "[ . 1 . 2]" 1
1113 1 72 HIS HB2 1 73 LYS QG . . 5.280 4.619 3.150 5.351 0.071 14 0 "[ . 1 . 2]" 1
1114 1 72 HIS HB3 1 73 LYS QG . . 4.990 4.601 3.107 5.381 0.391 10 0 "[ . 1 . 2]" 1
1115 1 73 LYS H 1 73 LYS QB . . 3.520 2.768 2.283 3.397 . 0 0 "[ . 1 . 2]" 1
1116 1 73 LYS HA 1 74 GLU H . . 2.980 2.594 2.139 3.063 0.083 1 0 "[ . 1 . 2]" 1
1117 1 73 LYS QB 1 73 LYS QD . . 3.490 2.211 2.056 2.513 . 0 0 "[ . 1 . 2]" 1
1118 1 73 LYS QG 1 74 GLU H . . 5.490 4.001 3.386 4.632 . 0 0 "[ . 1 . 2]" 1
1119 1 74 GLU H 1 74 GLU QB . . 3.610 2.529 2.078 3.149 . 0 0 "[ . 1 . 2]" 1
1120 1 74 GLU H 1 75 THR H . . 5.240 3.780 2.220 4.558 . 0 0 "[ . 1 . 2]" 1
1121 1 74 GLU H 1 76 GLY H . . 4.750 4.400 3.006 4.846 0.096 17 0 "[ . 1 . 2]" 1
1122 1 74 GLU HA 1 75 THR H . . 3.450 2.762 2.207 3.530 0.080 2 0 "[ . 1 . 2]" 1
1123 1 74 GLU HA 1 75 THR MG . . 5.220 5.122 4.371 5.352 0.132 17 0 "[ . 1 . 2]" 1
1124 1 74 GLU QB 1 75 THR H . . 5.180 2.573 1.863 3.997 . 0 0 "[ . 1 . 2]" 1
1125 1 74 GLU QB 1 75 THR MG . . 5.110 4.753 3.998 5.026 . 0 0 "[ . 1 . 2]" 1
1126 1 74 GLU QB 1 76 GLY H . . 3.510 2.881 1.945 3.521 0.011 16 0 "[ . 1 . 2]" 1
1127 1 75 THR H 1 75 THR MG . . 4.690 3.478 2.701 4.088 . 0 0 "[ . 1 . 2]" 1
1128 1 75 THR H 1 76 GLY H . . 4.390 2.913 1.767 3.861 . 0 0 "[ . 1 . 2]" 1
1129 1 75 THR HA 1 75 THR MG . . 3.660 2.232 2.024 2.526 . 0 0 "[ . 1 . 2]" 1
1130 1 75 THR HA 1 76 GLY H . . 3.470 3.485 3.245 3.554 0.084 14 0 "[ . 1 . 2]" 1
1131 1 75 THR HB 1 76 GLY QA . . 3.640 3.703 3.466 3.751 0.111 10 0 "[ . 1 . 2]" 1
1132 1 75 THR MG 1 76 GLY H . . 5.500 4.060 3.311 4.588 . 0 0 "[ . 1 . 2]" 1
1133 1 76 GLY H 1 77 ALA HA . . 5.400 4.796 4.265 5.480 0.080 15 0 "[ . 1 . 2]" 1
1134 1 76 GLY QA 1 77 ALA HA . . 5.140 4.101 3.894 4.549 . 0 0 "[ . 1 . 2]" 1
1135 1 76 GLY QA 1 77 ALA MB . . 4.900 3.842 3.425 4.192 . 0 0 "[ . 1 . 2]" 1
1136 1 77 ALA HA 1 78 PRO HD2 . . 3.260 2.325 2.063 2.685 . 0 0 "[ . 1 . 2]" 1
1137 1 77 ALA HA 1 78 PRO HD3 . . 3.080 2.703 2.267 3.149 0.069 2 0 "[ . 1 . 2]" 1
1138 1 77 ALA MB 1 78 PRO HD2 . . 3.670 2.887 2.044 3.777 0.107 7 0 "[ . 1 . 2]" 1
1139 1 77 ALA MB 1 78 PRO HD3 . . 4.220 3.763 3.273 4.292 0.072 2 0 "[ . 1 . 2]" 1
1140 1 79 SER HA 1 81 GLU H . . 3.510 3.509 3.037 3.604 0.094 17 0 "[ . 1 . 2]" 1
1141 1 79 SER HA 1 82 GLY H . . 5.430 4.939 3.683 5.508 0.078 16 0 "[ . 1 . 2]" 1
1142 1 79 SER HA 1 83 LYS H . . 5.500 4.549 3.056 5.565 0.065 1 0 "[ . 1 . 2]" 1
1143 1 79 SER HA 1 84 GLU H . . 5.500 3.791 2.603 4.610 . 0 0 "[ . 1 . 2]" 1
1144 1 79 SER HA 1 84 GLU HA . . 2.400 2.423 2.059 2.491 0.091 9 0 "[ . 1 . 2]" 1
1145 1 80 LYS H 1 80 LYS HB2 . . 3.360 2.978 2.326 3.929 0.569 11 1 "[ . 1+ . 2]" 1
1146 1 80 LYS H 1 80 LYS QG . . 4.830 3.702 2.338 4.454 . 0 0 "[ . 1 . 2]" 1
1147 1 80 LYS H 1 81 GLU H . . 4.060 2.276 1.707 3.385 . 0 0 "[ . 1 . 2]" 1
1148 1 80 LYS H 1 82 GLY H . . 4.690 4.310 3.272 4.769 0.079 16 0 "[ . 1 . 2]" 1
1149 1 80 LYS H 1 84 GLU QB . . 5.500 3.562 1.843 5.121 . 0 0 "[ . 1 . 2]" 1
1150 1 80 LYS HA 1 80 LYS QG . . 3.700 2.509 2.077 3.541 . 0 0 "[ . 1 . 2]" 1
1151 1 81 GLU H 1 81 GLU HB3 . . 3.760 3.268 2.561 4.149 0.389 6 0 "[ . 1 . 2]" 1
1152 1 81 GLU H 1 83 LYS H . . 4.160 3.851 2.370 4.245 0.085 5 0 "[ . 1 . 2]" 1
1153 1 81 GLU H 1 84 GLU QB . . 3.790 3.526 2.837 3.798 0.008 10 0 "[ . 1 . 2]" 1
1154 1 81 GLU HA 1 82 GLY H . . 3.360 2.844 2.049 3.443 0.083 1 0 "[ . 1 . 2]" 1
1155 1 81 GLU HB3 1 82 GLY H . . 4.980 4.179 2.719 4.721 . 0 0 "[ . 1 . 2]" 1
1156 1 82 GLY H 1 83 LYS H . . 4.750 2.830 1.679 3.850 . 0 0 "[ . 1 . 2]" 1
1157 1 82 GLY H 1 84 GLU QG . . 3.650 3.444 2.811 3.746 0.096 20 0 "[ . 1 . 2]" 1
1158 1 82 GLY QA 1 83 LYS H . . 3.490 2.730 2.143 3.016 . 0 0 "[ . 1 . 2]" 1
1159 1 82 GLY QA 1 84 GLU H . . 5.320 3.711 2.859 4.693 . 0 0 "[ . 1 . 2]" 1
1160 1 83 LYS H 1 83 LYS HG2 . . 4.620 3.732 2.101 5.169 0.549 16 1 "[ . 1 .+ 2]" 1
1161 1 83 LYS H 1 84 GLU H . . 4.650 2.493 1.927 3.292 . 0 0 "[ . 1 . 2]" 1
1162 1 83 LYS H 1 86 LYS H . . 5.500 5.446 4.886 5.593 0.093 20 0 "[ . 1 . 2]" 1
1163 1 83 LYS HG2 1 84 GLU H . . 5.500 4.937 3.578 6.012 0.512 16 1 "[ . 1 .+ 2]" 1
1164 1 84 GLU H 1 84 GLU QB . . 3.470 2.518 1.908 3.133 . 0 0 "[ . 1 . 2]" 1
1165 1 84 GLU H 1 86 LYS H . . 4.390 4.021 3.528 4.404 0.014 14 0 "[ . 1 . 2]" 1
1166 1 84 GLU HA 1 84 GLU QG . . 3.320 3.303 2.297 3.410 0.090 11 0 "[ . 1 . 2]" 1
1167 1 84 GLU QB 1 84 GLU QG . . 2.410 2.089 1.983 2.133 . 0 0 "[ . 1 . 2]" 1
1168 1 84 GLU QG 1 85 LYS H . . 4.330 2.740 1.661 4.387 0.057 4 0 "[ . 1 . 2]" 1
1169 1 84 GLU QG 1 85 LYS QG . . 4.610 3.651 2.199 4.734 0.124 11 0 "[ . 1 . 2]" 1
1170 1 85 LYS H 1 86 LYS H . . 4.440 2.450 1.603 3.406 . 0 0 "[ . 1 . 2]" 1
1171 1 85 LYS QE 1 86 LYS QG . . 4.820 4.467 2.702 4.931 0.111 12 0 "[ . 1 . 2]" 1
1172 1 85 LYS QG 1 86 LYS H . . 4.980 4.230 2.562 5.035 0.055 16 0 "[ . 1 . 2]" 1
1173 1 89 HIS HA 1 89 HIS HD2 . . 3.940 3.234 2.201 4.015 0.075 5 0 "[ . 1 . 2]" 1
1174 1 89 HIS HB2 1 89 HIS HD2 . . 3.540 3.365 2.677 3.938 0.398 14 0 "[ . 1 . 2]" 1
1175 1 90 LYS H 1 90 LYS QB . . 3.570 2.771 2.184 3.366 . 0 0 "[ . 1 . 2]" 1
1176 1 90 LYS H 1 90 LYS QG . . 4.320 3.676 2.193 4.402 0.082 2 0 "[ . 1 . 2]" 1
1177 1 91 THR HA 1 92 LYS H . . 3.380 2.483 2.183 3.140 . 0 0 "[ . 1 . 2]" 1
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